#DEFINITION	Reference Metabolome for Albizia julibrissin
#IDENTTFIER	RefMeta-Albizia julibrissin.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Albizia julibrissin
#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 Albizia julibrissin was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40359	0.9
69.40777	2.0
71.01256	9.2
72.99185	0.7
73.02826	1.9
80.02531	0.3
81.03320	0.6
83.01252	1.2
83.04889	0.8
85.02832	3.0
87.00766	2.2
89.02328	8.4
93.07030	0.3
95.01250	0.9
97.02840	3.6
97.06427	0.4
98.20580	0.6
99.00782	0.7
101.02329	7.7
104.08290	0.3
109.06473	1.0
111.04446	0.4
111.08041	7.0
113.02342	4.2
115.55923	0.3
119.03391	2.4
125.02357	3.5
125.09574	0.5
127.07537	0.8
131.03383	0.6
137.09618	0.7
143.03362	1.6
147.50398	0.3
151.11183	0.9
153.09111	0.6
153.12759	0.9
161.04462	2.2
163.11156	0.8
165.12761	1.8
166.09340	0.3
167.10721	0.5
169.12256	3.4
171.10196	2.0
171.11424	0.3
177.82191	0.3
179.05522	3.0
179.10747	0.7
181.12199	1.5
183.13838	1.3
193.12274	0.8
197.11778	35.9
198.12093	1.3
199.13347	1.9
209.11783	1.2
211.13330	5.9
212.13577	0.3
221.06641	1.0
221.11850	0.5
223.13339	0.5
227.12817	1.8
235.08253	2.5
247.20618	1.7
253.09184	0.4
263.20154	2.7
265.18103	0.8
273.18591	1.2
287.07697	0.5
291.19675	23.8
292.20114	1.7
305.08838	0.7
309.20721	100.0
310.21097	5.4
323.09802	0.4
327.21741	0.6
333.20682	0.4
347.19876	0.3
351.21844	0.5
379.12390	1.0
397.13516	21.3
398.13864	1.2
415.09042	0.6
415.14590	13.0
416.15002	1.1
601.40979	1.7
665.17773	0.3
689.33801	1.9
707.34924	3.3
708.35675	0.4
999.53961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.554
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	12.1
71.04874	0.3
72.77755	0.3
72.99181	1.0
73.02818	1.7
73.84841	0.2
74.64984	0.2
78.36585	0.2
81.03333	1.1
83.01266	1.3
83.04898	0.8
85.02824	2.9
87.00753	2.6
89.02319	9.8
91.03894	0.3
94.26160	0.2
95.01284	1.1
95.04893	0.4
95.18726	0.2
97.02827	5.7
97.03401	0.5
97.06492	0.5
99.00743	1.0
99.04375	0.3
101.02328	8.3
102.02657	0.3
109.02859	0.6
109.06549	0.3
111.04411	0.3
111.08042	5.7
113.02335	5.5
119.03394	2.3
119.08540	0.4
121.10086	0.3
123.04412	0.3
123.08057	0.6
125.02342	3.8
125.06010	0.3
125.09607	1.1
127.07567	0.4
130.35435	0.2
131.03401	0.5
137.09683	1.4
137.10574	0.4
137.19490	0.2
138.82629	0.3
139.03902	0.3
141.01797	0.3
141.09105	0.3
143.03407	1.5
149.04594	0.3
151.11156	0.7
153.12683	0.6
153.40639	0.3
161.04446	2.5
163.11188	1.5
165.12770	3.2
166.09775	0.4
167.03322	0.2
167.14221	0.3
169.12265	2.3
171.10196	3.7
179.05545	3.8
179.10724	0.4
179.14333	0.7
181.12280	1.4
183.13805	1.1
185.11815	0.6
193.12285	1.2
197.11774	26.7
198.12138	0.8
199.13330	1.6
205.12086	0.3
207.10242	0.3
209.11772	2.0
211.13351	4.5
217.06941	0.3
221.06635	1.4
221.11713	0.4
223.13306	0.7
227.12804	2.8
229.71669	0.3
235.08257	2.7
239.13051	0.4
245.06563	0.4
247.20607	2.9
253.09326	0.8
263.20163	1.4
265.18079	1.1
273.18686	1.7
287.07687	0.8
291.19672	33.6
292.19983	1.9
305.08731	1.2
309.20709	100.0
310.21060	6.7
311.66318	0.3
323.09763	0.9
327.21716	0.4
333.20642	0.7
351.21869	0.4
379.12390	1.7
397.13504	25.1
398.13840	1.1
415.14572	13.8
416.14838	0.7
450.76514	0.3
482.33548	0.3
483.90189	0.3
601.41229	2.0
602.41614	0.4
645.21564	0.3
689.34155	1.8
690.34033	0.4
707.34863	4.0
708.35229	0.5
955.88818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5544
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10921	1.7
71.01261	12.7
71.04898	0.4
72.99184	1.0
73.02816	1.7
75.00768	0.3
80.02570	0.4
81.03342	0.6
83.01266	1.2
83.04920	0.8
84.02059	0.5
85.02827	2.7
87.00767	2.5
89.02322	9.2
93.03365	0.5
95.01282	1.1
95.04919	0.3
96.95911	0.3
97.02247	0.5
97.02840	7.0
97.06480	1.0
99.00751	0.7
101.02328	8.3
109.06474	0.9
110.09807	0.3
111.04414	0.6
111.08041	3.5
113.02337	5.4
119.03420	2.4
119.08542	0.5
123.04392	0.3
123.08067	0.5
125.02345	3.1
125.09598	1.1
127.03914	0.4
127.07583	0.4
129.68648	0.3
137.09625	1.6
141.01857	0.4
143.03419	1.3
149.09592	0.3
153.12796	0.4
161.04477	1.8
163.11227	1.7
165.09140	0.3
165.12785	3.7
166.09897	0.3
169.05106	0.3
169.12251	1.5
171.10194	5.3
179.05559	3.0
179.14366	0.6
181.12282	1.8
183.13828	1.2
185.11775	0.6
191.14383	0.3
193.12268	1.4
193.15900	0.8
195.13853	0.4
197.11780	13.6
198.12189	0.6
199.13365	0.9
207.10249	0.7
209.11819	2.0
211.13362	5.4
221.06718	1.5
223.13396	1.0
225.11310	0.4
227.12822	3.3
235.08238	2.9
239.12833	0.3
247.20670	3.8
253.09343	0.8
263.20099	1.0
265.18152	0.4
273.18665	1.5
284.71786	0.3
287.07687	0.5
289.18088	0.7
291.19684	37.3
292.19992	2.7
293.21277	2.9
305.08798	1.1
309.20728	100.0
310.21069	7.4
311.22235	0.5
323.09891	0.6
325.20184	2.0
333.20679	0.7
351.21756	0.8
379.12482	1.4
397.13538	23.7
398.13913	1.6
415.14618	13.0
416.14764	1.0
434.53647	0.3
601.41113	2.3
689.34326	1.7
690.34399	0.4
707.35065	3.5
858.26813	0.4
999.55499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	12.3
72.99180	1.0
73.02826	2.1
75.00751	0.5
78.95790	1.1
83.01249	1.2
85.02827	2.8
87.00758	3.1
89.02321	10.8
95.01272	1.7
96.95899	3.5
97.02826	2.0
97.06472	1.5
99.00761	0.9
101.02332	7.8
104.67255	0.5
111.08024	1.1
113.02344	5.4
113.09602	1.0
114.05472	0.6
115.07509	1.1
119.03402	2.7
121.02878	0.8
123.04395	0.5
125.02352	3.1
125.05948	0.5
137.09705	0.5
141.01859	1.1
141.09116	1.2
143.03395	1.6
151.11169	1.1
161.04460	2.3
163.11171	0.9
165.12756	3.5
167.10788	0.8
167.14314	1.7
171.10217	0.6
177.12767	0.6
179.05508	3.9
179.14305	0.8
179.60551	0.5
181.12212	3.5
183.13791	1.5
193.12250	1.4
195.13887	3.4
197.11804	1.5
201.11296	0.6
209.11778	1.7
210.35371	0.5
211.13348	3.7
213.14803	0.9
221.06624	1.4
221.15361	1.7
225.11295	0.7
227.12810	0.8
229.14349	1.2
235.08191	1.9
240.13698	0.7
247.20642	4.3
257.25659	0.5
263.07809	0.6
263.20175	1.6
273.18588	3.4
277.21817	1.0
281.21201	1.4
289.18097	1.9
291.19675	35.7
292.20016	2.3
293.21234	3.4
305.08554	0.6
307.19141	2.8
309.20724	100.0
310.21094	6.7
311.22260	2.6
325.20300	1.9
363.25284	1.0
379.12390	0.7
383.24347	0.6
397.13483	15.6
398.13904	0.8
415.14612	6.8
416.15051	0.5
527.28680	0.8
601.40967	0.6
689.33936	5.5
690.34283	0.9
707.34930	14.3
708.35492	1.4
857.45258	0.6
930.48364	1.8
981.53735	2.1
999.55420	6.7
1000.55518	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	997.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	1.4
70.15466	1.7
70.15862	1.5
71.01254	17.3
71.04890	2.5
72.99177	1.3
73.02840	2.7
75.00737	0.8
78.95770	0.8
80.02547	1.1
81.03328	2.4
83.01276	3.0
83.04899	1.3
85.02835	4.9
87.00761	5.2
89.02322	15.3
90.18993	0.7
92.04933	1.7
93.03325	0.8
95.01264	1.7
95.04893	1.3
96.95906	3.0
97.02821	5.4
98.03610	0.8
99.00739	1.5
101.02322	15.8
102.63428	0.7
109.06491	8.0
111.00745	1.1
111.04402	3.2
111.08054	5.7
113.02334	7.4
119.03403	4.2
121.06461	1.0
123.04439	1.0
123.08048	1.8
124.26976	0.6
125.02342	5.7
125.09614	2.3
127.07512	1.7
129.95140	0.7
136.03902	1.1
137.09630	1.6
141.01828	0.8
142.12283	0.7
143.03392	2.7
145.06483	1.5
149.09576	1.3
151.11154	1.4
153.12775	1.0
160.89600	0.8
161.04436	3.6
163.11154	2.9
165.12753	2.8
167.10672	2.4
169.12270	3.3
171.10202	3.7
179.05576	6.0
179.10666	2.3
181.12273	2.5
183.13792	1.0
191.14371	1.2
193.12349	1.0
193.16017	0.9
195.13773	1.3
197.09941	1.7
197.11780	27.3
198.12068	1.1
199.13264	1.5
207.10265	1.6
209.11761	5.6
211.13348	6.1
215.14413	0.8
221.06619	2.8
223.13341	0.9
225.11258	1.7
227.12910	3.9
235.08229	4.6
235.13387	1.3
239.12955	0.9
245.19002	6.1
247.20715	2.4
263.07462	0.8
263.20267	1.2
265.18082	1.1
271.16925	1.6
273.18564	1.7
287.07706	1.0
287.16696	2.5
288.07172	0.7
289.18115	100.0
290.18439	5.4
291.19662	31.0
292.20032	1.5
293.21262	1.5
305.08810	1.2
307.19202	8.4
309.20724	81.0
310.21109	4.6
316.19196	0.9
325.20535	0.9
331.19104	0.9
333.20850	0.8
379.12775	1.8
397.13556	38.5
398.13837	1.7
415.14606	17.1
431.84091	0.8
495.37735	0.9
687.32245	2.2
707.35229	2.0
878.30884	1.1
953.51697	1.1
979.53058	2.8
997.53772	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	997.538
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	3.6
71.01257	25.5
71.58237	1.8
71.58624	1.3
72.99185	2.8
73.02806	3.4
75.00760	1.4
78.95774	1.9
80.02541	1.1
81.03342	3.5
83.01254	3.6
83.04891	3.3
85.02835	7.6
87.00767	6.3
88.03905	2.2
89.02326	16.8
95.01254	2.0
95.04929	2.0
96.95879	3.0
97.02855	5.5
97.06458	3.1
99.00781	1.8
101.02325	17.2
109.02837	1.4
109.06470	2.6
111.04372	1.6
111.08048	9.8
113.02322	10.5
116.92733	4.1
119.03370	5.9
123.04375	2.5
123.08031	2.2
125.02339	7.0
125.09594	4.5
127.07497	1.1
131.03381	1.2
132.02887	5.7
133.72539	1.1
135.08040	1.5
137.09616	1.3
141.01817	1.6
142.97173	1.0
143.03375	3.7
151.11169	2.7
154.67274	1.1
161.04437	4.3
163.11209	6.5
165.12758	4.1
169.12302	5.4
171.10162	4.1
177.12837	1.4
179.05530	5.8
179.10706	2.1
181.12238	4.0
183.13777	7.5
185.11775	3.4
191.10718	1.5
191.14374	4.5
193.12241	1.4
197.11774	53.6
198.12050	1.5
199.13319	3.9
207.10266	3.5
209.11794	20.1
211.13365	11.5
221.06638	2.6
225.11308	2.7
227.12851	7.4
235.08183	6.5
237.11151	1.4
245.19109	11.9
253.09229	1.5
261.18579	1.1
263.07620	1.2
263.20172	10.6
265.18182	1.9
267.94849	1.2
281.21228	1.5
289.18094	43.8
290.18448	2.6
291.19669	23.9
305.08813	1.6
307.19153	55.9
308.19507	2.9
309.20715	100.0
310.21075	4.8
379.12503	2.4
397.13510	37.2
398.13882	3.1
415.14664	21.8
416.14529	1.7
589.24860	2.0
607.25977	5.3
687.32642	2.8
689.33148	1.4
705.32770	6.0
899.46393	5.2
900.46234	1.3
965.54156	3.1
997.55237	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	997.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	1.9
71.01255	19.6
71.04906	2.0
72.99178	1.4
73.02827	2.8
75.00733	0.9
81.03340	1.8
83.01277	2.3
83.04906	2.0
85.02818	3.6
87.00751	4.7
89.02320	15.2
95.01253	1.3
95.04922	1.8
96.95885	2.3
97.02844	3.1
97.06491	0.8
99.00755	1.3
101.02334	12.7
107.04948	0.9
109.06487	9.5
111.04416	3.1
111.08059	7.8
113.02333	7.8
118.39258	0.6
119.03396	5.1
123.04403	0.8
123.08076	1.1
125.02334	6.0
125.09615	0.8
127.07563	1.8
137.05963	0.8
137.09653	0.9
141.09100	0.9
143.03429	2.7
143.04472	0.7
143.10661	0.9
145.06505	1.8
151.11237	1.5
153.09167	0.9
161.04469	3.9
163.11221	1.7
167.10719	1.9
169.12244	4.9
171.10146	1.5
177.12796	0.9
179.05574	4.9
179.10603	1.2
181.12256	2.2
183.13922	1.4
185.11787	1.2
191.14365	1.8
195.13831	2.0
197.11771	43.2
199.13365	2.2
209.11786	2.2
209.49188	0.8
211.13374	7.1
221.06534	2.8
227.12868	1.6
229.43115	0.8
235.08099	4.1
235.13481	1.0
239.44711	0.7
245.19037	6.0
247.20595	1.0
253.09190	1.4
260.86160	0.7
263.07715	1.0
263.20178	4.2
265.18149	1.1
271.17181	1.7
272.09003	0.9
273.18564	1.2
287.07785	0.8
287.16476	1.4
289.18103	100.0
290.18497	4.6
291.19681	18.8
293.21423	1.3
305.08728	1.3
307.19122	9.9
309.20715	92.9
310.21161	3.2
323.09793	1.0
331.19510	0.9
379.12469	2.6
397.13489	41.3
398.13818	1.9
415.14523	18.2
526.56421	0.8
613.75964	0.8
613.86346	0.7
687.32025	4.3
689.33771	1.2
757.93085	0.8
979.52277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5389
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03335	3.5
69.95528	4.7
71.01256	29.8
72.99180	3.9
73.02824	3.8
75.00754	1.2
78.95779	2.5
79.24229	0.8
80.02566	1.1
80.96391	1.0
81.03339	3.5
83.01257	4.8
83.04903	2.2
85.02835	7.9
87.00745	6.4
88.83285	0.7
89.02325	25.3
89.60341	0.7
93.03378	0.9
95.01264	2.6
95.04916	1.9
96.95905	2.6
97.02830	11.2
97.06465	5.0
99.00793	2.0
101.02332	21.4
109.02872	1.2
109.06483	2.6
110.03662	0.9
111.08050	7.8
113.02338	11.7
116.92749	3.6
119.03388	7.6
119.04991	0.7
119.08554	0.9
121.06451	1.4
123.04403	4.1
123.08079	2.2
125.02341	7.3
125.09586	6.4
127.07581	0.8
131.03436	1.4
131.04453	1.0
133.04929	0.9
135.08073	1.1
137.05966	1.3
137.09636	4.1
141.01810	1.3
141.12773	1.5
143.03406	3.1
149.04417	1.5
149.06079	1.2
149.09637	0.9
151.11180	1.7
152.99498	1.4
153.12759	1.4
161.04507	5.1
161.09637	1.4
163.11215	9.0
165.12776	7.0
167.03357	0.8
168.77156	0.9
169.12288	2.6
171.10245	6.1
177.12711	0.9
179.03175	0.9
179.05553	7.6
181.12248	4.8
183.13841	2.8
185.11746	7.0
189.12715	1.0
191.10751	1.7
191.14339	8.4
193.12282	2.2
195.13852	1.0
197.11781	39.3
198.12169	1.8
199.13379	1.4
207.10208	4.9
209.11769	21.6
210.12021	0.9
211.13339	10.0
217.15990	1.1
221.06633	3.5
221.11772	0.9
223.13425	1.8
225.11333	3.6
227.12827	5.7
235.08231	6.6
237.11304	4.4
243.17496	1.0
245.19118	13.5
247.20644	3.7
253.09283	2.3
263.07834	1.6
263.20142	6.9
265.17725	0.9
271.17096	1.5
273.18607	1.8
277.21469	0.8
287.07629	2.2
289.18106	64.7
290.18506	3.7
291.19669	42.5
292.20007	2.5
293.21194	4.6
305.08832	1.9
305.17557	1.8
307.19162	67.4
308.19476	3.3
309.20718	100.0
310.21057	4.9
318.61023	0.8
323.09839	2.2
325.20239	2.2
333.21017	1.2
379.12531	3.8
397.13528	46.8
398.13879	2.4
415.14594	19.7
416.15146	0.9
446.34180	0.9
687.33221	1.5
705.33386	3.0
707.34778	1.6
899.46222	2.2
965.54590	3.2
979.53088	1.1
997.54175	6.3
998.52167	1.8
1009.65356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	1.6
69.37788	13.7
71.01262	40.0
71.04883	1.6
72.99200	3.8
73.02829	16.4
75.00749	3.0
78.95804	1.5
81.03335	8.1
83.01270	4.8
83.04911	3.8
85.02835	24.2
86.95235	1.2
87.04394	1.8
89.02340	8.4
92.04947	3.3
96.95914	3.6
97.02814	2.0
99.00764	6.2
99.04407	5.1
101.02341	9.5
103.03914	6.7
108.02084	2.1
109.02844	3.9
119.03430	1.8
121.10140	26.4
127.03922	2.9
136.03929	5.2
139.11200	1.4
145.04993	4.7
145.06091	1.3
163.06010	3.6
163.11200	2.4
165.09146	29.3
167.10677	3.6
167.75128	1.4
171.10249	1.7
183.10222	3.5
186.18544	1.5
201.66638	1.4
205.07294	1.7
207.10204	5.8
209.11829	2.9
211.13342	2.0
213.44649	1.3
262.14456	1.7
271.02557	2.1
292.15598	2.5
300.02835	2.2
309.20551	2.0
311.15018	14.4
329.16089	38.9
337.11731	1.4
347.65402	1.3
459.24414	2.0
477.24951	17.9
480.25394	1.6
519.25867	6.5
548.32727	2.0
623.30780	24.0
624.31512	2.7
641.32086	14.8
642.31354	1.9
789.40485	15.8
790.40808	2.5
935.46576	100.0
936.47388	15.6
995.44708	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	997.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	0.6
71.58064	0.4
72.25512	0.4
93.03356	0.4
102.14385	0.3
107.01279	2.2
108.02065	0.7
109.02854	1.1
121.02851	1.3
131.48647	0.3
135.00792	0.6
148.01570	1.3
151.00282	7.3
153.01805	0.5
163.00299	1.8
164.01045	0.5
169.01358	0.8
178.99805	4.3
179.77245	0.4
183.04372	0.4
187.03876	0.6
199.03995	0.5
211.03935	1.0
215.03445	0.6
226.02705	0.9
227.03548	2.3
243.02959	7.3
244.03496	0.6
245.04446	0.9
254.02252	1.6
255.02985	20.0
256.03384	1.2
269.13776	0.4
271.02475	39.8
272.02960	3.0
273.04013	0.4
283.02469	0.5
284.03201	1.3
285.04071	1.3
299.01932	1.1
300.02747	84.1
301.03473	30.3
302.03925	1.8
321.95197	0.4
447.09277	1.4
462.81030	0.4
463.08994	1.8
503.08505	0.8
505.09891	100.0
506.10208	10.2
579.13696	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	993.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	1.7
71.01258	20.3
71.58091	2.3
72.99186	4.5
73.02821	3.2
75.00757	2.4
83.01264	4.2
85.02820	5.5
87.00774	9.6
89.02312	11.9
96.95898	3.1
97.02842	3.0
99.00777	4.2
101.02321	9.9
109.02855	2.7
111.00719	2.3
113.02366	7.3
115.00257	4.7
119.03396	2.6
121.02858	1.8
125.02377	6.6
125.09603	1.4
131.03401	1.4
134.03624	2.0
135.02867	2.0
135.04420	1.4
137.02306	1.7
139.03918	1.5
141.07590	1.2
142.99750	5.6
143.03374	2.2
161.04468	2.3
165.12775	4.9
173.00793	2.2
174.01607	5.6
175.02423	8.4
175.03754	2.2
179.05556	1.8
181.08533	1.7
183.13846	37.8
184.14275	1.5
203.03300	1.6
209.11775	7.5
211.13348	30.8
212.13617	2.2
221.06653	1.7
223.13269	1.4
227.12886	3.9
255.02979	1.8
263.12814	2.2
284.03244	2.5
285.04425	1.5
289.07153	3.9
299.02249	2.0
299.05585	3.8
300.02893	1.7
329.15979	1.5
379.12384	1.4
397.13391	4.1
415.14636	2.2
509.03214	1.5
817.38110	2.9
819.40259	100.0
820.40753	12.0
831.40070	1.8
859.39050	2.2
875.38892	7.6
915.38269	2.2
928.20197	1.6
934.25671	1.5
975.41138	15.0
976.40460	1.9
993.41321	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	989.314
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	1.0
71.01257	14.7
71.57891	1.5
72.99191	2.2
73.02813	2.1
75.00746	5.0
83.01286	1.1
85.02834	10.7
87.00744	3.6
89.02319	4.7
93.03329	2.0
95.01263	1.6
99.00748	4.1
113.02327	8.7
115.00289	1.0
117.03323	1.2
119.04942	2.8
131.03325	1.0
136.94235	1.1
145.02815	1.5
151.00302	1.8
163.03914	2.4
167.10732	1.4
173.04469	7.0
178.99898	1.7
191.05531	3.9
233.04384	2.1
233.06631	28.1
243.02940	3.6
244.03441	1.0
244.16757	1.1
249.06102	7.8
255.02957	11.6
256.03482	1.4
267.07254	2.2
270.99744	1.9
271.02487	22.4
272.02859	1.9
300.02759	46.1
301.03281	6.1
319.08118	2.9
379.10260	3.2
439.17938	1.5
481.14502	1.1
565.21375	100.0
566.21527	6.1
609.14630	42.3
610.15192	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	989.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	22.0
71.21267	1.6
72.99188	8.9
73.02816	4.1
75.00748	2.4
75.03876	0.7
77.17584	0.7
81.03310	0.8
83.01266	4.1
83.04892	0.8
83.10471	0.7
85.02830	7.0
87.00768	11.0
89.02325	7.6
93.03336	0.8
99.00755	8.8
101.02328	8.3
103.03896	1.6
108.02078	0.7
111.00759	1.8
112.98712	7.4
113.02340	2.9
113.99525	1.0
115.00271	15.8
118.96777	0.7
119.03430	1.3
119.08542	1.5
119.29443	0.6
120.47209	0.7
121.10099	1.2
124.98706	3.3
125.02330	1.0
129.01865	0.8
131.03416	2.8
135.02884	1.1
142.99783	19.2
143.03427	1.0
145.04941	2.4
149.04468	0.8
150.03134	1.3
156.00537	2.6
157.01335	1.6
161.04544	1.6
165.05429	0.8
167.14354	0.9
173.00833	8.5
174.01628	19.8
175.00970	1.5
175.02425	23.7
175.03946	1.6
181.08578	1.3
183.13855	7.7
193.12263	2.1
201.12608	1.0
205.12352	1.0
207.13849	1.3
209.11751	1.2
211.13353	100.0
212.13696	2.5
223.13344	4.2
233.11916	1.5
235.08221	1.3
235.13458	1.5
237.11339	0.9
237.15001	0.9
239.12772	0.9
245.11969	1.7
249.11301	0.8
251.12883	0.9
253.09308	3.3
253.14403	0.8
253.68243	0.8
261.11227	0.9
263.12888	4.4
287.12988	0.9
289.10529	0.8
315.14508	1.5
322.86484	0.7
329.16110	5.6
330.16321	1.7
337.11536	1.2
429.21399	2.8
447.22342	9.0
623.34460	7.9
624.35254	0.9
641.35608	13.6
642.36029	1.5
679.33496	4.2
681.35089	1.1
693.33923	1.4
697.34436	14.3
709.33954	1.1
711.36115	2.4
715.35632	5.3
723.35425	1.0
727.35767	1.3
735.36163	1.5
737.34070	9.5
738.34943	1.1
753.36768	1.0
755.34918	7.2
767.35321	1.7
779.35333	1.8
785.36621	1.2
797.36053	19.4
798.36230	3.1
815.37012	4.8
971.37720	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	987.5901
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.7
71.01254	9.5
71.57891	1.2
71.58298	1.2
73.02825	1.5
78.95772	1.7
83.01256	1.1
85.02824	2.7
87.00762	2.9
89.02319	9.0
96.95905	1.5
97.02837	1.2
99.08028	2.2
101.02327	8.9
102.10206	1.0
104.79538	0.9
113.02327	3.8
113.09650	1.7
116.92746	2.0
119.03387	1.8
125.02349	3.8
127.18805	0.9
128.72278	0.8
129.09097	3.0
135.34073	1.0
151.11194	1.2
155.10710	0.9
161.04431	1.7
169.12259	1.9
171.10149	2.7
179.05536	1.9
181.12263	3.9
183.13844	2.0
193.12332	1.2
197.11758	8.2
199.13396	3.0
200.45831	0.9
201.11238	1.2
209.11703	2.2
211.13335	16.1
231.16962	1.0
235.08235	2.1
252.95618	1.0
274.82495	1.1
275.20142	2.1
276.83057	1.0
277.21725	20.3
293.21289	9.4
305.08810	1.7
311.22290	100.0
312.20065	0.9
312.22726	9.7
313.22986	2.2
323.09747	1.2
342.34250	1.0
397.13553	37.5
398.13712	1.6
415.14618	9.7
519.10217	1.3
588.36469	1.1
675.35352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87312	0.8
71.01257	1.4
73.02809	0.2
78.95750	0.2
79.19090	0.2
81.03285	0.2
85.02804	0.3
85.25671	0.2
87.00771	0.3
88.98695	0.1
89.02328	1.0
92.90352	0.1
95.04811	0.2
97.02831	0.3
99.08028	0.2
101.02300	0.9
111.08074	0.2
113.02340	0.4
113.09615	0.6
115.07540	0.8
116.92751	0.6
117.27705	0.2
119.03386	0.2
125.02336	0.6
126.06709	0.1
127.07558	0.4
128.08313	0.4
137.55797	0.1
139.11154	0.3
141.98714	0.2
160.07240	0.2
161.04422	0.2
164.32777	0.2
167.10588	0.2
167.14339	2.2
173.44926	0.2
179.05566	0.3
183.13811	1.3
185.15366	0.2
190.83000	0.2
195.13852	8.3
196.14113	0.3
211.13391	0.8
212.44090	0.1
212.73875	0.2
213.14938	0.9
229.14427	0.2
235.08125	0.4
239.23717	0.3
241.14476	0.3
242.15179	0.7
249.22231	0.6
265.21729	0.6
267.23254	0.5
275.20129	0.4
277.21753	2.5
283.22839	0.5
291.19586	0.2
293.21237	6.5
293.24506	0.3
294.21570	0.3
311.22290	100.0
312.19003	0.3
312.22635	5.5
397.13504	4.3
398.13846	0.3
415.14487	1.7
514.07349	0.2
718.73389	0.2
879.20160	0.2
976.01709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5745
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.2
70.35040	1.2
71.01255	12.7
71.19466	0.3
72.99182	1.4
73.02804	1.5
75.00738	0.4
78.95753	0.9
81.03320	1.0
83.00384	0.3
83.01273	1.5
83.04916	0.7
84.02048	0.4
85.02826	10.7
87.00742	2.7
89.02324	11.9
90.85149	0.3
95.01266	0.8
95.04881	0.4
96.95877	0.6
97.02838	3.2
97.06468	2.6
97.83955	0.3
99.00732	0.9
101.02328	9.7
102.74990	0.3
103.43666	0.3
109.02840	0.4
109.06467	0.4
111.04404	0.4
113.01619	0.5
113.02337	5.2
115.47412	0.3
116.92718	0.5
119.03403	3.0
119.08596	0.5
124.18204	0.3
125.02349	4.6
125.09606	1.2
127.11186	1.5
131.03352	0.7
137.09633	2.8
143.03416	1.4
152.99467	0.6
155.10703	0.8
155.14316	0.6
161.04459	2.5
163.03903	0.3
163.11188	0.4
165.12759	0.9
167.14261	0.6
171.00601	0.3
171.10187	29.7
172.10553	1.0
175.11139	0.4
177.12761	0.5
179.05551	4.9
183.13864	2.4
185.11713	0.9
193.12277	0.8
195.13849	0.4
197.11768	1.0
201.11249	1.7
203.10768	0.6
209.11726	1.5
211.13347	12.9
212.13702	0.4
221.06596	1.7
221.11824	2.4
223.13284	0.4
227.12854	0.4
229.14415	8.3
235.08189	3.3
239.12871	1.7
245.04256	0.7
247.20627	0.3
253.09273	0.9
257.13824	0.4
263.07571	0.5
277.21722	18.6
278.22028	1.0
287.07745	0.9
290.27032	0.4
291.19672	4.3
293.21262	3.1
295.22760	0.7
305.08801	1.5
309.20700	11.6
310.21109	0.6
311.22266	1.8
323.10010	0.6
327.21765	100.0
328.22104	5.6
351.21600	0.7
379.12494	0.6
397.13486	22.5
398.13815	1.4
415.14575	14.8
416.14795	0.8
481.25748	1.0
486.91946	0.3
550.55408	0.3
587.43262	2.5
588.44348	0.6
675.36456	0.8
707.34930	5.0
708.35175	0.8
725.36310	4.7
726.36768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03378	0.3
71.01256	3.3
73.02834	0.4
80.02562	0.2
83.01310	0.4
83.04962	0.5
83.70357	0.1
85.02879	0.5
87.00809	0.7
89.02325	2.6
97.02890	0.7
97.06546	0.3
99.00803	0.3
99.04360	0.2
99.08141	0.2
101.02333	2.1
107.08603	0.2
109.06546	0.5
111.08031	1.8
113.02349	1.1
119.02667	0.2
119.03456	0.6
123.08076	0.2
125.02335	0.9
125.09669	0.7
127.07552	0.3
127.11175	1.3
129.09180	0.4
134.07277	0.2
137.09665	0.2
141.02007	0.2
141.09145	0.2
142.75273	0.2
143.03413	0.4
149.09714	0.3
151.07585	0.3
151.11217	0.8
153.09201	0.6
153.12769	3.2
154.47791	0.2
155.10715	1.2
157.08456	0.2
161.04547	0.6
163.11237	0.3
165.12848	0.5
167.10693	1.5
169.12294	0.7
177.12767	0.2
179.05621	0.6
179.10770	0.5
179.14348	1.5
181.12267	2.3
189.12778	0.2
193.15982	0.6
197.11739	2.0
198.75154	0.2
199.13348	0.9
205.15733	0.2
207.13835	1.7
209.11835	0.7
209.15468	0.3
211.13332	0.3
212.95137	0.2
213.14986	0.2
215.12808	1.3
217.15953	0.3
221.06654	0.2
226.12088	0.6
227.12946	1.0
228.13673	0.7
231.17609	0.3
235.08182	1.3
237.22073	0.3
241.14476	0.3
245.19128	0.2
247.20663	3.3
248.21155	0.3
253.09166	0.2
263.07764	0.2
263.20172	0.7
265.21790	0.7
273.18591	2.3
277.21710	7.5
278.22049	0.5
281.21188	1.4
287.07901	0.4
289.17987	0.2
291.19672	23.9
292.20010	1.4
305.08682	0.3
309.20709	100.0
310.21042	6.3
315.15848	0.2
323.09802	0.3
397.13504	11.2
398.13800	0.6
400.79395	0.2
415.14551	4.2
416.15198	0.2
430.80588	0.2
675.35248	0.3
897.28510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5999
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	0.3
69.90842	0.9
71.01257	0.9
72.46288	0.2
83.04896	0.5
85.45090	0.2
95.04902	0.2
96.95910	0.6
97.02807	0.4
97.06468	1.2
101.02313	0.3
102.47467	0.2
109.06497	0.4
111.08058	0.3
112.04012	0.2
113.02249	0.2
113.09634	1.5
115.07536	1.0
117.89500	0.2
121.10136	0.3
123.54118	0.2
124.05183	0.3
125.05968	0.6
125.09602	0.3
126.06737	0.4
127.07495	0.2
137.09584	0.3
139.11197	0.5
141.09129	1.0
151.11168	0.3
163.11212	0.6
165.12755	2.6
167.10637	0.6
167.14334	1.3
171.10168	0.5
174.13802	0.2
181.12271	2.8
183.13808	0.8
193.12228	1.4
193.15927	0.4
195.13834	1.0
197.11737	0.4
201.11246	1.2
207.10248	0.5
209.11801	3.8
210.12300	0.4
211.13332	4.5
213.14882	0.6
221.15428	1.4
225.11165	0.2
227.12817	1.0
229.14374	0.9
233.11705	0.2
239.12843	0.3
240.13684	1.5
241.14330	0.3
245.19084	0.3
247.20688	3.5
248.20741	0.2
249.18774	0.2
253.09227	0.4
263.20114	0.6
265.21741	0.3
273.18594	2.3
281.21194	1.1
289.18140	0.4
291.19672	22.1
292.20004	1.5
293.21255	0.4
309.20718	100.0
310.21051	6.9
311.21964	0.4
525.32355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	2.3
69.81261	7.9
71.01258	54.2
72.99184	8.8
73.02822	17.8
73.23192	1.1
79.01608	1.5
81.03333	5.8
83.01270	5.3
83.04907	2.6
85.02829	30.1
85.99979	1.4
87.00770	4.1
87.04437	1.4
89.01831	1.6
89.02332	15.7
95.01321	1.2
96.95873	1.3
97.00429	1.3
97.02791	1.6
98.19723	1.5
99.00764	5.8
99.04395	3.7
101.02319	19.6
103.03911	6.9
108.02073	1.4
109.02827	3.0
110.02660	1.2
111.04401	4.3
113.02335	3.1
114.08307	1.3
119.03397	4.3
119.08566	58.5
120.08888	1.7
121.10143	6.9
127.03908	4.6
131.03346	1.6
133.06433	1.6
135.08040	1.3
137.09590	2.5
145.05002	2.4
161.09595	1.9
163.06224	2.6
163.07555	20.1
165.09126	9.2
167.10692	4.9
181.08588	6.5
183.10191	7.9
203.45499	1.3
207.10201	2.3
209.11716	2.2
309.13455	3.5
311.14966	3.5
327.14597	10.1
329.16110	8.7
330.16272	1.9
345.15677	5.6
424.29514	1.3
475.23804	1.8
495.25748	1.5
621.29425	2.2
627.30121	3.3
639.30383	13.8
657.31262	19.4
658.32037	1.9
785.37817	1.9
803.38312	2.5
937.44745	11.8
938.45355	2.0
949.44318	22.0
950.45416	2.7
955.45593	55.8
956.45728	8.8
967.45526	100.0
968.45441	14.0
985.46637	52.4
986.47278	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	983.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	3.5
71.01258	42.4
72.90896	1.9
72.99201	4.0
73.02842	4.7
75.12025	1.9
81.03292	2.7
83.01268	6.2
85.02840	9.0
87.00751	6.8
89.02327	26.4
93.03331	2.2
95.01287	3.0
96.95902	2.0
97.02834	6.3
97.06511	2.8
98.20657	4.2
101.02324	19.5
109.06477	2.3
111.08057	6.3
113.02354	15.1
116.92736	4.1
119.03389	6.3
123.07977	1.9
123.29225	2.2
125.02343	6.6
125.09658	2.0
139.03874	2.9
142.46275	2.1
143.03419	4.3
161.04509	6.0
165.12834	2.9
167.10687	1.9
171.10242	6.0
179.05573	5.6
179.10606	1.9
183.13853	2.8
195.13852	17.7
197.11810	5.1
201.49265	1.9
209.11763	13.3
210.12093	3.5
211.13332	5.9
223.13377	6.1
227.12874	3.7
228.13495	2.3
235.08192	8.9
245.19031	4.6
247.20695	3.0
263.19928	2.4
275.20142	7.3
277.21774	20.6
289.18124	14.6
291.19687	68.1
292.19958	3.9
293.21252	100.0
294.21579	16.9
295.22787	25.3
296.23135	2.7
307.19159	21.4
308.19516	7.6
309.20712	13.7
310.20926	2.4
325.20221	21.6
379.12357	3.7
397.13498	45.6
398.13712	4.1
415.14667	26.0
449.79935	2.2
475.68698	2.0
609.27167	2.1
654.41687	1.8
777.90631	2.0
846.76990	1.9
885.47736	3.6
983.55176	6.2
1018.56525	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	983.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	1.3
70.34167	1.1
71.01258	12.7
72.99196	1.1
73.02831	2.0
78.11688	0.4
81.03365	0.5
83.01249	0.8
83.04899	0.5
85.02824	2.8
86.63625	0.3
87.00760	2.9
89.02326	12.9
91.03933	0.4
93.06934	0.4
95.01255	0.9
97.02829	2.0
97.06469	0.4
99.00748	0.7
101.02326	8.8
109.06487	0.4
111.08042	7.7
113.02332	6.0
115.92555	0.4
119.03400	3.1
125.02357	3.8
125.09637	0.4
127.07539	1.2
129.01875	0.4
131.03429	0.5
143.03398	2.7
151.11229	0.4
153.12766	0.6
161.04462	2.9
165.12756	0.4
167.10751	0.5
169.12283	3.6
171.10187	0.7
179.05554	4.3
179.10764	0.6
179.14343	0.6
181.12253	1.0
183.13803	0.6
193.12329	0.6
195.13855	6.3
196.14586	0.5
197.11775	38.9
198.12079	1.8
199.13327	1.8
205.12265	0.6
205.15886	0.6
209.11868	0.5
211.13347	7.1
213.37128	0.4
221.06725	1.6
223.13332	5.4
224.13638	0.4
227.12886	1.3
229.19789	0.4
231.21193	0.4
235.08218	3.8
247.20622	0.4
253.09265	1.3
256.13150	0.7
263.07687	0.7
263.20206	3.5
265.18051	1.1
265.21848	0.6
273.18655	0.9
275.20154	4.2
287.07779	1.2
291.19681	15.1
292.20016	1.1
293.21240	97.8
294.21579	7.3
305.08762	1.1
309.20724	100.0
310.21021	6.9
323.09839	1.0
327.21530	0.4
333.20743	0.5
379.12341	2.0
397.13519	31.7
398.14056	1.7
415.14603	24.1
416.15067	1.6
585.41571	2.6
586.41125	0.5
595.26489	0.6
674.00897	0.4
689.34222	1.9
690.35498	0.4
691.35498	1.5
707.34766	3.7
708.33752	0.7
785.40680	0.4
983.56366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03368	1.9
69.05959	0.5
69.40581	3.8
69.41001	0.9
71.01256	15.4
72.99209	1.1
73.02837	2.4
78.95809	0.5
81.03368	1.0
83.01315	1.4
83.04930	0.6
85.02822	4.6
87.00761	3.9
89.02317	11.9
95.01295	0.7
95.04929	0.5
96.95940	0.6
97.02844	5.2
97.06449	0.6
98.20545	0.9
99.00784	1.0
101.02324	11.6
103.05548	0.4
109.06500	0.6
111.04432	0.6
111.08047	4.6
113.02341	6.7
119.03393	3.3
125.02336	4.3
125.09651	0.9
131.03418	0.6
137.09709	0.9
141.09122	0.5
143.03442	2.2
149.04488	0.5
161.04462	2.4
163.11244	1.5
165.12761	2.4
167.10719	0.8
169.12321	1.6
171.10199	3.7
179.05557	3.8
179.14369	1.0
181.12323	1.6
183.13881	1.3
193.12286	0.9
195.13843	8.1
197.11766	23.3
198.12080	1.1
199.13341	0.9
204.24428	0.5
205.12308	0.9
209.11794	1.8
211.13333	4.6
221.06667	1.8
223.13339	6.1
227.12898	1.8
235.08246	4.4
247.20694	1.9
253.09186	0.6
256.13168	1.6
263.20157	1.4
273.18616	1.0
275.20139	6.7
275.94235	0.5
287.07840	1.3
291.19675	25.4
292.20068	1.4
293.21231	100.0
294.21591	5.8
305.08920	1.2
309.20706	69.9
310.21011	3.8
317.21124	0.7
323.09750	1.4
333.20917	0.6
379.12332	1.5
397.13501	32.4
398.13773	1.8
415.14563	17.2
416.14789	1.4
494.58267	0.6
575.64270	0.5
585.41339	1.9
618.46326	0.5
631.45441	0.5
673.34521	0.6
689.33722	0.8
691.35510	2.4
707.35107	2.5
807.79510	0.5
857.38531	0.5
870.75421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.8
70.86945	0.9
70.87304	0.6
71.01259	16.1
71.04890	0.6
72.99159	1.2
73.02827	2.7
75.00732	0.7
80.97445	0.5
81.03312	1.1
83.01241	1.7
83.04875	0.7
84.82237	0.5
85.02829	3.7
85.15744	0.5
87.00763	3.9
89.02322	13.1
89.08839	0.4
95.01237	1.6
97.02840	6.8
97.06455	1.3
99.00757	1.0
99.04438	0.5
101.02327	11.1
108.17836	0.5
109.06453	0.9
111.04388	0.5
111.08043	4.4
113.02340	7.0
115.00241	0.6
119.03406	3.6
119.77645	0.4
121.10093	0.6
124.01577	0.5
125.02353	4.0
125.09619	1.1
131.03366	1.0
137.09618	1.8
143.03381	2.1
149.04477	0.5
151.11174	0.4
153.12787	0.5
156.25510	0.5
161.04506	2.9
163.11194	1.0
165.12770	2.8
167.10625	0.7
169.12202	1.5
171.10196	4.6
177.12843	0.6
179.05536	5.1
179.14301	1.0
181.12259	2.1
183.13826	1.1
189.06407	0.5
193.12251	1.7
195.13870	8.9
196.14340	0.8
197.11777	18.7
199.13353	1.2
205.12408	1.1
209.11807	2.2
211.13347	5.1
221.06602	1.6
221.88301	0.5
223.13371	5.8
227.12868	1.9
235.08179	4.1
235.17007	0.5
247.20567	1.9
253.09348	1.0
256.13132	1.2
263.20126	1.1
273.18817	1.0
275.20154	6.2
281.25058	0.5
287.07819	1.2
291.19693	22.4
292.20154	1.6
293.21249	100.0
294.21533	6.6
305.08752	0.9
309.20740	86.7
310.21051	6.5
317.21280	0.6
323.09787	1.4
327.21582	0.6
379.12411	1.8
397.13525	34.4
398.13776	2.1
415.14615	21.2
416.15009	1.1
417.15665	0.5
550.98151	0.5
585.41638	3.5
673.33929	1.0
689.33844	1.3
691.35529	1.8
692.36218	0.6
703.89514	0.5
707.34906	2.8
983.54626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41326	2.4
79.45831	0.2
83.01243	0.5
100.01833	0.3
107.01252	1.9
108.02070	0.9
109.02835	1.0
109.44137	0.3
121.02835	1.2
135.00742	0.5
148.01567	0.9
150.99121	0.5
151.00282	7.7
163.00308	1.9
164.01019	0.5
169.01346	0.4
178.99796	4.5
183.04431	0.4
187.03926	0.3
190.99779	0.3
192.10674	0.3
198.03127	0.3
199.04007	0.4
201.01889	0.3
203.03351	0.4
211.03957	0.7
216.04210	0.3
226.02716	1.0
227.03526	1.6
229.05035	0.4
239.03557	0.7
243.02968	6.5
244.03564	0.4
245.04546	1.0
254.02112	1.4
255.02985	18.5
256.03333	1.0
271.02487	39.0
272.03015	2.9
273.04047	0.7
283.02493	0.9
299.01959	0.8
300.02759	87.1
301.03491	32.9
302.03900	1.8
433.07608	0.8
463.08914	2.2
505.09912	100.0
506.10281	8.6
507.10687	0.3
779.52960	0.3
985.25049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.58
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71997	1.8
71.01251	3.2
72.99191	0.3
73.02823	0.6
78.54868	0.2
78.95807	0.3
81.03337	0.5
83.01254	0.4
83.04897	1.2
84.02051	4.4
85.02823	1.1
87.00746	0.9
88.98672	0.3
89.02325	1.3
95.01247	0.3
95.04881	0.7
97.02827	1.3
97.06472	6.2
98.19733	0.3
99.04404	1.1
101.02327	1.7
102.90671	0.3
107.04901	0.3
108.15898	0.3
109.06457	0.5
109.13008	0.2
111.00819	0.2
111.04404	0.3
111.08073	0.4
113.02332	0.6
115.00249	0.3
119.08586	0.7
121.10120	0.3
122.61774	0.2
123.04390	0.4
125.02334	0.4
125.09616	2.0
127.11185	0.4
130.04198	0.3
131.03415	0.4
136.04019	0.3
137.09607	1.5
145.00276	0.3
145.04964	0.3
151.11189	0.6
153.09099	0.5
161.04555	0.4
163.11226	0.6
165.12761	0.8
171.10191	16.1
172.10522	0.5
175.03903	0.3
175.11200	0.8
177.12759	0.5
181.08611	0.3
181.21907	0.3
181.23610	0.3
183.10143	0.3
183.13875	0.6
185.11765	0.6
187.09457	0.2
189.67177	0.2
192.91058	0.3
193.12280	10.0
196.88120	0.3
197.11679	0.5
197.15393	0.5
201.11218	0.5
207.10194	0.5
209.11761	4.4
210.12036	0.3
211.13362	4.7
212.13733	0.4
215.14365	1.0
221.11772	1.1
225.14915	14.4
226.15282	0.6
233.15439	3.1
235.08244	0.4
241.14397	0.3
243.16010	6.0
249.14954	0.8
253.14467	0.8
291.19476	1.2
305.17557	0.7
305.21027	0.4
309.20538	0.5
315.14679	0.7
323.22205	0.3
324.11737	0.3
329.16025	0.6
341.23322	100.0
342.23676	7.5
385.23819	2.4
403.24887	1.6
421.25967	0.3
429.94107	0.3
535.27484	0.3
611.34778	0.3
621.32788	16.4
622.33228	1.8
639.33923	4.1
640.34528	0.5
644.62170	0.4
802.39282	0.4
981.50800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99694	0.5
69.03316	1.6
71.01260	19.6
71.34832	1.3
72.99182	1.7
73.02831	2.7
75.00770	0.6
78.95781	1.3
81.03333	1.6
83.00789	0.5
83.01252	2.4
83.04900	2.0
85.02823	4.5
86.88660	0.7
87.00746	3.5
89.02323	13.3
95.01266	1.6
95.04931	1.1
96.95908	3.8
97.02831	3.5
97.06463	4.4
99.00768	1.6
101.02332	13.1
107.04881	0.8
109.02835	1.2
109.06438	0.9
111.00768	1.0
111.04370	0.5
111.08052	2.2
113.02340	8.5
113.09669	0.7
116.92723	0.9
119.03384	5.4
122.98309	0.5
123.04398	1.0
123.07988	0.7
125.02351	4.5
125.09591	0.8
131.03398	0.7
133.04938	0.6
135.04404	0.6
137.09624	0.6
141.01816	0.7
143.03419	2.5
145.05084	0.5
149.04431	0.6
151.07515	0.6
151.11197	4.9
151.69460	0.6
155.10699	1.5
161.04474	3.3
163.11212	1.1
165.12747	6.3
167.10648	1.3
169.12297	1.8
171.10156	1.8
178.04462	0.5
179.05542	5.2
179.10695	2.0
179.14255	1.2
181.12283	5.0
183.13840	3.5
191.10701	3.3
191.14334	1.5
195.13840	7.5
196.14339	0.7
197.11804	1.0
205.12292	1.1
207.10225	0.8
209.11771	16.4
210.12096	1.3
211.13397	4.4
221.06573	2.0
223.13358	6.5
225.11183	0.7
227.12866	11.2
228.13483	1.4
231.21173	0.7
235.08232	3.7
245.19080	5.9
251.13156	0.6
253.09207	0.8
256.13205	1.5
256.30673	0.6
263.07813	1.4
263.20126	8.8
275.20227	4.4
276.20718	0.6
279.19632	1.3
287.07697	1.0
289.18127	11.7
290.18570	1.1
291.19724	2.6
293.21249	100.0
294.21582	8.7
307.19162	39.3
308.19452	2.4
309.20746	2.3
323.09790	1.0
359.50681	0.7
379.12589	1.8
383.76343	0.6
397.13556	25.0
398.13858	1.6
415.14606	11.3
577.38141	0.6
589.24744	2.7
607.26190	9.9
687.32483	3.5
688.31946	1.0
691.35809	1.3
705.33539	6.4
706.33673	1.2
883.47028	12.7
884.47546	3.0
963.53021	0.9
981.54376	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	981.543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	1.7
69.28856	5.4
69.29281	11.0
71.01257	17.9
72.08767	1.3
73.02816	1.8
77.56211	1.6
78.95773	4.0
83.01277	4.7
83.04892	2.1
85.02837	5.4
87.00755	6.2
89.02324	14.2
93.03340	1.4
95.01263	1.8
96.95909	5.2
97.02827	6.2
97.06466	3.0
101.02319	12.5
113.02339	7.1
119.03404	3.5
123.04430	2.0
125.02309	6.7
125.09581	3.5
137.09583	3.7
143.03386	3.0
161.04434	2.5
163.11191	5.0
165.12737	1.5
179.05540	5.1
181.12283	1.8
185.11693	4.6
191.14366	4.7
195.13820	6.6
197.11806	1.8
207.10185	3.5
209.11813	13.7
211.13364	4.7
217.16019	1.7
221.06573	1.9
223.13345	6.6
225.11256	2.6
227.12924	2.5
235.08173	4.8
236.49271	1.4
237.11382	2.8
245.07295	1.4
245.19125	9.2
253.09142	1.7
263.20132	2.6
275.20123	6.3
281.21194	1.7
287.07892	1.5
289.18091	45.9
290.18326	3.6
291.19620	5.6
293.21222	100.0
294.21542	9.1
306.05273	1.6
307.19156	41.3
308.19543	3.4
309.20743	5.2
354.64297	1.4
375.06018	1.6
379.12241	2.4
394.52908	1.5
397.13501	31.5
398.13770	2.4
415.14502	12.8
607.26788	2.1
685.11670	1.6
687.32385	1.9
705.33563	2.7
843.39502	2.0
902.41461	1.7
981.53070	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	981.543
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	20.3
71.04901	1.8
72.99190	2.8
73.02813	3.2
78.95756	1.5
80.96438	1.2
81.03307	2.0
83.00305	1.2
83.01273	2.6
83.04894	1.4
85.02832	4.5
87.00762	6.3
89.02319	16.7
93.03358	1.5
95.01258	2.3
95.04912	1.6
96.95899	5.6
97.02841	4.5
97.06466	4.0
99.00780	1.4
101.02322	12.0
101.93399	1.6
109.06454	2.4
111.00751	1.6
111.08067	2.7
113.02316	8.7
119.03396	3.7
125.02345	7.8
131.03413	2.0
134.04605	1.9
143.03418	1.9
151.11215	5.4
158.20320	1.3
161.04460	3.0
163.11115	1.7
165.12755	6.8
169.12242	2.3
171.10194	3.1
179.05518	4.7
179.10710	2.0
181.12268	3.6
183.13882	2.9
191.10643	1.9
191.14294	2.1
195.13814	8.0
197.11710	1.7
205.12234	2.2
209.11797	17.0
211.13330	5.2
221.06668	2.1
223.13350	5.8
227.12814	10.7
235.08212	4.0
245.19124	6.0
255.23409	2.1
263.20166	6.8
265.82446	1.5
275.20111	4.6
277.21765	2.9
289.18005	10.4
291.19785	1.9
293.21228	100.0
294.21622	6.8
305.17575	1.4
307.19171	38.7
309.20673	2.6
323.18723	1.6
357.89377	1.4
379.12613	2.9
397.13489	28.6
415.14771	9.0
467.75110	1.5
485.68271	1.6
516.82288	1.6
589.24683	3.8
607.26099	9.6
687.32263	3.2
705.33563	8.1
883.46820	11.4
981.52832	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	981.543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	0.9
71.01261	14.9
71.04885	1.0
71.58034	0.6
72.99177	1.4
73.02821	1.7
75.00758	0.7
78.95794	0.9
79.28152	0.6
81.03342	1.5
83.01271	1.3
83.04896	0.8
85.02824	3.7
85.37067	0.6
87.00757	3.2
89.02324	11.0
89.05083	0.6
95.04928	1.2
96.95862	1.4
97.02833	2.0
99.00758	1.3
101.02330	10.8
106.04129	0.7
109.06485	6.6
111.04403	2.3
111.08044	1.8
113.02332	6.7
119.03385	3.7
123.08057	0.9
125.02349	4.7
125.09667	0.6
127.07547	1.3
137.09676	0.8
143.03398	2.8
143.10634	1.0
145.06483	1.1
149.04520	0.8
149.09593	0.9
161.04442	2.5
165.12784	0.7
167.10664	1.2
171.10181	2.1
179.05539	4.5
179.14349	0.9
181.12230	1.0
195.13820	7.4
205.12419	0.6
209.11813	3.3
211.13321	1.1
221.06650	2.2
223.13348	5.0
223.16957	0.6
225.11301	1.2
235.08191	3.9
245.19167	3.5
253.09270	1.8
256.13116	0.9
266.50867	0.7
271.17105	0.8
275.20081	5.0
277.21878	0.8
287.07639	1.2
287.16708	0.9
289.18112	86.3
290.18500	6.2
291.19635	6.2
293.21240	100.0
294.21561	6.5
305.08749	2.1
307.19186	6.8
309.20764	4.9
318.36087	0.8
323.09784	0.8
369.51434	0.7
379.12445	2.8
397.13522	33.3
398.13766	2.3
415.14578	14.4
416.15329	0.8
565.38928	0.8
599.89172	0.8
669.31445	0.9
687.32953	2.1
691.35339	1.0
970.36554	0.7
981.54291	2.2
982.55005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99684	5.3
69.03323	3.1
69.37999	11.6
71.01254	50.4
72.00770	2.2
72.99171	4.6
73.02821	13.0
81.03331	2.6
81.34644	1.8
82.02861	5.4
83.01263	18.1
83.04897	2.6
84.04404	2.6
85.02831	15.3
87.00747	7.9
89.02313	26.0
94.02819	1.9
96.95910	2.4
97.02776	3.7
98.02351	3.6
99.00773	7.0
99.03147	1.9
99.04393	3.3
100.03922	62.8
101.02325	21.4
103.03909	1.8
109.02807	2.7
110.02361	8.8
112.03246	1.7
112.03913	9.7
113.02327	5.9
119.03385	1.6
122.02418	1.8
124.03934	6.3
125.02333	9.2
127.03914	9.8
128.03462	3.2
131.03404	15.5
135.02846	2.0
140.03438	7.7
141.81831	1.7
142.04997	5.6
143.03407	2.9
145.04984	8.3
149.04402	2.0
154.05011	2.1
158.90405	1.4
166.04939	2.9
184.05981	2.2
191.05518	6.1
202.07185	11.1
205.06979	2.5
211.13536	1.7
247.08324	2.3
257.39352	1.5
334.85788	1.5
391.30194	5.2
455.31711	2.7
742.45190	4.1
804.45502	9.7
874.49640	5.1
892.51196	2.3
936.30322	2.5
936.49664	86.5
937.50146	16.9
980.48639	100.0
981.49426	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	981.195
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35014	3.2
83.01256	0.5
89.02276	0.3
93.03340	0.7
107.01288	1.3
108.02050	0.4
109.02843	1.4
117.03300	0.4
119.01288	0.4
121.02866	0.5
132.02127	0.3
135.00763	0.9
143.04872	0.3
145.02930	0.3
148.01578	0.4
151.00261	3.4
153.01842	0.8
155.04889	0.3
156.20505	0.3
157.06468	0.4
159.04428	1.0
163.00296	2.0
169.01320	0.4
169.06566	0.4
171.04408	0.7
178.99785	1.1
183.04443	0.8
185.06020	1.6
187.03955	2.0
189.05542	0.5
195.04364	0.5
197.05994	0.6
199.03845	0.4
201.05557	0.5
211.03845	2.2
212.04692	0.5
213.05530	1.1
224.39850	0.3
226.02725	0.6
227.03461	16.6
228.03914	0.9
229.05042	6.1
239.03540	1.2
240.04233	0.5
241.05028	1.1
243.02916	2.0
252.95589	0.3
254.02132	0.5
255.02991	41.8
256.03540	3.2
257.04547	4.3
267.02863	0.5
271.02496	9.3
272.02847	0.7
283.02637	0.7
284.03281	54.6
285.04037	63.1
286.04388	2.9
298.62933	0.4
300.02771	15.3
301.03506	9.5
306.07565	0.7
369.49445	0.3
370.68491	0.3
447.09320	20.3
448.09662	1.0
489.10413	100.0
490.04422	0.5
490.10831	6.9
507.71606	0.3
533.18903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03308	2.1
71.01260	21.1
71.07484	2.0
72.99191	9.2
73.02840	3.9
75.00743	2.8
83.01252	4.2
83.04903	0.8
84.70147	0.8
85.02830	5.3
87.00748	12.1
89.02321	10.5
93.03364	0.8
95.01266	1.2
96.95892	7.4
97.02839	1.8
99.00748	5.0
101.02319	10.8
101.52740	0.7
102.72165	0.7
102.72903	0.7
109.02847	2.3
111.00760	2.2
112.17339	0.7
112.98706	7.7
113.02340	5.8
115.00261	12.5
119.03382	2.9
121.02842	0.7
121.10132	0.8
123.04368	1.1
124.98689	3.8
125.02331	5.8
129.01836	1.6
131.03392	1.8
135.02864	1.4
137.02373	2.0
139.03883	0.9
141.01730	0.9
142.99763	20.6
143.03397	2.0
145.01332	2.3
145.04959	1.3
149.02293	1.0
151.00304	0.9
151.03943	1.2
157.01282	1.1
161.04457	1.8
161.05861	0.9
163.07582	1.5
169.08588	0.9
173.00856	4.7
174.01617	15.3
175.02420	20.5
175.03906	1.5
179.05536	3.7
183.13820	8.3
193.12263	1.7
202.01147	0.8
203.07266	0.7
205.04988	1.4
209.11769	1.2
211.13350	100.0
211.71440	0.8
212.13644	3.2
221.06662	1.7
223.13371	2.4
225.96877	0.7
235.08228	2.9
235.13336	0.9
245.08205	1.2
245.11945	0.9
253.14186	1.0
263.12775	2.2
287.07602	1.4
289.07224	5.0
299.01971	0.8
300.02853	1.0
305.09048	1.0
323.10095	1.1
329.15958	4.9
379.12384	5.9
383.11386	1.3
397.13470	22.3
398.14212	1.2
415.14603	5.1
450.46661	0.8
520.29114	0.8
533.29651	3.1
534.29907	1.1
552.41876	0.9
591.26544	12.2
592.26666	1.1
609.27667	14.3
610.28253	1.4
785.39923	5.0
803.40210	4.4
829.70111	1.0
831.39807	0.8
841.39575	1.9
859.39899	5.8
873.41632	1.3
877.41663	1.8
897.42169	1.2
899.39685	4.3
917.40045	2.4
929.39905	0.8
945.40631	1.6
959.41095	3.1
962.45288	0.8
977.41412	8.5
978.40491	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	977.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	16.5
71.57498	5.3
72.99174	7.6
75.00789	3.4
79.71754	2.5
83.01267	3.3
87.00768	4.3
88.98737	4.1
89.02287	14.1
90.31847	2.8
97.02795	2.9
101.02335	11.6
111.04388	2.8
113.02356	6.9
119.01233	3.1
125.02333	3.9
133.60052	2.7
141.01700	4.1
160.93848	2.9
161.04515	3.1
171.10149	4.7
179.05569	4.6
190.34300	2.8
195.13710	5.7
198.69122	2.5
207.10089	3.3
209.11833	8.0
211.13350	67.7
223.13350	3.7
235.08284	3.8
242.47371	3.0
253.09264	3.4
275.20200	8.8
289.18121	7.0
293.21240	100.0
294.21411	5.0
307.19226	6.3
397.13608	35.2
398.13971	4.2
415.14502	15.9
591.26630	3.8
609.27435	8.0
779.22443	3.3
977.51569	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	977.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46429	9.7
83.01263	5.5
89.43522	1.0
98.19835	2.4
101.88608	1.0
107.01274	12.9
108.02048	1.5
109.02864	2.1
121.02856	8.4
125.02348	2.0
133.02867	1.2
135.00835	1.4
146.08907	1.1
147.04381	1.4
149.02396	2.9
151.00278	46.7
160.03935	10.0
161.04282	3.2
162.39308	1.1
163.00281	2.7
163.03960	1.4
164.01036	1.5
169.01318	3.6
171.04514	2.3
175.00282	2.5
175.03865	1.3
178.99762	23.3
190.02621	1.5
191.03537	1.4
193.01395	1.7
199.03951	5.4
201.01903	1.1
205.04929	1.2
211.03993	1.9
215.03467	3.5
226.02582	1.2
227.03477	4.5
243.02956	12.3
244.03406	1.7
245.04463	1.8
254.02213	1.8
255.02960	20.7
256.03381	1.8
257.04434	1.3
269.04562	1.3
271.02472	91.5
272.02863	6.9
273.04050	3.5
283.02435	2.5
294.57968	1.1
297.03967	1.3
299.01965	73.2
300.02734	100.0
301.03510	96.6
302.03891	4.9
313.03699	1.4
314.04413	1.3
315.05005	6.1
353.08755	1.4
422.45270	1.3
433.07764	3.2
463.08829	2.3
542.13098	1.7
543.13318	2.5
582.75726	1.1
609.14630	70.3
610.14899	6.6
668.13794	12.9
669.03290	2.0
669.14581	37.1
670.15088	4.4
759.51886	1.4
771.20593	1.5
815.20721	10.9
977.25751	36.3
978.26160	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	971.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	5.1
71.01259	36.6
71.04905	2.6
71.57558	3.2
72.99201	4.9
73.02827	7.5
74.03104	2.3
77.35969	3.3
82.07778	2.4
83.01252	4.3
85.02831	9.9
87.00758	7.8
89.02326	25.8
96.95889	3.0
97.02853	5.1
97.06493	4.6
99.92478	6.7
101.02348	24.6
107.87493	2.7
111.00759	3.8
113.02330	12.4
116.92751	51.0
119.03420	8.9
119.07326	2.6
123.04396	4.1
125.02357	8.2
125.09602	8.9
137.09598	5.8
148.45074	2.5
148.50241	2.5
161.04466	8.4
163.11203	6.2
165.12747	2.7
167.10687	3.7
171.10167	3.0
179.05524	9.3
179.14317	6.3
185.11781	7.2
191.14317	7.4
195.13826	11.1
201.11288	12.6
205.12350	12.1
207.10245	6.4
209.11832	18.7
211.13390	3.2
223.13367	100.0
224.13708	3.6
235.08195	7.4
245.19179	15.4
274.65945	2.5
277.21796	4.4
289.18124	58.7
293.21396	3.5
307.19165	65.7
308.19482	3.5
309.20743	2.9
309.60547	3.0
379.12296	4.2
397.13498	54.7
415.14590	15.6
483.12854	2.9
513.19165	3.2
560.43542	3.5
593.26324	2.8
603.26617	4.4
610.58508	2.9
621.27887	8.9
691.63690	3.0
795.38971	12.2
813.39209	4.0
911.46216	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	971.5953
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	1.5
69.73952	0.3
71.01259	17.2
71.58720	0.3
72.99169	1.3
73.02830	2.6
75.00719	0.4
81.03320	0.8
83.01257	1.4
83.04936	0.3
85.02830	3.3
87.00767	3.4
89.02322	15.3
93.03333	0.3
95.01272	0.6
97.02834	3.3
99.00745	1.1
101.02333	12.3
105.67418	0.4
111.04409	0.6
111.08025	0.3
113.02335	6.1
116.92713	0.9
119.03391	4.4
121.02856	0.4
124.66228	0.3
125.02348	6.4
131.03365	0.8
133.04938	0.5
139.03862	0.6
141.01865	0.5
143.03410	2.3
149.04445	0.4
161.04482	3.4
167.10825	0.4
179.05544	3.1
179.14317	0.9
195.13831	9.2
196.14587	0.7
205.12241	0.8
205.15753	0.3
211.13298	0.8
217.07158	0.4
221.06660	1.5
223.11391	0.5
223.13396	6.0
224.13763	0.4
228.13538	0.9
235.08218	7.2
253.09203	1.6
256.13135	1.2
261.22290	0.4
263.07690	0.3
265.21658	0.5
275.20172	3.9
276.20557	0.3
277.09296	0.5
277.98254	0.3
279.23303	48.1
280.23660	2.3
287.07706	2.4
293.21243	100.0
294.21603	5.3
305.08734	2.7
323.09927	0.7
361.11209	0.4
397.13535	69.8
398.13809	2.7
415.14600	22.6
416.14984	1.1
420.64874	0.4
677.37177	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	971.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	1.9
69.94296	7.6
71.01257	79.8
72.01596	1.4
72.99191	8.6
73.02826	13.9
74.98796	1.5
75.00755	2.6
81.03326	4.2
83.01261	6.0
83.04912	3.2
85.02827	33.9
87.00748	3.2
87.04404	2.8
89.02320	33.7
96.95897	5.6
97.02856	1.8
99.00745	6.8
99.04420	3.2
101.02338	12.3
103.03907	4.8
109.02847	2.2
111.04414	3.6
113.02307	5.4
119.03377	3.6
119.08563	64.7
120.08949	1.5
121.10165	7.9
125.02327	2.2
126.54798	1.8
127.03944	3.0
131.03374	4.3
133.06512	2.3
137.09636	2.7
145.04901	1.8
161.09795	1.9
163.07545	20.9
163.11139	1.5
165.09125	8.9
167.10706	5.3
181.08629	4.9
183.10173	8.7
207.10219	2.1
209.11794	2.5
309.13425	2.9
311.14911	3.6
313.12888	6.5
315.14478	4.3
327.14493	5.3
329.15979	10.5
345.15604	4.0
368.13788	1.5
475.23557	1.8
477.24728	2.0
495.26050	2.1
499.17001	1.8
533.29700	2.3
621.29529	2.2
625.29120	3.4
639.30237	13.8
655.29529	2.1
657.31274	18.7
785.36652	2.0
797.35114	2.2
803.38580	4.2
923.42725	10.9
935.43329	19.3
941.43793	55.6
942.44092	7.8
953.43854	100.0
954.44165	14.7
971.29791	1.8
971.45306	24.2
972.44812	5.5
1006.82312	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	971.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46407	4.5
69.46829	2.5
71.01260	9.1
72.99172	1.7
73.02825	1.0
75.00755	1.5
83.01264	1.2
85.02841	4.1
87.00729	1.7
87.11456	0.8
89.02316	7.4
93.03339	5.1
96.95918	1.8
98.20591	1.5
101.02321	4.4
108.02086	1.8
109.02859	2.1
113.02316	3.0
116.92735	1.2
119.03387	1.2
119.04908	0.8
121.02856	5.8
121.04115	0.8
122.03640	15.2
123.00781	1.1
123.04448	1.8
124.01496	0.9
125.02348	1.8
127.03853	0.8
131.03404	1.8
133.02859	2.2
134.03642	2.5
134.04590	1.2
135.04390	1.4
136.01570	12.0
137.02354	8.3
139.03976	0.9
143.03423	1.1
146.03658	1.4
149.02357	24.6
149.04341	1.2
149.05974	1.3
150.03143	98.9
151.00269	4.6
151.03941	15.9
151.43665	0.8
152.01070	1.3
152.04651	1.1
161.02344	0.8
161.04565	1.0
161.06067	0.7
161.94324	0.8
162.03143	5.8
163.03908	0.8
164.04703	4.4
165.01865	10.3
165.05498	100.0
166.02640	11.6
166.05827	3.6
167.03363	1.2
175.03954	2.9
176.04634	0.8
177.01857	2.1
177.05482	4.6
179.03418	2.6
179.05693	1.0
179.07056	4.4
180.04213	12.2
181.04993	14.9
192.04253	1.3
194.05826	1.2
195.06569	68.0
196.06949	2.3
205.05029	2.6
207.06587	1.4
209.11766	1.2
211.13464	0.8
219.06761	1.0
225.07605	4.2
284.03201	0.9
289.07184	1.1
299.02148	0.8
300.02881	1.4
304.47656	0.8
313.03601	1.4
329.10361	1.3
357.09744	1.6
357.13672	1.1
372.12265	1.6
373.12875	2.9
383.90717	0.7
386.14136	0.9
387.14639	12.1
417.15628	8.0
421.15048	6.9
508.33618	0.8
535.17578	2.2
565.20807	14.9
566.21075	1.1
595.21887	2.7
613.22668	9.6
614.23053	1.6
667.24121	1.3
713.26019	2.1
743.27936	2.5
761.27881	5.8
762.29401	1.0
791.30334	1.8
809.30206	9.8
810.30432	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
68.58342	0.6
71.01250	5.7
71.57363	1.0
72.99182	1.0
73.02826	1.1
75.00758	1.5
76.25092	0.7
85.02842	3.1
86.87929	0.7
87.00764	1.5
89.02312	3.9
93.03329	6.1
95.01267	1.5
96.95909	1.7
99.00771	1.2
99.04398	0.8
101.02325	3.1
104.13136	0.7
105.67525	0.7
107.04900	1.0
108.02061	2.5
109.02824	4.9
113.02349	2.8
115.00257	0.7
119.04929	2.2
121.02843	8.2
122.03632	15.4
123.00779	2.0
123.04433	3.0
124.01524	1.1
125.02369	1.7
131.04868	0.8
132.02077	0.9
133.02843	3.3
134.03600	6.6
135.04408	4.1
136.01569	9.6
137.02336	9.3
138.02982	0.8
139.03917	2.3
139.07491	0.7
144.67027	0.8
145.02863	2.0
146.03645	2.9
147.04401	1.6
148.01663	0.9
149.02353	36.8
149.05977	4.5
150.03133	100.0
151.00307	4.4
151.03934	20.2
152.01039	3.1
152.04625	1.5
153.01802	2.2
158.03619	0.9
160.01624	1.8
161.02327	1.6
161.06038	1.2
162.03091	2.1
163.03940	1.9
164.04721	6.0
165.01852	4.8
165.05487	91.5
166.02634	10.8
166.05838	3.0
167.03424	2.5
175.03914	3.2
177.01874	1.2
177.05510	3.1
178.02592	1.7
179.03406	2.2
179.07060	7.6
180.04230	7.5
181.04991	12.0
181.08609	1.5
184.03607	1.2
187.03893	1.2
189.05359	0.8
191.03577	0.8
191.05493	1.7
191.07111	0.8
192.04198	0.7
193.04974	3.0
194.05711	1.2
195.06560	45.0
196.06880	1.3
202.02644	1.4
204.03906	0.7
205.05014	4.6
206.05704	0.9
207.06456	1.4
219.06563	1.3
220.07425	3.4
225.07654	2.3
235.06073	1.2
251.12599	1.0
256.07034	0.6
267.07184	0.6
295.11841	1.2
300.02722	1.0
301.03845	0.9
315.08652	1.4
329.10294	1.9
329.16138	1.0
337.09216	1.2
343.11636	1.1
355.11771	0.7
373.12787	3.9
387.14676	6.5
402.13226	1.1
403.13840	1.2
416.14694	1.1
417.15555	8.7
421.14813	2.7
467.21347	1.4
468.21411	1.3
491.21191	1.8
531.15063	1.0
535.15778	1.2
564.19849	2.7
565.20685	22.8
566.20923	3.0
573.16302	1.0
595.21759	3.6
613.22943	10.8
614.23328	1.0
619.21759	0.8
667.23419	2.1
675.18610	0.9
713.26001	15.0
714.26019	2.8
743.15033	1.0
743.27069	9.1
744.26959	1.0
761.28180	16.4
762.28149	2.5
773.28271	1.7
791.29535	6.0
792.28564	1.1
809.30212	17.6
810.30365	4.0
911.45660	0.9
941.37762	1.0
971.35968	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	971.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	0.8
71.01257	10.8
72.99185	1.1
73.02835	1.6
75.00759	1.1
78.19080	0.7
78.95789	0.9
85.02821	3.4
87.00745	2.7
89.02321	7.8
93.03334	4.7
95.01298	0.8
96.95886	1.5
99.00780	1.2
101.02315	3.8
107.04900	0.8
108.02058	2.3
109.02849	2.6
111.04405	0.8
113.02346	3.7
116.92700	0.9
119.03408	3.1
119.04849	0.8
121.02850	7.2
121.06488	0.7
122.03629	15.5
123.00824	1.3
123.04392	1.1
124.01577	1.0
125.02348	2.1
131.03372	2.1
133.02824	2.1
134.03662	1.9
134.04619	1.4
135.02971	0.9
135.04466	2.1
136.01559	13.3
137.02365	6.5
139.03947	0.9
143.03391	1.0
145.02831	0.9
145.04984	0.8
146.03627	1.3
147.04384	1.0
149.02354	23.3
149.04419	1.9
149.05951	2.3
150.03136	98.2
151.00375	4.1
151.03938	16.5
152.00990	1.3
152.04613	1.2
153.01807	1.2
160.01570	1.4
161.02361	2.2
162.03160	6.9
163.03911	1.2
164.04707	4.8
165.01857	11.5
165.05489	100.0
166.02643	12.4
166.05783	3.9
167.03305	1.6
175.03934	1.8
177.01865	2.3
177.05518	6.2
179.03470	2.6
179.05527	2.2
179.07057	4.9
180.04202	12.9
181.04997	15.1
182.05270	0.8
190.02638	1.2
191.05452	1.1
192.04256	1.0
193.04962	1.0
195.06564	81.1
196.06895	2.7
205.04955	3.1
205.06799	1.0
207.06569	2.2
209.11740	1.6
210.05350	1.5
220.07249	1.3
225.07657	5.5
271.02353	0.9
299.01990	1.3
299.05515	1.8
300.02640	1.2
329.10077	0.9
357.09637	2.5
357.13489	1.8
372.12134	1.8
373.12827	2.6
387.14557	13.1
388.15021	0.8
402.12857	0.8
403.14081	1.0
417.11099	0.8
417.15720	8.2
418.15866	0.9
421.14969	7.4
422.15237	1.0
447.09451	1.1
466.54358	0.8
479.21887	1.1
535.17529	1.6
557.62946	0.8
565.20715	18.2
566.21252	1.4
583.20380	1.1
595.21765	2.8
613.23004	13.0
614.23352	2.0
667.23572	1.3
713.25977	2.2
725.26819	1.5
743.26703	2.1
761.27863	6.0
762.29144	1.1
773.28021	1.2
791.28644	1.6
809.30219	11.5
810.30408	2.0
839.31494	1.3
971.36871	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	969.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.5
71.01257	44.3
71.22626	1.1
72.99169	6.8
73.02831	16.9
75.00752	1.8
79.54986	1.2
81.03345	5.9
83.01272	4.8
83.04902	4.5
85.02828	29.4
87.00774	2.5
89.02324	12.0
93.06922	1.4
96.95903	4.9
97.02827	1.7
99.00770	4.9
99.04420	3.7
101.02325	15.0
103.03902	6.4
108.02035	1.4
109.02848	3.7
111.04404	2.7
113.02348	1.8
119.03391	1.8
119.08562	24.3
121.10135	9.4
125.02323	2.1
127.03918	3.2
137.02251	1.6
155.21249	1.2
161.04594	1.3
163.06262	1.7
163.07520	6.1
163.11241	2.1
165.09132	10.8
167.10709	5.5
171.10155	1.9
174.01614	1.4
175.02438	1.2
175.64514	1.2
181.08615	3.3
183.10208	6.6
197.34718	1.3
207.10138	2.3
209.11795	2.0
216.88759	1.5
307.19061	1.3
309.13455	2.3
309.20642	1.8
311.15149	3.3
327.14502	4.5
329.16022	16.7
330.16309	1.8
359.69156	1.5
477.24936	1.7
596.35724	1.4
621.29602	1.9
623.30237	1.4
639.30371	10.8
640.30884	1.8
641.31573	8.2
657.31189	4.7
745.37280	2.1
939.45917	3.8
951.45776	26.2
952.46637	5.1
969.47083	100.0
970.47198	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	969.5795
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23515	0.9
69.03302	0.9
69.12141	0.7
71.01255	11.1
71.37852	1.1
72.19591	0.8
72.99177	1.1
73.02814	1.4
75.14910	0.8
77.11871	0.7
83.04903	0.8
85.02807	3.6
87.00748	2.6
87.64923	0.8
88.98672	1.2
89.02320	7.7
96.95882	0.8
97.02832	2.0
99.92445	1.1
101.02325	8.6
101.71183	0.8
113.02343	5.3
113.09597	1.7
116.92756	7.5
119.03378	3.7
125.02316	3.2
131.03381	1.0
133.17566	0.8
143.03395	1.6
161.04553	2.1
179.05550	3.0
179.14384	1.7
181.12154	1.3
195.13838	17.0
196.14163	0.9
209.11685	0.9
221.06598	1.1
223.13368	4.5
235.08247	2.4
253.09242	0.8
275.20129	3.8
277.21753	12.9
278.22015	1.1
287.07675	0.9
293.21237	76.9
294.21603	6.2
295.22787	100.0
296.23080	6.4
303.96399	0.8
323.10260	0.9
325.18399	2.3
379.12375	2.0
397.13480	26.5
398.13916	1.3
415.14609	15.2
459.53085	0.8
571.43744	2.3
682.19916	0.9
691.35638	1.6
693.36835	1.7
904.75745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4714
Annotation	Sublanceoside H2
Peak:m/z	Relative Intensity
69.03328	1.0
69.32280	0.8
69.95302	3.5
69.95721	2.5
71.01258	36.3
72.77959	0.9
72.99185	4.8
73.02822	14.1
81.03347	4.8
83.01258	5.7
83.04902	2.5
85.02827	19.8
87.00761	1.7
89.02322	8.6
96.95898	1.4
97.02814	1.3
99.00748	3.8
99.04379	3.8
101.02327	8.9
103.03905	6.0
109.02836	3.0
111.04408	2.1
113.02287	1.3
119.03403	2.1
119.08565	21.2
121.10130	8.1
127.03904	2.8
137.09558	0.9
145.04965	2.5
163.06284	0.9
163.07555	4.9
165.09152	7.9
167.10706	6.3
179.10648	1.0
181.08597	2.5
181.12257	1.7
183.10199	4.8
211.13321	1.2
250.07805	1.0
309.13409	2.4
311.14963	2.3
327.14413	3.9
327.21909	1.2
329.15985	12.8
329.23267	1.8
345.15552	1.7
437.25568	1.0
495.25885	1.1
604.67181	1.1
623.30157	1.2
639.30194	4.3
641.31854	6.5
657.31616	4.4
764.75903	0.9
778.00470	0.9
807.42645	1.5
897.88666	1.1
939.45526	2.1
951.46155	27.0
951.65625	1.5
952.46222	3.3
969.47058	100.0
970.47418	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	969.231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	0.8
71.01250	1.8
71.57990	0.7
73.02785	0.6
79.65463	0.4
81.03337	1.1
83.01251	0.4
85.02830	1.7
89.02383	0.4
93.03330	0.7
95.01259	0.9
97.02839	0.5
99.00765	0.6
101.02287	0.4
107.01297	0.5
108.02056	40.0
109.02854	13.6
113.02327	0.6
119.01271	1.1
121.02840	1.7
123.00785	1.0
125.02319	0.9
135.00766	1.5
135.04420	0.9
137.02295	0.5
140.31660	0.4
147.00734	0.8
148.01546	0.7
149.02351	3.4
150.03116	1.4
151.00276	2.2
151.03897	0.9
152.01062	44.1
153.01866	11.1
161.02419	0.7
163.03912	1.2
164.04718	2.0
165.01868	0.9
165.05466	1.2
166.02786	0.4
167.03433	1.0
175.00291	6.2
176.01079	6.6
178.99809	0.9
179.07042	0.4
190.02644	14.5
191.03419	11.3
193.01375	0.5
194.02147	0.6
195.02867	0.5
199.03967	0.6
205.05013	9.9
208.03665	0.5
209.04521	1.6
223.05998	1.8
227.03473	1.6
229.05083	0.6
239.03464	0.5
243.02991	1.7
245.04271	0.4
251.05464	0.4
255.02966	5.1
256.03201	0.9
271.02484	7.2
272.03064	0.6
273.07648	0.8
284.03317	2.4
285.04056	3.8
286.04306	1.3
300.02774	10.4
301.03531	5.9
302.03738	0.7
315.07217	9.2
315.14728	0.7
353.08832	1.7
367.10721	0.5
447.09302	11.8
448.09656	0.9
489.10504	1.6
490.10779	1.2
491.11023	1.0
521.13007	100.0
522.13367	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	969.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	35.6
71.44908	1.3
71.45226	1.2
72.75342	1.0
72.99168	3.4
73.02824	15.4
81.03320	5.6
81.39723	1.1
83.01269	3.4
83.04897	1.2
85.02827	22.4
89.02316	9.3
96.95867	7.5
97.02842	1.4
99.00768	4.4
99.04386	3.2
101.02307	10.6
103.03894	5.1
107.08506	1.1
107.93378	1.0
108.02116	1.2
109.02831	3.1
113.02264	1.4
119.03387	1.7
119.07756	1.4
119.08564	21.0
120.08880	1.1
121.10130	7.3
127.03902	2.7
137.29904	1.1
145.04991	1.8
163.07544	6.3
163.11201	1.3
165.09149	10.2
167.10681	4.2
181.08641	1.2
183.10178	3.7
207.10229	1.2
209.11813	1.6
309.13406	2.2
311.14978	2.1
327.14389	3.2
329.16016	19.4
477.24994	2.2
495.25473	1.5
533.29321	4.4
639.30151	5.9
641.31824	6.7
657.31268	4.7
939.45508	1.8
951.45929	28.5
952.46411	3.9
969.46991	100.0
970.47473	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	967.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97192	0.3
69.03316	1.8
69.96836	2.2
70.18922	0.3
71.01256	26.2
72.99193	2.1
73.02817	3.8
75.00728	0.6
77.87853	0.4
81.03323	1.5
83.01263	2.9
83.04908	0.6
85.02821	5.6
85.99941	0.5
87.00755	6.3
89.02319	22.5
91.03896	0.5
95.01249	1.5
95.04894	0.5
96.95873	1.1
97.02835	5.2
97.06485	0.5
99.00763	1.7
99.04383	0.4
101.02322	19.0
103.03843	0.5
111.00748	0.7
111.04385	0.8
113.02331	9.8
115.03918	0.5
119.03394	6.2
119.04937	0.4
121.02854	0.8
123.04443	0.4
125.02341	8.4
127.03889	0.4
131.03447	0.6
133.04959	0.7
139.03889	1.0
141.01848	0.7
143.03389	4.2
149.04428	1.1
150.10399	0.5
161.04482	5.2
163.11201	0.7
165.12749	10.2
169.04948	0.5
176.11937	0.4
179.05547	4.1
185.04427	0.7
191.14293	0.4
209.11783	1.1
211.13371	1.1
217.07182	1.0
221.06541	1.8
227.12785	0.5
235.08209	11.4
236.08372	0.5
242.80258	0.4
245.06795	0.4
247.20634	4.4
253.09262	2.7
259.20718	0.4
263.07425	0.9
273.18503	2.7
275.20056	0.4
277.21722	62.1
278.22025	2.7
287.07687	3.2
291.19675	32.2
292.19904	1.8
305.08807	4.1
309.20673	0.8
323.09668	0.9
379.12604	0.9
397.13504	100.0
398.13809	4.0
415.14578	34.4
416.14957	1.4
675.35962	3.0
978.25439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99701	0.2
69.03321	0.7
71.01254	6.8
72.99177	0.8
73.02818	1.0
78.95776	0.4
81.03336	0.2
82.47488	0.2
83.01254	0.6
85.02816	1.8
87.00760	1.9
88.78867	0.2
89.02320	5.8
95.01269	0.6
95.04870	0.2
97.02815	0.9
97.21118	0.2
98.19798	0.3
99.00764	0.7
101.02324	5.6
109.02811	0.3
110.47147	0.2
111.04369	0.2
111.08017	0.3
113.02328	3.2
113.09573	0.2
119.03396	1.6
125.02348	1.7
131.03398	0.3
143.03427	0.9
161.04463	1.2
162.71268	0.2
167.10606	0.4
171.10213	0.4
179.05548	1.8
179.14305	0.7
181.12279	0.3
195.13837	8.3
196.14363	0.6
201.11351	0.3
205.12289	0.7
205.15941	0.5
207.10201	0.2
209.11729	0.5
211.13347	0.5
221.06561	0.8
223.13329	5.4
225.11305	0.3
225.14853	0.4
228.13757	0.8
231.21103	0.4
235.08221	1.9
253.09285	0.4
255.23245	0.6
256.13217	1.1
263.07718	0.2
265.21655	0.6
273.03058	0.2
275.20151	5.5
277.21820	0.3
284.57214	0.2
287.07715	0.5
293.21222	100.0
294.21552	5.5
305.08786	0.5
309.20813	0.2
317.21085	0.3
323.09827	0.5
335.22211	0.2
379.12418	0.6
397.13501	15.1
398.14093	1.0
415.14578	9.4
415.19022	0.1
416.14917	0.7
417.45685	0.2
483.27283	0.6
569.42224	1.3
653.18689	0.2
654.26825	0.2
673.34351	0.5
691.35498	1.7
949.54572	0.3
1001.99268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5643
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01757	0.4
67.77139	0.4
69.03339	2.4
71.01260	19.0
72.01591	0.4
72.99191	1.5
73.02827	2.9
75.00757	0.4
75.16012	0.4
80.02556	0.6
81.03343	1.2
83.01258	2.0
83.04888	0.8
85.02835	5.4
85.03303	0.7
87.00759	3.8
89.02325	16.5
93.03330	0.5
95.01266	1.4
95.04921	0.4
96.93069	0.4
97.02833	8.5
97.06451	0.8
99.00778	0.9
101.02330	14.3
107.04893	0.4
109.06467	0.7
111.00790	0.6
111.04435	0.7
111.08055	4.1
113.02343	8.4
115.03905	0.4
119.03409	4.4
119.08539	0.6
125.02350	6.4
125.05963	0.5
125.09625	1.0
127.07587	0.7
131.03386	0.8
137.09622	3.0
138.88391	0.3
143.03416	2.7
149.04430	0.7
153.12810	0.8
155.68239	0.4
161.04515	3.5
163.11211	1.3
165.12769	2.5
167.10683	0.4
169.12236	2.0
171.10199	6.3
172.10687	0.4
179.05533	4.7
179.10692	0.5
179.14369	0.8
181.12292	1.6
183.13823	1.3
185.11826	0.6
193.12286	1.6
193.15947	1.0
195.13928	0.7
197.11790	19.4
198.12126	0.6
199.13347	1.4
209.11758	1.6
211.13345	5.3
217.07040	0.6
221.06602	2.8
221.11714	1.0
223.13335	0.8
227.12839	2.3
229.57053	0.4
235.08235	5.4
239.12869	0.8
247.20744	2.6
253.09306	1.0
259.20737	0.4
263.07617	0.5
263.20078	1.9
265.18283	0.5
273.18576	1.9
277.21741	45.5
278.22003	3.8
287.07791	2.0
291.19687	34.7
292.20032	2.5
305.08884	2.1
309.20731	100.0
310.21094	6.8
323.09952	0.6
328.22363	0.6
333.20847	0.8
351.21790	0.6
379.12488	2.8
397.13538	31.2
398.13647	1.8
403.62491	0.4
415.14594	12.6
416.14929	0.9
569.41406	0.5
621.98633	0.4
689.33582	0.7
707.34857	1.5
897.45349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99708	0.6
69.02971	0.6
69.03315	3.0
70.88513	1.4
71.01257	26.0
72.99200	2.5
73.02818	3.6
78.34235	0.4
81.03336	1.4
83.01280	2.5
83.04894	1.0
85.02822	5.5
87.00755	6.1
89.02322	20.0
94.36382	0.5
95.01273	2.1
95.04916	0.4
97.02828	6.8
97.06474	0.5
99.00752	1.6
101.02326	18.6
101.62521	0.5
108.04749	0.5
109.06530	0.6
111.00776	0.6
111.04398	1.0
111.08044	8.0
113.02345	9.7
119.03395	4.5
125.02338	7.9
131.03398	0.9
137.02295	0.5
137.09645	0.7
139.03928	0.6
143.03423	2.9
151.11177	0.8
161.04445	5.3
163.11198	0.9
165.12744	2.1
167.10670	0.5
169.12215	3.3
171.10184	2.2
179.05563	5.6
179.10744	0.6
180.71085	0.4
181.12308	1.3
183.13847	0.8
185.11613	0.4
193.12314	0.6
196.02750	0.5
197.11771	39.1
198.12170	1.6
199.13332	2.2
201.97095	0.5
207.13820	0.7
209.11772	1.6
209.15375	0.8
211.13353	7.1
217.07065	0.7
221.06503	2.8
221.11862	0.9
223.13226	0.9
225.14900	1.1
227.12952	2.4
235.08195	6.6
239.12958	0.7
247.20644	2.1
253.09244	1.4
263.07730	1.2
263.20224	3.8
265.18097	1.0
273.18484	1.2
277.21729	58.0
278.22000	3.1
287.07745	2.2
291.19684	31.7
292.19968	1.9
293.21283	1.1
299.17743	0.5
305.08838	2.7
309.20709	100.0
310.21136	4.8
311.86563	0.5
323.09824	1.4
333.20786	1.0
379.12418	3.9
397.13510	47.1
398.13708	2.3
415.14600	18.8
416.15186	0.9
516.13239	0.6
569.42499	0.6
675.36707	0.8
689.33801	2.2
707.34680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.7
69.38013	2.6
69.38438	3.8
71.01262	14.9
72.22850	0.6
72.99183	1.6
73.02825	2.9
73.79428	0.6
78.95813	1.2
81.03336	0.7
83.01255	1.6
83.04884	0.8
85.02843	4.0
87.00777	3.4
89.02330	13.1
90.02609	0.6
91.72752	0.6
95.01282	1.3
97.02828	2.0
98.20526	1.3
99.00734	0.9
101.02331	11.9
109.06469	0.7
111.08056	7.1
113.02340	6.4
119.03394	3.6
125.02362	4.5
131.03391	0.7
141.01636	0.7
141.31659	0.7
143.03415	1.9
161.04474	2.5
167.10747	1.2
171.10194	1.2
177.12782	1.6
179.05519	5.0
179.10640	1.4
179.14268	0.7
187.42084	0.6
195.13857	12.2
196.14285	1.0
205.00642	0.7
209.11740	1.2
211.13361	1.4
221.06670	2.3
223.13399	5.6
225.15019	0.7
228.13678	0.8
235.08168	4.0
247.20697	1.2
250.44447	0.8
253.09206	0.9
254.67238	0.7
255.23589	0.8
256.13251	2.0
267.77155	0.8
275.20087	5.1
277.21802	1.7
279.23322	9.9
289.18195	1.0
291.19690	83.1
292.19937	5.7
293.21255	100.0
294.21579	6.6
305.08832	1.6
307.19156	0.8
323.10025	1.2
374.18536	0.6
379.12387	2.6
397.13547	34.6
398.14105	1.0
415.14636	13.8
416.15009	1.2
447.25229	4.8
509.25974	0.7
520.25916	0.7
671.32971	2.7
689.34235	5.9
690.34564	0.9
691.35419	1.1
965.54706	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	965.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03340	1.6
69.56027	6.7
71.01257	19.5
71.04899	0.9
72.99176	2.1
73.02832	3.1
78.95740	0.9
81.03329	1.4
82.95271	1.6
83.01282	1.4
83.04936	0.9
85.02821	4.8
87.00761	4.7
89.01814	1.6
89.02321	15.6
95.01276	1.3
95.04926	1.0
97.02830	2.5
101.02332	13.6
109.06472	6.1
111.04427	3.3
111.08018	1.3
113.02340	7.4
119.03406	4.5
119.08540	1.8
123.08053	1.3
125.02344	6.4
125.09666	1.0
126.41622	0.7
137.09599	0.8
139.03871	0.8
141.01865	0.8
143.03401	3.3
143.10718	1.0
145.06494	1.3
161.04474	3.2
163.11301	1.4
167.10715	1.4
179.05495	4.2
181.12112	0.9
195.13869	1.5
209.11758	2.1
211.13422	2.0
221.06625	2.1
235.08212	4.8
245.19066	3.5
248.30083	0.8
251.16431	1.3
255.23268	0.9
271.17062	1.5
277.21735	57.9
278.22049	2.9
287.07858	1.2
287.16406	1.7
289.18118	100.0
290.18454	4.6
291.19855	1.2
305.08942	1.9
307.19162	4.1
309.20679	1.4
323.09641	1.4
327.21616	1.2
328.22089	1.6
379.12598	5.8
397.13559	41.7
398.13922	2.8
415.14639	13.7
416.14719	0.9
564.82428	1.1
669.31421	1.8
687.33264	1.6
717.44324	0.9
947.53668	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	965.548
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00138	0.4
68.99693	0.7
69.03314	1.2
71.01254	15.9
71.04885	1.3
72.99178	1.5
73.02815	2.1
78.95790	0.8
81.03333	1.9
82.95288	0.7
83.01261	2.9
83.04908	0.9
83.55162	0.6
85.02824	3.6
87.00763	3.6
89.02317	14.5
95.01274	1.8
95.04925	1.5
97.02815	2.8
98.03637	0.5
98.20593	0.6
99.00770	1.1
101.02331	12.5
102.95930	0.4
103.00240	0.5
106.04127	1.0
109.02858	0.8
109.06478	7.4
111.00768	0.6
111.04385	2.1
111.08044	0.8
113.02335	7.2
118.00403	0.4
119.03394	4.2
123.04419	0.7
123.08060	1.3
124.01676	0.4
125.02339	4.4
127.07515	1.3
131.03392	0.6
137.09589	0.9
143.03400	3.1
143.10698	0.8
145.06485	1.3
149.09621	1.2
151.02769	0.5
156.33685	0.5
161.04495	3.6
163.11217	1.0
165.12822	0.5
167.10690	1.8
175.11153	0.7
177.12929	0.6
178.01344	0.4
179.05553	5.2
179.10721	0.9
181.12254	0.6
191.14323	1.0
195.13857	2.4
209.11737	0.9
211.13345	0.9
212.22911	0.4
213.14937	0.6
217.07066	0.6
221.06628	1.4
225.11298	0.6
235.08188	4.5
235.13344	0.9
241.14453	1.3
245.19116	5.0
251.16396	1.0
253.09212	1.3
255.23248	2.7
255.25597	0.6
263.07657	0.7
271.16971	1.3
273.14944	0.8
277.21732	44.9
278.22089	2.7
287.07770	1.7
287.16531	1.7
289.18106	100.0
290.18503	6.1
291.19583	0.9
293.21387	0.5
305.08893	1.8
307.19202	7.2
308.19559	0.6
309.20630	0.6
323.09933	0.9
331.19025	0.8
333.80820	0.4
379.12381	4.9
397.13501	33.3
398.13824	1.7
415.14578	10.1
669.32086	0.7
687.32648	1.6
877.50885	0.7
905.51019	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	965.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	1.1
71.01258	42.6
71.04891	0.9
71.57354	1.4
72.01581	1.3
72.99191	4.8
73.02828	13.3
75.00751	1.3
81.03313	3.8
83.01280	5.0
83.04888	2.0
85.02834	21.6
85.03349	1.1
87.00742	2.0
89.02318	12.2
95.01270	1.4
96.95911	2.3
97.02815	1.2
99.00752	8.5
99.04398	3.5
101.02326	13.8
103.03888	6.6
108.02051	1.2
109.02822	5.2
111.00805	0.8
112.63950	0.8
113.02327	4.9
119.03392	2.2
119.32655	0.8
121.02859	2.3
121.10111	10.1
123.00815	0.8
123.04408	1.4
125.02332	1.9
127.03901	2.7
131.03398	0.9
134.03636	2.2
135.04442	1.6
137.02353	1.6
143.03482	1.0
143.04497	1.0
145.04973	4.8
147.05624	0.7
149.02351	1.4
150.03151	4.3
151.03917	0.9
152.01060	1.7
153.01828	2.9
158.03606	1.5
159.04411	4.2
160.01550	1.4
160.05229	12.5
161.02376	1.4
161.04492	1.1
161.05992	4.1
163.03946	6.3
163.06035	2.1
164.04654	3.1
165.01808	0.9
165.09160	3.8
173.05980	1.3
175.03964	2.4
175.07574	9.3
177.05533	3.5
178.06313	6.0
179.05591	1.0
190.02602	0.9
191.05536	1.8
193.04994	2.2
193.08517	3.9
202.24979	0.8
202.35954	0.9
212.01833	0.8
213.09068	0.9
285.17093	1.1
300.02890	1.0
301.03568	1.1
306.07639	2.5
315.12057	1.0
327.14014	1.0
329.16522	100.0
330.13181	1.0
330.17084	5.7
341.10931	2.6
359.15146	5.4
400.69983	1.0
448.08786	0.9
457.68579	0.8
491.12054	2.1
521.20459	1.0
635.23291	5.6
637.24884	1.4
653.24518	72.9
654.24707	9.3
658.92242	0.9
965.38544	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	965.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99666	1.9
69.03329	1.5
69.92945	3.4
69.93352	5.1
71.01253	11.5
72.51457	1.4
72.99181	2.3
73.02836	2.7
76.03097	1.5
81.03336	14.9
83.01258	14.6
85.02818	4.3
87.00761	2.5
89.02317	11.2
93.03337	7.0
95.01277	5.7
95.04896	9.9
97.02831	14.4
99.00779	1.9
99.04404	6.1
101.02315	8.7
104.85130	1.7
107.01241	1.5
107.04924	5.5
108.02034	2.8
109.02834	9.1
110.55354	1.6
111.04397	6.9
113.02322	6.8
119.03385	4.1
119.04922	18.6
121.02826	8.8
121.06407	1.8
123.00751	2.7
123.04416	29.1
125.02338	34.1
134.03622	1.9
135.04427	11.3
136.01579	2.1
137.02338	23.8
137.05971	6.8
139.03912	11.7
147.04420	5.7
149.02367	11.5
149.06009	2.6
150.03130	2.8
151.00275	2.5
151.03938	13.9
153.01843	3.1
153.05444	3.3
155.03436	2.3
161.02370	2.8
161.13272	4.9
162.03152	2.1
163.00249	2.4
163.03888	7.0
164.04735	8.7
164.05946	1.8
165.01860	8.1
165.05475	8.4
166.02608	5.5
167.03413	44.9
168.03735	1.9
175.00282	8.9
175.03821	1.7
176.01059	3.1
177.01828	5.2
177.05495	3.6
178.02716	1.6
179.03413	19.6
179.05505	4.6
179.06924	1.9
180.04071	2.6
181.05003	3.5
189.01768	1.9
189.05530	2.6
190.02644	27.8
191.03398	9.2
193.04938	4.3
197.04494	13.1
205.04985	27.3
205.12325	8.7
207.02870	4.9
209.04506	46.1
210.04961	2.4
219.02867	2.0
221.04521	6.8
223.06085	9.7
227.03468	2.4
239.05583	25.0
249.11307	13.5
251.05624	2.3
255.02919	1.6
269.06644	5.4
271.02533	7.9
284.03287	3.2
299.01993	5.7
300.02695	6.5
301.03391	5.4
313.03479	2.5
367.10159	3.9
417.07852	1.7
429.17636	17.3
505.09595	4.6
540.95703	1.7
683.19952	5.3
713.20575	4.3
725.20862	100.0
726.21490	12.1
737.20789	4.5
755.21899	86.8
756.22046	10.3
761.23846	1.8
767.21454	3.8
785.22980	31.2
786.23785	4.5
797.22308	1.7
827.23926	11.8
828.24445	2.2
845.25378	13.6
857.25159	9.6
875.26495	5.0
965.29559	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	965.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	2.2
69.03327	4.8
69.70946	3.7
69.71360	6.8
71.01256	6.1
73.02819	2.5
77.03858	1.6
81.03339	16.9
83.01257	17.5
85.02825	3.2
89.02321	2.8
93.03339	6.5
95.01280	6.3
95.04887	7.3
97.02840	10.5
99.04404	8.4
101.02351	3.4
107.04911	6.7
109.02849	11.7
111.04428	5.1
113.02349	5.4
119.04913	15.7
121.02859	9.5
123.00809	2.5
123.04414	30.6
125.02335	33.4
135.04431	7.3
136.01564	2.5
137.02348	20.9
137.05992	4.6
138.03108	2.6
139.03905	14.3
147.04424	5.3
149.02351	14.5
149.06026	1.7
150.03136	2.7
151.00334	1.7
151.03903	12.3
153.05533	3.4
155.03333	2.1
161.02313	3.5
162.03017	2.0
163.00328	1.8
163.03917	7.7
164.04710	9.6
165.01840	5.5
165.05447	7.2
166.02687	2.0
167.03418	50.6
175.00293	7.8
175.04024	2.6
176.01088	3.1
177.01872	5.0
177.05499	4.2
178.02637	2.6
179.03444	23.6
179.07045	3.7
180.04153	2.4
181.04990	5.3
189.05518	1.9
190.02652	30.1
191.03348	10.8
193.04984	3.7
197.04474	10.9
205.05022	31.9
205.12306	3.9
207.02901	5.7
207.06393	2.3
209.04495	52.5
218.37743	1.6
219.03017	2.8
220.03461	1.5
221.04533	4.8
223.06114	10.8
233.04474	2.3
239.05630	24.0
249.11276	4.3
251.05579	2.1
269.06689	7.8
271.02481	5.2
299.01819	4.1
300.02664	3.3
301.03622	4.1
367.10342	6.5
429.17535	5.9
505.10449	3.8
519.14410	1.8
683.20074	3.4
713.21216	4.2
725.20874	100.0
726.21155	13.8
737.20398	3.5
755.21967	91.9
756.22412	16.3
767.21918	4.7
779.20947	1.9
785.23071	32.7
786.23041	3.7
797.23334	2.3
827.24127	12.2
839.23145	2.0
845.25507	16.9
846.25543	4.1
857.25415	8.5
875.26495	4.9
947.28632	3.3
965.29095	7.9
966.30377	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	963.6866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45302	3.7
71.01244	1.4
72.99155	0.5
81.03337	6.4
83.04401	0.8
83.04902	16.0
85.02821	0.8
87.00764	0.5
93.03362	0.5
108.04410	0.7
113.02318	0.9
125.02294	0.9
125.07088	1.0
150.03078	0.5
151.03880	0.4
161.02373	0.4
175.03963	0.5
205.92378	0.4
207.14935	1.1
210.73613	0.4
224.17674	3.0
225.16031	9.4
225.18112	0.8
227.03319	0.5
242.18741	0.7
255.02910	0.7
284.03018	0.6
285.04053	1.9
306.07861	0.6
309.21692	0.4
341.29095	1.2
367.27060	0.8
412.12155	0.4
425.13852	0.4
432.07321	0.4
433.31683	1.3
441.68457	0.4
450.34610	1.3
451.32849	8.5
452.32410	0.5
489.10248	1.3
491.21362	1.5
492.21805	0.5
550.43353	0.9
567.46228	0.5
677.49634	1.4
903.66516	100.0
904.66895	20.6
947.20984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	2.9
71.01257	40.8
71.12817	1.8
71.13137	3.2
72.99174	2.1
73.02837	4.9
75.00736	2.0
81.03349	2.8
83.01277	5.0
83.04918	5.7
84.02047	2.1
85.02830	8.7
87.00764	7.0
89.02327	31.9
92.00984	1.5
95.01268	3.1
95.04939	3.7
97.02845	6.3
97.06472	2.4
99.00782	1.9
99.04433	2.3
101.02334	27.7
111.04412	2.7
113.02358	13.8
117.50578	1.5
119.03435	9.7
125.02337	10.2
125.09628	4.1
127.07586	3.8
127.94699	1.9
128.59676	1.6
131.03383	1.8
133.05020	1.5
135.08058	2.1
142.47049	1.6
143.03412	4.2
153.09119	19.1
154.09528	2.4
156.24908	1.9
161.04483	6.2
163.11230	3.0
171.10190	30.6
179.05551	7.0
185.11732	3.2
191.10858	2.3
197.11824	5.1
209.11772	42.3
210.12091	2.7
211.13335	2.1
221.06531	2.5
235.08267	8.7
238.12035	2.4
245.19106	2.8
255.23296	100.0
256.23679	6.4
289.18152	12.3
297.20706	3.5
305.09042	2.4
307.19159	76.0
308.19519	5.0
325.20227	64.8
325.24136	2.4
326.20605	5.4
379.12512	7.7
397.13547	85.8
398.13724	3.5
415.14548	19.7
653.37561	6.4
687.32373	8.2
705.33685	11.4
874.49951	2.8
917.56494	2.0
943.56439	22.4
944.56830	5.4
961.57330	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	963.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01273	0.6
77.93700	0.4
78.95779	25.9
90.97990	0.4
96.25874	0.4
96.96867	1.9
99.59717	0.4
111.30051	0.4
150.97916	0.6
152.99501	40.5
171.00562	9.8
195.14044	0.4
209.11786	1.6
211.13295	0.9
223.13298	0.5
227.03220	2.8
227.12883	0.5
230.38490	0.7
233.11633	0.6
245.04303	55.9
246.04604	1.5
253.21727	26.5
254.22017	1.2
293.21210	1.6
397.14127	0.4
445.94522	0.5
481.25748	100.0
482.26059	7.2
897.82965	0.5
958.53247	0.5
963.51770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5902
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	2.4
71.01259	18.0
72.99185	1.9
73.02818	2.3
81.03348	0.8
83.01261	1.8
83.04897	0.7
84.02026	0.7
85.02823	8.2
87.00751	3.4
89.02320	13.8
95.01263	1.6
95.04921	0.4
97.02833	3.8
97.06452	2.4
98.20592	0.6
99.00738	1.1
101.02326	12.4
111.04403	0.9
111.87418	0.4
113.02334	5.8
119.03404	3.7
121.02834	0.7
125.02348	4.4
125.09611	0.9
127.11184	1.5
131.03366	0.8
134.06749	0.4
136.88106	0.3
137.09618	1.8
138.09978	0.4
139.03883	0.5
143.03407	2.3
155.10718	0.7
161.04475	2.9
165.12811	0.7
171.10182	20.3
172.10597	1.0
177.12784	0.5
179.05492	3.4
183.13896	2.2
185.11742	0.6
193.12268	0.7
197.11748	0.7
201.11253	1.3
203.10889	0.4
209.11768	1.3
211.13359	10.4
212.13669	0.7
221.06596	1.1
221.11780	2.0
227.12727	0.5
229.14404	6.7
235.08167	5.2
239.12851	1.6
253.09154	0.6
255.23268	35.7
256.23648	2.3
263.07693	0.6
277.21591	0.4
287.07724	1.4
291.19766	3.7
305.08868	1.6
305.17529	0.5
309.20706	7.6
323.09781	0.8
327.21765	100.0
328.22089	6.0
379.12662	0.7
397.13501	51.1
398.13843	3.0
415.14578	14.5
416.14938	0.9
508.05536	0.4
541.69458	0.4
565.44666	1.7
653.37677	5.0
654.37823	0.5
666.44342	0.5
707.34857	4.3
708.35242	0.5
725.36115	2.6
741.82690	0.5
909.41724	0.4
963.58862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.539
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	1.5
71.01257	15.9
72.99191	1.2
73.02817	2.4
76.25127	0.4
78.95756	0.5
81.03327	0.7
83.01270	1.5
85.02818	3.5
87.00765	3.5
89.02325	11.7
95.01268	1.3
96.95927	0.5
97.02825	1.9
98.19737	0.9
99.00751	0.7
101.02326	10.3
109.02837	0.5
111.04356	0.6
113.02350	5.8
119.03383	3.8
121.02892	0.6
125.02333	5.9
130.32919	0.4
131.03426	0.7
139.03905	0.5
141.01605	4.1
143.03380	1.8
149.04550	0.5
161.04471	3.6
167.14395	0.7
171.10181	0.8
175.07703	0.4
179.05553	3.3
181.12326	0.4
183.13841	7.5
193.12328	1.3
199.05984	0.4
211.13345	100.0
212.13637	3.1
217.07191	0.7
221.06677	1.6
229.52997	0.5
235.08160	4.4
237.46094	0.4
251.05406	0.4
253.09329	0.5
255.23251	0.6
277.21722	48.1
278.22061	2.3
280.64267	0.4
287.07715	1.5
297.69620	0.4
305.08908	2.1
305.11853	0.4
309.20667	0.4
323.09918	1.1
327.21756	2.1
379.12457	10.1
397.13510	34.3
398.13840	1.4
415.14536	8.1
415.19888	0.6
591.26654	8.4
592.26898	0.6
609.27771	7.8
657.34943	1.2
675.35846	2.4
869.49988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.1
71.00902	1.3
71.01257	17.8
72.99168	1.5
73.02823	2.2
78.95768	0.7
81.86366	0.6
83.01254	2.1
83.04912	0.6
85.02835	4.3
87.00759	5.7
89.02319	13.4
91.03916	0.7
95.01264	1.0
96.95882	2.0
97.02825	2.7
99.00771	1.1
101.02331	12.7
107.76898	0.5
110.41435	0.6
111.04388	0.6
113.02335	8.3
119.03384	4.5
125.02341	5.9
133.04987	0.6
136.63139	0.6
139.03839	0.9
141.01643	0.9
143.03427	2.4
152.99564	0.7
161.04478	4.1
171.10188	1.0
179.05566	3.5
183.13844	6.0
193.12283	1.9
209.11856	0.9
211.13354	100.0
212.13707	3.6
217.07159	1.0
221.06534	1.2
235.08171	4.7
239.48256	0.6
253.09306	1.0
255.20885	0.7
255.23314	1.3
277.21732	59.0
278.21939	3.0
287.07733	2.5
301.09103	1.1
305.08777	2.6
323.09778	1.2
325.20230	0.7
327.21619	0.9
379.12485	12.1
397.13507	44.0
398.13992	1.9
415.14603	8.2
535.27197	0.7
591.26587	7.3
609.27832	6.4
657.35132	2.4
675.35663	4.0
812.75195	0.7
869.50085	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	961.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63516	0.6
89.02332	0.9
93.03336	0.8
98.20579	1.3
103.71050	0.5
107.01269	3.4
117.03351	1.1
119.04925	0.7
125.02382	0.7
132.02063	0.8
143.04921	0.7
145.02837	1.5
151.00278	5.9
153.01823	0.7
159.04384	1.4
161.02373	0.7
163.00290	0.8
163.03987	1.1
163.82306	0.6
169.01309	1.8
171.04485	0.9
175.00307	1.1
178.99771	2.7
183.04425	4.0
187.03969	0.9
190.02597	3.5
199.03983	1.2
205.01312	0.8
205.05025	1.4
211.03909	3.8
227.03459	28.8
228.03957	0.9
229.05014	1.3
239.03326	0.8
243.02937	1.0
255.02977	81.1
256.03540	7.0
257.04636	1.9
269.04721	0.8
271.02551	3.2
283.02478	64.8
284.03259	77.0
285.04013	28.6
286.04391	1.7
298.04785	1.7
299.02310	1.0
299.05588	3.4
300.02707	4.0
301.03430	2.9
313.03439	1.7
314.04276	1.3
315.05148	0.9
326.04419	1.7
327.04971	1.1
353.08789	1.3
429.08313	1.0
447.09607	4.8
448.09741	0.8
495.22754	1.6
513.23340	1.4
514.11414	0.7
593.15112	100.0
594.15460	11.0
607.16736	2.7
623.16418	2.2
635.15973	2.6
652.14362	9.5
653.14429	2.6
918.25104	0.7
961.26184	17.1
962.26453	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	961.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03340	1.1
69.69285	0.6
71.01252	1.8
81.03323	1.2
81.28564	0.7
85.02848	4.2
85.19864	0.8
88.90429	0.7
93.03323	0.9
95.01269	2.4
101.02319	0.8
108.02063	50.5
109.02853	32.9
110.03186	1.1
111.04416	4.0
113.02325	1.0
121.02866	3.1
123.00774	1.8
125.09627	0.7
151.00293	2.7
151.03873	1.1
152.01074	58.3
153.01860	21.1
163.03868	1.5
165.01906	1.9
178.99846	1.2
181.08606	1.0
243.02934	1.0
255.03091	4.2
271.02441	7.5
272.03271	1.0
297.06229	1.5
300.02798	13.6
301.03421	5.6
315.07297	5.0
399.31464	0.7
408.10629	2.4
409.11530	1.1
463.08905	15.8
464.09329	1.7
467.15518	11.4
479.15613	79.7
480.15884	6.1
495.08746	0.9
497.16699	100.0
498.16992	10.8
566.42352	0.8
740.37451	1.0
758.35956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.3
68.99686	0.5
69.03324	0.7
71.01262	14.4
71.58082	0.4
72.99189	5.6
73.02819	2.2
75.00756	11.9
79.29126	0.3
83.01273	2.4
84.02034	0.3
85.02832	15.0
86.03157	0.4
87.00759	3.9
89.02325	3.9
93.03339	0.6
95.01262	2.1
96.95906	0.4
97.02824	1.9
99.00188	0.3
99.00771	3.8
99.52377	0.3
101.02345	3.6
103.00266	2.2
107.01281	0.9
108.02053	0.4
109.02842	1.2
111.00755	0.6
113.02345	17.1
115.00275	1.1
115.03924	0.3
116.01014	0.3
117.01832	1.0
119.03397	0.4
119.04900	0.4
121.02858	0.7
125.02353	0.5
129.01826	1.1
130.99774	0.3
131.03401	3.2
133.01320	0.5
148.01585	0.3
149.02380	0.3
149.04451	0.4
150.03134	0.4
151.00296	3.9
153.01813	0.4
157.01317	1.0
163.00272	0.5
163.02557	0.4
163.03934	0.3
165.05466	0.4
168.93434	0.3
169.01430	0.4
173.04471	3.1
175.02394	2.4
175.03828	0.5
176.63063	0.3
178.99799	1.5
191.05550	1.0
193.03491	12.0
195.76889	0.3
199.03934	0.3
209.11746	0.9
211.03938	0.4
217.03488	0.5
227.03542	0.4
228.04109	0.3
235.04559	7.7
236.05064	0.5
243.02971	1.5
245.04515	0.6
254.02191	0.6
255.02992	6.0
256.03427	0.4
271.02502	9.9
272.02914	0.9
273.03986	0.5
283.02539	0.5
299.01935	0.5
300.02783	19.9
301.03540	16.3
302.03809	0.9
310.70355	0.2
329.15964	0.3
337.07767	5.4
355.08896	3.1
366.88840	0.3
396.60681	0.3
447.09357	33.6
448.09750	3.1
465.19849	0.4
477.19617	0.5
501.55072	0.3
509.22430	100.0
510.22772	10.2
611.94897	0.3
875.81537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.3
71.01256	53.5
71.35461	1.7
72.99186	7.4
73.02821	11.3
75.00741	2.4
78.74193	1.1
80.86230	1.0
81.03321	3.7
82.29627	1.1
83.01263	7.3
83.04878	2.0
85.02819	28.4
87.00758	2.5
87.58895	1.2
89.02319	20.6
99.00766	5.2
99.04406	2.1
101.02324	13.4
103.03894	3.9
108.02076	1.5
109.02823	2.0
111.04431	1.5
113.02382	2.8
119.03381	1.7
119.07742	2.3
119.08556	25.2
121.10126	8.7
127.03857	1.1
131.03391	2.9
163.07558	6.0
163.11206	1.7
165.05452	1.4
165.09134	8.0
167.10718	6.3
181.08624	3.3
183.10226	6.0
191.05663	1.1
209.11778	1.6
226.24895	1.3
285.53745	1.4
297.13510	1.4
309.13364	1.7
309.48392	1.4
315.14517	6.1
327.14511	3.4
329.16080	8.6
345.15500	2.9
391.75739	1.2
625.28540	2.2
627.30243	5.1
639.30267	3.3
641.32336	2.2
657.31055	2.4
925.44489	2.0
937.44470	22.1
938.44714	4.6
955.45483	100.0
956.45789	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	955.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	2.8
69.46510	8.8
71.01258	53.6
72.01646	1.0
72.99167	4.0
73.02494	1.1
73.02824	12.2
80.67307	0.9
81.03320	3.1
83.01265	5.9
83.04892	1.2
85.02341	1.9
85.02828	24.7
87.00728	1.2
89.02324	22.4
96.95883	1.6
97.02850	1.2
99.00759	4.8
99.04398	2.0
100.77637	1.0
101.02329	8.6
103.03902	3.2
109.02820	1.2
109.06544	1.0
111.04395	2.9
113.02315	4.0
119.03395	1.2
119.07749	2.1
119.08559	23.8
120.08926	1.1
121.10134	10.7
125.02272	1.3
127.03890	1.2
131.03381	3.0
139.11185	1.4
149.04425	1.2
163.07552	4.7
163.11139	1.1
165.09129	9.4
167.10703	5.7
181.08661	2.4
183.10190	6.5
184.10506	1.0
207.10210	2.1
209.11829	1.5
309.13449	2.9
311.14893	2.0
315.14514	8.2
327.14478	2.7
329.15994	4.6
345.15659	1.3
437.34299	1.1
609.29797	1.4
627.30554	4.9
627.39166	1.3
639.30182	6.2
657.31281	4.7
925.43854	1.7
937.44501	24.0
938.44073	2.9
955.45465	100.0
956.45624	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	953.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47649	1.6
69.03339	2.3
69.37634	4.6
69.38055	12.9
71.01259	66.2
71.04889	1.9
72.99189	9.3
73.02823	23.8
78.95763	2.1
81.03341	7.0
83.01270	7.2
83.04897	6.4
85.02832	37.3
87.00744	3.1
87.46820	1.8
88.98646	1.9
89.02323	17.5
96.95877	2.5
97.02831	3.1
99.00752	6.2
99.04422	6.3
99.92451	4.0
101.02338	19.5
103.03895	8.6
108.02039	2.6
109.02855	3.8
116.07187	1.7
116.92764	32.3
117.92747	2.0
119.03403	3.2
121.10124	23.9
125.02386	3.1
127.03876	2.8
139.11240	2.0
165.09143	15.8
167.10677	10.1
171.10182	2.2
183.10243	2.8
200.02113	2.1
201.11334	3.0
203.95097	1.8
207.10100	2.1
209.11771	7.0
246.62222	2.1
291.19791	2.6
297.26230	1.8
309.20663	3.0
311.14917	6.4
329.16092	45.8
397.13727	2.3
623.30511	9.0
641.31848	37.7
686.54822	1.9
791.42511	2.4
879.82977	2.2
953.47565	100.0
954.47534	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	953.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	55.7
72.99177	7.0
73.02818	19.4
78.95748	2.0
80.96380	1.6
81.03324	6.7
83.01244	6.5
83.04874	4.0
85.02823	32.7
87.00723	2.2
89.02321	12.9
99.00759	6.3
99.04382	6.0
101.02313	12.4
103.03876	11.1
109.02827	4.8
116.92750	9.2
119.03414	3.5
121.10114	19.3
125.02341	1.7
127.03903	3.3
132.92763	1.5
139.11224	1.8
145.04991	1.8
165.09125	15.9
167.10657	6.9
171.10110	2.2
183.10120	2.2
209.11844	6.4
211.13353	2.8
227.12628	1.6
229.40129	1.5
291.19592	2.5
303.22803	1.8
309.20627	5.5
311.14954	5.6
329.16037	38.3
330.16431	1.6
373.86465	1.6
397.13361	3.0
489.12030	1.5
531.37384	1.4
623.30853	9.6
624.31396	2.0
641.31647	36.6
642.32452	2.2
953.47467	100.0
954.48138	13.1
980.67847	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	955.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34434	2.1
69.03347	4.9
71.01258	100.0
71.57559	2.6
71.57938	2.9
71.78925	2.1
72.01600	2.4
72.99193	8.5
73.02820	25.0
75.00744	2.8
81.03339	4.3
83.01283	10.3
83.04963	2.4
85.02830	43.7
87.00790	3.9
89.02330	45.8
92.04948	5.5
96.95892	16.8
97.02832	2.5
99.00762	10.5
99.04392	3.6
101.02332	22.3
103.03876	5.5
107.08598	2.0
108.02069	2.2
113.02341	6.1
119.03394	5.9
119.08571	24.3
121.10133	20.3
122.10507	2.4
127.03939	4.0
131.03391	7.4
133.06485	2.5
136.03909	3.5
149.04491	2.4
163.07576	10.4
165.09169	16.4
167.10704	7.9
171.00684	2.2
175.02493	2.3
181.08617	4.5
183.10220	4.0
205.05107	3.2
209.11838	3.6
286.71396	2.5
311.14896	4.9
313.13004	7.7
315.14496	28.6
316.14838	4.1
329.16071	34.0
330.16479	2.7
342.16095	2.4
447.21130	2.5
477.25253	2.8
499.16791	2.6
507.28098	3.2
623.30817	6.2
625.28711	6.9
639.30237	59.7
640.30597	6.2
641.31885	42.0
657.31201	5.7
787.39606	8.9
805.86719	5.6
806.36047	3.2
925.44586	30.8
926.44751	4.8
937.44360	37.5
938.44714	5.2
955.45575	51.2
956.46112	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	952.215
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	1.2
71.06551	1.4
83.01264	1.6
85.02830	1.0
92.45753	0.6
93.03347	1.3
95.01273	1.2
96.00810	0.9
99.00746	0.9
107.01264	2.5
107.71091	0.6
108.02044	0.9
109.02837	6.9
111.00725	0.7
121.02844	1.9
123.00767	1.5
125.02355	2.9
130.08647	0.8
133.02837	1.7
134.02371	1.7
135.00818	0.7
136.01576	0.7
137.02322	5.1
138.02608	0.7
139.03870	0.6
140.03360	0.7
146.02402	0.9
147.00809	1.1
148.00476	1.1
148.01570	9.7
149.02351	4.6
150.03148	1.0
150.70154	0.6
151.00261	9.7
152.01064	0.8
153.01810	1.1
158.02293	0.9
159.04393	1.4
161.02353	2.6
162.01805	3.0
163.00281	3.8
163.02614	1.1
163.03951	1.1
164.00969	0.8
164.03435	3.4
165.01929	0.7
169.01297	1.1
175.00305	2.3
175.19147	0.6
176.03392	1.3
177.01859	19.7
178.99799	7.3
186.01892	4.3
187.03925	1.0
188.91399	0.7
189.05522	0.8
190.01425	2.3
191.02142	1.9
193.01309	1.0
199.03922	1.5
201.05568	1.6
202.01355	1.8
202.99811	3.1
203.02100	1.9
203.03703	0.8
204.02963	10.1
205.01341	1.2
206.04726	0.8
214.01312	3.8
215.03456	1.3
222.03825	0.8
227.03467	2.0
229.01312	0.7
230.00920	6.2
231.03091	1.4
233.04465	2.1
241.05040	0.7
242.02112	0.8
243.02971	4.4
245.04547	3.0
247.01035	0.8
255.03029	6.3
256.03351	1.1
259.02441	0.8
261.04092	0.7
270.01721	1.0
270.04230	0.9
271.02484	17.2
271.05438	0.8
272.03162	3.2
272.05667	0.8
273.04007	2.3
283.02426	0.8
285.04013	2.7
286.03903	0.9
287.01971	1.7
288.02551	1.2
291.05136	1.1
294.04123	1.8
296.05737	1.0
298.03577	1.2
299.01953	4.7
300.02704	26.9
301.03482	18.0
302.03775	1.8
312.05118	1.9
313.03577	2.8
315.01392	1.5
316.02017	5.7
316.05276	0.6
317.03024	10.0
318.03357	0.8
322.03616	4.9
327.07242	1.8
330.06143	0.9
339.03778	2.7
339.07248	2.5
340.00720	1.4
340.04623	17.0
341.04767	0.9
341.08856	1.0
350.08740	1.8
356.03726	0.9
357.04984	8.4
358.05673	10.9
368.09879	13.9
394.07776	15.1
395.94370	0.7
419.10043	0.7
437.10764	0.9
446.08725	2.2
447.09305	32.8
448.09814	4.4
460.12372	0.8
463.08765	8.2
464.09143	1.4
486.10507	8.9
502.09879	2.9
503.10373	3.3
503.21179	3.9
504.11523	100.0
505.11859	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	951.569
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54189	0.7
69.03332	1.0
69.11806	0.7
71.00891	1.2
71.01254	14.9
72.99187	1.1
73.02821	2.2
73.57695	0.8
80.96393	2.1
83.01245	2.2
85.02813	4.0
87.00763	4.2
89.02317	13.2
92.39753	0.7
94.19891	0.6
94.97997	0.7
95.01263	1.0
97.02809	2.4
98.04948	0.7
101.02323	10.7
113.02344	6.8
117.55048	0.7
119.03400	2.8
119.56647	0.8
124.01633	0.8
125.02338	4.9
131.03360	1.2
139.03856	0.8
139.26369	0.7
143.03381	2.3
153.03714	0.8
156.12564	0.6
161.04468	2.8
179.05519	3.1
195.13860	8.3
205.12245	1.3
211.13358	1.0
221.06625	2.4
223.13402	6.4
231.21152	1.0
235.08159	5.6
256.13107	1.5
275.20099	6.6
277.21738	39.2
278.22028	2.6
287.07748	1.7
293.21234	100.0
294.21533	6.3
305.08795	1.7
317.21295	1.2
378.69693	0.7
379.12454	3.2
388.97775	0.8
397.13516	28.6
398.13989	2.0
415.14624	11.2
734.10541	0.8
951.46405	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	951.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00895	1.4
71.01250	16.9
71.34797	2.5
72.99173	1.9
73.02821	3.2
79.38844	1.1
79.95604	3.2
80.95965	1.0
80.96397	4.6
82.75439	1.1
85.02831	4.0
87.00751	4.6
89.02313	11.9
94.22089	1.1
95.01279	1.4
95.82713	1.1
97.02847	2.1
99.00722	1.4
101.02320	11.3
113.02332	7.6
119.03395	3.8
125.02364	5.8
130.91924	1.0
140.21962	1.2
143.03421	2.0
161.04413	3.4
179.05544	3.1
179.14326	1.2
195.13882	7.3
223.13361	4.7
235.08173	4.9
263.07938	1.5
266.17105	1.2
275.20062	4.6
277.21729	42.9
277.37564	1.2
278.22055	3.1
287.07849	1.2
293.21228	100.0
294.21558	6.6
305.08807	2.1
379.12479	3.0
397.13522	36.8
398.13812	1.6
415.14539	11.2
570.83124	1.3
600.60840	1.3
637.14618	1.2
667.32678	1.2
675.35516	1.4
725.13666	1.2
951.45911	3.1
989.74005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	0.8
69.03317	1.0
69.49804	4.4
71.01257	47.5
72.01598	0.6
72.87490	0.6
72.99184	3.7
73.02818	9.2
75.00748	3.8
82.12912	0.6
83.01269	5.7
85.02827	22.1
87.00739	2.9
89.02320	22.6
93.03352	0.7
95.01279	1.6
96.95885	1.6
99.00764	8.0
101.02339	6.4
108.02135	0.8
111.00779	0.8
113.02337	10.1
115.00223	0.7
119.03391	1.4
119.04848	0.9
121.02846	1.2
121.10141	7.5
125.02312	1.1
131.03395	7.4
131.79158	0.6
134.03615	0.7
136.01579	0.7
137.02327	0.9
139.11086	0.6
147.04480	0.9
149.02376	1.5
149.04443	2.2
150.03165	3.2
153.01866	0.9
153.19725	0.7
158.03654	0.8
159.04417	2.2
160.05212	10.0
161.04634	1.0
161.05992	2.7
163.03949	1.8
164.04611	1.0
165.05452	0.9
165.09126	2.9
173.05995	1.2
174.01678	0.8
175.03984	1.5
175.07567	7.7
177.05522	2.3
178.06302	2.3
183.10257	0.7
190.02740	1.0
191.05521	1.1
193.08705	0.9
205.04985	0.8
255.02931	0.7
300.02774	1.4
315.14505	100.0
316.14880	4.1
329.13910	35.0
330.14282	1.8
341.10706	1.2
349.38147	0.6
359.15082	4.0
367.10196	0.7
447.09338	2.3
491.21329	24.6
492.21643	1.9
521.20551	1.3
635.23517	4.3
636.23138	0.8
637.24237	0.8
653.24506	49.5
654.24658	5.7
813.58691	0.7
937.38812	0.8
951.34888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43416	9.5
69.43842	15.0
71.01248	30.5
72.99193	6.3
73.02830	7.6
75.00786	7.5
77.70930	2.8
81.03338	3.2
81.54581	2.3
83.01273	5.0
83.04885	2.7
83.42854	2.6
84.99728	2.5
85.02834	10.8
87.00770	8.5
88.98661	4.1
89.02329	11.4
93.03341	6.5
96.95946	3.4
98.19702	4.6
101.02338	19.0
107.03530	4.3
108.02021	3.5
109.02843	7.0
109.59029	2.6
109.59776	3.0
112.98683	3.3
113.02351	11.7
115.00262	8.7
119.01285	6.3
119.04935	6.9
121.02861	11.9
122.03635	7.7
123.00713	3.3
123.04379	3.1
131.03369	5.2
132.02080	16.6
133.02902	4.2
134.03636	21.1
134.04637	65.0
135.02940	4.5
135.04326	4.6
136.01579	21.3
136.04030	3.0
137.02332	10.6
142.99765	4.1
143.03294	3.0
145.02821	4.4
145.06125	3.1
147.00783	3.5
147.04430	2.7
149.02347	27.4
149.05988	7.6
150.03140	65.5
151.00288	14.1
151.03915	19.4
152.01155	2.7
160.01576	53.1
161.02336	7.8
161.04449	3.3
163.03915	7.3
164.04723	16.9
165.01805	5.7
165.05510	58.5
166.02617	24.4
166.05820	3.2
174.01599	4.7
175.00339	27.9
175.02510	6.1
175.03928	58.4
177.05595	3.7
179.03305	4.0
180.04239	4.9
181.04976	26.3
181.08676	4.5
183.13852	11.8
189.05482	3.7
190.02654	71.3
191.03369	2.9
193.05009	16.4
195.06606	28.6
201.11353	4.5
205.05023	74.6
206.05466	3.0
209.11801	6.6
211.13353	26.1
212.13840	4.3
213.14868	6.9
223.06090	20.0
239.12938	6.0
241.14459	12.9
251.12842	7.4
258.86673	3.0
301.03561	4.0
315.14328	7.2
337.09247	72.8
338.09592	4.1
350.67105	3.4
357.13574	7.4
367.10352	100.0
372.12256	3.3
387.14600	20.4
397.13593	5.7
417.15616	11.8
533.16681	9.9
535.19421	15.8
563.17413	16.2
565.20776	12.3
583.21722	12.8
613.23260	6.4
635.34601	3.7
698.34888	3.3
699.35828	9.5
703.07935	3.1
703.72870	3.5
729.37805	4.9
951.31494	18.2
952.33661	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	951.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67462	9.8
99.09246	1.3
119.04928	1.6
151.00267	4.3
227.03433	1.5
243.02902	3.0
254.02277	1.5
255.03053	1.8
271.02499	35.5
272.02728	2.1
299.01968	57.3
300.02612	10.8
301.03534	26.5
302.03955	2.4
462.08081	12.4
463.08765	13.5
486.00842	1.5
499.26541	1.3
578.72290	1.4
625.14075	100.0
626.14526	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	951.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01262	16.8
72.84422	1.8
72.99169	2.2
73.02824	3.7
75.00756	3.2
83.01254	5.0
83.02387	1.9
85.02841	8.6
87.00735	3.4
88.98644	2.2
89.02322	5.4
89.13997	1.6
93.03367	4.3
95.01289	1.9
96.95903	3.3
98.19810	5.3
99.00764	3.7
101.02317	8.8
109.02809	1.8
113.02338	7.2
115.00253	1.7
115.50600	1.6
116.92734	2.3
119.01257	4.6
119.04922	5.8
121.02844	10.1
122.03619	13.5
123.04405	2.7
125.02319	3.2
131.03427	2.6
132.02075	3.6
134.03627	8.4
134.04634	14.6
135.04422	5.9
136.01540	18.7
137.02298	4.3
142.99825	2.5
143.03374	2.3
146.03693	2.6
147.00815	3.4
149.02357	35.6
149.04396	2.1
150.03145	70.7
151.00298	6.3
151.03949	14.8
160.01579	15.9
161.02350	2.6
161.05991	2.5
162.03197	2.7
163.03911	5.1
164.04691	19.1
165.01797	3.5
165.05492	59.3
166.02698	10.9
166.05827	2.1
174.01552	2.8
175.00301	27.9
175.02487	4.4
175.03867	18.0
177.01819	2.0
179.03386	3.3
179.07043	13.7
180.04169	5.0
181.05008	15.5
181.08618	2.3
183.13850	2.5
189.05457	2.8
190.02644	76.9
191.03163	1.9
193.05055	8.5
195.06573	27.7
205.05023	79.4
206.05473	4.0
208.03795	2.7
209.11740	3.9
211.13393	2.9
219.06647	2.0
223.06110	20.7
241.14456	4.1
300.02463	2.1
337.09186	16.0
357.13577	4.5
367.10339	100.0
368.10544	3.8
371.11102	2.4
372.12085	4.0
373.12820	3.2
387.10312	1.8
387.14529	13.5
397.13345	3.1
427.13937	2.6
533.16528	3.7
535.20154	11.5
563.17761	11.5
565.20795	5.5
583.22089	6.4
613.23199	2.1
755.25677	4.4
951.31488	18.7
952.34052	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	951.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40575	6.0
71.01255	3.7
72.00774	0.6
74.96921	0.7
78.08658	0.7
83.01247	1.2
85.02827	1.4
87.00722	0.7
89.02325	1.3
93.03333	1.5
98.19798	1.2
100.03913	2.8
101.02312	1.5
107.01279	1.9
112.03886	1.1
125.02318	0.8
132.02078	0.9
135.00679	1.2
150.77800	0.7
151.00262	2.0
153.01846	0.9
159.04446	0.9
163.00214	1.1
171.04512	0.8
173.04506	0.8
173.05995	0.8
178.99806	0.9
185.06029	1.6
187.03978	2.0
189.05591	0.9
197.05931	1.1
199.04031	1.0
201.05632	1.0
211.03955	2.4
213.05530	1.2
225.17487	0.6
227.03444	18.0
227.05679	0.9
228.03841	1.6
229.04997	6.5
239.03485	1.6
241.05037	1.1
255.02966	43.1
256.03549	4.0
257.04556	4.9
283.02249	1.1
284.03265	65.6
285.04019	74.2
286.04337	4.9
300.02707	1.6
301.03546	1.2
301.15564	0.8
305.92511	0.7
329.82233	0.7
447.09436	1.1
489.10391	100.0
490.10651	8.0
818.46881	3.1
819.47296	2.3
933.01294	0.7
950.50928	2.3
951.51788	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	949.6109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	1.0
71.01254	14.0
71.06377	0.8
72.01571	0.4
72.04559	0.4
72.99181	1.3
73.02822	2.1
75.00743	0.6
78.70546	0.4
78.95754	1.0
80.12391	0.4
81.03318	0.8
83.01234	1.8
83.04875	0.7
85.02811	3.3
87.00749	3.3
89.02324	12.7
95.01246	1.0
96.14535	0.4
96.95872	1.1
97.02827	2.6
99.00751	1.2
101.02326	9.9
104.54905	0.4
109.45879	0.4
111.04408	0.5
113.02328	5.2
113.09577	1.5
119.03386	3.6
121.02818	0.9
125.02346	5.6
139.03914	0.4
141.01768	0.5
143.03465	2.1
143.04404	0.7
149.04453	0.4
161.04451	2.9
171.10220	0.5
177.12811	0.8
179.05556	2.3
179.14310	0.9
181.12225	0.7
195.13850	13.0
196.14188	0.7
209.11740	2.5
211.13359	1.5
221.06599	1.1
235.08180	5.3
240.59415	0.4
253.09326	1.6
255.23276	34.0
256.23642	2.2
263.07684	0.8
277.21719	12.0
278.22220	0.9
287.07736	2.1
290.47913	0.4
295.22791	100.0
296.23093	5.6
299.01941	0.5
305.08777	3.1
323.10190	0.6
331.76450	0.4
397.13531	58.9
398.13824	2.6
415.14578	16.0
416.15143	1.1
427.07956	0.5
653.37750	3.9
708.41534	0.5
904.64771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01745	1.0
69.85297	4.7
71.01256	13.2
72.99184	2.2
73.02813	2.2
75.00749	9.6
85.02816	11.4
87.00754	3.5
89.02312	2.2
93.03339	8.1
95.01260	1.6
99.00739	2.8
100.59048	0.9
101.02322	3.1
104.97489	0.8
111.04389	3.1
113.02335	12.4
115.00235	1.4
117.03395	2.0
119.03374	1.2
119.04936	9.4
128.03383	1.8
129.01826	1.0
137.02322	3.3
143.04558	1.1
145.02876	8.3
155.03380	5.5
163.03918	9.1
170.33827	1.0
173.04475	31.6
191.05533	14.4
203.67519	1.0
233.06624	100.0
234.07072	4.1
299.05646	3.0
306.07681	2.1
319.08240	17.4
320.08298	1.5
324.02765	1.1
337.09314	2.9
379.10406	12.6
461.10892	1.4
506.37369	1.2
523.20331	77.3
524.20734	6.6
550.75208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	3.2
71.01255	38.4
71.01617	3.6
71.57656	2.4
72.99182	7.6
73.02816	4.8
74.38081	1.9
75.00745	4.6
75.29941	2.2
78.95768	2.6
81.03349	3.3
83.01249	4.6
83.04912	5.7
83.33920	2.4
83.44238	2.5
85.02834	9.6
87.00771	9.6
89.02322	22.9
92.04934	2.1
96.81221	2.0
97.02840	8.1
99.00769	3.9
101.02341	16.2
102.97900	2.0
109.06499	7.1
111.00761	3.6
111.04409	3.4
111.08055	3.7
112.98671	3.9
113.02331	8.9
115.00271	5.5
118.34269	2.1
119.03387	4.3
125.02326	6.6
125.09613	2.8
129.01839	13.1
130.02180	3.8
134.04095	1.9
135.02882	2.6
136.04010	3.8
137.02361	3.2
137.09625	4.4
142.99773	6.6
143.38747	2.0
161.04462	6.0
163.11209	6.5
164.05812	2.1
165.12752	8.1
169.12151	3.8
171.10155	13.2
173.00841	2.9
174.01628	8.8
175.02412	8.8
179.05563	7.3
197.11786	17.4
201.11229	2.6
207.10223	2.5
209.11777	100.0
210.12135	4.9
211.13358	30.9
225.11290	4.1
227.12840	17.4
235.08183	7.0
253.09242	4.1
289.18097	64.1
290.18381	5.4
291.19696	31.0
307.19131	10.3
309.20709	78.8
309.24283	3.9
310.21152	6.3
370.99600	2.2
379.12616	5.3
397.13474	40.1
398.13672	3.6
415.14621	17.1
442.81400	2.1
447.22787	5.2
598.67609	2.2
607.26001	3.4
707.34644	3.2
739.42352	3.3
753.98041	2.6
862.26794	2.7
911.11383	2.5
949.45361	4.3
983.46350	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	947.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.5
70.49668	1.2
71.01236	0.4
83.01273	0.7
85.02807	1.2
87.00739	1.2
93.03344	4.3
96.16071	0.4
103.39163	0.3
107.01280	1.5
108.19539	0.3
109.02851	1.4
111.04392	0.8
119.04889	0.8
121.02828	0.7
125.02353	0.5
125.95640	0.3
135.00725	0.4
149.02405	0.6
151.00285	8.1
156.57446	0.3
163.00226	0.9
163.03963	1.2
164.00987	0.5
169.01323	0.7
171.04329	0.5
173.04463	2.6
175.00279	1.1
178.99770	1.5
187.04053	0.4
191.03786	0.8
191.05542	16.1
192.00459	0.3
192.05826	0.6
199.03940	1.7
201.01910	0.6
203.03450	0.3
205.01627	0.3
211.03925	0.7
214.02592	0.4
215.03479	0.9
226.02745	0.5
227.03476	2.1
229.05058	0.6
243.02910	2.6
245.04474	0.5
254.02357	0.4
255.03044	2.8
256.03363	0.5
271.02478	39.0
272.02771	2.0
282.97922	0.3
283.02417	2.0
284.03146	0.7
285.04028	2.2
297.03781	0.5
299.01978	73.5
300.02655	12.7
301.03540	63.6
302.03867	3.4
313.03442	1.3
315.04990	0.5
337.09283	2.7
343.04602	1.7
353.94083	0.3
447.09305	6.3
448.09723	0.8
462.08032	20.0
463.08759	10.0
609.14624	100.0
610.15002	7.7
719.57825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	1.1
71.57494	0.3
72.59297	0.2
77.19658	0.3
77.83860	0.2
79.59694	0.3
83.01257	1.0
85.02816	0.5
89.02308	0.5
99.00761	0.7
101.02322	0.4
107.01269	3.0
109.02851	1.1
113.02317	0.7
119.01279	0.3
119.04909	0.4
121.02859	0.3
123.31415	0.3
125.02344	0.7
131.04817	0.3
133.02853	1.6
135.00804	0.6
135.04480	0.3
137.02316	0.7
143.04924	0.5
145.02843	0.5
147.00783	0.8
149.02322	0.5
150.99123	0.6
151.00276	8.7
153.01831	0.3
155.04948	0.4
160.01578	0.8
160.03928	0.3
161.02332	1.2
163.00336	0.5
163.03934	0.5
164.01021	0.3
169.01337	1.1
171.04396	1.6
173.02458	0.5
175.00319	0.7
175.03957	1.7
178.99756	1.9
183.04430	0.7
187.03943	1.0
197.02440	0.7
198.03163	0.4
199.03929	6.0
201.00183	0.3
201.01872	1.9
203.03416	0.9
213.01843	0.5
215.03442	3.3
219.13885	0.4
226.02715	1.4
227.03482	5.2
229.01410	0.5
242.02141	0.7
243.02954	6.2
243.29919	0.3
249.06250	0.5
254.02214	0.5
255.02994	4.4
267.07257	0.7
270.01578	0.3
271.02472	77.0
272.02832	4.2
282.01691	0.6
283.02386	1.0
285.04166	0.3
298.01135	0.5
299.01962	100.0
300.02670	28.1
301.03448	8.0
302.03793	0.3
313.03574	1.1
314.04248	1.2
315.04990	1.3
323.07736	0.5
342.03522	0.4
358.74899	0.3
368.89063	0.3
433.07730	0.6
445.08551	0.3
453.21399	1.0
480.17282	0.6
481.18463	0.4
513.22864	2.4
517.10077	0.5
609.14630	8.7
610.14948	0.4
621.12524	1.0
623.16223	1.0
637.12042	0.3
638.12769	16.4
639.13348	2.8
947.24634	36.9
948.24805	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	945.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	14.3
71.57571	4.3
71.57997	8.4
85.02840	7.9
88.98681	7.5
89.02322	12.7
95.35838	4.5
101.02319	16.1
106.91488	4.2
113.02330	11.5
118.22526	5.3
119.03392	5.8
125.02337	9.0
127.99185	4.8
183.13795	9.8
195.13861	9.1
209.11861	12.4
211.13336	85.1
275.20300	6.6
277.21542	8.0
281.02484	6.0
293.21249	100.0
294.21570	9.9
379.12506	7.2
397.13568	39.1
415.14499	9.7
591.25488	6.1
609.27557	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	947.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65579	3.2
71.01260	1.3
83.01264	1.4
85.02848	0.5
96.53576	0.4
99.00770	1.6
107.01286	3.4
109.02840	1.3
113.02342	1.2
119.01232	0.4
121.02832	0.7
125.02313	0.9
133.02864	1.5
135.00740	0.5
143.04897	1.0
147.00784	0.8
148.01544	0.5
149.02486	0.5
149.06046	0.5
151.00291	9.3
153.01810	0.9
155.05011	0.5
160.01604	0.6
161.02394	0.8
164.01138	0.7
169.01334	1.3
171.04399	1.3
173.02357	0.6
174.97182	0.7
175.00331	0.8
175.03923	2.1
178.99789	2.8
183.04507	0.5
187.03970	1.3
193.01492	0.4
197.02396	0.5
199.03947	5.6
201.01944	1.9
203.03439	1.0
215.03523	3.7
225.01944	0.6
226.02730	1.2
227.03467	5.1
242.02089	1.0
243.02969	7.0
244.03555	0.5
249.06148	0.9
255.02956	4.9
267.07294	0.7
271.02490	75.3
272.02911	4.0
282.01620	1.0
283.02545	0.6
299.01984	100.0
300.02682	26.9
301.03519	9.8
302.03940	0.5
314.04163	0.9
315.05203	0.6
323.07635	0.6
433.07751	1.3
453.21411	1.4
513.23212	4.6
609.14557	8.6
621.12872	0.7
623.16003	1.2
638.02173	1.1
638.12787	17.9
639.13251	4.0
781.89307	0.5
947.24628	35.2
948.25073	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	943.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	3.8
71.01266	23.8
73.02832	6.0
74.45499	3.8
78.95781	3.7
79.14347	3.3
80.96406	5.8
81.03381	4.3
85.02815	7.7
87.00745	8.6
89.02306	11.0
96.95906	3.7
97.02826	11.7
98.19778	10.1
99.00770	21.5
101.02326	7.0
113.02355	6.0
116.92742	4.3
125.02313	5.6
125.09615	8.2
163.11159	15.6
181.12259	21.2
207.10210	65.8
225.11273	97.2
243.12389	34.0
246.16602	4.2
277.21741	54.1
278.21838	4.7
397.13461	9.1
584.47986	4.7
605.24554	29.0
623.25818	27.8
756.97961	3.9
883.47034	100.0
884.47382	15.4
943.44373	4.3
966.35974	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	943.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	4.2
86.93386	1.1
88.01916	1.1
93.03365	1.5
109.99989	4.5
111.00771	2.2
111.38526	1.0
116.95794	1.1
137.99493	1.7
139.00267	7.8
145.02834	1.8
151.00290	4.9
163.00253	1.3
165.78954	1.2
165.99025	5.9
166.99754	3.8
169.01126	1.1
173.04416	2.9
178.99777	5.9
199.04004	1.9
211.07655	1.2
214.02501	1.3
227.03522	2.6
233.06631	3.1
235.48790	1.1
242.02151	2.1
243.02983	4.5
255.03008	8.6
270.01691	4.4
271.02475	27.6
272.02808	2.7
287.01968	15.7
288.02466	1.5
299.01962	15.3
300.02713	24.4
301.03467	12.1
302.03912	1.5
315.01581	1.3
316.02225	43.0
317.02957	21.8
396.51102	1.3
463.08838	35.7
464.09323	3.5
474.39911	1.2
478.07050	2.1
479.08325	100.0
480.08725	7.6
493.77731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41082	4.3
78.04682	0.4
87.00781	0.5
89.02376	0.5
100.53919	0.4
107.01260	1.1
109.01659	0.4
109.02830	1.2
109.99971	3.7
111.00782	2.2
119.04958	0.6
121.02859	0.5
123.00764	0.8
125.02366	0.8
133.74332	0.4
136.98672	0.8
137.99475	1.3
139.00281	4.1
142.89066	0.5
147.04402	0.4
151.00273	4.7
152.01013	0.8
163.00305	1.3
164.01077	1.0
164.98232	0.5
165.99010	4.5
166.99750	2.3
169.01205	0.6
171.04439	0.6
175.03969	0.5
178.99788	4.8
187.03914	0.5
193.22372	0.5
194.99353	0.4
198.03242	0.5
199.03851	1.1
201.01840	0.7
203.03394	1.0
211.03973	0.5
211.07680	0.8
215.03416	1.5
216.04269	0.5
219.02881	0.5
226.02675	0.6
227.03490	2.6
231.02916	1.0
241.01440	0.5
242.02086	1.4
243.02960	4.7
244.03714	0.9
245.04498	1.0
254.84064	0.5
255.02936	5.5
259.02451	1.2
269.00943	0.5
270.01672	3.3
271.02475	26.5
272.02893	2.2
273.04022	1.7
286.01321	0.6
287.01959	11.2
288.02618	1.8
289.03464	1.3
297.00256	0.6
298.01205	2.4
299.01944	14.7
300.02722	25.7
301.03513	12.7
302.03909	1.2
315.01465	1.4
316.02240	40.0
317.02969	20.5
318.03360	0.8
461.07343	1.0
463.08823	36.6
464.09122	3.6
477.06732	1.5
478.07590	2.8
479.08298	100.0
480.08597	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	941.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	4.1
69.52928	1.0
69.87560	6.1
71.01254	21.2
72.99201	1.8
73.02814	3.6
78.95789	1.7
79.95615	4.4
80.96392	17.1
81.03335	1.6
83.01284	1.6
83.04900	1.0
85.02817	6.0
87.00762	5.5
89.02317	13.5
89.07377	1.0
94.97978	3.4
95.01263	2.0
97.02843	2.8
98.20616	1.3
99.00725	1.1
101.02324	18.4
103.57055	0.9
113.02343	8.4
116.92733	6.3
119.03389	4.8
125.02357	6.8
134.97545	1.3
143.03398	2.6
152.98517	1.2
161.04454	2.3
164.98563	3.2
167.10690	3.6
179.05536	6.0
179.10603	1.1
179.14310	3.4
195.13861	12.4
205.12303	10.3
221.06566	2.4
223.13345	100.0
224.13577	6.1
225.00729	4.1
235.08305	5.8
241.59084	1.0
255.23196	1.3
277.21722	60.1
278.21930	4.8
281.24966	1.1
287.07889	2.0
305.08875	1.1
323.09705	1.8
379.12543	9.8
397.13538	46.0
398.13623	1.9
415.14597	9.7
566.59894	1.0
603.26569	14.9
604.27002	1.6
621.27661	14.0
622.27704	1.8
675.36279	1.3
687.79834	1.1
767.42755	2.2
861.43481	3.0
881.49182	2.9
882.50122	1.4
897.45367	3.6
923.44446	1.6
941.44019	8.8
942.45288	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03302	2.4
71.01254	14.6
72.99183	3.9
73.02844	2.5
76.21094	2.4
78.71022	2.4
80.54909	2.5
80.60635	2.2
85.02811	4.6
89.02321	12.4
98.20555	5.9
101.02332	10.4
108.18189	2.2
113.02354	4.5
119.03374	2.9
125.02376	6.2
137.14771	2.6
137.46005	2.3
183.13829	9.2
211.13347	100.0
212.13680	6.5
228.87392	2.6
235.08168	6.9
255.23254	63.6
256.23550	3.0
279.23221	10.2
379.12558	13.0
397.13516	45.4
415.14679	8.1
591.26270	8.3
609.27240	3.8
635.36432	5.1
653.37329	10.1
948.25146	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	939.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57476	3.2
71.57856	4.8
75.00741	3.3
78.95788	56.5
79.95629	4.4
80.96388	17.4
94.97971	5.2
96.96847	20.8
99.00752	4.1
99.92452	6.5
116.92757	62.7
133.04959	10.9
152.99503	16.2
156.00575	6.4
174.01665	5.2
183.13770	3.1
211.13350	28.4
223.00136	4.6
225.00696	5.1
241.01181	30.3
255.23254	49.1
259.02289	4.0
271.22702	4.5
279.61520	3.3
362.49512	3.3
765.42041	100.0
765.55798	5.5
766.42322	12.8
821.40649	3.8
848.12518	3.0
877.43488	4.7
885.40509	3.2
904.42334	3.4
921.42267	10.6
939.43280	26.7
940.44586	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	939.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	2.8
71.01257	78.9
71.58360	2.8
72.99168	9.5
73.02824	19.3
75.00703	3.2
76.87617	2.7
78.95796	3.5
81.03303	3.0
83.01291	6.2
83.04899	4.6
85.02831	30.9
85.16033	2.5
89.02316	24.4
92.04939	4.4
96.95878	3.2
99.00754	6.9
99.04394	3.5
101.02324	12.8
103.03885	3.6
109.02838	3.6
113.02334	6.8
121.10099	14.3
136.03947	2.9
165.09129	11.5
167.10689	6.5
183.10188	3.1
311.15005	6.7
315.14478	15.3
329.16019	25.0
359.82639	2.9
459.03500	2.7
623.30872	4.9
627.30133	11.0
641.31726	24.1
642.32843	3.4
667.29370	2.5
866.37103	3.0
939.46112	100.0
940.46228	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	939.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23019	1.4
69.23443	2.6
71.01253	2.4
72.99176	0.8
73.02820	0.6
81.03352	0.5
83.01283	0.7
85.02815	1.8
87.00747	0.3
89.02296	0.5
93.03326	1.5
95.01267	0.7
96.95829	0.5
97.02810	0.4
97.37076	0.4
99.00753	0.7
101.02348	0.8
107.01281	1.2
108.02055	29.5
109.02142	0.7
109.02843	11.1
113.02293	1.0
115.38119	0.3
117.03339	0.4
121.02818	1.0
123.00768	0.8
123.04391	1.0
125.02352	0.4
132.02061	3.5
133.02855	2.4
134.03656	4.3
135.00757	0.8
135.04419	1.6
136.01605	0.4
137.02295	1.1
139.03899	0.4
144.01414	0.4
149.02307	0.4
149.06050	0.7
150.03149	0.7
151.00270	2.6
151.04001	0.8
152.01060	40.3
153.01845	10.4
154.02211	0.5
160.01573	14.6
161.02356	11.4
162.02774	0.6
163.03888	1.1
164.10194	0.3
165.01906	1.6
165.05440	0.4
166.02570	0.4
167.03397	0.7
175.03926	14.4
176.04332	0.8
177.01945	0.5
178.02669	0.5
178.99770	1.4
179.03413	1.7
180.04155	0.6
191.05455	0.4
193.04993	3.2
194.05615	0.5
195.06560	1.1
199.03937	0.3
205.04988	0.5
207.02806	0.4
209.08183	0.5
221.04408	0.5
226.02805	0.5
227.03395	1.2
228.04103	0.4
242.05807	0.4
243.02888	1.3
243.06589	1.0
244.03413	0.5
255.02997	3.2
270.99744	0.3
271.02475	9.5
272.02847	2.7
273.03159	0.6
283.02335	0.4
284.03323	0.5
285.04202	0.4
285.07410	0.5
299.01935	3.1
300.02710	13.3
300.06131	0.7
301.03433	12.4
301.06952	0.6
302.03873	4.0
303.04092	1.4
315.07227	10.5
316.07556	0.4
323.07767	1.5
337.09338	0.7
414.70175	0.4
447.09241	10.9
448.09705	2.9
449.09738	0.8
459.09174	0.8
491.11954	100.0
492.12259	8.4
503.17697	0.8
509.22183	0.9
519.17261	0.7
521.12714	1.7
634.06372	0.3
759.23431	0.4
792.24451	0.5
793.24622	0.9
938.29639	0.6
939.30695	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	937.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01285	2.5
71.57754	1.8
78.95770	1.6
79.95619	1.6
80.96404	2.5
84.34914	1.3
99.92465	12.3
111.96729	1.0
113.02336	1.8
116.92757	100.0
116.97140	1.7
117.01817	1.9
117.92769	3.9
134.70125	1.0
134.97430	1.0
155.38834	1.1
159.35326	1.1
181.47099	1.1
211.13342	13.8
271.17075	1.2
277.21661	5.9
379.12476	1.8
397.13565	6.3
397.47891	1.4
415.14752	1.6
591.27142	2.1
937.51166	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	938.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69463	2.3
68.99706	4.0
69.03323	3.9
70.42663	4.1
70.43021	5.1
71.01257	84.0
72.99176	10.8
73.02824	20.3
73.82564	2.1
75.00751	7.6
78.74259	1.9
81.03355	3.2
83.01256	13.3
83.04917	4.6
85.02827	39.5
87.00760	11.6
88.98680	4.4
89.02319	26.1
92.19899	2.2
94.02848	4.6
95.01282	2.8
96.95896	5.6
97.02844	5.3
98.02392	2.7
99.00723	5.4
99.04390	3.9
101.02325	39.5
105.14130	2.3
109.02823	7.9
112.03982	2.6
113.02342	12.7
116.92746	7.6
119.03406	2.6
119.04905	4.1
121.02856	3.3
124.03931	4.7
125.02341	9.2
127.03901	6.2
131.03407	5.6
132.02109	2.9
134.03632	5.5
135.04390	2.4
136.01659	4.2
137.02350	6.1
139.03842	3.0
145.04980	10.1
149.02345	3.7
150.03166	8.6
151.00253	5.5
151.03867	3.9
152.01004	3.3
153.01883	3.7
160.01630	11.3
164.04781	2.9
165.01839	5.3
165.05495	8.1
166.02594	4.7
175.02507	3.0
175.03886	14.4
176.84700	2.5
178.99989	2.1
179.07027	3.0
180.04176	3.9
181.05051	3.6
191.05608	2.5
193.05043	6.0
195.06625	4.8
205.05029	4.4
226.79509	2.3
242.64032	2.3
243.03105	2.7
253.13470	3.1
255.02985	2.6
271.02557	11.6
277.09686	2.7
277.79886	2.3
279.11517	4.1
290.07047	2.4
300.02847	14.6
301.03571	12.7
305.09201	5.8
337.09344	12.2
395.45255	2.1
447.09412	24.3
491.21429	24.5
635.52112	2.7
762.44818	6.6
889.28210	6.0
894.48645	60.1
895.49146	12.2
907.30243	3.8
921.31458	3.0
938.47821	100.0
939.48645	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	937.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64273	1.9
71.01259	0.8
89.15371	0.5
93.11293	0.5
125.38754	0.4
126.00587	0.6
130.94250	0.6
163.12648	0.6
209.11778	1.3
219.48277	0.5
232.89539	0.5
241.08258	0.5
328.09644	0.7
452.14780	1.4
481.14807	2.6
482.15277	0.9
495.16782	7.5
496.17001	1.0
508.17847	1.0
533.17755	0.6
535.16071	1.3
536.17041	2.1
539.16486	0.7
540.16522	1.7
550.18854	0.7
551.19440	25.0
552.19604	5.1
553.17267	0.5
554.17987	1.2
572.15710	2.7
583.22467	0.6
586.17212	2.2
595.18500	2.5
627.20996	100.0
628.21228	17.6
629.21082	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	937.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49591	8.3
71.01250	14.7
72.99161	1.1
73.02815	9.7
75.00701	1.1
78.74522	0.9
81.03316	2.2
83.01241	4.7
85.02820	6.0
87.00755	1.7
89.02332	4.2
93.03335	3.5
95.01261	2.0
97.02802	1.2
98.20584	2.0
99.00752	27.0
101.02328	19.5
109.02831	3.6
113.02314	6.1
119.04916	22.1
120.05357	1.2
123.00755	2.3
123.04403	5.6
124.01563	1.1
125.02338	5.8
132.02029	1.8
134.03624	1.0
135.04369	1.7
137.02336	17.5
139.03960	1.1
143.03398	2.2
145.02798	1.1
149.02347	2.0
149.05943	1.3
150.03220	1.6
151.00275	14.5
151.03923	1.8
152.01054	2.3
152.04669	1.3
160.01567	5.9
161.02348	1.1
161.04466	3.9
162.03136	4.0
163.02687	1.7
163.03925	19.8
165.01848	81.4
166.02634	37.0
167.03412	19.1
174.01686	0.9
175.02577	1.4
175.03896	7.7
176.04391	1.3
177.01857	7.3
177.05493	3.7
178.99782	1.4
179.03427	4.6
180.04199	54.7
181.04980	27.6
182.05377	1.6
183.06564	2.7
191.03525	1.5
191.05525	6.4
192.04166	3.7
193.05022	3.1
195.02878	4.4
195.06552	97.5
196.06911	2.7
205.04832	1.5
207.06543	6.3
210.05280	7.3
225.07654	19.9
227.03452	1.9
243.02869	1.9
244.03322	1.0
255.02985	7.4
271.02386	11.5
271.81650	1.2
272.02795	1.4
273.07709	20.0
284.03113	2.1
285.03998	4.1
293.08774	3.9
299.01984	1.9
300.02765	18.2
301.03476	5.6
315.05157	3.6
315.14395	1.4
328.05899	1.5
329.06351	1.0
337.09286	7.4
343.08145	2.0
357.11768	1.3
359.11530	1.1
364.24408	1.0
387.10367	4.7
402.13400	1.5
403.13797	1.8
417.15659	10.4
431.09802	4.9
432.09973	1.1
435.13181	2.3
477.10397	1.2
501.14020	19.4
502.14230	1.3
519.17188	100.0
520.17670	8.6
554.29645	1.1
595.21539	2.7
643.23926	2.5
684.05969	1.1
907.29742	1.5
919.28986	4.4
937.32526	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	937.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49591	8.3
71.01250	14.7
72.99161	1.1
73.02815	9.7
75.00701	1.1
78.74522	0.9
81.03316	2.2
83.01241	4.7
85.02820	6.0
87.00755	1.7
89.02332	4.2
93.03335	3.5
95.01261	2.0
97.02802	1.2
98.20584	2.0
99.00752	27.0
101.02328	19.5
109.02831	3.6
113.02314	6.1
119.04916	22.1
120.05357	1.2
123.00755	2.3
123.04403	5.6
124.01563	1.1
125.02338	5.8
132.02029	1.8
134.03624	1.0
135.04369	1.7
137.02336	17.5
139.03960	1.1
143.03398	2.2
145.02798	1.1
149.02347	2.0
149.05943	1.3
150.03220	1.6
151.00275	14.5
151.03923	1.8
152.01054	2.3
152.04669	1.3
160.01567	5.9
161.02348	1.1
161.04466	3.9
162.03136	4.0
163.02687	1.7
163.03925	19.8
165.01848	81.4
166.02634	37.0
167.03412	19.1
174.01686	0.9
175.02577	1.4
175.03896	7.7
176.04391	1.3
177.01857	7.3
177.05493	3.7
178.99782	1.4
179.03427	4.6
180.04199	54.7
181.04980	27.6
182.05377	1.6
183.06564	2.7
191.03525	1.5
191.05525	6.4
192.04166	3.7
193.05022	3.1
195.02878	4.4
195.06552	97.5
196.06911	2.7
205.04832	1.5
207.06543	6.3
210.05280	7.3
225.07654	19.9
227.03452	1.9
243.02869	1.9
244.03322	1.0
255.02985	7.4
271.02386	11.5
271.81650	1.2
272.02795	1.4
273.07709	20.0
284.03113	2.1
285.03998	4.1
293.08774	3.9
299.01984	1.9
300.02765	18.2
301.03476	5.6
315.05157	3.6
315.14395	1.4
328.05899	1.5
329.06351	1.0
337.09286	7.4
343.08145	2.0
357.11768	1.3
359.11530	1.1
364.24408	1.0
387.10367	4.7
402.13400	1.5
403.13797	1.8
417.15659	10.4
431.09802	4.9
432.09973	1.1
435.13181	2.3
477.10397	1.2
501.14020	19.4
502.14230	1.3
519.17188	100.0
520.17670	8.6
554.29645	1.1
595.21539	2.7
643.23926	2.5
684.05969	1.1
907.29742	1.5
919.28986	4.4
937.32526	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	937.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	1.8
71.01249	1.2
71.58010	0.7
73.07497	0.6
83.01250	1.6
85.02814	1.0
89.02314	0.7
93.03329	0.9
95.53687	0.5
107.01287	4.3
108.02073	1.9
109.02828	3.5
113.02303	0.7
119.04865	0.5
121.02844	1.7
122.23034	0.5
123.04437	0.5
125.02326	1.7
133.02873	1.0
134.59933	0.6
137.02345	0.9
145.02856	0.6
147.00682	0.6
149.02332	0.8
151.00279	13.5
152.00987	1.7
153.01819	1.6
159.04506	1.3
161.02306	1.0
163.00279	1.7
163.03941	0.7
164.01074	0.8
165.01802	0.6
169.01352	1.9
171.04431	0.7
175.03905	2.1
178.99818	4.4
185.06020	0.6
187.03854	1.0
193.01381	0.6
198.03101	0.8
199.03941	2.8
203.03519	0.7
215.03407	1.7
216.04266	0.6
226.02667	2.3
227.03447	4.5
228.04143	0.5
229.05084	0.6
242.02148	1.0
243.02997	6.6
254.02214	2.4
255.02927	5.5
270.01581	0.7
271.02484	60.5
272.02927	3.5
283.02304	1.4
284.03427	1.2
285.04028	1.6
295.19055	0.6
299.01971	47.1
300.02737	44.8
301.03516	100.0
302.03922	5.1
313.03571	1.3
320.80127	0.6
343.04758	0.7
417.08109	1.6
418.08853	0.6
445.07922	0.9
447.09317	40.8
448.09634	3.5
463.08914	0.6
491.11960	5.9
492.11826	1.0
542.38708	0.8
557.12885	0.8
757.23730	0.7
759.24677	1.7
760.99030	0.7
790.22986	2.0
791.23804	11.7
792.24457	1.3
854.06580	0.7
919.27991	0.8
937.29767	33.6
938.30029	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	937.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00189	6.4
69.45035	1.2
69.45348	10.9
71.01253	10.6
73.02806	4.1
80.07607	1.3
83.01270	5.5
84.41174	1.1
85.02826	6.7
87.00756	1.5
89.02329	3.1
93.03338	2.5
95.01289	2.0
96.62119	1.2
96.95887	1.8
98.20593	2.7
99.00757	10.2
100.45468	1.3
101.02345	6.2
102.35723	1.4
107.01288	10.2
109.02825	3.7
109.48814	1.2
111.00761	2.0
113.02335	8.3
116.92924	1.2
117.01788	1.2
121.02835	6.3
125.02299	1.5
129.45456	1.2
137.02339	8.0
147.00772	1.5
148.01620	1.5
149.02364	2.3
150.03131	1.7
151.00278	49.5
163.00304	3.8
165.01840	34.3
166.02612	13.5
169.01349	4.1
174.03151	1.3
175.02415	2.0
175.03879	2.8
177.01855	1.4
178.99779	20.7
179.03351	2.3
180.04219	23.5
181.04962	9.5
191.05518	2.4
192.04175	2.3
193.05081	2.1
195.02855	1.8
195.06557	39.9
199.03946	3.0
207.06648	2.6
210.05270	3.5
211.03963	1.9
215.03455	1.6
225.07628	9.4
226.02654	1.7
227.03473	4.4
229.05136	1.7
237.42976	1.2
243.02928	12.0
245.04477	2.9
254.02271	2.7
255.02942	23.5
256.03424	2.7
271.02478	56.2
271.05441	2.8
272.02972	4.1
273.04047	3.3
293.08847	1.5
299.01974	20.9
300.02740	88.4
301.03516	100.0
302.03781	6.6
315.05200	3.4
315.14517	2.3
317.03085	3.1
417.15372	4.0
445.07730	30.0
445.99612	1.6
446.08176	2.3
447.08820	1.7
463.08984	2.7
489.16336	2.8
491.21512	20.5
492.21548	2.3
519.17175	27.7
591.13574	4.6
609.14581	63.3
610.14844	4.6
629.18768	28.4
630.19073	2.9
937.30243	31.4
938.30609	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	935.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	2.9
69.41378	2.8
69.41782	14.3
71.01262	28.5
71.89022	1.5
72.99207	2.3
73.02837	5.0
78.95742	1.6
83.01278	2.7
83.04910	6.9
84.60412	1.5
85.02841	6.5
87.00763	4.1
89.02329	18.6
95.01271	2.1
95.04929	1.8
96.95908	2.9
97.02843	5.9
97.06490	1.6
98.20659	1.6
99.00744	2.8
101.02327	16.6
111.08076	4.2
113.02359	11.1
119.03448	4.9
125.02383	5.9
125.09617	3.9
127.11188	4.3
131.03471	3.0
135.08049	1.9
143.04559	2.5
152.10435	1.9
155.10748	2.0
161.04494	4.1
163.11211	5.7
164.11522	1.8
165.09166	2.7
165.12787	6.8
169.12257	2.3
171.10199	6.8
177.03377	2.0
179.05560	4.8
181.12247	2.2
183.10182	2.7
197.11792	17.7
199.09752	2.4
201.11281	71.6
202.11646	3.0
207.10204	2.3
209.11800	85.2
210.12062	3.7
211.13354	7.0
221.06624	2.2
227.12837	17.5
235.08212	5.9
247.20697	3.4
253.09317	2.4
273.18927	3.1
291.19650	28.6
292.19952	2.2
305.08914	2.7
309.20728	100.0
310.21106	8.9
327.21686	5.0
379.12619	3.4
397.13562	50.4
397.18634	3.5
398.13910	5.2
415.14624	17.1
528.70599	1.8
599.25787	4.2
607.26221	2.5
689.34021	3.2
707.35004	6.0
891.45129	3.4
917.47699	2.1
935.47473	4.1
936.48541	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	935.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	2.2
77.76372	0.3
84.61237	0.3
85.02811	0.4
87.00741	0.4
89.02313	1.6
93.03285	0.3
95.04942	0.4
98.20532	0.8
101.02319	1.8
109.02773	0.3
111.08060	1.6
112.21662	0.4
113.02360	0.5
118.51611	0.3
119.03429	0.3
125.02341	0.7
125.09623	0.3
163.11131	0.3
165.12773	23.8
166.13095	0.7
171.10246	0.5
171.90958	0.3
175.03935	0.3
179.05534	0.4
181.08765	0.4
181.12259	0.5
183.13838	100.0
184.14198	4.4
188.99031	0.3
191.10727	0.5
197.11801	1.2
201.11328	0.3
209.11757	3.2
211.13370	1.0
227.12854	97.3
228.13185	4.2
235.08130	0.4
268.12869	0.4
273.18570	0.5
291.19711	2.8
309.20703	8.5
310.20975	0.3
327.21835	0.8
329.16064	0.5
337.10605	0.4
349.82181	0.4
358.69839	0.3
361.92001	0.3
370.76526	0.3
397.13528	2.9
415.14700	2.7
707.34662	3.0
780.87329	0.4
935.46173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80280	1.9
68.99661	4.8
71.00909	2.5
71.01261	36.7
72.99166	7.6
73.02812	4.6
75.00755	13.2
78.95782	2.3
83.01249	4.1
83.04890	2.0
85.02816	14.7
87.00761	19.2
89.02300	8.1
93.03269	2.9
97.02793	2.0
98.19731	2.9
99.00772	36.6
101.02300	8.2
113.02352	10.4
113.99480	10.6
115.00245	6.1
122.25199	1.8
125.02300	3.5
125.09647	1.8
127.00277	13.3
129.01797	5.6
131.82184	2.0
156.00500	7.0
157.01247	1.9
171.10141	7.9
174.00201	2.1
174.01622	22.7
175.02321	6.9
178.36337	1.9
181.08676	1.8
183.13892	3.5
197.11777	2.2
198.15103	1.9
201.11189	4.6
207.10150	3.4
209.11697	10.5
211.13373	3.9
212.13631	1.7
225.11215	3.0
227.12654	2.7
229.91064	2.3
249.06152	3.1
291.19611	2.7
305.21295	2.7
309.20602	5.2
310.20798	2.7
311.21921	2.1
327.21741	11.3
329.16180	2.6
349.27393	2.7
371.76907	2.1
397.13379	6.8
398.14261	2.2
415.14105	2.4
934.47296	2.2
935.41058	100.0
936.41022	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	935.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	4.8
72.99191	0.8
73.02825	1.0
81.03341	0.8
83.01259	1.0
85.02840	2.2
87.00748	1.6
89.02312	2.2
89.70862	0.8
93.03355	1.9
96.95878	2.8
99.00754	1.2
101.02311	1.6
106.00524	0.8
107.01234	0.8
108.02078	0.8
109.02841	1.2
113.02338	1.5
116.92776	0.8
119.04922	1.1
125.02330	1.8
134.03638	1.8
137.02361	1.5
145.02895	0.9
149.02409	0.8
151.00266	1.5
151.03818	0.9
152.01041	1.0
153.01843	0.8
153.55852	0.8
155.03447	0.8
162.62280	0.7
163.03998	0.8
164.04651	0.9
165.01785	1.4
166.02475	0.8
180.04192	0.9
191.05438	0.9
193.05028	1.2
199.03954	0.7
205.04936	0.8
209.11815	0.8
227.03435	1.3
243.03009	4.2
245.73933	0.9
254.02147	1.2
255.02960	13.6
256.03351	1.0
271.02493	24.2
272.03024	2.6
299.01968	7.9
300.02753	79.7
301.03229	8.2
314.04312	1.0
315.05109	60.6
316.05331	3.7
445.07828	1.2
462.07993	2.0
477.10391	100.0
478.10754	9.1
533.53955	0.8
935.33832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99678	2.3
69.03340	2.6
71.01250	5.3
71.58073	1.6
73.02824	1.8
81.03329	15.5
83.01260	12.8
84.81532	1.3
85.02825	2.3
87.00748	1.5
93.03345	5.8
95.01270	4.2
95.04900	8.7
97.02823	11.3
99.00724	1.5
99.04399	5.6
101.02321	1.9
103.27134	1.2
107.04929	3.5
108.02059	2.1
109.02848	8.4
111.04422	6.6
113.02326	5.7
119.04917	14.7
121.02856	9.1
121.06466	2.1
123.00773	3.1
123.04411	31.1
125.02346	32.3
125.05930	1.5
132.02043	6.2
133.02831	2.8
134.03632	12.9
135.04439	8.8
136.01585	1.6
137.02328	18.2
137.05975	3.7
138.03114	1.5
139.03906	10.1
142.13017	1.4
145.02864	2.0
147.04399	5.1
149.02322	5.3
149.05981	3.3
150.03085	2.1
151.03917	9.0
153.05481	4.0
155.03433	2.0
160.01573	31.9
161.02325	6.7
162.02979	1.3
163.00177	2.3
163.03912	5.5
165.01831	5.5
165.05469	6.8
166.02524	3.7
167.03407	42.2
175.03937	34.7
177.01834	3.8
177.05441	4.6
178.02573	1.5
179.03432	20.7
179.05020	1.9
179.05577	1.1
180.04189	1.8
181.04955	4.1
186.14958	1.3
189.01894	1.7
189.05449	2.4
191.03520	6.5
193.05026	13.1
197.04451	8.7
203.03552	1.8
205.04980	1.7
207.02933	4.4
209.04497	41.5
210.04834	1.3
221.04512	3.5
223.06007	1.8
233.04584	2.1
239.05568	22.8
251.05521	2.5
269.06677	5.3
280.83417	1.4
299.02005	1.5
334.62375	1.5
337.09283	6.1
421.26733	1.5
653.19086	4.3
666.52875	1.6
683.20062	3.2
684.31708	1.3
695.19818	100.0
696.20074	12.4
707.19867	3.6
714.52930	1.5
725.20856	85.6
726.21234	11.0
737.20978	6.5
755.21863	33.2
756.22113	2.9
767.21423	2.2
779.22473	2.1
785.23267	2.2
797.23248	13.9
815.24304	12.9
827.24023	10.5
828.24945	1.6
845.25586	3.6
859.88727	1.4
935.27667	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	935.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	2.8
71.01257	9.2
71.58070	3.4
71.58434	2.4
73.02808	3.5
81.03332	20.8
83.01244	13.8
85.02839	5.2
89.02341	2.3
93.03339	10.0
95.01269	5.6
95.04915	8.4
97.02827	12.8
99.04418	6.7
99.76091	1.9
100.03899	1.9
101.02340	3.3
107.04919	8.2
108.02100	2.2
109.02834	8.4
111.04398	6.0
113.02319	5.9
116.90788	1.8
118.07310	2.1
119.04914	16.3
120.05350	2.1
121.02823	8.8
121.06486	2.2
123.00764	3.2
123.04409	32.6
124.01536	2.6
125.02330	37.3
125.05966	2.3
128.03456	1.8
132.02061	7.5
133.02859	4.7
134.03639	15.2
135.04407	10.8
137.02354	26.4
137.05980	6.8
139.03909	12.0
147.04411	5.8
149.02301	7.1
149.05995	4.2
150.03166	2.6
151.00189	1.8
151.03928	14.1
153.01907	2.2
153.05484	6.1
155.03346	3.3
159.04347	2.5
160.00397	3.2
160.01582	33.8
161.02365	10.2
163.00311	1.9
163.03908	5.7
164.04700	2.3
165.01866	6.3
165.05455	9.7
166.02667	2.6
167.03426	46.7
175.02568	1.8
175.03922	41.6
176.04330	2.2
177.01894	3.9
177.05487	3.5
178.02649	2.1
179.03403	19.8
180.04102	3.6
181.04985	3.9
189.05544	2.7
191.03473	3.2
193.04974	16.0
197.04512	12.9
201.05249	2.0
205.05054	3.0
207.02913	2.9
209.04497	53.0
210.04854	3.3
221.04494	5.2
233.04520	3.1
233.57173	2.5
239.05585	32.4
251.05608	2.0
269.06677	7.8
271.02557	3.2
299.01999	2.3
300.02631	3.7
301.03455	1.9
327.08554	2.6
336.94699	1.8
337.09360	7.5
617.13556	2.0
645.88605	2.3
653.18280	4.9
683.19385	3.0
695.19843	100.0
696.20148	14.4
707.19690	3.3
725.20892	92.0
726.21509	15.1
737.20746	5.1
755.21844	31.3
756.22241	4.3
770.47833	2.4
797.22736	13.6
815.23926	17.4
827.24438	7.8
845.24835	6.3
917.26721	2.3
935.28387	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	933.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	2.3
71.01260	42.6
71.05780	3.1
71.06099	3.3
72.49860	2.4
72.99191	4.3
73.02846	4.2
73.98299	2.2
75.00755	3.2
78.74780	2.2
81.03352	2.7
83.04919	6.4
85.02831	9.5
87.00768	10.4
89.02316	15.9
95.01289	2.7
96.95869	4.2
97.02828	4.6
101.02332	15.8
113.02338	7.7
116.05311	2.3
116.92741	3.8
119.03450	4.8
125.02366	6.0
159.70654	2.0
161.04495	5.6
163.11238	5.3
165.12814	3.0
169.12289	6.9
171.10182	8.9
175.02429	2.6
179.05518	5.4
181.12321	2.5
183.13893	4.2
195.13902	7.3
201.11285	3.6
207.10324	5.6
209.11786	100.0
210.12036	5.3
211.13332	16.8
221.06593	3.5
223.13284	4.3
225.11284	5.6
227.12770	12.2
235.08223	6.3
246.57774	2.2
265.81790	2.2
275.20233	5.6
289.18124	3.6
291.19763	7.2
293.21249	99.5
294.21600	10.1
309.20602	12.9
317.91669	2.5
379.12466	3.4
397.13571	48.9
398.13837	3.0
415.14612	17.3
607.25836	4.4
609.26093	2.4
933.47156	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	934.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	2.0
74.77226	0.6
83.01260	1.9
83.32940	0.6
98.19717	0.8
105.23850	0.6
107.01271	3.9
108.02065	0.9
109.02876	1.3
119.04877	1.1
121.02872	1.1
125.02334	1.1
147.03055	0.6
148.01579	0.8
151.00284	12.0
152.01024	1.2
160.03885	3.8
161.02354	1.8
163.00359	1.0
169.01280	3.0
178.99771	12.0
187.00296	0.7
187.02681	1.8
188.03484	1.1
199.03941	1.3
199.71178	0.6
215.03543	0.9
227.03412	2.6
229.34590	0.9
232.02472	0.7
243.02985	3.5
255.02945	8.0
256.03329	1.4
267.02957	1.4
271.02484	20.0
272.03122	3.3
273.04022	1.9
282.04181	1.2
283.02478	2.7
284.02994	1.6
285.03979	1.8
294.04062	2.2
295.02368	4.2
297.03937	0.6
299.01981	38.5
300.02704	22.3
301.03519	21.9
302.03821	1.8
310.03650	1.8
312.02655	1.5
313.03519	6.4
322.03506	4.9
323.04178	1.7
324.04999	1.1
339.03845	19.5
340.00702	1.1
340.04623	17.5
341.04950	1.2
419.09854	1.4
446.08490	9.6
447.09305	28.1
448.09760	2.4
458.39154	0.8
486.10413	100.0
487.10855	9.1
487.17545	1.3
589.32617	0.7
595.15717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99704	1.6
69.03339	2.9
69.37376	7.9
69.37801	5.2
71.01259	38.2
72.83073	1.2
72.99187	3.4
73.02825	6.1
75.00749	4.5
79.05431	1.6
81.03331	1.8
83.01279	8.8
83.04866	1.3
85.02829	18.0
87.00757	4.4
89.02329	20.4
93.03361	2.8
95.01261	4.3
95.04929	1.7
96.95914	6.0
99.00761	5.7
99.04411	3.6
100.03894	1.2
101.02327	15.6
103.03876	1.3
107.04886	3.2
108.02064	6.5
109.02837	8.1
111.04408	2.2
113.02336	13.9
115.00274	1.3
116.76462	1.4
119.03398	5.7
119.04932	7.2
120.05667	1.3
121.02840	5.2
122.03651	2.7
123.00784	1.8
123.04403	4.0
125.02322	2.6
131.03413	2.8
134.03616	3.7
135.04378	1.9
137.02307	2.2
139.03935	2.2
143.03424	2.4
145.02888	1.7
147.04482	1.5
149.02351	5.4
149.04521	1.3
149.06000	2.8
150.03128	8.5
151.00371	1.7
151.03906	2.8
152.01050	6.9
153.01842	7.2
157.06470	2.4
158.03658	2.3
159.04430	7.1
160.01564	3.0
160.05212	28.3
161.04532	2.4
161.05989	7.6
161.09677	2.1
161.13297	8.7
163.03931	12.1
163.07619	2.0
164.04692	7.1
165.05434	1.8
173.05975	2.5
175.00212	1.5
175.03929	3.8
175.06087	1.6
175.07579	24.2
176.07896	1.6
177.05530	6.7
178.06264	9.9
179.05466	2.0
181.16063	1.2
185.09659	1.9
185.13206	1.4
187.11224	24.1
188.11566	2.5
190.02634	4.1
191.03102	1.5
193.04990	2.3
193.08629	8.1
203.05685	2.3
205.04999	3.2
205.08701	1.7
205.12292	8.8
209.11717	2.2
211.13211	1.5
213.09178	1.9
223.06078	3.1
229.12335	3.1
231.10268	2.3
247.13376	1.5
249.11443	6.5
277.05643	2.1
291.12497	1.7
314.11435	1.5
315.07156	2.4
315.11880	2.0
315.14890	2.7
327.12314	2.8
328.12833	3.5
329.13910	100.0
330.14334	5.7
337.11404	1.7
339.12244	1.7
341.13782	2.8
349.16507	1.4
359.14966	11.6
393.15479	5.8
394.15836	1.3
490.35028	1.5
491.20694	1.5
521.20361	2.5
564.23004	1.5
585.08997	1.4
620.56354	1.4
723.30109	6.2
753.31177	44.3
754.31036	7.3
903.35657	1.6
933.36108	23.1
934.36310	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	933.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99704	1.6
69.03339	2.9
69.37376	7.9
69.37801	5.2
71.01259	38.2
72.83073	1.2
72.99187	3.4
73.02825	6.1
75.00749	4.5
79.05431	1.6
81.03331	1.8
83.01279	8.8
83.04866	1.3
85.02829	18.0
87.00757	4.4
89.02329	20.4
93.03361	2.8
95.01261	4.3
95.04929	1.7
96.95914	6.0
99.00761	5.7
99.04411	3.6
100.03894	1.2
101.02327	15.6
103.03876	1.3
107.04886	3.2
108.02064	6.5
109.02837	8.1
111.04408	2.2
113.02336	13.9
115.00274	1.3
116.76462	1.4
119.03398	5.7
119.04932	7.2
120.05667	1.3
121.02840	5.2
122.03651	2.7
123.00784	1.8
123.04403	4.0
125.02322	2.6
131.03413	2.8
134.03616	3.7
135.04378	1.9
137.02307	2.2
139.03935	2.2
143.03424	2.4
145.02888	1.7
147.04482	1.5
149.02351	5.4
149.04521	1.3
149.06000	2.8
150.03128	8.5
151.00371	1.7
151.03906	2.8
152.01050	6.9
153.01842	7.2
157.06470	2.4
158.03658	2.3
159.04430	7.1
160.01564	3.0
160.05212	28.3
161.04532	2.4
161.05989	7.6
161.09677	2.1
161.13297	8.7
163.03931	12.1
163.07619	2.0
164.04692	7.1
165.05434	1.8
173.05975	2.5
175.00212	1.5
175.03929	3.8
175.06087	1.6
175.07579	24.2
176.07896	1.6
177.05530	6.7
178.06264	9.9
179.05466	2.0
181.16063	1.2
185.09659	1.9
185.13206	1.4
187.11224	24.1
188.11566	2.5
190.02634	4.1
191.03102	1.5
193.04990	2.3
193.08629	8.1
203.05685	2.3
205.04999	3.2
205.08701	1.7
205.12292	8.8
209.11717	2.2
211.13211	1.5
213.09178	1.9
223.06078	3.1
229.12335	3.1
231.10268	2.3
247.13376	1.5
249.11443	6.5
277.05643	2.1
291.12497	1.7
314.11435	1.5
315.07156	2.4
315.11880	2.0
315.14890	2.7
327.12314	2.8
328.12833	3.5
329.13910	100.0
330.14334	5.7
337.11404	1.7
339.12244	1.7
341.13782	2.8
349.16507	1.4
359.14966	11.6
393.15479	5.8
394.15836	1.3
490.35028	1.5
491.20694	1.5
521.20361	2.5
564.23004	1.5
585.08997	1.4
620.56354	1.4
723.30109	6.2
753.31177	44.3
754.31036	7.3
903.35657	1.6
933.36108	23.1
934.36310	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	931.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01766	0.8
69.26804	6.6
71.01258	1.7
75.21694	0.6
81.03362	0.7
83.04903	0.9
85.02820	2.2
85.50434	0.6
87.00768	1.5
93.03335	14.1
100.83721	0.6
109.02829	1.1
111.04413	5.3
113.02362	0.9
117.03351	5.7
119.04922	25.4
120.05234	1.0
127.03912	1.0
132.16959	0.6
137.02342	2.6
142.97577	0.6
145.02856	24.3
146.03194	1.2
155.03404	5.4
162.15210	0.6
163.03920	17.9
173.04478	41.0
174.04843	1.5
191.03761	0.7
191.05545	17.4
233.06630	100.0
234.06859	2.8
272.51376	0.6
319.08246	39.4
320.08746	1.9
337.09256	3.9
376.25995	0.7
379.10358	14.7
413.10907	0.7
464.70035	0.6
507.21265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
70.22238	23.8
71.01250	16.7
89.02334	10.0
101.02321	8.5
104.92598	5.1
108.30923	5.9
135.55000	6.7
139.82767	6.9
158.77486	5.5
163.11125	7.3
195.38083	6.8
209.11784	100.0
211.13446	11.2
227.12845	21.6
255.23206	50.3
379.12408	14.9
397.13666	52.9
415.14316	13.1
437.78128	9.1
461.90305	6.3
520.17004	7.4
589.25122	10.4
607.25348	6.5
653.37628	15.8
656.03107	6.7
668.91229	6.8
755.07935	7.6
931.50848	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.246
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01246	7.3
71.57429	2.2
73.02835	2.6
83.01254	2.0
84.86308	1.2
85.02815	4.7
86.74726	1.3
87.00746	2.2
89.02328	2.5
93.03343	2.9
96.95882	5.5
99.00792	1.4
101.02328	2.5
108.02029	1.6
109.02830	1.9
113.02307	4.1
117.03332	3.2
119.04919	76.1
120.05207	2.2
125.02369	1.6
130.73773	1.3
132.02039	6.3
134.03621	13.2
137.02333	3.0
145.02855	9.5
149.05972	4.1
151.00287	1.9
151.03801	1.9
153.01883	2.2
160.01563	21.7
161.02324	2.0
163.00287	2.9
163.03926	74.5
164.04298	2.4
166.19855	1.4
173.04568	1.8
175.02475	2.6
175.03915	26.9
177.05380	1.3
178.02637	4.2
187.03859	1.6
193.05003	16.6
203.34459	1.5
213.05507	1.7
227.03468	32.2
228.03865	2.1
229.04997	6.3
255.02986	53.0
256.03622	7.4
257.04523	4.4
284.03275	59.6
285.04037	57.7
286.04330	4.2
307.08212	5.1
323.07803	2.5
337.09314	29.6
338.09665	2.2
431.09839	100.0
432.10184	8.4
497.93298	1.5
501.13974	85.7
502.14276	9.2
879.67255	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	931.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00212	0.8
71.58347	0.4
72.99201	0.4
75.64996	0.3
83.01263	0.9
85.02811	0.3
89.02314	0.4
93.03328	0.9
95.01256	0.4
96.95869	0.5
107.01264	1.3
108.02081	0.3
109.02822	0.4
109.80280	0.3
113.02324	0.5
117.03363	0.6
119.04938	0.6
132.02055	1.2
133.02890	0.4
134.03621	0.7
135.00832	0.4
135.04419	0.5
137.02405	0.4
143.04881	0.6
145.02815	0.3
151.00285	3.4
153.01865	0.7
154.04120	0.4
155.04987	0.5
159.04422	0.6
160.01572	4.0
161.02301	1.3
163.00252	1.0
164.01045	0.3
165.01889	0.3
169.01326	0.9
169.06499	0.6
175.03894	2.7
179.03432	0.4
183.04443	1.0
185.05980	0.9
187.03917	1.0
191.05565	0.4
191.07146	0.4
196.05240	0.4
197.06140	0.5
199.03870	0.5
201.05379	0.6
211.03917	1.3
212.04733	0.4
213.05441	0.5
214.02892	0.5
215.03574	0.4
227.03445	10.6
228.03938	0.7
229.05040	2.6
239.03424	1.1
240.04222	0.6
241.05006	1.0
255.02974	24.8
256.03421	2.5
257.04599	2.3
267.02975	0.4
271.02539	0.7
283.02499	14.9
284.03271	23.4
285.04041	100.0
286.04416	5.8
299.02307	0.5
299.05527	3.8
300.02765	0.5
301.03482	0.4
313.03629	0.5
316.50720	0.3
323.07788	2.1
327.05115	1.3
447.08884	0.5
563.14117	1.4
571.58582	0.3
593.15131	31.4
594.15344	4.0
623.14050	30.9
624.14319	4.6
628.02179	0.4
856.79089	0.3
857.47406	0.3
896.51123	0.4
931.24695	3.7
932.25623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39483	1.8
69.39884	7.1
71.01257	17.2
73.02831	2.2
75.00800	1.1
80.96418	1.3
83.01241	1.6
85.02831	3.6
87.00761	4.4
88.98686	1.1
89.02316	12.4
95.01279	1.6
97.02831	3.2
99.00768	1.3
101.02312	10.5
101.02907	0.9
113.02322	6.1
119.03428	2.9
124.73512	0.8
125.02325	5.6
131.03415	1.1
143.03453	2.3
161.04480	2.1
179.05573	4.2
183.13850	6.1
193.12291	2.0
209.11804	2.8
211.13351	100.0
212.13673	3.2
220.87309	1.0
235.08189	4.9
246.55615	1.0
255.23218	1.3
277.21729	47.5
278.22037	3.3
287.07950	1.3
305.08911	2.0
379.12421	9.2
395.72900	1.0
397.13495	34.3
398.14038	1.2
404.03442	1.2
415.14536	7.7
423.79718	0.9
570.73254	1.3
591.26556	5.4
609.27655	5.9
675.36096	1.3
834.83502	1.1
929.49097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45107	1.6
69.45533	2.4
73.47968	0.5
96.51423	0.5
107.01244	1.7
108.02073	0.5
109.02817	1.1
121.02814	1.5
148.01604	0.6
151.00281	7.0
158.83705	0.5
163.00296	1.8
164.00986	0.5
169.01251	0.5
178.99785	3.3
201.05463	0.5
211.04030	0.6
226.02702	1.1
227.03407	1.6
243.02959	5.7
244.03038	0.5
254.02168	0.9
255.02971	16.4
256.03275	0.9
271.02469	36.6
272.02798	2.3
273.03748	0.5
283.02499	0.8
299.01883	1.4
300.02747	60.6
301.03497	29.6
302.03793	1.9
375.30060	0.5
463.08829	100.0
464.09082	8.4
474.62589	0.5
580.96033	0.5
779.79395	0.6
875.75250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00200	0.7
69.97105	3.5
70.25391	0.6
71.01237	1.0
71.04903	3.1
83.01238	0.9
95.04897	8.1
97.02834	10.7
98.20591	0.8
107.01290	1.0
108.02053	1.5
109.02842	7.8
115.03922	1.7
121.02814	1.1
135.22151	0.7
137.56416	0.6
139.02837	1.3
139.03914	25.0
151.00282	3.0
153.01852	20.2
165.01845	11.6
178.99797	1.5
183.02917	43.2
184.03282	1.4
227.03519	1.5
233.06570	1.2
243.02986	6.9
244.03256	1.0
254.02065	1.3
255.02983	17.3
256.03387	1.2
258.21808	0.7
261.45441	0.7
267.71527	0.6
271.02496	40.7
272.02991	3.3
299.01877	1.6
300.02762	83.6
301.03305	7.6
319.04581	11.0
319.08270	0.7
335.00873	0.6
486.05490	0.8
609.14624	100.0
610.14893	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	0.6
65.17465	0.1
68.59869	0.2
69.56371	1.3
77.27612	0.2
83.01252	0.4
92.09887	0.2
93.03293	0.2
107.01271	1.7
108.02042	0.8
109.02835	0.7
119.01234	0.2
121.02847	1.1
123.00838	0.2
124.01545	0.4
125.02314	0.3
135.00757	0.3
137.02330	0.6
148.01527	0.8
149.02327	0.4
151.00273	7.8
153.01834	0.2
163.00296	1.8
164.01051	0.6
169.01320	0.7
175.03957	0.2
178.99794	4.2
179.14935	0.2
183.04443	0.3
187.03934	0.3
189.01976	0.3
192.00519	0.4
193.01321	0.3
199.03915	0.5
201.05446	0.2
203.03415	0.3
211.03923	0.5
214.02643	0.7
215.03444	0.5
216.04262	0.3
226.02675	0.9
227.03455	1.8
229.04948	0.5
242.02191	0.4
243.02983	6.3
244.03499	0.7
245.04520	0.5
254.02167	1.4
255.02971	15.5
256.03391	0.9
259.02515	0.4
270.01685	0.7
271.02475	36.5
272.02936	2.7
273.03909	0.8
283.02444	0.6
287.02048	1.7
288.02539	0.4
299.02063	1.2
300.02744	85.3
301.03470	32.2
302.03909	1.6
315.01456	0.2
316.02225	11.4
317.02863	2.8
343.04608	0.3
462.07776	0.2
463.08817	100.0
464.09134	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	925.539
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93528	11.4
71.01264	75.4
72.99164	2.9
73.02826	3.4
79.95615	8.8
80.96402	10.1
81.95196	4.3
82.95959	2.9
85.00041	1.9
85.02832	5.2
87.00769	4.8
89.02331	10.9
94.97971	2.6
97.02819	5.0
98.19803	4.2
99.92449	2.0
101.02345	11.9
109.06487	3.5
113.02326	8.2
116.92743	13.1
125.02346	5.2
125.09676	2.2
127.11163	2.3
143.03413	3.2
160.44272	2.0
161.04492	2.9
163.11206	2.5
171.10194	36.7
189.01653	2.1
199.09703	8.3
201.11263	8.4
207.10246	13.1
209.11755	2.6
225.00687	4.3
225.11292	7.4
235.08199	2.4
253.57941	2.6
277.21753	100.0
278.22067	6.1
283.26440	45.0
284.26718	2.8
316.55338	2.1
340.25607	2.1
379.12350	2.6
397.13614	24.7
415.14481	8.7
634.73029	2.7
750.42181	3.1
751.41663	5.7
847.12347	2.7
889.52264	3.2
925.43604	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	927.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00197	6.3
70.41070	1.0
81.81319	0.8
83.01251	4.0
93.03332	1.3
95.01271	2.2
96.99164	0.9
106.00486	2.9
107.01276	11.8
108.02089	1.1
109.02841	9.5
109.99959	2.5
111.00768	4.0
121.02835	1.2
123.00728	2.6
124.98675	1.7
125.02368	2.3
135.00737	1.0
136.98697	1.3
137.02309	1.6
137.99489	1.8
139.00269	7.6
141.01817	1.2
145.02927	1.2
148.01468	1.6
148.98703	1.4
149.02364	1.5
149.99522	2.7
151.00287	49.3
151.01517	2.5
152.00890	1.8
153.01839	5.3
154.99774	2.4
159.04353	2.1
161.02386	1.6
163.00287	2.8
164.01033	2.0
164.98222	1.3
165.98990	4.2
166.99744	4.5
168.00583	3.6
169.01352	3.2
173.02435	1.1
174.03137	1.4
175.03928	3.3
176.08754	1.0
177.01849	1.9
177.99036	4.2
178.99788	80.0
180.00134	3.8
181.01332	1.8
181.98476	1.2
187.03917	4.2
189.02000	1.1
191.03476	1.3
192.00584	1.2
193.01315	2.1
194.99261	5.6
197.00813	3.0
199.03860	2.1
201.01915	1.4
203.03380	5.4
204.97632	1.7
209.77750	1.0
214.02437	1.1
215.03473	3.6
217.05048	1.3
219.02954	1.1
222.98752	2.3
227.03413	3.0
229.01399	1.3
231.02943	5.5
232.03694	4.9
233.04555	4.8
242.02203	2.0
243.03053	6.6
245.01015	1.0
245.04529	4.4
247.02368	1.2
255.02989	7.9
256.03369	1.9
258.01685	1.5
259.02457	2.9
261.04300	1.1
271.02475	19.5
272.02881	6.3
286.01041	2.1
287.02005	29.5
288.02496	4.1
289.03668	7.7
297.00424	2.3
299.01880	7.6
300.02731	21.9
301.03476	21.4
302.03665	5.3
303.01489	2.8
315.01477	79.5
316.02170	24.7
317.03003	17.4
318.03558	2.0
327.07272	2.4
332.01724	14.9
333.02472	11.3
343.06689	4.9
379.10364	2.4
435.09271	3.7
447.09308	32.9
448.09677	12.7
449.09979	6.0
451.08417	1.4
461.07153	2.8
462.07785	1.8
463.08841	50.0
464.08994	3.8
477.20132	1.5
478.10980	1.7
479.08319	100.0
480.08661	9.5
727.93909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00206	1.1
71.26342	0.3
83.01286	0.5
87.70061	0.3
91.01755	0.4
91.49940	0.3
107.01279	2.4
108.02068	0.7
109.02850	1.4
121.02843	1.5
134.31206	0.3
135.00775	0.4
145.02855	0.4
148.01604	0.4
151.00276	10.6
152.00842	0.3
153.01886	0.6
157.06528	0.4
163.00250	2.6
164.01082	0.7
169.01308	0.6
178.99771	5.1
183.04424	0.5
187.03973	0.5
190.99765	0.5
194.99368	0.6
199.03906	0.9
211.03981	1.5
215.03407	0.5
221.96367	0.4
226.02631	1.1
227.03511	2.8
228.04082	0.4
229.05034	0.9
240.04178	0.4
243.02969	6.4
244.03557	0.7
245.04474	1.6
254.02269	1.3
255.02989	14.6
256.03458	0.9
271.02484	37.0
272.02927	3.1
273.04025	1.1
275.02106	0.4
283.02521	1.8
287.02060	0.8
299.01984	13.9
300.02750	59.0
301.03510	43.0
302.03876	1.7
303.01431	0.9
315.01556	0.6
315.05069	7.8
331.00885	0.7
447.09326	100.0
448.09668	8.6
450.51852	0.4
462.08130	1.9
463.08728	0.6
477.10620	16.8
477.20206	0.7
478.10678	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	923.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87312	1.5
69.58704	10.3
71.01256	9.9
72.12056	1.7
73.02789	2.1
78.98438	7.3
79.95607	100.0
80.96393	100.0
85.02802	7.3
87.00742	5.4
94.97958	23.0
97.02823	3.3
98.19833	1.8
99.83637	1.6
101.02294	4.7
106.97958	5.2
116.92718	1.8
122.97471	5.8
125.02314	5.7
134.97487	8.2
136.98984	4.6
148.99049	10.7
152.98521	11.9
161.04446	2.8
164.98529	15.3
174.01591	4.5
179.00121	2.8
192.07047	1.6
206.99629	6.8
210.29051	1.6
225.00702	45.3
241.00113	3.6
251.12227	1.9
255.23164	6.1
256.23343	1.9
283.04861	7.0
293.21140	2.8
300.92169	1.6
341.05408	3.9
347.03156	1.9
355.06900	5.7
383.10184	1.7
397.13583	3.2
411.13126	9.0
493.17386	2.6
537.27271	6.5
553.26923	2.7
555.26483	1.8
609.29163	7.0
623.31104	6.3
665.36292	2.7
679.37329	6.8
719.39862	2.9
728.61395	1.9
747.39917	2.5
748.40869	17.2
749.41534	70.4
750.41589	6.9
877.41119	2.0
905.42059	6.8
923.42999	98.6
924.42828	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	921.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00209	2.1
71.01249	19.7
71.15846	5.0
73.02814	2.6
83.01233	2.1
85.02852	4.8
87.00764	4.5
89.02328	5.9
93.13229	2.0
93.30376	2.0
97.02834	8.8
97.35945	1.9
99.00751	20.2
101.02343	12.9
110.03572	2.3
113.02341	4.1
116.92752	4.0
117.04446	1.8
125.02342	6.2
125.09623	8.0
163.11203	6.2
181.12270	14.7
199.13379	2.9
207.10208	47.8
213.58472	2.2
225.11304	70.4
235.08340	2.7
243.12352	27.7
255.23271	68.1
256.23663	2.9
379.12732	4.0
397.13464	11.7
605.24414	21.5
623.25580	10.6
861.48578	100.0
862.48950	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	921.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06893	2.8
70.07288	2.6
71.01255	20.2
72.99195	1.4
73.02822	11.7
74.95859	1.1
75.00751	1.9
82.55366	1.1
83.01241	5.5
85.02836	6.4
85.11279	1.1
87.00739	1.7
89.02312	6.2
93.03358	1.3
95.04871	1.1
97.02802	1.4
99.00759	30.3
101.02322	20.4
107.04939	1.6
109.02845	3.4
113.02348	8.5
121.02829	1.1
123.00789	2.7
123.04363	2.0
124.01546	2.7
125.02362	3.3
131.03337	1.4
133.02794	1.7
137.02356	11.0
138.03061	1.4
139.00162	2.8
139.03900	3.0
143.03386	2.5
147.04497	1.7
149.02339	3.3
150.03105	1.8
151.00276	29.4
151.03917	8.0
152.01041	4.5
152.04652	2.3
160.01543	2.4
160.02657	1.4
161.02353	15.8
161.04480	4.8
162.03105	1.7
163.03877	2.2
164.04688	2.6
165.01898	2.2
165.05475	2.8
166.02635	78.8
167.03281	4.6
173.02440	1.4
175.03889	6.9
176.04703	14.5
177.01862	4.0
177.05534	2.4
178.02615	2.5
179.03429	34.2
180.04050	1.7
181.04996	69.8
181.08406	2.3
182.05341	3.4
190.02643	4.2
190.06245	2.3
191.03455	5.2
191.05507	6.2
191.07097	7.3
192.04074	2.5
193.04941	3.1
194.05785	39.2
195.06458	3.5
199.03905	1.2
203.03482	1.5
205.05003	11.2
205.08646	1.4
206.05756	6.0
207.06541	2.4
209.08136	100.0
209.11555	2.7
210.08374	4.4
217.05063	1.3
219.06552	3.1
220.07307	2.9
221.08121	5.8
227.03484	1.9
243.02960	1.4
255.03020	4.0
271.02478	21.6
272.02612	1.6
283.02237	1.6
293.08768	3.9
299.01978	26.8
300.02731	11.2
301.03342	2.9
314.04315	1.4
315.05051	6.7
339.08704	2.0
343.11456	1.4
359.11203	2.3
367.10175	1.2
369.09543	1.5
372.12112	3.8
373.13055	1.3
384.12137	1.6
387.10248	14.8
387.15390	9.7
388.11359	2.3
399.14493	4.3
402.13010	10.8
403.13989	8.7
417.15540	39.8
418.16049	3.7
447.08987	2.4
503.17706	87.0
504.18127	7.0
509.05771	1.5
575.14575	2.1
591.13794	9.7
592.13757	1.6
609.14447	5.2
627.24414	13.1
628.24036	1.3
891.32214	2.4
903.31000	2.0
921.33362	36.5
922.33002	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	921.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00203	3.2
71.01250	1.3
75.27393	0.6
81.81326	0.7
83.01284	1.9
83.92644	0.7
89.02343	0.8
91.20174	0.6
93.03388	0.8
98.20545	2.3
107.01304	3.7
109.02862	2.6
121.02876	2.2
125.02323	1.1
125.16934	0.6
133.02885	1.0
145.02917	0.9
147.00833	0.9
148.21342	0.7
149.02370	0.9
151.00284	13.9
152.00764	0.6
163.00276	0.7
163.03938	1.0
169.01347	2.0
171.04459	1.1
171.99698	0.7
174.03313	0.7
175.00327	1.3
175.04021	1.4
178.99808	4.0
199.03992	4.5
201.01871	1.0
203.03346	0.9
215.03476	2.2
226.02718	1.9
227.03430	5.0
242.02036	1.0
243.02945	7.1
254.02124	2.7
255.03015	5.1
256.03635	0.9
271.02490	60.2
272.02774	3.2
273.03986	1.0
284.03244	1.9
299.01981	65.6
300.02728	39.9
301.03543	100.0
302.03851	5.7
313.03571	0.9
343.04474	1.1
365.61298	0.7
447.09305	38.1
448.09720	2.7
759.24817	1.5
771.08466	0.8
774.24438	2.4
775.24445	12.9
776.24963	1.3
921.30237	42.8
922.30261	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	921.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	1.3
69.27274	0.9
69.27670	5.1
71.01270	1.4
83.01286	0.5
92.96635	0.5
101.02335	0.5
105.35637	0.5
107.01273	2.0
107.13095	0.5
108.02055	0.6
108.89468	0.6
109.02861	1.4
121.02844	1.9
150.71306	0.5
151.00284	10.0
151.01508	0.8
163.00285	2.1
169.01375	0.8
172.00999	0.5
178.99796	4.2
204.74554	0.5
227.03491	2.0
243.02927	5.2
245.04572	1.5
254.02168	1.6
255.03003	12.1
256.03552	0.7
271.02509	26.6
272.02948	2.4
273.04071	1.0
279.55362	0.5
283.02518	1.4
299.02087	1.1
300.02780	56.5
301.03540	44.6
302.03970	3.5
429.21149	0.6
447.09348	100.0
448.09680	9.3
449.10324	0.8
472.08536	0.5
473.16611	2.5
532.67670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01273	27.5
71.14869	20.4
84.47861	11.4
89.02304	9.1
101.02341	10.9
103.60413	9.7
223.13353	100.0
235.08118	8.9
236.89590	9.4
255.23201	74.2
268.47629	8.1
300.36206	10.6
397.13409	56.1
415.14307	16.8
601.38013	10.7
603.26514	13.4
880.36029	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	921.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00184	1.0
71.01250	1.6
71.58212	0.6
71.73283	0.5
74.20184	0.5
74.48374	0.4
75.12945	0.5
83.01269	0.9
85.02840	0.9
93.03329	1.0
96.95895	0.5
99.00756	0.7
101.02286	0.6
107.01262	2.2
108.02094	1.2
109.02843	1.8
111.00773	0.6
113.02338	1.1
121.02853	2.1
137.02359	0.6
148.01556	0.8
151.00281	9.0
151.01390	1.0
152.00989	0.6
163.00276	2.0
164.01024	0.7
169.01352	1.2
178.99792	5.5
211.03938	1.1
215.03372	0.5
226.02769	0.6
227.03429	1.6
229.04948	0.8
239.03499	0.8
243.03009	4.8
245.04538	2.0
254.02304	1.2
255.02992	16.3
256.03342	1.2
271.02493	31.6
272.02951	3.3
273.04004	1.5
283.02463	1.7
284.76978	0.6
299.02072	1.5
300.02765	64.4
301.03519	48.8
302.03998	3.4
310.01196	0.8
321.67474	0.6
369.19217	1.3
387.19965	0.7
447.09326	100.0
448.03778	0.9
448.09674	10.0
449.10043	1.0
463.08707	1.3
473.07956	1.0
473.16641	5.0
843.34155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	100.0
73.02829	4.8
75.81256	1.9
77.15993	1.7
78.95811	4.3
79.95628	1.8
80.91573	3.7
80.96391	3.1
83.01254	2.4
83.04898	3.1
85.02811	8.1
87.00756	7.1
89.02328	20.8
95.01268	2.4
96.95917	5.6
97.02806	6.9
99.00737	4.6
101.02318	19.5
109.06477	7.9
109.82562	2.1
113.02333	9.8
119.03437	3.3
125.02327	7.5
125.09618	3.7
127.11181	2.2
127.35935	2.1
137.09656	2.1
155.10640	2.9
161.04439	2.5
163.11180	4.9
164.75104	2.1
171.08740	4.2
171.10191	57.4
172.10541	2.7
179.05563	6.9
181.12224	4.2
183.72456	2.1
197.11781	4.7
199.09761	15.7
201.11253	25.7
207.10223	23.7
208.10638	2.6
211.13396	2.6
221.06677	3.6
225.11259	22.9
233.11552	2.2
234.47470	2.3
235.08228	7.0
243.12451	2.8
265.14764	4.4
277.21771	51.6
278.22043	3.7
291.19656	5.1
309.20715	6.8
314.94107	2.0
379.12305	4.8
397.13565	32.8
398.13672	3.0
415.14587	8.7
462.98984	2.3
464.86148	2.2
474.89862	2.2
597.24249	2.7
623.26111	5.6
857.46399	2.7
883.46857	9.8
884.47137	3.4
919.48798	21.8
920.49152	5.7
945.84387	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	917.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	0.8
73.02861	0.3
79.95602	0.4
80.96390	0.4
85.02799	0.2
93.28837	0.2
95.04906	0.3
96.95897	0.8
98.20589	0.5
101.02338	0.3
111.08053	0.5
112.02002	0.2
113.09597	0.5
155.16484	0.2
164.47165	0.3
167.10760	0.4
169.12381	0.4
177.12823	0.3
179.14331	0.6
195.13844	6.9
195.15562	0.5
196.14503	0.5
205.12241	0.7
211.13361	0.7
223.13368	5.9
224.13892	0.6
228.13611	0.7
229.79501	0.3
249.22112	0.3
256.13129	1.4
265.21698	0.5
275.20160	3.0
293.21249	100.0
294.21594	6.5
361.06863	0.3
387.25995	0.3
580.45178	0.3
593.92126	0.3
623.34259	1.5
917.46875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64815	1.6
69.03335	2.6
71.01260	100.0
71.49872	1.7
71.50194	2.7
72.99190	3.1
73.02824	5.3
78.95770	3.4
82.95294	3.1
83.01266	2.6
85.02837	7.5
85.15456	1.6
87.00750	7.1
89.02328	14.6
97.02843	4.7
99.00770	3.1
101.02333	12.7
109.06467	5.8
113.02337	9.8
119.03432	4.8
125.02319	9.9
125.09670	1.8
127.11150	3.6
133.15750	1.6
143.03438	3.6
155.10654	2.1
161.04428	3.3
163.11176	3.3
171.10193	64.6
172.10506	2.4
179.05515	2.8
181.12253	2.1
199.09743	15.9
200.09930	2.1
201.11273	19.3
207.10234	16.0
209.11801	1.8
211.13449	1.8
215.12883	2.1
225.11301	16.2
235.08202	6.5
277.21725	56.1
278.22229	3.1
293.21182	6.2
294.21396	3.4
295.22745	1.6
379.12482	5.6
397.13519	30.0
398.14059	2.3
415.14554	10.2
597.24652	2.1
623.25043	3.7
883.46283	10.2
884.45935	3.1
919.49628	11.8
920.49194	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	917.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27499	2.1
69.27917	7.0
71.01263	3.7
72.97588	0.7
75.72012	0.7
78.95776	1.7
79.95610	1.9
80.96399	1.6
87.00751	4.1
89.02350	0.9
96.95900	3.4
97.06493	0.7
98.19792	1.5
105.00076	0.8
120.01138	1.9
121.10126	16.1
147.29364	0.8
152.57622	0.8
171.10191	42.6
172.10471	1.2
177.16272	0.9
185.11734	1.8
192.03323	1.4
197.11850	1.3
209.11758	2.9
211.13313	1.4
231.21133	3.3
275.20178	76.9
276.20459	4.8
277.21802	1.3
293.21259	100.0
294.21579	8.1
309.20639	2.1
387.25494	2.2
397.13419	1.2
405.26331	1.8
482.07465	0.8
619.63086	0.9
623.34418	10.0
624.35040	1.7
646.71356	0.9
678.51746	0.9
767.59912	0.9
917.46167	4.1
918.46552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
68.51285	2.8
71.01266	23.6
71.57633	2.9
78.91765	4.7
78.95786	7.1
80.96397	6.7
82.55298	2.4
83.04897	4.4
85.02850	6.3
87.00751	6.5
89.02319	7.8
92.14217	2.2
96.95888	16.3
96.96835	3.7
97.02859	3.5
101.02337	11.2
109.06508	2.9
113.02335	7.0
116.07586	2.8
125.02374	4.6
129.01785	2.6
135.48645	2.7
142.99770	3.5
161.04539	3.8
171.10234	2.6
174.01508	3.7
179.05672	3.3
197.11978	3.0
201.11345	2.7
207.10249	3.5
209.11789	100.0
210.11954	2.9
211.13304	8.8
222.20934	2.8
227.12936	12.2
235.08141	5.8
277.21747	45.4
278.21927	4.3
293.21179	5.4
297.43155	3.0
326.32416	2.7
379.12476	7.9
397.13553	31.1
415.14737	5.8
762.29761	3.0
917.47046	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	917.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72767	5.5
71.01258	51.7
71.57605	9.8
71.57969	6.1
72.99185	9.2
76.13913	5.7
78.95783	24.1
79.95603	8.1
80.91595	6.1
80.96402	20.4
85.02831	9.2
87.00757	15.0
89.02320	22.5
91.60749	6.1
92.86771	5.5
94.97958	8.7
99.00751	7.1
101.02337	28.5
113.02316	13.5
119.84029	6.7
125.02364	8.3
127.11163	10.9
134.04691	16.7
134.05701	6.2
152.99544	7.7
172.71783	6.5
201.11259	85.4
209.11778	84.8
211.13367	10.4
227.12900	25.2
235.08263	9.5
237.11267	9.7
241.01248	10.4
255.23303	81.7
273.57623	7.3
277.21677	16.0
293.21133	9.1
313.22638	6.7
379.12439	19.4
397.13528	100.0
415.14651	15.6
589.25085	11.1
636.88440	7.5
653.37537	23.1
782.41772	7.3
805.16797	7.8
837.48486	18.3
917.47668	78.2
918.49487	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	917.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	38.2
72.99184	14.0
78.95783	15.8
79.95626	7.3
80.91570	4.3
80.96398	13.1
83.01286	4.6
85.02851	7.0
87.00758	27.7
88.00303	4.2
89.02345	12.3
94.97969	13.1
96.96857	5.0
99.00762	13.0
101.02330	14.3
111.00765	4.6
112.98710	28.1
113.02335	7.7
115.00262	16.0
129.01801	3.5
134.04573	17.0
142.99789	34.0
152.99503	10.7
161.04552	5.2
171.10170	5.3
173.00780	10.5
174.01631	38.5
175.02434	25.2
179.05562	5.0
184.66026	3.4
199.13322	5.5
201.11307	49.5
207.10307	4.7
209.11777	55.2
209.13672	2.5
210.12103	5.0
211.13347	71.0
212.13623	5.4
225.11197	6.3
227.12852	14.8
235.08179	14.3
249.43065	4.7
253.09358	7.0
255.23245	57.2
277.21729	100.0
278.22040	6.8
293.21375	6.7
298.15094	3.7
307.19461	4.3
379.12445	10.8
384.69632	4.4
397.13626	42.9
398.13779	5.2
415.14374	9.3
483.27133	13.5
581.24878	5.7
589.25659	4.3
653.37640	11.1
707.43634	10.2
745.41656	4.9
763.42468	6.6
777.43744	5.1
782.42896	4.0
803.42267	6.7
821.44104	4.9
822.43652	5.0
837.49573	7.8
866.67426	4.3
917.47662	25.7
918.46942	7.1
932.15448	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	917.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99718	1.1
69.03338	1.8
69.33976	3.2
69.34393	8.3
71.00912	0.8
71.01253	23.8
72.99173	2.4
73.02811	4.0
75.50365	1.3
80.96394	1.2
81.03318	1.3
83.01244	3.0
83.04870	2.1
85.02834	5.2
87.00738	4.2
89.02322	15.4
92.44897	1.1
93.22685	1.1
95.01260	3.2
97.02853	5.9
97.06467	1.7
99.00749	2.4
101.02319	11.5
105.01818	1.3
109.06477	1.7
111.08039	4.9
113.02332	6.5
119.03394	2.5
125.02326	4.7
125.09677	1.2
142.99840	1.6
143.03397	1.7
154.17407	1.1
161.04463	2.8
163.11194	2.7
165.12753	9.6
169.12296	2.3
171.10184	6.1
179.05446	2.4
181.12270	2.4
183.13837	55.8
184.14178	2.6
185.11765	1.3
197.11765	15.9
199.13327	2.0
201.11224	1.8
206.13106	1.0
206.70792	1.1
207.10144	3.6
209.11781	17.2
210.12170	1.7
211.13394	8.1
212.13690	2.3
221.06604	3.1
223.13362	1.7
225.11270	4.0
227.12822	8.2
235.08185	3.1
241.14365	1.9
247.20674	1.9
253.09258	1.4
263.19937	1.1
273.18417	1.5
291.19675	13.4
293.21271	9.0
294.21472	2.5
295.21759	1.4
307.19125	1.3
309.20728	22.1
310.21155	1.2
327.21677	1.3
338.10495	1.1
397.13538	14.9
415.09760	1.3
415.14389	5.1
427.01892	1.1
583.97595	1.1
607.26324	1.8
625.27130	2.8
899.46832	1.9
917.47498	100.0
918.47980	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75260	5.9
71.01250	22.5
75.70495	6.1
78.95813	12.3
80.96425	8.4
85.02848	7.2
88.36870	7.5
89.02308	10.2
96.95892	23.6
100.32816	6.9
101.02336	18.5
116.92813	8.2
119.03418	9.1
122.86322	6.7
179.05519	9.7
197.04565	8.7
199.13368	15.1
205.87938	7.4
211.13368	11.2
223.13374	100.0
255.23116	8.5
259.02725	8.0
277.21753	58.6
379.12766	15.6
397.13727	53.4
415.14240	15.9
438.74570	8.5
603.26776	13.6
621.27838	19.4
701.54395	8.6
731.18469	8.7
737.53064	7.9
773.00348	8.3
779.01123	7.6
881.49463	12.4
917.47229	41.2
918.46777	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	917.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00203	2.9
83.01269	2.3
84.72382	0.8
107.01279	6.5
108.02059	1.2
109.02849	1.7
109.14978	0.7
114.97143	0.7
119.01319	0.9
121.02849	1.8
132.29404	0.7
134.03662	0.9
136.22134	0.9
137.02354	1.1
148.01569	0.9
149.02342	1.8
150.03114	0.9
151.00284	20.4
157.02878	0.7
163.00302	1.2
164.01010	1.1
165.05568	0.9
169.01381	1.4
171.04420	2.4
173.02405	0.7
175.00275	3.7
175.03937	2.3
176.01044	1.9
178.99800	4.7
187.03920	0.9
190.02690	2.4
191.03404	2.9
198.03065	1.0
199.03934	6.8
201.01860	2.0
205.05011	1.5
209.04671	0.9
211.03902	0.7
215.03477	3.8
216.03876	0.8
226.02663	2.1
227.03505	5.1
242.02150	1.6
243.03020	8.9
254.02225	1.2
255.02885	3.9
271.02484	84.9
272.02817	5.3
283.02502	2.3
285.03799	0.9
299.01978	100.0
300.02689	35.0
301.03543	44.4
301.06329	0.7
301.13040	0.9
302.03906	1.3
313.03644	1.9
314.04169	1.2
314.34396	0.8
315.05127	15.4
353.08551	4.5
372.17535	0.8
447.09103	1.5
505.09912	13.3
519.11511	2.6
547.10645	2.3
668.13831	12.9
669.14636	47.0
670.14392	3.8
831.20355	1.1
873.20978	35.6
874.21045	4.8
917.24066	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	915.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00189	0.4
69.52599	2.9
70.92603	0.3
71.01257	0.6
75.33634	0.4
75.84451	0.3
83.01279	0.7
83.45081	0.3
85.02806	0.9
89.02341	0.4
91.01793	0.3
93.03336	0.7
98.20482	0.7
107.01254	1.2
109.02795	0.3
110.96083	0.3
119.01285	0.4
119.04901	0.8
121.02876	0.5
125.02363	0.6
135.00706	0.3
137.02448	0.5
148.01645	0.4
151.00291	3.6
152.00882	0.4
153.01886	0.5
155.05106	0.3
156.06584	0.5
163.00307	1.4
163.03929	0.9
169.01311	0.6
173.04462	0.7
174.03174	0.5
175.03903	0.4
178.99754	1.9
188.04820	0.4
190.02594	0.5
198.03241	0.4
199.03969	0.7
214.05127	0.6
226.02672	4.1
227.03542	2.2
233.06654	0.7
243.02965	11.5
254.02208	4.4
255.02896	4.3
271.02490	44.0
272.03006	3.7
273.12546	0.5
299.01877	1.3
300.02759	47.0
301.03467	11.6
302.03809	0.4
343.04541	0.8
371.12265	0.3
389.55109	0.4
418.71222	0.3
462.08237	0.8
463.08844	100.0
464.09128	6.9
717.29810	0.6
947.12476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.0
71.00898	1.7
71.01262	23.8
71.34510	1.0
71.34838	1.1
72.47255	0.8
72.99174	3.9
73.02821	3.4
75.00754	3.6
75.09266	0.9
80.02541	1.8
81.03336	4.1
83.01259	3.8
83.04913	6.6
85.02813	6.4
87.00760	6.7
89.02325	15.3
95.01289	2.5
95.04903	1.8
96.95905	1.1
97.02831	5.9
97.06477	2.4
99.00762	1.9
101.02328	14.3
109.06467	2.5
111.00780	1.2
111.08041	1.3
112.98695	2.1
113.02329	7.7
115.00267	3.0
119.03377	3.7
121.06465	0.9
123.04403	1.5
123.08051	1.2
124.01515	1.2
125.02369	5.6
125.05956	0.9
125.09580	3.7
129.01733	1.0
131.03352	1.5
135.02882	3.3
135.08026	1.4
135.73308	0.8
137.09610	1.6
139.03882	0.9
141.01932	1.1
142.99760	2.8
143.03366	3.1
151.11218	1.3
161.04425	3.3
163.11232	7.9
165.12766	4.8
167.03343	0.8
171.10182	1.9
174.01604	2.0
175.02376	3.0
177.12723	1.0
179.05510	4.3
179.10670	1.5
181.12257	2.3
183.13815	3.5
185.11745	2.5
189.12839	1.2
191.10672	1.5
191.14378	2.7
193.12216	1.2
195.13792	3.9
196.22722	0.9
196.24612	0.8
197.11766	8.4
199.13359	1.1
207.10225	6.3
209.11778	100.0
210.12099	4.8
211.13358	34.5
211.96114	1.0
212.13670	3.1
213.14993	5.2
216.41583	0.8
221.06584	2.4
223.13332	3.4
225.11305	6.8
227.12857	14.0
235.08234	5.8
235.13335	1.7
237.11432	1.7
239.12814	0.8
241.14450	13.8
245.19048	8.2
251.12816	3.7
253.09312	9.5
253.14432	1.8
259.13260	2.0
263.12897	1.8
263.20374	1.7
271.16931	1.1
275.20099	2.9
289.18130	27.1
290.18402	2.3
291.19577	3.5
292.19821	0.9
293.21240	31.4
293.24503	1.8
294.21585	3.0
305.08667	1.6
307.19159	33.0
308.19540	2.2
309.20834	4.7
311.22098	1.7
397.13483	26.5
398.13904	1.7
415.14566	8.6
416.14874	1.5
447.22116	4.0
477.23270	3.2
487.22556	0.9
607.26355	1.8
623.25946	1.0
753.43884	5.6
754.44672	1.7
799.37408	1.5
853.46295	1.8
897.45569	1.9
915.46094	16.2
916.46173	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	913.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00927	1.8
71.01262	14.8
71.05705	4.4
73.02818	2.4
73.83755	1.8
75.00742	4.1
80.15607	1.7
83.01254	2.3
85.02818	4.3
87.00742	5.0
89.02340	12.5
97.02836	2.4
101.02348	9.1
106.10658	1.9
107.54118	1.7
113.02336	3.3
119.03401	2.6
125.02323	3.0
135.02882	4.0
141.01651	4.0
171.10172	2.0
177.12764	7.9
195.13857	58.1
207.10271	1.6
209.11786	4.6
211.13342	11.6
223.13383	5.4
235.08127	1.9
239.12875	7.2
253.09187	2.9
275.20047	3.1
291.19699	3.3
293.21283	26.3
294.21442	2.3
307.19180	1.9
309.20831	5.5
325.20139	3.1
397.13464	8.2
415.14777	2.8
521.03400	1.8
637.27625	2.5
863.70435	2.1
913.48108	100.0
914.48676	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	911.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	1.6
69.50117	2.7
83.01240	0.5
93.03349	0.4
95.01277	0.7
107.01257	1.8
108.02061	1.2
109.02861	2.3
109.99984	5.2
111.00791	2.4
117.03337	0.5
121.02860	1.8
123.00777	0.9
125.02303	0.6
135.00798	0.9
136.98689	0.6
137.99504	1.8
139.00279	8.6
139.03883	0.4
145.02863	1.4
148.01552	0.6
149.02354	0.6
151.00269	8.8
152.01070	2.0
153.01813	0.7
159.04448	0.6
163.00299	2.1
164.01021	1.2
164.98143	0.6
165.01839	0.7
165.98996	8.1
166.99826	3.5
169.01311	0.5
175.79314	0.5
177.01840	0.4
178.99776	7.7
183.04451	0.7
187.03929	0.8
189.01787	0.5
193.98483	0.5
194.99303	1.1
198.03119	0.7
199.03931	1.8
201.01802	0.8
203.03296	0.6
206.99225	0.8
208.00067	0.6
211.03989	0.8
214.02588	0.6
215.03444	1.2
226.02641	1.2
227.03494	3.6
229.05069	0.6
231.02986	1.0
242.02173	1.2
243.02945	5.4
244.03539	0.9
245.04535	1.6
254.02122	0.8
255.02995	9.7
259.02408	1.4
270.01773	2.8
271.02472	29.6
272.02954	2.8
273.03967	1.4
283.02548	0.7
287.01974	10.1
287.04956	0.8
288.02576	1.2
298.01093	0.5
299.01981	10.0
300.02744	29.2
301.03491	22.3
302.03824	2.4
315.01459	1.6
316.02234	40.2
317.02988	36.3
318.03299	2.4
447.09311	49.0
448.09647	5.5
449.09769	0.7
462.07373	1.0
463.08810	100.0
464.09149	6.8
911.74066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99709	1.7
69.03329	2.0
70.01793	6.7
71.01257	20.7
72.99180	14.1
75.00750	2.7
82.48114	1.0
83.01266	5.0
83.04884	1.8
85.02832	3.1
87.00751	11.6
89.02307	2.5
97.02827	2.6
99.00765	11.3
101.02340	5.0
111.00780	2.7
111.08064	3.3
112.98697	24.6
113.02337	2.7
115.00259	18.5
124.98690	4.0
129.01811	1.5
142.99759	37.3
144.00125	1.6
145.01347	1.9
156.00514	3.3
161.04420	1.6
165.12740	1.2
171.10164	1.9
173.00903	8.4
174.01628	35.0
175.02409	34.2
177.12769	1.6
181.12225	1.9
183.13792	6.7
185.90471	1.5
193.12282	3.1
197.11789	11.2
207.13875	1.5
211.13350	100.0
212.13719	3.4
221.15317	1.5
223.13344	4.9
225.11166	1.5
227.12817	2.1
235.08180	4.5
236.10690	1.6
247.20692	2.7
251.12863	1.4
253.09244	12.6
263.12872	7.7
273.18585	1.5
291.19678	27.3
309.20706	57.2
309.24295	2.7
310.21146	5.3
447.22229	7.9
497.82843	1.4
503.33978	2.6
527.28680	1.7
545.29510	3.4
712.84412	1.6
739.42572	3.3
777.41412	1.9
795.41772	9.2
809.43079	1.8
835.40894	6.8
853.41913	3.7
895.44177	3.3
913.44739	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	910.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49607	0.5
72.51343	0.3
74.02368	1.5
78.95792	0.4
82.02870	0.4
86.02370	0.4
97.03987	0.3
99.05524	1.0
102.05506	0.3
102.61467	0.3
128.03444	4.0
143.04543	2.9
146.04509	0.4
160.00610	0.3
166.38020	0.3
171.10197	1.2
179.04527	0.7
179.68924	0.3
209.11876	0.8
210.08817	0.7
226.08167	0.7
227.13026	0.3
252.06395	0.4
254.07771	1.2
260.07162	0.4
265.84637	0.3
272.08929	4.0
275.55945	0.3
306.07706	0.7
309.20709	0.5
352.98972	0.3
440.90991	0.3
442.18280	0.4
443.18787	1.3
444.19403	0.7
445.20694	0.4
457.20264	1.3
458.21213	2.7
459.21756	1.8
460.48413	0.3
461.14316	0.4
462.15240	0.8
475.15808	0.8
476.16742	8.0
477.17398	4.8
478.17392	0.4
489.17502	0.6
490.18280	1.6
491.19070	3.0
492.19736	0.8
503.20776	1.1
505.20676	0.3
516.21680	0.5
517.22656	4.6
518.22937	0.6
521.16504	1.3
530.23346	0.3
531.18652	0.4
533.57349	0.3
535.18121	11.2
536.18518	2.8
546.20905	1.0
549.19897	1.6
550.20526	1.6
551.20831	0.4
561.22626	0.3
605.22028	13.0
606.22644	1.8
637.24927	100.0
638.25238	17.0
878.31311	0.4
910.34583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02285	1.5
65.00198	1.9
69.91454	1.8
69.91861	2.7
71.01244	0.9
83.01266	1.1
84.43895	0.7
84.57222	0.9
91.62836	0.8
93.03320	1.0
107.01272	3.1
108.02054	19.9
109.02846	11.5
117.03373	9.5
119.04920	3.2
121.02875	2.2
123.00780	0.8
135.00787	1.5
139.00218	1.2
145.02856	29.5
146.03250	0.9
147.04341	0.8
151.00278	11.9
151.03900	1.0
152.01064	34.4
153.01854	12.0
159.04279	1.1
163.00311	3.7
163.03932	2.7
165.01953	1.0
174.03220	0.9
178.99759	6.6
187.04010	1.2
199.03851	0.9
201.01886	1.0
202.02644	1.7
203.03421	1.1
211.03951	1.2
213.05507	1.2
214.02568	1.0
215.03421	1.2
227.03520	2.3
229.01353	1.0
229.04956	0.9
230.02002	1.1
241.01390	1.9
242.02200	2.0
243.03000	7.0
244.03731	1.0
245.01117	1.1
255.02982	15.9
256.03397	1.1
258.01743	2.9
259.02451	2.9
269.00946	5.7
271.02493	29.6
271.05426	1.7
272.02982	2.1
273.04074	1.2
286.01190	3.2
287.01929	8.5
297.00388	5.9
298.01117	1.4
299.02124	3.8
300.02765	55.0
301.03513	42.2
302.03821	3.6
314.00714	1.8
315.01584	13.4
315.07199	13.8
316.01996	2.7
317.02972	3.0
433.07584	3.6
433.35181	0.9
447.09332	100.0
448.09729	6.7
461.11499	76.4
462.07190	2.4
462.11108	4.9
639.20050	1.0
671.10059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.398
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	0.7
71.01260	13.2
72.98824	0.4
72.99175	3.1
73.02809	2.0
74.11379	0.5
75.00752	13.3
83.01277	2.5
83.62222	0.4
85.00312	0.4
85.02827	18.2
87.00765	4.7
89.02323	1.8
95.01280	2.6
96.95913	0.6
97.02841	0.6
98.20554	1.6
99.00768	5.1
101.02322	3.1
111.00765	3.2
112.01572	0.8
113.02333	15.2
114.02618	0.5
115.00245	1.7
117.01847	1.1
122.03680	0.4
129.01862	1.1
131.03380	0.6
150.03085	1.7
151.03868	0.7
161.04411	0.9
165.01807	0.5
165.05455	1.6
169.05789	0.5
175.02455	1.0
175.03845	0.9
180.04218	0.5
195.06602	0.6
201.62645	0.5
205.05051	0.6
229.08974	0.5
229.82394	0.7
268.88574	0.5
271.02463	1.6
274.63065	0.5
300.03171	0.5
335.06305	1.2
461.07278	2.2
489.16632	0.6
491.21359	100.0
492.21692	7.3
570.31030	0.6
757.98444	0.6
909.33252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11466	1.8
71.01257	14.4
71.04900	4.5
71.57466	3.9
71.57838	2.7
77.97873	1.8
78.95795	12.9
80.96378	4.4
84.57687	1.9
85.02843	4.5
87.00760	4.0
89.02319	7.6
97.02865	3.4
97.06502	3.6
99.00755	17.2
101.02332	9.5
113.02327	2.9
123.08050	3.7
125.02239	2.1
125.09619	7.9
128.38725	2.1
152.99500	2.8
163.11259	10.3
171.10158	4.0
173.70987	2.1
181.12260	16.9
182.12703	2.2
199.13303	7.4
207.10268	22.9
225.11273	24.8
243.12305	11.6
249.92252	2.0
255.23303	5.3
283.26437	32.4
284.26740	2.8
397.13525	5.3
907.53033	100.0
908.53723	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	909.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02285	1.5
65.00198	1.9
69.91454	1.8
69.91861	2.7
71.01244	0.9
83.01266	1.1
84.43895	0.7
84.57222	0.9
91.62836	0.8
93.03320	1.0
107.01272	3.1
108.02054	19.9
109.02846	11.5
117.03373	9.5
119.04920	3.2
121.02875	2.2
123.00780	0.8
135.00787	1.5
139.00218	1.2
145.02856	29.5
146.03250	0.9
147.04341	0.8
151.00278	11.9
151.03900	1.0
152.01064	34.4
153.01854	12.0
159.04279	1.1
163.00311	3.7
163.03932	2.7
165.01953	1.0
174.03220	0.9
178.99759	6.6
187.04010	1.2
199.03851	0.9
201.01886	1.0
202.02644	1.7
203.03421	1.1
211.03951	1.2
213.05507	1.2
214.02568	1.0
215.03421	1.2
227.03520	2.3
229.01353	1.0
229.04956	0.9
230.02002	1.1
241.01390	1.9
242.02200	2.0
243.03000	7.0
244.03731	1.0
245.01117	1.1
255.02982	15.9
256.03397	1.1
258.01743	2.9
259.02451	2.9
269.00946	5.7
271.02493	29.6
271.05426	1.7
272.02982	2.1
273.04074	1.2
286.01190	3.2
287.01929	8.5
297.00388	5.9
298.01117	1.4
299.02124	3.8
300.02765	55.0
301.03513	42.2
302.03821	3.6
314.00714	1.8
315.01584	13.4
315.07199	13.8
316.01996	2.7
317.02972	3.0
433.07584	3.6
433.35181	0.9
447.09332	100.0
448.09729	6.7
461.11499	76.4
462.07190	2.4
462.11108	4.9
639.20050	1.0
671.10059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	17.8
77.95664	3.6
78.95778	3.6
87.00735	4.1
89.02339	9.7
95.63818	3.4
99.00757	12.9
101.02341	13.0
113.02264	4.1
123.08009	3.6
125.09619	4.0
131.00439	3.5
163.11162	6.8
171.10191	6.2
181.12254	13.1
199.13397	7.5
207.10243	23.4
211.13257	4.3
225.11296	40.9
227.20140	3.6
229.72710	3.4
243.12347	8.5
283.26480	47.7
288.17725	4.0
298.93649	3.8
397.13406	12.8
855.61639	4.2
889.51752	14.0
907.52893	100.0
908.52740	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	907.383
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01748	1.7
69.03329	4.5
69.09855	1.4
71.01260	48.4
71.04868	1.8
71.57953	2.5
72.99172	11.4
73.02801	10.4
75.00745	21.0
79.75829	1.7
81.03336	4.4
83.01270	4.0
83.04903	3.3
85.02827	34.5
87.00755	12.8
88.98676	2.2
89.02324	13.8
93.03371	2.7
95.01291	7.8
96.74539	1.5
96.95886	4.1
99.00761	12.9
99.04395	2.1
101.02342	11.2
101.88779	1.7
103.00244	3.1
103.03915	2.4
109.02843	3.2
111.00800	2.0
111.04430	2.7
112.12580	1.5
113.02347	27.8
115.00243	3.1
115.03912	2.1
116.92752	2.4
117.01837	2.9
119.08537	7.5
121.10110	4.4
125.02313	3.0
127.03943	2.6
131.03394	4.6
134.03641	4.0
134.04718	1.4
137.02322	2.1
143.03351	2.5
145.02878	2.7
145.05051	2.1
149.02362	3.5
149.04465	2.4
150.03102	1.6
151.03889	2.5
152.01022	2.5
153.01881	1.6
160.01611	4.0
161.02385	3.2
163.03929	3.3
163.07553	2.7
164.04657	2.3
165.05411	2.4
165.09154	4.9
175.00290	2.6
175.02429	3.9
175.03925	6.7
181.04977	3.3
181.08632	2.3
183.10170	1.8
190.02628	4.0
193.04999	3.5
205.04991	4.3
205.07004	1.9
209.11861	3.7
211.13303	2.2
243.12302	1.9
249.06140	22.5
267.07224	10.9
271.02280	1.7
300.02737	2.3
329.16077	3.2
367.10333	2.0
415.15991	5.1
428.34851	1.7
499.16794	3.8
607.97852	2.1
639.30847	1.9
655.68140	1.7
715.28015	5.0
877.36847	3.9
889.37378	16.8
890.36603	2.1
907.38251	100.0
908.38403	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	907.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99677	2.9
69.03314	4.0
70.02836	1.2
70.26486	1.3
70.82082	3.5
71.01256	44.1
72.99185	12.2
73.02832	7.4
75.00358	1.8
75.00752	24.9
80.28134	1.2
81.03336	2.7
83.01263	3.9
83.04863	1.3
85.02822	34.5
87.00762	9.7
88.98680	1.7
89.02338	10.4
93.03326	2.2
95.01273	6.5
96.15379	1.2
96.95876	1.9
99.00148	2.0
99.00755	14.6
99.04404	1.4
101.02330	7.0
101.48846	1.1
103.00242	3.5
103.03885	1.8
109.02840	2.7
111.00808	1.3
111.04376	2.4
113.02337	25.2
115.00259	2.4
117.01793	3.0
119.08540	6.7
121.10104	2.8
123.04402	1.6
125.02299	1.8
127.03889	1.6
129.01848	2.6
142.61226	1.2
145.02838	2.8
145.92952	1.3
149.02376	1.3
151.03893	1.6
153.09096	1.7
159.04335	1.5
161.02228	1.2
162.00806	1.4
163.03952	1.3
163.07561	1.7
165.05479	1.3
165.09094	5.5
167.10670	2.7
175.02362	3.5
175.03815	1.9
181.05128	1.6
181.08598	2.1
183.13829	2.5
189.03992	1.8
190.02699	1.6
194.47028	1.1
201.11143	2.5
209.11803	2.6
211.13330	2.3
213.14876	2.9
231.05078	2.6
241.14404	2.2
249.06172	21.3
250.06439	2.0
267.07214	13.0
272.93207	1.3
277.60452	1.1
289.07111	1.4
307.07999	1.5
329.16095	3.7
367.10092	1.3
415.15918	3.4
433.17099	1.9
577.21887	1.8
699.36066	1.7
727.31903	2.0
877.36810	5.3
889.36975	18.1
890.37311	2.7
907.38184	100.0
908.38550	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	907.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99695	3.3
69.03344	3.3
71.01254	66.2
71.57241	3.0
72.99187	20.2
73.02824	13.6
75.00747	38.0
81.03339	6.0
83.01289	6.9
85.02826	57.5
87.00747	17.3
89.02316	16.2
90.25962	2.0
95.01263	9.9
96.95883	4.0
99.00764	25.2
99.92473	3.6
101.02300	11.8
103.00313	3.3
107.34287	2.2
107.36903	2.3
109.02851	5.8
111.00819	3.1
113.02332	38.4
113.03049	2.4
114.80172	1.8
115.00268	3.7
116.92741	21.8
116.93417	2.3
117.01833	4.7
119.03455	2.2
119.04877	2.3
119.08574	11.9
121.10169	4.0
131.03401	2.8
134.03676	4.3
144.39424	2.0
149.02402	3.8
150.03127	2.8
151.00304	6.6
151.03947	4.0
157.01335	2.5
160.01607	2.8
161.04466	3.3
163.04012	3.4
164.04691	2.9
165.01863	11.2
165.05498	3.9
165.09126	6.4
167.10680	16.7
173.04323	2.2
175.02448	6.9
175.03961	5.5
178.99728	5.3
180.04292	7.9
181.05040	4.7
181.08669	8.5
183.10280	2.2
184.82292	2.1
190.02753	4.9
191.05579	3.2
194.77666	1.9
195.06529	13.3
205.05038	3.9
207.06567	2.6
210.05566	2.1
223.06093	3.9
227.03491	3.8
231.05154	2.7
238.07703	2.2
243.03001	4.4
249.06180	25.4
255.03122	8.8
267.07294	8.9
271.02490	45.3
272.02985	4.3
283.02646	2.5
284.03326	3.1
285.04089	5.3
286.04593	7.2
287.04758	3.2
299.01956	38.5
300.02728	31.8
301.03482	13.3
315.05069	10.7
315.14511	4.0
322.38470	2.6
329.16309	5.6
345.15518	3.2
371.20380	2.1
413.62350	2.1
417.17953	12.1
432.10751	2.8
447.09726	6.8
489.16415	3.3
491.21780	5.0
561.22504	3.0
579.14984	2.8
579.22955	10.3
591.13733	18.8
592.14252	2.7
609.14886	6.6
638.52234	2.5
877.38214	10.9
884.38873	3.0
889.37555	67.8
889.53516	3.5
890.37958	15.0
907.38983	100.0
908.39539	22.3
944.00159	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	907.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51917	1.1
65.69920	1.1
69.31496	8.6
69.31908	3.6
71.01258	22.2
72.99180	3.3
73.02833	7.1
75.00745	3.3
83.01273	4.9
85.02821	10.4
87.00755	2.1
88.98705	1.6
89.02332	6.7
90.47320	1.3
93.03340	3.7
95.01266	3.3
96.95901	3.6
97.69467	1.1
99.00765	18.9
101.02320	10.1
109.02863	3.0
113.02328	8.5
121.02843	7.2
122.03623	13.7
123.00773	2.5
123.04438	3.4
124.01511	1.5
125.02316	2.0
131.03374	2.0
133.02831	3.0
134.03622	3.4
136.01569	4.9
137.02313	7.6
139.03925	2.6
143.03439	1.9
145.02792	1.3
146.03694	1.3
147.04442	2.7
149.02353	11.9
149.05992	1.3
150.03137	96.5
151.00294	14.1
151.03954	8.0
152.01062	2.7
160.01567	1.5
160.05150	1.7
161.02374	2.0
161.04446	4.2
162.03113	4.6
163.03906	3.1
164.04701	4.0
165.01851	13.3
165.05496	100.0
166.02643	29.7
166.05821	4.1
167.03287	2.3
175.03964	2.5
175.07574	2.3
177.01889	3.3
177.05482	3.6
178.99820	1.9
179.03441	2.4
180.04178	12.5
181.05005	21.9
181.08614	2.7
191.03444	3.1
191.05521	3.5
192.04222	2.4
193.04944	2.4
195.02994	1.4
195.06573	36.6
205.04997	4.2
207.06532	1.5
209.24809	1.3
210.05145	1.4
219.06596	1.4
221.08125	1.6
225.07654	4.4
227.03368	2.5
243.02991	1.6
255.02913	6.9
267.07166	1.2
271.02423	11.4
272.02771	1.4
283.02750	2.1
284.03177	2.5
285.04150	2.3
293.08771	2.6
299.01880	1.7
300.02740	19.3
301.03519	9.6
315.14545	3.9
329.13788	3.3
372.12289	1.6
387.10706	3.9
387.14816	3.5
399.14499	2.7
402.13461	2.6
403.14072	2.7
417.15698	12.7
433.07733	1.8
447.09296	2.6
453.69992	1.4
459.15070	2.4
464.11563	1.2
466.57828	1.4
489.16122	51.8
490.16217	3.7
491.21265	7.6
492.22412	1.7
519.17108	9.7
520.17230	1.8
569.13031	1.4
613.22241	5.9
727.29755	4.9
877.32263	2.3
880.84088	1.6
907.32294	28.7
908.32239	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	907.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00186	1.2
69.03323	0.5
71.00903	0.8
71.01260	7.7
73.02834	2.5
83.01248	1.3
84.64905	0.5
85.02819	3.7
87.00771	1.2
87.66757	0.5
89.02318	4.3
95.01237	1.1
99.00768	1.0
101.02322	5.9
107.01261	1.9
108.02016	1.3
109.02831	1.2
113.02327	4.8
119.03391	2.2
120.26083	0.5
121.02843	1.4
125.02309	0.9
136.48442	0.5
137.09561	0.7
148.01538	0.6
150.03133	0.6
151.00293	8.3
151.01476	0.6
151.11250	0.6
155.65338	0.5
161.02353	0.6
161.04480	1.5
163.00294	2.0
165.05484	1.0
169.01328	0.9
170.63147	0.5
178.99803	4.9
195.06519	0.9
201.05510	0.5
207.13908	0.9
211.03983	0.8
225.14909	5.2
226.02745	1.1
227.03427	2.2
243.02980	6.1
245.04575	1.8
254.02119	1.9
255.02971	19.2
256.03467	1.5
261.77991	0.5
271.02478	40.7
272.02921	4.3
273.03760	1.0
283.02393	1.7
284.03244	1.3
299.01981	4.8
300.02737	84.8
301.03479	44.0
302.03760	3.5
339.03885	1.2
340.04416	1.1
369.19211	19.9
370.19693	0.7
387.15204	1.1
387.20227	20.7
388.20447	1.0
429.21262	35.7
430.21582	2.9
432.06644	1.0
433.07736	100.0
434.08112	8.4
435.08594	1.3
472.08762	3.0
473.09103	3.2
563.13654	1.1
634.22778	0.6
885.87848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.288
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02271	0.9
64.99893	0.6
65.00204	1.9
65.20351	0.5
69.31226	1.6
69.31647	4.2
71.01254	1.4
78.95764	0.6
83.01265	1.0
89.02299	0.6
92.25552	0.6
93.03326	0.9
97.79723	0.6
107.01275	4.9
109.02860	1.5
121.02851	2.1
125.02345	1.4
133.02831	0.8
135.00807	0.7
137.02370	0.7
147.00752	0.7
149.02367	1.3
150.03149	2.1
151.00273	14.5
152.00920	0.5
161.02267	0.8
163.00250	1.8
165.01787	0.7
165.05486	2.8
167.04951	0.6
169.01328	1.4
171.04480	1.7
175.03909	1.4
178.99800	4.6
187.03810	0.7
195.06534	1.0
199.03922	4.0
200.04703	0.5
203.03369	0.8
211.03891	0.6
215.03430	1.8
226.02672	1.8
227.03479	4.0
243.02933	6.0
254.02161	1.7
255.02808	2.8
267.05103	0.5
271.02478	61.4
272.02859	3.3
299.01974	57.7
300.02728	40.1
301.03525	100.0
302.03922	4.6
313.03470	1.2
325.55899	0.6
343.04459	1.1
433.07623	1.0
447.09332	36.2
448.09460	2.0
489.16354	1.9
557.13086	1.0
749.95734	0.6
760.22144	2.6
761.23108	12.3
762.23340	1.5
907.28766	44.4
908.29065	6.2
944.59583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	0.7
71.01227	0.4
71.57982	0.5
74.96996	0.4
83.01248	0.7
96.95902	3.9
99.00746	0.4
101.02267	0.5
107.01302	2.7
108.02052	0.8
108.06666	0.3
109.02808	1.5
121.02878	1.9
135.00812	0.7
137.02364	0.4
148.01576	1.1
149.02313	0.8
150.99144	0.7
151.00279	10.4
163.00316	3.0
164.01044	0.4
169.01237	0.6
178.99817	4.2
183.04417	0.6
187.03877	0.3
190.99814	0.7
193.61139	0.3
199.03934	0.4
211.03992	1.0
217.73415	0.3
226.02646	0.6
227.03506	1.8
229.05014	0.4
243.02943	5.6
244.03394	0.5
245.04556	1.3
254.02213	1.0
255.02972	15.3
256.03378	0.9
271.02472	30.4
272.02945	1.7
273.04013	0.8
283.02484	1.6
299.01959	0.9
300.02750	59.6
301.03510	43.6
302.03937	2.6
447.09317	100.0
448.09695	6.7
448.15622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.4
70.34178	1.5
70.34535	0.7
71.01257	16.0
72.99171	1.3
73.02827	2.6
80.02557	1.2
81.03336	1.7
83.01257	1.5
83.04900	6.1
84.02057	1.2
85.02821	3.6
87.00769	3.6
89.02320	13.8
95.01292	1.5
95.04900	1.0
97.02843	3.0
97.06487	0.5
99.00767	1.1
99.04433	0.5
101.02328	11.5
109.02831	0.5
109.06506	0.6
111.00826	0.4
111.08033	0.7
113.02340	6.4
119.03391	3.3
121.10078	0.6
125.02338	6.2
131.03406	0.6
132.56131	0.5
135.08061	1.0
143.03398	1.9
161.04469	3.2
163.11224	4.6
165.12753	2.4
167.03441	0.5
169.77463	0.5
171.10187	1.9
179.05547	3.9
179.14410	0.7
181.12215	1.2
183.13812	1.3
191.10704	1.5
195.13841	5.8
197.11781	1.9
199.06053	0.5
200.41623	0.4
205.12352	0.5
209.11777	94.6
210.12135	4.3
211.13342	12.4
212.13716	0.5
217.07040	0.5
221.06638	1.2
223.13396	5.1
224.13557	0.5
225.14801	0.7
227.12852	12.9
228.13428	0.7
235.08215	5.1
253.09288	1.7
256.13065	0.7
275.20160	4.4
287.07657	1.7
291.19699	3.8
293.21231	100.0
294.21591	7.4
305.08722	2.1
307.69772	0.5
309.20731	11.8
310.21271	0.9
323.09756	1.0
323.18301	0.5
341.23245	0.8
379.12524	2.7
397.13513	41.9
398.13989	2.1
415.14572	15.0
416.14862	1.3
503.33978	0.5
570.14703	0.5
591.25592	0.6
607.26050	1.2
609.27826	0.7
691.35144	0.9
692.36322	0.6
757.09009	0.5
901.47394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32986	1.0
63.51950	0.9
69.03333	1.5
71.01254	21.0
72.71229	1.1
72.99158	1.4
73.02823	4.2
78.95767	1.0
80.96380	1.8
81.03323	2.9
82.25806	1.0
83.01289	1.7
83.04896	4.3
84.02057	1.2
85.02814	4.8
87.00755	5.3
88.68076	1.0
89.02322	14.5
95.01234	0.9
95.04871	1.6
97.02835	2.7
99.00755	1.4
101.02325	15.2
113.02338	9.1
119.03387	3.2
125.02327	6.1
125.05983	1.2
125.09604	2.4
127.11169	4.3
139.03891	1.0
139.56120	0.9
143.03429	3.0
155.10651	2.2
161.04466	3.6
163.11182	3.4
165.09077	1.4
165.12752	1.9
171.10182	2.8
179.05528	6.0
191.10664	1.0
201.11269	86.8
202.11559	2.4
209.11781	100.0
210.12180	5.0
221.06665	2.9
225.11345	1.2
227.12842	12.3
229.55481	1.1
235.08191	8.3
277.21725	60.5
278.22034	3.3
287.07684	3.4
305.08813	4.7
312.69305	1.1
323.09796	1.3
379.12436	8.3
397.13525	52.4
398.13785	2.1
415.14566	14.0
581.24493	2.1
599.25922	3.0
602.01764	1.3
602.22925	1.2
607.25592	1.1
657.33240	1.1
675.35883	2.5
869.51483	1.2
903.47479	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	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03301	2.0
71.01256	33.6
72.99174	4.1
73.02811	5.3
79.95585	2.1
80.96370	1.9
81.03312	1.7
83.01272	5.1
85.02816	8.3
87.00757	7.3
89.02324	22.8
95.01285	3.1
97.02831	4.3
98.19753	3.6
99.00767	2.2
101.02324	19.7
111.08065	3.4
113.02346	8.9
115.90710	1.4
119.03391	6.1
119.33191	1.8
124.81281	1.4
125.02332	8.0
135.14558	1.4
143.03427	3.7
143.04486	2.0
150.69243	1.6
161.04477	3.9
165.12762	7.2
171.10196	1.6
176.27153	1.5
178.14006	1.6
179.05573	4.5
181.12163	2.4
183.13843	70.5
184.14221	2.2
195.13773	7.6
209.11748	11.0
211.13364	33.6
221.06563	3.0
223.13341	4.0
227.12886	10.9
235.08199	5.7
275.20255	2.5
291.19659	9.9
293.21262	31.9
294.21548	3.1
309.20712	36.7
310.21033	3.5
392.69882	1.8
397.13562	19.7
398.13455	1.8
415.14462	9.0
530.61328	1.8
625.27325	3.1
707.34979	3.7
901.48083	100.0
902.48267	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	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69907	0.9
69.03305	1.4
70.50794	1.0
71.01254	21.2
71.04884	4.3
71.58008	1.8
72.99168	1.8
73.02811	1.7
75.97089	0.9
78.98470	1.1
79.95612	1.9
80.96393	10.9
83.01266	1.9
83.04924	1.2
84.03487	1.0
85.02834	4.1
87.00740	4.5
89.02322	8.2
94.97959	1.4
95.01244	1.2
95.04895	1.1
97.02834	4.2
97.06469	2.9
99.00754	16.9
101.02338	9.8
113.02351	4.9
115.03905	1.2
116.92741	1.7
119.03377	2.0
123.08059	1.7
125.02345	2.4
125.09601	8.6
161.04491	1.6
163.11212	11.4
164.98550	1.7
167.67567	0.9
171.10176	7.0
177.03268	1.1
179.05569	1.5
181.12265	11.6
197.11719	2.4
199.13400	6.1
207.08366	1.6
207.10222	25.5
209.11711	1.9
211.13370	2.7
221.06616	1.5
225.00745	3.1
225.11284	32.7
226.11674	2.2
227.30490	1.0
243.12344	13.6
277.21735	26.8
278.21951	2.0
293.21008	2.0
397.13559	8.7
398.13486	1.0
431.87872	1.0
591.25372	1.3
623.25500	2.3
641.25830	1.7
901.47870	100.0
902.48199	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	901.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	1.1
71.01254	20.6
71.04883	1.8
72.99180	1.3
73.02814	2.2
79.95574	1.9
80.96393	7.6
81.03352	0.9
83.01258	1.0
83.04871	0.8
85.02816	3.5
87.00760	3.6
87.26595	0.7
89.02313	7.7
94.97935	1.8
95.04916	1.2
96.95871	0.9
97.02837	5.8
97.06472	2.4
99.00769	13.5
101.02332	9.8
109.06477	1.9
110.03599	0.9
113.02346	4.5
116.92735	1.3
119.03374	1.2
123.08045	1.6
125.02312	3.0
125.09648	5.9
136.05180	0.8
142.02585	0.8
143.03468	1.9
143.04489	0.9
161.04456	1.2
163.11212	7.8
164.98518	1.7
171.10226	5.7
177.03377	1.2
179.05539	1.9
179.10695	0.9
181.12268	13.2
182.12682	0.9
190.58484	0.8
197.11781	1.6
199.13350	11.4
201.11267	2.3
207.10210	31.3
209.11813	2.3
211.13353	3.9
215.12668	0.8
221.06609	3.0
223.13324	1.4
225.00725	2.7
225.11304	38.7
226.11646	1.4
227.12711	1.0
236.23045	0.9
243.12354	20.5
243.14717	1.7
244.12804	1.2
273.93967	0.8
277.21759	13.2
278.22055	1.1
291.19659	1.2
293.21176	3.0
294.21365	1.1
309.20828	2.0
379.11975	1.1
397.13553	8.9
398.13757	1.3
415.14548	2.9
418.98822	0.8
490.24997	1.2
623.25574	2.4
641.26672	4.6
883.46991	1.5
884.48395	0.9
901.47906	100.0
902.48169	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	901.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96048	1.1
69.03349	1.8
69.56554	1.1
71.01263	26.4
71.04908	1.7
71.57692	2.0
72.99200	1.9
73.02827	3.8
75.00754	1.5
77.24619	1.2
78.17623	1.2
78.95778	3.5
78.98477	2.9
79.95609	7.3
80.96393	23.3
81.03333	1.4
83.01257	3.1
83.04913	2.1
83.18967	1.1
85.02843	6.1
87.00761	5.1
89.02325	12.4
94.97986	6.5
95.01276	1.7
96.95886	3.0
97.02856	6.4
99.00773	6.9
101.02331	14.1
109.06462	1.5
111.58160	1.2
111.97300	1.1
113.02348	6.4
119.03395	3.3
121.02821	1.2
125.02343	4.4
125.09628	3.9
143.03432	2.0
148.99042	2.2
152.98503	1.6
161.04474	2.3
163.11240	6.2
164.98528	4.5
171.10188	14.0
179.05530	2.8
179.62550	1.2
181.12219	8.3
197.11795	3.9
199.13362	9.0
201.11311	6.8
207.10205	23.6
209.11800	3.0
211.13383	4.9
223.13347	1.8
225.00705	6.0
225.11301	37.2
226.11603	2.1
227.12675	1.8
235.08144	3.8
241.14288	1.5
243.12355	8.1
277.21741	41.8
278.22073	4.1
293.21228	4.5
295.22534	2.0
309.20740	2.8
379.12283	3.7
397.13516	18.6
398.13586	1.9
415.14420	4.7
569.56787	1.3
605.24487	3.4
623.25629	3.2
883.47021	12.4
901.47546	100.0
902.47711	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	901.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45932	0.7
67.01771	1.2
71.01244	2.2
74.83013	0.7
83.04888	0.8
85.02824	1.5
87.00757	1.8
93.03337	21.9
109.02847	1.2
111.04464	3.7
117.03365	2.6
119.04925	11.7
127.03879	1.2
137.02330	9.4
145.02873	12.2
155.03412	4.2
163.03935	9.5
173.04475	62.2
174.04810	1.7
191.05545	16.5
195.06589	0.7
207.24670	0.8
233.06636	100.0
234.07001	4.4
309.60022	0.7
319.08206	14.1
320.08578	1.0
337.09338	2.8
379.10336	16.0
399.36505	0.8
460.29211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01743	0.7
71.01252	1.7
72.99201	0.4
80.78355	0.3
83.04890	0.5
85.02824	1.0
87.00739	1.4
93.03333	14.5
94.03653	0.4
96.95919	0.4
99.00777	0.4
104.82021	0.4
109.02811	0.5
111.00781	0.4
111.04382	3.0
115.51406	0.3
117.03357	1.6
119.04922	7.7
127.03895	0.8
137.02345	7.4
145.02847	9.0
146.03159	0.4
155.03426	4.0
163.03908	7.0
173.04474	40.5
174.04787	1.1
191.05536	11.9
192.05969	0.6
230.20102	0.5
233.06631	100.0
234.07004	3.6
319.08215	13.4
320.08487	1.0
328.25012	0.4
337.09305	3.6
340.64212	0.4
362.00107	0.4
363.13150	0.8
376.53073	0.4
379.10352	18.0
380.10825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02268	1.1
65.00201	1.2
69.46358	3.6
69.46758	1.3
70.93563	0.6
75.37380	0.6
76.31579	0.6
76.86777	0.6
80.40264	0.6
83.01251	0.9
85.02810	0.9
93.03342	2.1
96.95901	0.8
106.67517	0.6
107.01265	1.9
110.69402	0.6
113.02258	1.0
114.93320	0.7
117.03323	1.1
119.01270	0.7
119.04874	0.7
123.04420	0.7
137.02385	0.9
147.01051	0.6
149.02281	0.7
151.00259	4.1
153.01817	0.7
159.04414	0.8
163.00247	1.0
164.04698	0.7
165.01828	0.7
169.01433	0.6
169.06546	0.7
175.00288	2.2
175.03972	0.7
183.04398	1.1
185.05952	0.9
187.03983	1.3
190.02650	6.0
191.03345	1.3
193.05002	0.9
205.04936	3.4
209.11768	0.8
211.03952	1.9
215.03432	0.8
227.03444	15.0
228.03784	1.1
229.05008	0.9
239.03455	0.7
241.04971	0.7
255.02983	34.4
256.03503	3.1
257.04541	1.2
283.02472	19.9
284.03238	26.5
285.04050	100.0
286.04401	4.7
297.04309	0.9
298.04892	1.0
299.02124	1.1
299.05551	8.8
300.02530	0.9
301.03528	1.1
327.05203	1.6
353.08737	4.3
367.10345	0.7
489.10379	24.7
490.10782	1.1
503.12195	0.9
531.11505	1.9
563.14136	0.9
652.14392	1.2
653.15082	31.5
654.15363	2.5
669.75031	0.6
857.21484	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	901.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02260	1.5
65.00207	1.1
69.79473	4.5
69.79891	2.2
72.69176	0.9
72.99178	0.8
75.00770	1.2
83.01244	1.3
83.87820	0.9
84.04404	1.0
85.02835	1.1
91.77852	0.9
93.03340	1.1
96.95914	1.3
99.38151	0.9
106.56958	0.9
107.01268	2.7
109.02859	0.9
111.75958	0.8
117.03355	2.8
119.04929	1.1
123.04383	1.0
132.02048	1.1
134.03639	2.3
145.02878	1.1
151.00281	7.3
159.04431	1.8
160.01524	3.0
161.02353	1.9
163.04024	0.9
165.05516	1.0
175.03961	3.3
178.99773	2.1
183.04488	4.4
187.03877	1.0
211.03923	4.6
214.78937	1.0
227.03456	30.6
228.03908	1.2
229.04942	1.7
239.03442	1.0
241.04999	1.0
255.02975	95.1
256.03491	8.5
257.04446	1.6
271.02390	2.9
283.02496	84.1
284.03253	100.0
285.03995	46.8
286.04391	2.4
298.04822	2.6
299.02048	4.5
299.05493	2.1
300.02545	1.4
323.07751	1.2
325.80051	1.0
399.07330	1.6
563.14105	93.0
564.14276	9.3
577.15570	1.6
593.13348	7.5
594.13837	1.4
605.14490	1.6
622.13306	8.5
623.13599	2.3
901.24048	29.0
901.39844	1.4
902.23914	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	899.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	4.0
69.32424	22.5
71.00893	3.1
71.01255	37.9
72.73762	1.8
72.99189	4.0
73.02815	4.7
75.00748	8.3
78.95816	2.5
80.47543	1.8
80.96394	7.5
83.01280	2.7
85.02832	8.9
87.00761	28.4
89.02327	19.2
95.01289	2.5
97.02834	5.1
98.33955	2.1
99.00770	2.6
101.02318	17.9
105.55144	1.9
111.04400	2.3
111.08076	2.1
113.02334	12.8
115.00269	15.8
116.92744	3.2
119.03321	4.4
123.04425	1.9
125.02335	3.3
125.09592	3.2
129.01854	3.9
135.02844	2.6
136.22928	2.1
143.03392	3.4
151.11247	2.1
161.04472	7.6
167.92799	2.6
169.12172	3.8
171.10178	8.3
174.01620	2.9
175.02408	26.0
179.05559	5.3
179.10677	5.3
183.13789	7.7
195.13841	3.2
197.11786	43.8
207.10178	3.1
209.11826	3.3
211.13338	87.4
212.13742	3.6
213.14896	18.0
223.13351	7.6
225.11203	2.8
233.11867	5.4
235.13351	6.9
239.12788	3.1
241.14441	39.4
242.14684	2.4
245.11778	2.3
251.12946	7.3
253.09224	12.2
253.14435	4.9
263.13000	5.3
277.21722	100.0
278.22079	8.4
279.23303	19.0
291.19550	5.2
291.22675	1.9
292.20184	3.0
293.24887	3.6
295.22827	9.8
299.01889	3.2
300.02719	2.3
309.20883	10.0
310.21033	4.0
323.09729	6.7
341.10880	8.9
397.13339	6.5
447.22363	9.9
459.22043	4.6
477.23361	9.3
483.34964	2.6
513.23047	2.8
603.33698	4.5
737.44745	14.5
738.45050	2.5
747.44629	4.4
759.43500	3.3
765.44525	4.3
781.43903	6.8
899.46460	72.5
900.46997	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	899.32
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	0.6
71.01263	14.8
71.57858	0.8
71.58223	0.8
72.99186	2.6
73.02819	2.3
73.39850	0.6
75.00754	16.4
81.03297	0.6
83.01267	2.5
85.02830	19.4
87.00761	4.5
89.02314	2.3
93.03339	1.0
95.01285	2.5
96.95872	1.2
97.02853	1.2
99.00770	5.3
101.02343	4.8
109.02842	2.4
113.02338	16.9
115.00253	1.9
115.81732	0.6
117.01800	1.1
119.04922	4.5
121.76781	0.5
123.04426	1.7
125.02364	1.4
134.03644	2.5
137.02357	2.2
145.02887	0.8
149.02319	0.9
149.05989	1.1
150.03133	0.8
151.03909	1.0
157.01343	0.8
159.02927	0.6
160.01564	1.4
161.05975	0.8
163.03932	3.4
164.01117	0.9
175.02440	1.3
175.03894	1.4
178.02701	1.4
179.03415	0.6
193.05013	2.5
205.05043	2.0
209.11827	0.6
227.03455	0.8
232.63922	0.5
245.08324	1.1
255.02956	1.0
284.03085	1.1
285.04126	1.0
289.07330	5.0
291.18201	1.0
298.57492	0.6
323.07990	0.8
337.09186	0.7
407.19263	0.7
463.25296	0.7
467.21362	100.0
468.21722	9.8
531.15253	2.2
562.54425	0.6
573.54254	0.7
713.91980	0.8
752.73096	0.6
800.01740	0.7
899.35651	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	899.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02265	2.6
65.00188	6.8
68.63042	0.8
68.99715	1.0
71.01266	3.3
71.57484	1.2
71.57893	1.4
72.13141	0.9
75.15466	0.8
83.01267	3.7
85.02831	3.5
87.00767	1.0
91.42397	1.0
95.01289	2.2
96.99207	1.8
99.00764	1.3
101.02368	1.2
106.00507	1.1
107.01284	8.0
109.02843	8.9
109.99976	4.0
111.00777	4.9
113.02297	2.4
119.04932	1.0
121.02834	3.0
123.00733	4.6
124.01539	1.6
124.98714	1.8
125.02322	3.1
133.02838	1.9
133.51390	0.9
135.04353	1.1
136.98724	1.0
137.02376	1.4
137.99525	1.6
139.00276	10.4
140.00989	1.0
141.01881	1.4
143.04900	1.3
145.02849	1.7
146.03612	1.5
148.01579	1.6
149.02364	2.0
149.99454	2.6
151.00282	29.8
152.01173	4.6
153.01804	7.4
154.99779	2.9
155.18274	0.9
157.02885	0.9
159.04443	2.4
161.02347	2.9
161.06023	1.0
163.00262	4.2
163.03928	1.4
164.01088	2.3
164.98222	1.5
165.01730	1.3
165.99001	5.4
166.99745	3.9
168.00519	3.8
169.01312	4.5
171.04443	2.5
173.04399	1.1
174.03064	1.4
175.00259	0.9
175.03868	2.7
177.01845	2.9
177.99031	2.3
178.99789	47.5
180.00407	2.9
181.01381	1.8
181.98479	0.9
186.03122	1.1
187.03899	6.9
189.01843	2.7
191.03419	1.1
193.01370	2.0
194.99289	5.4
197.00827	4.1
197.02477	1.3
198.03151	1.2
199.03981	2.1
201.01875	2.0
203.03455	5.7
204.97766	1.3
205.01387	1.3
213.01894	2.2
215.03510	4.9
217.01379	2.5
217.04971	1.3
219.02901	2.3
222.98857	1.7
227.03490	4.3
229.01439	1.5
230.02199	1.6
231.03014	7.1
232.03619	2.8
233.04500	10.2
241.01419	2.1
242.02223	4.1
243.02985	9.6
244.03571	1.1
245.00929	1.4
245.04555	3.6
247.02376	1.3
255.02998	9.6
258.01718	2.2
259.02451	5.1
260.03204	1.8
270.01703	1.9
271.02493	32.8
272.02872	1.9
275.01971	1.2
286.01151	3.9
287.01990	39.2
288.02652	8.6
289.03455	5.3
299.02014	4.2
300.02740	34.4
301.03516	32.5
302.03677	1.1
303.01453	7.2
304.02228	2.3
305.02896	1.1
315.01474	69.5
316.02234	26.2
317.02997	19.6
317.28983	1.0
318.03455	1.1
325.05576	1.4
329.05255	1.1
331.00705	2.2
332.01740	21.9
333.02518	12.8
414.63040	1.0
421.07697	2.2
433.07761	38.5
434.08124	3.9
437.07233	1.0
447.05710	3.5
449.07236	38.3
450.07571	2.3
463.05603	1.0
465.06750	100.0
465.19812	10.1
465.26962	3.5
466.07089	7.5
786.03900	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.152
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	2.5
69.26714	1.2
69.26949	5.3
69.27362	9.4
71.01259	4.1
75.00768	1.6
85.02805	2.3
89.02309	1.8
107.01269	4.1
109.02853	3.7
110.00008	3.1
111.00754	1.7
113.02357	2.5
119.04926	3.5
123.00738	4.3
124.01546	1.4
124.98690	1.6
125.02329	4.0
129.54593	1.5
130.38933	1.3
139.00296	9.6
145.02864	2.1
149.02368	3.7
149.99486	2.0
150.03116	2.2
151.00272	19.3
152.01054	2.1
153.01926	2.3
154.99747	2.9
161.02367	1.7
161.04373	2.0
163.00334	3.1
164.98210	2.1
165.01851	3.4
165.05469	2.4
165.99031	3.5
166.99831	2.6
169.01387	2.2
171.04463	1.8
175.03963	3.1
177.01842	1.9
178.99770	21.9
180.00558	1.9
187.03944	4.9
193.01398	2.7
194.99249	4.7
195.06601	3.6
197.00780	1.6
203.03407	5.9
205.01379	1.9
206.99333	2.1
214.02679	1.6
215.03400	4.0
217.01315	1.9
217.05026	2.0
219.02855	1.8
222.98918	1.4
227.03450	3.0
231.02962	6.0
232.03729	2.6
233.04657	3.4
241.01276	2.0
242.02301	1.9
243.02904	10.5
243.08669	1.4
244.03560	1.8
245.04622	2.4
255.02992	6.0
258.01572	2.8
259.02414	5.6
271.02524	27.4
272.02902	2.4
286.01263	5.1
287.02023	33.7
288.02643	5.4
289.03555	2.7
297.00470	2.0
299.01898	6.4
300.02756	24.1
301.03436	14.7
302.03564	2.5
303.01541	5.5
304.01819	1.7
315.01505	67.9
316.02209	24.7
317.03110	12.1
318.03030	1.9
320.37335	1.5
323.04095	1.9
332.01718	20.2
333.02478	6.4
387.15607	1.4
405.93878	1.5
421.07489	1.8
433.07758	27.7
434.07892	3.4
447.05862	3.2
448.06268	1.6
449.07272	42.3
450.07526	2.4
464.05695	2.7
465.06717	100.0
466.07080	6.9
498.71500	1.4
563.47760	1.6
680.33209	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	897.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.3
71.01250	8.4
75.00758	3.2
77.95026	1.7
78.95796	2.8
80.96410	1.9
83.01277	2.9
87.00754	2.7
89.02330	3.5
94.73825	1.5
97.02869	9.0
99.00736	2.9
101.02350	6.4
103.82867	1.7
109.02869	2.3
111.00748	2.2
113.02332	3.4
115.00278	1.8
119.03426	1.9
125.02312	1.8
125.09623	1.8
134.04671	1.7
135.02893	8.0
142.99811	2.9
161.04494	2.2
163.11223	2.1
165.12759	7.1
171.10172	7.8
193.12283	2.6
197.11789	7.9
201.11247	2.1
209.11824	7.4
210.12296	1.8
211.13264	8.1
221.11858	5.3
223.13377	3.2
227.12772	5.2
229.97643	2.4
239.12952	3.4
247.20607	3.9
253.09258	14.6
277.21762	7.4
291.19681	44.2
292.19971	3.4
293.21075	2.0
309.20731	100.0
310.21115	8.3
390.77078	1.8
397.13358	2.8
545.30042	3.5
601.40814	2.5
624.74298	2.1
683.01550	2.1
867.43628	6.3
897.46313	5.9
898.46307	3.5
907.60797	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	897.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20272	1.8
69.96507	11.7
71.01260	23.5
72.99172	2.4
73.02828	5.5
73.73534	1.8
75.00735	8.2
78.95774	5.0
80.96389	4.4
83.01280	3.0
85.02833	5.5
87.00755	5.9
89.02324	14.9
97.02834	6.1
99.00742	6.0
101.02351	16.1
113.02334	6.2
119.03404	4.7
125.02342	3.2
125.09624	5.5
127.11195	2.7
135.02885	11.5
155.10570	2.0
163.11206	3.6
171.10207	3.8
181.12297	6.5
199.13327	5.6
201.11270	51.3
207.10231	8.6
209.11737	4.8
211.13318	3.4
217.14439	2.2
221.11823	2.7
225.11264	13.3
226.11653	2.1
235.08127	3.4
239.12869	2.4
243.12363	3.3
253.09270	4.0
255.23289	54.7
256.23639	5.2
276.63510	2.2
277.21783	9.9
309.20602	2.8
397.13492	11.7
554.17126	2.0
721.65009	2.0
731.92426	2.0
861.49072	7.3
862.49731	2.5
879.49493	8.0
897.50720	100.0
898.51373	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	897.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	2.3
71.01257	100.0
71.34323	1.3
72.01609	1.8
72.99194	3.9
73.02824	4.5
75.00750	49.9
78.75968	1.1
80.96409	2.0
81.03392	1.5
83.01236	3.0
83.04919	2.1
85.02824	7.7
87.00761	7.1
89.02328	19.9
95.01283	2.4
97.02846	5.1
98.20599	2.6
99.00764	2.4
101.02322	18.1
109.06512	4.8
111.04382	1.3
113.02346	9.5
119.03403	5.1
125.02346	7.5
125.09593	1.4
127.11208	2.8
131.03433	2.1
143.03412	5.9
152.99464	1.9
155.10701	1.8
161.04549	2.3
163.11223	3.7
171.10190	53.2
172.10513	1.6
179.05557	3.5
195.13869	2.9
199.09680	8.4
201.11240	12.2
207.10236	12.6
209.11798	1.3
221.06651	1.7
221.11751	16.3
222.12132	1.3
225.11293	8.2
235.08177	4.5
239.12892	7.4
243.12373	1.9
253.09267	2.4
255.23273	63.8
256.23535	3.5
277.21719	12.3
287.07608	2.1
291.19598	2.4
309.20520	1.8
355.17355	1.3
379.12372	5.5
397.13525	41.8
398.13998	2.8
415.14560	9.7
456.34293	1.6
637.26385	1.9
802.43335	1.5
861.48279	5.4
862.48309	2.5
879.49561	2.0
897.50378	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	897.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	2.2
70.95544	1.6
71.01257	100.0
71.57790	2.2
72.99188	3.2
73.02827	4.9
75.00748	15.7
78.18606	1.7
78.95785	3.7
80.96387	5.5
83.01257	3.5
85.02831	9.4
87.00767	7.9
89.02328	22.1
95.01254	3.7
97.02861	3.9
99.00750	3.8
101.02330	18.2
104.52676	1.7
109.06461	4.6
113.02339	14.1
116.92730	4.1
119.03409	4.1
125.02326	7.6
127.11149	2.1
143.03421	2.8
148.40611	1.5
155.10698	1.9
161.04396	3.7
163.11122	2.0
163.93478	1.6
165.61397	1.6
169.08479	1.6
171.10194	51.0
171.18704	1.5
179.05530	5.1
181.12276	2.1
199.09689	11.5
201.11269	11.5
207.10185	13.5
209.11749	2.8
211.13277	2.8
217.12572	1.7
221.06743	2.1
221.11752	14.3
225.11285	11.3
235.08197	5.1
239.10698	1.7
239.12837	9.9
243.12424	2.2
255.23274	65.4
256.23697	3.9
264.30304	1.6
277.21695	11.7
279.23312	4.3
287.07913	3.5
309.20526	2.0
379.12369	5.9
397.13483	46.7
415.14447	10.4
477.34814	2.1
605.24506	2.0
626.09961	1.9
637.27258	2.1
723.42719	9.1
787.69733	2.1
861.48468	7.1
879.47473	2.4
897.50421	15.3
898.50775	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	897.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84023	1.2
69.03329	1.6
71.01257	100.0
72.99189	3.6
73.02802	5.9
75.00749	2.9
77.47179	1.1
78.95760	2.1
79.95584	1.4
80.96378	5.8
81.03397	1.4
83.01261	2.1
83.04899	1.6
85.02821	5.1
87.00764	5.8
89.02322	18.2
92.83549	1.1
94.97993	1.5
95.01257	2.5
97.02819	6.2
99.00744	3.7
101.02326	21.4
109.06480	7.3
113.02345	9.2
119.03379	6.2
125.02297	7.3
125.09608	3.1
127.11193	1.8
137.09608	2.6
143.03371	3.9
155.10756	1.5
161.04482	4.3
163.11211	4.8
167.91748	1.2
171.08762	2.7
171.10197	49.6
172.10510	2.5
179.05487	2.5
181.12306	2.7
199.06003	1.7
199.09724	15.3
199.13313	3.7
201.11252	16.0
207.10210	20.0
209.11789	1.6
211.13237	1.6
221.06711	1.9
225.00694	2.2
225.11273	16.1
229.68172	1.5
235.08235	8.1
241.01172	1.3
243.12407	1.9
255.23280	77.2
256.23596	5.4
269.24850	1.7
287.07877	1.6
305.08902	1.7
323.09982	1.4
339.61984	1.4
379.12329	4.6
397.13516	41.4
398.13950	2.3
415.14471	10.0
623.25464	2.2
708.77228	1.3
835.47406	2.1
861.49298	11.7
862.48596	2.8
879.49707	2.9
880.51306	1.6
897.50659	20.9
898.49536	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	897.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81107	1.3
71.01251	17.8
72.99180	11.2
73.02837	1.2
75.00758	2.5
75.82330	1.1
77.90776	1.2
83.01276	4.4
85.02829	2.4
85.15870	1.2
87.00748	10.1
88.98716	1.7
89.02324	4.2
99.00730	7.7
101.02351	4.0
111.00739	2.8
111.04485	1.2
112.98694	19.3
113.02334	1.7
115.00255	17.3
124.98697	4.4
129.01863	1.6
135.02867	1.5
142.99776	34.0
145.01347	1.9
145.05049	1.7
156.00508	2.1
160.89867	1.2
171.10272	1.9
173.00856	7.3
174.01628	33.5
175.02397	27.7
176.24275	1.3
183.13884	4.5
191.03421	1.2
191.14388	1.3
195.13863	4.4
201.11383	1.8
209.11702	2.2
211.13345	100.0
212.13708	4.4
223.13341	8.4
225.11450	1.2
225.14914	1.3
229.40437	1.7
235.08206	6.9
237.14957	3.0
239.12964	1.5
245.11560	1.6
253.09268	13.0
263.12918	5.5
275.20245	4.0
293.21225	50.8
294.21579	3.8
394.89868	1.4
447.22430	13.0
448.22241	2.3
499.21942	1.6
511.61859	1.6
529.30206	1.7
761.41217	2.4
779.42615	5.5
780.41162	2.4
819.41602	7.1
820.41986	1.8
837.42426	3.5
879.44043	4.1
897.45575	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	897.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01265	20.2
71.49734	2.0
72.99187	12.0
73.02821	1.5
75.00755	3.0
83.01277	3.5
85.02834	3.2
87.00755	13.2
89.02334	1.8
96.95914	3.1
99.00766	10.1
101.02330	5.2
108.99660	1.2
111.00770	4.0
112.98704	25.0
113.02348	3.1
113.99553	1.2
115.00262	22.7
118.12893	1.4
123.70969	1.1
124.98722	3.3
135.02917	1.5
142.99779	36.7
145.01399	2.1
156.00565	3.6
161.04465	2.4
167.14326	1.6
171.10144	2.4
173.00858	8.8
174.01630	43.3
175.02414	29.7
179.14334	1.2
183.13878	6.0
195.13873	7.7
205.12274	1.3
209.11731	2.3
211.13358	100.0
212.13716	6.0
223.13361	9.7
225.14871	1.4
233.11942	2.4
235.08263	6.9
237.11284	2.2
237.14880	1.3
253.09282	17.6
263.13016	6.6
275.20105	6.0
291.19775	1.4
293.21262	78.6
294.21667	8.1
343.81357	1.2
447.22281	11.8
529.30261	2.4
761.41742	3.9
775.43317	2.4
779.42346	6.4
780.41937	2.1
793.44037	3.7
797.43335	1.8
819.42047	5.9
820.42261	2.0
837.43262	3.3
879.44336	2.3
897.45203	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99687	0.5
71.01256	5.4
71.57796	0.6
72.99185	5.1
75.00751	51.7
83.01251	0.7
83.04868	0.6
85.02808	1.1
87.00752	3.9
89.02325	8.8
93.61813	0.4
95.04941	0.6
97.02840	0.6
98.44242	0.4
99.00762	1.7
101.02304	2.2
109.02834	0.5
112.98701	0.6
113.02338	1.5
115.00263	3.9
117.01830	2.2
119.03345	0.5
125.02361	1.7
125.42924	0.5
135.02899	100.0
136.03221	1.4
161.00914	0.5
161.04510	0.5
163.57243	0.5
167.14316	0.5
171.10208	1.0
172.33347	0.5
175.02426	4.9
179.05438	0.5
181.12172	0.6
183.13855	4.3
185.11856	0.5
193.12183	1.3
195.86130	0.5
209.11774	2.6
211.13353	66.3
212.13646	3.5
221.11821	1.6
223.13383	0.6
235.08197	1.2
237.11162	0.5
239.12946	0.8
247.09698	0.6
251.13028	0.5
253.09294	5.3
265.10785	1.0
277.21738	35.8
278.22104	3.7
289.18243	0.6
290.18472	0.7
291.19492	0.6
293.21216	0.8
295.11905	0.9
307.19269	0.5
309.20529	1.1
338.17786	0.5
352.47189	0.4
397.13297	0.9
406.09552	0.5
447.22375	6.7
523.19684	0.5
577.30096	0.5
707.43481	0.8
751.42285	0.8
761.40942	1.0
775.43066	0.7
779.42041	2.3
780.42230	0.8
868.96979	0.5
879.43860	3.8
880.44720	0.9
921.50616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	25.0
72.99183	13.8
73.02837	2.4
75.00735	3.2
78.95818	1.4
80.96436	1.3
83.01253	4.3
85.02821	2.5
87.00761	13.0
88.98679	2.2
89.02325	1.9
94.77217	1.3
95.04935	1.5
96.95881	2.5
98.20565	3.4
99.00755	10.1
101.02326	4.8
109.06469	1.7
111.00762	5.0
112.98699	25.5
113.02339	4.9
115.00253	23.9
124.98677	4.1
125.02289	2.1
127.00296	1.6
142.99768	36.0
145.01292	2.8
156.00583	3.5
171.10158	2.6
173.00838	10.0
174.01627	41.5
175.02411	29.7
183.13808	6.3
185.11691	1.7
195.13829	6.2
205.12485	1.6
207.10168	2.1
209.11720	6.9
211.13344	100.0
212.13669	4.4
221.11826	1.9
223.13351	10.6
224.13547	1.7
225.11220	3.4
233.11691	2.4
235.08188	5.2
235.13280	2.3
237.11279	1.6
237.14996	1.9
243.09822	1.4
249.11429	1.8
251.12982	1.9
253.09279	18.5
263.12897	7.6
275.20148	8.8
291.19577	1.8
293.21228	77.7
294.21619	3.9
397.13654	2.8
411.35449	1.8
447.22342	8.3
529.30194	2.7
651.40045	1.6
723.43994	1.6
775.41779	1.6
779.42163	6.3
793.44159	3.3
794.43677	1.6
819.41577	6.2
837.42407	3.8
867.42798	1.8
879.43585	2.4
897.43689	5.5
913.65112	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	897.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11449	0.8
71.01245	2.0
75.00732	0.9
81.07944	0.7
85.02839	0.7
91.80306	0.7
93.26662	0.7
93.82041	0.6
95.56872	0.7
96.95905	0.6
107.01276	1.8
112.68744	0.7
113.02351	1.5
124.01563	1.5
125.02299	1.3
136.01637	0.8
137.02354	2.1
139.11217	1.0
151.00290	6.2
152.01038	0.9
163.00301	0.8
164.01019	1.2
169.01445	1.1
178.99797	6.2
203.03433	1.4
214.02763	3.9
221.63826	0.7
227.03569	1.2
230.01120	0.9
242.02138	4.2
243.02992	2.8
249.06174	1.3
255.02953	0.7
259.02350	3.3
267.07175	1.0
270.01804	5.0
271.02487	26.5
272.02914	1.8
287.01987	15.1
288.02652	1.5
299.01932	0.9
300.02637	3.7
301.03418	1.8
315.71887	0.7
316.02258	99.0
317.02887	20.8
318.03537	0.9
345.15543	1.0
433.17108	9.5
463.08865	100.0
464.09183	8.3
765.59863	0.8
771.83142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.445
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	1.3
71.01256	6.5
71.57745	1.7
71.58120	1.9
72.99184	4.8
73.02838	1.2
75.00748	47.7
80.32097	1.2
80.95706	1.3
85.02801	1.4
87.00769	2.8
89.02307	8.2
97.02845	2.4
99.00753	2.0
115.00291	3.0
117.01849	2.8
118.77936	1.4
120.91075	1.2
125.02380	1.9
135.02896	100.0
136.03247	2.6
165.64232	1.4
171.10257	2.0
175.02400	5.6
183.13783	2.6
209.11806	2.6
211.13347	42.4
212.13835	1.7
235.08176	3.5
239.12843	1.3
247.09856	1.8
253.09259	6.7
255.23308	6.8
274.05264	1.4
277.21732	61.8
278.22107	4.9
289.18076	4.1
290.18265	2.2
291.19449	2.0
292.19949	2.1
307.19107	4.0
308.19388	1.9
309.20612	5.3
310.21011	3.6
311.21625	2.1
447.22830	2.1
545.56671	1.5
555.18683	2.4
680.91772	1.5
879.43719	4.4
897.47418	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.528
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28848	5.9
71.01275	18.6
78.95782	18.2
80.96393	17.5
85.72723	6.0
88.98679	9.8
89.02315	18.1
98.20567	17.2
101.02325	13.4
113.02321	15.5
116.35675	7.2
128.72250	5.7
152.99580	7.1
161.04375	6.8
182.19902	6.6
209.11786	100.0
211.13345	12.4
227.12854	14.5
229.43939	9.2
255.23267	64.1
256.23633	7.5
379.12436	14.3
397.13370	39.8
422.97971	6.9
832.53845	8.6
895.46301	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	896.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78216	1.1
63.74705	1.0
70.26472	5.3
71.01258	4.0
74.02355	3.2
80.96404	2.9
82.95995	1.2
83.01292	1.0
87.00755	3.2
87.05559	1.5
89.02328	3.0
99.05529	2.8
101.02329	2.2
113.02339	2.9
119.03385	1.2
128.03432	9.3
143.04539	8.6
160.00645	2.7
197.47197	1.2
210.08748	1.7
211.13388	1.8
223.13278	1.3
245.97307	1.2
254.07774	3.7
261.59125	1.1
272.08847	8.3
275.20364	1.1
276.31870	1.1
277.21725	6.0
288.06799	1.6
291.19647	2.0
291.23325	1.1
293.21237	1.5
306.07767	8.0
323.09937	3.0
341.10812	5.0
343.94595	1.0
464.90106	1.1
475.15686	1.5
476.16803	3.7
485.23535	1.5
498.20010	1.4
503.23248	1.5
513.22925	10.8
514.23627	8.0
515.24353	2.1
517.22681	3.7
518.17584	2.3
529.20563	1.3
535.17987	6.0
547.21783	30.7
548.21924	3.7
549.19885	1.6
565.22919	1.6
578.27277	1.4
579.26917	2.6
591.20776	25.7
592.20978	4.4
623.23364	100.0
624.23499	15.7
864.30902	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	897.267
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80405	0.6
71.01257	1.7
71.15087	1.5
75.00750	1.3
81.25745	0.5
83.01227	0.8
85.02821	0.7
99.00770	0.7
107.01305	1.3
109.02821	0.8
113.02345	0.9
119.04897	0.8
124.01551	1.3
137.02351	2.1
151.00275	4.9
152.01003	0.7
163.00253	1.2
165.01921	0.6
169.01405	0.8
173.04527	0.8
178.99773	5.9
214.02623	3.8
233.06573	0.8
242.02121	3.7
243.02928	2.5
249.06050	1.1
255.03008	1.7
259.02448	3.1
269.54291	0.5
270.01776	3.6
271.02484	25.9
272.02875	1.1
287.01984	12.2
288.02524	1.2
300.02750	4.0
301.03409	2.0
316.02225	67.2
317.02927	14.8
318.03403	0.6
331.92264	0.6
345.15393	0.7
396.06302	0.6
433.17120	9.6
434.17331	0.6
463.08829	100.0
464.09171	8.3
628.74786	0.6
691.53467	0.6
901.53571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71554	2.0
69.03315	3.4
69.62730	2.0
71.01261	8.5
75.00757	2.8
78.95772	2.4
80.96445	2.3
83.01297	2.0
83.04896	3.2
85.02803	2.6
85.04797	1.9
87.00766	4.0
89.02313	6.8
95.01302	2.1
95.04889	2.4
97.02846	8.8
98.20563	4.6
99.00789	2.2
101.02324	5.0
109.06528	2.2
113.02347	6.0
123.04480	3.9
125.09618	5.3
137.09607	5.4
161.04552	3.6
163.11186	7.9
165.12796	6.5
171.10208	8.9
181.12190	5.3
185.11719	4.8
191.14355	6.6
197.11809	4.1
207.10146	5.0
208.88060	2.4
209.11850	18.6
211.13397	7.4
227.12833	3.9
235.08234	4.7
245.19127	10.6
247.20641	3.6
253.09270	33.1
263.20193	4.1
277.21732	4.3
286.96219	2.4
289.18161	86.2
290.18372	4.7
291.19693	59.7
307.19199	70.3
308.19553	7.2
309.20749	100.0
310.21033	8.6
327.83075	2.9
331.06421	2.6
525.26947	3.3
545.29791	2.5
557.77856	2.4
698.47723	3.1
721.41602	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	895.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50606	1.0
69.03333	1.8
69.34176	0.9
71.01259	25.7
71.05807	1.0
71.06132	1.7
72.99197	3.5
73.02828	2.8
75.00771	1.8
78.95797	1.6
81.03334	1.4
81.59061	0.8
83.01266	1.7
83.04887	1.2
85.02831	4.3
87.00768	3.6
88.98708	1.1
89.02318	9.1
91.15308	0.9
92.04912	0.9
95.01284	1.2
95.04926	1.0
96.95876	1.2
97.02814	3.3
97.06487	0.9
99.00766	3.1
101.02332	10.5
108.21493	0.8
109.02811	1.2
109.06477	2.9
111.00763	1.5
111.08028	0.9
113.02324	6.0
114.61166	0.8
115.00233	0.9
119.03418	3.8
121.02836	1.4
123.04427	0.9
125.02366	3.7
130.26682	0.8
143.03409	2.4
149.02423	1.2
156.00525	1.5
161.02332	1.0
161.04428	2.6
163.11214	1.3
167.14336	1.7
171.10199	2.1
179.05525	2.5
183.13855	8.5
187.85747	0.9
192.11482	1.8
193.12280	2.5
197.11752	2.6
207.10208	6.4
207.13802	1.6
209.11670	4.2
211.13345	100.0
212.13603	5.3
217.94113	1.0
220.14647	9.1
221.15413	20.6
223.13342	3.2
225.11336	4.3
227.12801	2.5
235.08229	3.0
236.10495	19.7
251.12830	1.8
253.09279	1.3
261.11224	1.1
263.12894	2.1
265.21970	0.9
279.12399	1.7
291.19687	1.2
293.17612	13.3
309.20700	2.3
379.12460	3.8
397.13547	22.7
398.13864	1.6
415.14722	4.2
473.59412	1.2
591.26630	8.0
592.26337	1.4
609.27838	8.8
623.25793	1.7
689.38141	1.1
785.40179	2.9
803.41010	2.9
817.38837	3.2
833.43866	1.8
835.41272	14.7
836.41064	2.4
877.42267	3.0
895.43695	7.8
896.42834	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	895.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	4.4
70.93070	6.2
71.01257	63.5
72.99184	11.7
73.02824	5.7
75.00758	9.1
75.36762	2.1
77.62141	2.2
81.27966	2.0
82.28881	2.4
83.01273	5.8
83.04881	2.8
85.02836	11.1
87.00757	6.4
88.98673	2.8
89.02328	14.3
93.03359	3.7
95.01224	2.0
95.04944	2.2
97.02840	8.7
97.06475	2.8
99.00749	15.6
101.02323	11.4
108.02028	2.6
109.06465	8.1
111.00766	6.4
111.08067	4.3
113.02352	9.5
115.00255	8.6
119.03342	3.5
121.02838	4.6
123.00759	3.0
124.98727	2.8
125.02375	5.7
136.01553	5.4
138.03166	3.2
140.01082	2.3
143.03336	2.5
149.02383	2.5
150.03096	2.8
156.00584	4.6
157.01300	3.0
161.04443	2.5
163.03899	5.3
163.11220	4.5
165.09166	2.2
165.12776	3.2
171.10175	9.7
175.03885	2.8
177.05446	2.8
177.09128	2.9
181.12285	3.0
183.13823	8.0
189.12703	3.3
190.54233	2.0
192.04239	3.7
192.11441	2.4
197.11784	13.8
199.09767	2.3
199.13200	2.2
201.11259	4.2
203.14214	2.7
205.12321	3.7
207.10228	19.9
207.13818	6.9
209.11865	11.7
209.80029	2.5
211.13356	58.2
217.12227	2.2
220.14612	12.3
221.15399	29.8
223.13329	10.5
225.11270	14.9
225.14975	3.5
227.12833	5.1
233.11699	4.6
235.08165	5.6
235.13405	4.4
236.10503	22.3
249.14915	2.5
251.12947	12.7
253.09309	7.2
259.13284	3.1
261.11346	7.5
263.12878	8.9
277.14465	2.2
279.12381	3.8
289.10919	4.6
291.19647	16.0
293.17581	17.0
307.11789	4.6
309.20706	15.3
337.11334	2.6
377.84958	2.2
379.12204	3.5
388.10461	2.3
397.13608	16.6
401.23093	3.2
415.14493	5.9
419.24454	3.3
449.32446	2.5
455.35202	14.3
580.23383	2.2
623.26282	3.1
675.37903	4.1
799.37457	5.8
817.38306	12.7
818.38715	3.3
833.43396	9.0
835.41357	100.0
836.41125	18.2
851.44910	3.5
859.41388	3.7
865.42242	10.9
866.42419	2.6
877.42462	11.4
878.43213	4.9
895.43677	66.5
896.43207	10.2
908.00018	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	895.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21008	0.7
69.03339	1.9
71.01258	37.3
71.57780	1.6
72.99187	2.6
73.02831	3.7
75.00759	1.7
78.95786	1.7
81.03333	1.4
83.01302	1.5
83.04928	1.4
85.02837	4.3
87.00767	4.1
88.98698	1.4
89.02323	10.1
95.01277	1.9
95.04949	0.9
97.02839	3.4
99.00774	2.6
101.02335	11.3
109.06480	5.0
111.00761	0.9
113.02342	5.5
115.00262	1.3
119.03404	3.0
125.02322	4.3
125.09601	0.8
131.03421	0.8
143.03435	1.5
149.04440	1.1
161.04446	2.2
161.42453	0.8
163.11188	2.8
171.10187	3.5
179.05566	2.9
181.12277	1.2
183.13831	8.3
188.31850	0.8
193.12296	2.9
197.11832	1.8
199.09818	1.3
199.13373	0.9
201.11243	2.0
207.10223	11.3
209.11787	4.5
211.13356	100.0
212.13713	3.0
221.06612	1.9
223.13393	1.0
225.11316	7.9
227.12891	2.7
235.08199	4.5
235.13472	0.9
259.20737	0.9
263.13016	0.9
287.07748	1.2
291.19620	1.7
305.08737	1.3
379.12262	3.8
397.13510	22.6
398.13818	1.8
401.23111	1.3
415.14404	4.8
419.24075	1.9
591.26361	5.1
605.24567	1.0
609.27716	8.0
623.25439	1.9
785.40308	2.7
799.37262	2.8
800.07904	1.0
803.41016	1.4
817.39154	5.7
818.39685	2.2
835.41260	6.7
836.40375	1.6
895.43225	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	893.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01846	2.7
62.56188	2.6
63.96112	3.1
70.79884	2.3
71.01241	7.4
74.28754	3.1
78.98470	8.7
79.61829	2.9
79.95621	26.6
80.96396	90.0
87.00732	4.3
94.97977	22.2
101.02377	3.5
106.97974	3.9
121.89664	3.0
121.92727	2.7
122.97466	6.3
128.37283	2.6
134.97446	5.5
148.99046	6.0
152.98514	10.5
164.98534	14.4
206.99701	3.7
216.54965	3.0
225.00743	25.1
226.57869	2.9
278.47516	2.7
393.18045	2.9
509.72202	3.2
893.53027	100.0
894.53674	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	895.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	5.9
71.58047	4.5
72.48757	2.1
75.00726	2.6
82.03626	2.4
85.02866	3.6
93.03329	5.4
111.04433	3.7
119.04938	2.6
137.02200	2.6
145.02838	5.8
150.03145	4.8
150.54285	2.5
155.03398	4.6
165.01907	3.1
165.05479	7.2
173.04457	25.6
191.05614	9.2
195.06572	5.9
197.47293	2.5
225.07657	2.4
233.06644	100.0
237.34566	2.5
239.07565	2.4
262.66916	2.3
295.74350	2.6
319.08380	12.5
379.10287	12.6
489.16211	6.6
686.85504	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	895.418
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	3.3
69.73454	6.9
69.73866	2.6
71.01258	100.0
72.99181	8.1
73.02805	5.1
78.95800	2.3
81.03298	1.8
83.01260	3.8
83.04910	2.7
85.02822	8.5
87.00749	6.3
89.02326	21.7
95.01250	2.0
97.02811	8.0
99.00760	5.3
101.02317	17.7
109.02835	1.8
109.06487	19.2
113.02341	8.5
115.00249	1.8
119.03374	5.9
125.02339	5.5
125.09612	2.9
134.77837	1.4
135.08127	1.4
136.05154	2.1
143.03375	3.4
149.02298	2.0
149.04472	2.0
161.04440	3.7
163.11208	11.9
171.10173	12.1
179.05536	4.8
181.12291	4.2
183.13821	4.9
185.11870	1.7
189.09164	1.6
193.12286	2.5
197.11792	8.7
199.09656	3.2
199.13252	2.8
201.11237	7.3
207.10237	41.4
207.13828	2.2
208.10428	1.6
209.11734	12.0
211.13347	61.3
212.13658	2.0
221.06494	2.0
225.11287	32.9
226.11595	2.9
227.12781	8.1
233.11797	1.8
235.08195	2.2
235.13252	2.5
243.12321	3.3
251.12805	4.2
253.09441	2.1
261.11356	2.2
263.12897	2.0
287.07831	2.7
291.19666	4.6
309.20709	5.5
348.40942	1.8
397.13574	21.2
401.23325	3.3
415.14578	6.7
419.24405	5.0
455.35300	3.0
596.74396	1.9
605.24487	3.1
623.25452	7.0
646.80585	1.7
717.05591	1.7
771.37238	2.2
799.37799	6.1
817.38934	18.9
818.39276	6.1
833.44226	1.9
835.41138	25.5
836.41486	3.6
865.41260	2.2
877.41565	2.3
895.43884	16.3
896.45081	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	895.418
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	3.9
71.01262	100.0
72.99187	6.4
73.02824	6.7
75.00747	4.3
78.95804	4.0
81.03338	3.0
83.01258	5.6
83.04904	4.0
84.44000	2.8
85.02841	7.5
87.00746	7.0
88.98729	3.6
89.02324	19.1
95.01259	3.8
95.04925	3.3
97.02851	9.4
99.00765	6.7
101.02326	18.7
108.02085	2.4
109.06512	14.3
111.00787	3.1
112.98718	2.7
113.02344	12.9
115.00263	4.5
119.03394	5.4
120.38782	3.0
124.21732	2.3
125.02351	7.6
135.08023	2.9
143.03403	3.0
161.04561	2.7
163.11220	8.7
167.46188	2.5
171.10213	7.2
179.05573	4.8
181.12285	2.6
183.13828	6.6
193.12469	2.5
197.11829	3.2
201.11340	7.2
207.10239	43.2
208.10745	2.5
209.11783	12.7
211.13370	99.0
212.13719	5.9
224.55746	2.6
225.11279	30.3
227.12874	6.0
235.08217	9.8
251.12883	5.5
253.09351	4.4
263.12839	4.4
291.19656	14.9
305.42120	2.7
309.20795	6.2
373.24066	2.4
379.12354	2.8
391.25235	3.2
397.13528	29.9
401.23294	7.7
415.14771	9.3
435.82791	2.5
447.21808	2.7
530.37177	3.3
623.26019	4.7
771.38300	3.2
799.37537	9.4
817.38727	21.1
818.38483	5.9
835.41174	33.9
836.41125	4.5
877.42084	5.6
895.43091	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	893.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	7.8
79.95590	1.3
80.02540	1.4
81.03316	1.5
83.01263	3.2
83.04876	1.4
85.02842	1.8
87.00760	2.3
88.25899	1.2
89.02309	3.3
95.01284	1.3
95.04884	2.0
96.96838	1.3
97.02837	2.7
97.06480	5.8
101.02327	8.5
106.04134	1.6
113.02331	2.6
119.03361	2.4
121.06501	1.2
123.04381	2.6
123.08047	2.4
125.09629	8.6
137.09595	3.7
161.04485	2.1
161.09558	2.0
163.11232	9.9
165.12758	2.8
171.10170	6.2
173.87804	1.3
177.12692	1.5
185.11794	11.4
191.10741	3.0
191.14371	9.9
207.10178	4.0
209.11786	23.1
211.13280	4.9
223.13289	1.3
225.11288	4.6
234.25119	1.3
235.08200	1.7
237.11299	4.8
245.19078	23.4
246.19316	2.2
253.09293	14.9
255.23235	2.5
263.20178	5.0
271.17117	2.6
289.18115	100.0
290.18460	7.8
307.19165	93.3
308.19559	5.6
309.20712	2.0
331.19009	1.7
338.15897	1.2
525.27289	2.5
543.28094	2.2
614.50806	1.4
833.46814	1.8
893.51239	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	893.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99590	6.1
71.01252	26.8
72.99158	2.0
73.02831	13.6
75.00744	4.6
83.01254	5.4
85.02842	10.3
87.00761	3.5
88.98701	1.5
89.02307	4.8
93.03348	3.1
95.01256	2.8
96.65025	1.4
99.00764	34.0
99.92453	1.8
101.02333	21.5
108.02073	1.8
109.02852	2.4
113.02339	11.9
115.00262	2.1
116.92750	16.6
118.53390	1.9
119.04926	2.9
120.38060	1.4
121.02831	9.1
123.04412	1.4
125.02306	2.3
137.02318	3.5
141.12662	1.7
143.03421	2.8
145.02856	3.8
147.04434	4.5
149.02336	3.0
150.03119	1.6
151.00301	4.6
151.03911	6.2
153.01923	2.6
159.11452	1.5
160.01535	2.2
161.02362	17.1
161.04445	3.5
161.05817	1.7
163.03912	12.9
165.01828	3.6
165.05612	2.0
166.02637	1.9
167.03351	3.1
173.02356	2.1
174.03131	5.7
175.02498	2.6
175.03934	35.5
176.04701	17.2
177.05463	6.4
178.99799	1.8
179.03406	33.5
180.04214	22.4
188.04716	7.4
189.05478	14.6
190.06288	44.3
191.05515	5.1
191.07047	38.6
192.04224	2.1
192.07440	4.3
193.04993	18.5
194.05780	49.9
195.06450	5.5
203.07082	5.1
205.08641	35.3
207.04935	1.5
207.06595	10.3
208.07350	22.7
209.08131	88.1
210.08493	3.5
221.08221	2.0
222.08981	2.6
223.09773	2.7
227.03152	1.6
253.13449	4.5
257.12872	3.9
271.02457	2.4
285.03989	5.1
286.04312	2.8
287.04550	1.8
293.08749	6.0
299.02066	1.8
300.02817	4.9
315.05179	2.3
315.14661	2.3
344.12509	7.1
345.13400	8.7
359.14984	100.0
360.15320	10.9
373.16714	3.2
389.16098	4.8
432.09985	1.7
477.10757	1.9
503.17731	81.5
504.18066	8.8
599.25006	23.5
600.25348	4.3
676.02423	1.7
724.21674	2.2
817.14246	1.8
831.31189	4.4
849.31580	6.1
893.34802	53.9
894.35120	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	893.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02259	8.0
65.00204	10.3
68.77829	1.4
69.37864	17.6
70.57246	1.8
76.76066	2.0
78.21486	1.8
80.43057	1.8
98.85220	1.6
107.01280	22.5
109.02877	4.4
121.02844	3.1
123.00762	2.5
124.01520	6.1
125.02312	3.9
137.02289	2.5
148.01617	2.3
149.02348	6.9
151.00275	62.1
152.01060	20.0
153.01689	1.6
161.02327	3.5
163.00334	6.2
169.01352	15.7
171.04414	2.3
175.03928	4.9
178.99794	82.9
187.03969	2.1
190.99779	2.3
192.00569	5.4
193.01399	12.3
199.03957	3.1
203.03491	11.3
211.04012	3.0
213.01981	2.9
214.02745	3.0
215.03424	3.7
226.02632	6.0
227.03346	10.1
237.01895	4.8
239.03383	2.5
241.01337	2.4
242.02144	3.4
243.02827	2.5
245.04660	2.6
253.01494	4.2
254.02217	8.9
255.02942	17.0
267.02966	4.7
269.00964	9.7
271.02444	20.0
272.03024	2.2
281.00986	2.2
283.02444	5.3
295.02643	4.3
297.03650	3.2
299.01965	7.8
307.06000	2.1
311.01663	2.5
313.03406	2.8
333.03915	2.3
335.05502	2.3
341.03061	7.9
347.05682	3.9
349.03571	1.9
365.02875	3.9
375.05063	3.2
377.02591	3.0
389.02850	4.3
390.03128	2.3
404.05316	3.4
405.06207	12.2
407.04102	14.8
419.03741	4.2
421.05557	4.8
433.01901	5.9
447.03696	2.5
449.05182	3.7
451.03229	2.8
535.28253	1.8
600.05573	4.7
601.06177	22.4
602.06732	2.5
746.10980	2.8
747.12012	61.2
748.11688	5.3
893.17810	100.0
894.18317	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	891.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	3.6
62.41915	1.1
65.03821	1.4
68.99670	1.3
69.03310	1.6
69.38432	11.5
71.01260	40.2
71.74358	1.0
72.99181	13.5
73.02827	9.6
75.00363	1.9
75.00751	24.1
78.95334	1.3
81.03304	3.4
83.01244	4.2
83.04900	1.2
85.02353	1.8
85.02827	30.7
87.00742	8.1
89.02326	7.9
93.03307	1.6
95.01242	5.6
96.95871	2.1
97.02829	2.2
99.00770	14.1
101.02356	8.1
103.00233	2.7
103.03880	2.0
109.02820	1.9
113.02334	17.5
115.00253	2.3
117.01786	3.2
117.03339	1.5
119.03381	1.9
119.04917	2.0
121.02829	2.2
121.10093	5.0
125.02299	2.3
132.02019	1.6
134.03574	3.6
136.01488	2.3
137.02271	1.6
139.00290	1.8
145.02817	3.4
147.00656	1.8
149.02345	8.9
150.03085	4.6
151.00308	1.2
151.03877	2.3
160.01573	7.4
163.03915	2.1
163.07373	1.2
164.04649	5.2
165.05421	4.8
165.09094	5.8
167.10692	10.3
171.32707	1.1
175.00227	3.7
175.02429	2.5
175.03880	7.1
179.07001	2.1
190.02650	6.7
193.04979	2.7
195.06483	2.4
199.01563	1.2
202.48396	1.2
205.04941	5.4
209.11754	1.7
223.06027	5.1
228.99593	1.3
233.59933	1.5
249.06093	11.1
267.06955	3.3
311.14841	1.9
329.15887	5.4
337.09381	10.9
387.16293	1.7
417.17245	3.4
586.10101	1.7
729.33160	2.2
891.38550	100.0
892.39423	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	3.8
71.01254	20.4
72.99178	2.4
73.02813	12.7
83.01266	4.9
85.02833	8.8
87.00766	3.7
88.98674	1.6
89.02325	7.9
95.01269	2.9
96.87125	1.3
96.95934	1.7
98.19759	3.1
99.00759	29.3
101.02325	18.4
108.02089	1.8
109.02829	3.9
109.83647	1.7
110.12853	1.4
113.02327	7.4
119.04934	3.3
121.02840	3.7
122.03627	2.2
123.00776	3.4
123.04404	1.8
125.02371	1.9
131.03435	2.6
133.02798	1.9
134.03659	2.7
136.01558	53.9
137.02350	5.7
139.31111	1.8
143.03444	3.1
145.02904	1.7
147.04451	2.4
149.02380	3.4
149.05971	1.8
150.03152	3.7
151.00284	15.6
151.03912	61.0
152.01007	2.5
152.04381	1.8
153.01854	1.6
160.01576	4.6
160.05281	2.0
161.02359	18.8
161.04488	4.6
161.05891	1.6
162.03088	2.8
163.03923	2.8
164.04692	1.8
165.05408	1.8
166.02628	38.6
167.03342	4.6
173.02353	1.8
175.03984	5.7
176.04704	11.1
177.01852	1.9
177.05507	2.5
179.03441	34.5
179.07030	1.5
180.04034	2.2
181.04994	36.5
189.05484	3.1
190.02675	1.9
190.06273	3.0
191.03407	4.9
191.05516	9.9
191.07104	6.7
192.04294	2.1
193.04970	2.1
194.01958	1.9
194.05783	39.9
195.06499	4.3
203.03612	1.7
203.05510	2.3
205.04997	4.7
206.05794	3.6
209.08144	100.0
210.08478	5.0
217.70363	1.7
221.08215	8.3
227.03485	1.7
246.16354	1.5
255.02966	6.2
258.75790	2.0
284.03201	6.0
285.03687	1.9
293.08746	6.6
297.07730	1.6
300.02896	1.7
309.07645	2.4
313.03720	2.4
316.33496	1.6
327.08664	2.1
329.10345	3.1
339.08871	2.2
342.11188	5.3
355.11993	1.8
357.09717	15.7
357.13544	14.0
369.13547	3.4
371.14944	2.5
372.11978	9.8
373.12756	8.9
387.14529	39.1
388.15039	3.0
503.17688	94.0
504.18207	7.0
567.22144	1.8
576.27661	2.0
597.23431	12.8
598.23499	2.0
843.26935	1.9
861.31689	2.6
891.32495	33.1
892.32715	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	889.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	16.5
71.01614	1.3
72.99187	1.4
73.02819	3.3
75.71886	0.7
78.95777	0.8
80.96396	3.4
81.03344	1.9
83.01270	3.0
83.04904	3.9
85.02821	4.8
85.39183	0.8
87.00753	4.0
87.37437	0.8
89.02319	13.0
95.01315	1.0
97.02838	2.4
99.00790	1.6
101.02329	12.5
113.02345	7.8
119.03389	3.5
120.03695	0.8
125.02379	6.2
136.01601	1.1
143.03468	2.0
151.03880	1.5
161.04482	2.7
163.11232	4.1
165.12798	1.4
166.75430	0.9
179.05513	4.0
181.12227	0.9
207.10231	1.9
209.11783	100.0
210.12114	5.6
221.06602	1.4
225.00667	1.2
225.11333	2.2
227.12871	10.7
235.08226	6.1
253.09396	1.5
255.23203	1.1
279.60342	0.8
281.24860	58.9
282.25275	4.9
283.26437	1.6
287.07739	1.3
295.26419	1.0
305.08975	1.3
323.09756	1.2
357.13364	1.5
373.65106	0.8
379.12338	6.2
397.13501	40.5
398.13788	2.3
415.14432	8.8
589.24261	0.9
798.42554	0.9
889.50507	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	891.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79149	0.8
69.81963	4.5
71.00892	1.3
71.01255	15.7
72.99160	2.8
73.02805	2.1
75.00749	17.0
83.01267	1.3
85.02344	1.5
85.02825	18.3
87.00752	4.4
87.78939	0.7
89.02309	2.0
92.29015	0.7
95.01255	1.6
99.00756	6.0
99.20508	0.8
101.01736	0.9
101.02309	3.5
109.82128	0.7
112.01614	1.3
113.02332	19.3
115.00249	1.7
117.01829	1.0
129.01813	0.8
146.18210	0.8
161.04448	2.0
173.04497	1.1
192.31483	0.7
244.49211	0.8
262.68204	0.8
269.10327	1.2
291.99677	0.8
299.37283	0.8
385.11371	0.8
445.13492	100.0
446.13818	5.8
477.34479	0.8
567.52490	0.8
920.83325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	1.1
67.37422	0.9
69.03341	1.4
71.00871	0.7
71.01256	18.3
72.99178	1.6
73.02821	3.0
78.95775	2.7
80.96406	2.2
83.01257	3.3
83.04899	1.0
85.02817	5.9
87.00751	7.8
89.02319	15.3
94.56250	0.8
97.02831	3.0
98.19755	1.7
101.02322	11.4
113.02324	9.8
116.92798	1.0
119.03376	4.4
125.02330	10.4
127.11166	1.9
143.03413	2.5
152.99409	1.1
161.04414	4.5
171.10190	100.0
172.10536	3.0
179.05550	3.8
199.06158	1.2
207.10100	1.3
209.11780	9.2
217.07162	1.6
221.06528	1.4
227.12726	1.2
235.08200	6.4
253.09337	1.2
277.21729	74.8
278.21967	5.1
281.24838	4.2
281.27747	1.0
287.07703	3.0
305.08951	2.6
323.09930	1.2
379.12469	12.9
397.13495	46.2
398.14001	2.5
415.14642	8.4
449.24326	1.0
531.74609	1.1
551.23676	3.0
569.24908	2.0
587.67578	1.0
650.54358	1.1
675.35400	1.4
776.27881	1.1
889.48199	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	889.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07023	3.0
76.38379	3.7
77.77097	3.2
93.03321	17.0
96.71597	3.3
101.40974	3.3
105.26900	4.6
118.77155	3.6
134.03658	28.1
137.02295	5.8
149.05995	6.5
155.03391	6.0
160.01564	9.4
173.03094	5.2
173.04495	62.5
175.03958	9.5
191.05530	16.0
193.04988	21.8
233.06648	100.0
236.48579	3.3
331.17398	3.8
349.09235	57.9
367.10507	4.7
391.19580	5.1
409.11334	18.9
457.99124	3.8
590.92834	4.1
798.14331	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	889.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98725	7.4
69.63712	40.9
75.68521	5.7
89.56388	5.6
98.20459	7.4
99.00816	6.0
99.92467	10.1
101.02335	6.6
109.61696	5.9
116.92752	100.0
117.92744	8.8
171.10226	12.5
197.11748	8.0
200.62814	6.5
209.11835	30.1
211.13290	8.4
211.26868	6.5
253.09277	5.8
289.18039	8.0
291.19507	9.9
297.20468	5.6
307.19186	50.8
308.19440	6.9
309.20721	59.9
325.20203	19.2
343.34213	5.9
352.88019	6.4
403.09351	6.3
436.60382	6.2
539.46375	6.2
543.28131	21.6
766.41418	7.2
835.48657	12.9
889.47760	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	887.4646
Annotation	Nostophycin
Peak:m/z	Relative Intensity
67.60025	1.6
67.95426	1.5
71.00381	2.0
71.00693	2.7
71.00871	1.3
71.01263	18.9
72.99147	1.8
73.02824	1.6
76.66711	1.3
85.02824	3.7
87.00762	4.3
87.14136	1.3
89.02318	9.7
96.95908	8.4
97.02844	1.6
97.06483	1.9
101.02341	9.8
113.02340	4.4
116.92755	12.0
117.92710	1.5
119.03428	2.3
119.63508	1.4
125.02358	3.4
149.02380	1.5
151.11200	8.7
153.36005	1.5
161.04410	1.5
168.08447	1.4
169.12277	55.5
170.12665	3.6
176.41869	1.4
179.05519	1.8
195.13864	4.2
209.11610	3.3
211.13390	4.2
213.11308	8.5
221.06694	3.3
223.13408	2.8
248.76118	1.6
291.19498	1.6
293.21292	12.3
294.21640	2.4
309.20587	2.9
341.23398	1.5
397.13684	6.0
398.13760	1.8
593.23639	1.6
611.25507	4.8
779.24512	1.6
887.46661	100.0
888.46954	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	887.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01758	1.5
69.55822	0.4
69.91737	0.4
71.01257	1.4
71.15707	0.4
71.16031	0.7
81.03314	0.5
83.01263	0.5
83.04890	0.4
85.02814	0.6
93.03333	11.9
107.01250	0.9
109.02841	0.7
111.00759	0.6
111.04387	2.5
117.03376	0.8
119.04901	1.0
124.01501	0.5
137.02347	4.7
145.02875	1.3
151.00298	4.3
155.03403	3.4
163.00282	1.1
163.03886	1.5
164.01068	0.6
169.01343	0.6
173.04475	66.2
174.04803	2.3
178.99765	2.3
191.05542	6.3
214.02736	2.3
227.03578	0.6
233.06627	100.0
234.07002	4.0
242.02176	2.1
243.02911	1.1
255.02884	0.5
259.02417	1.8
270.01691	2.1
271.02463	15.3
272.02750	0.9
287.01999	7.7
288.02484	1.1
300.02814	1.6
301.03464	0.9
316.02249	39.4
317.02896	9.6
319.08133	3.3
337.09549	0.7
379.10345	22.3
380.10782	2.1
463.08838	52.9
464.09152	5.9
657.06024	0.5
751.20496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02282	1.4
65.00191	2.6
83.01275	2.7
90.20637	0.9
91.03168	0.9
91.56264	0.9
93.51233	1.0
98.20601	1.6
107.01261	6.6
109.02843	2.2
121.02820	2.8
132.02037	1.1
133.02841	2.3
134.03645	1.0
135.04372	1.0
140.84708	0.9
151.00287	29.2
160.01555	3.1
161.02361	3.3
163.00301	1.6
169.01326	1.6
171.04416	1.2
175.00281	2.5
175.03908	3.2
178.99844	5.4
183.04370	0.9
197.02412	1.1
199.03868	6.1
201.01907	2.0
215.03465	2.9
226.02617	1.7
227.03481	6.1
229.81050	1.2
243.02959	9.4
255.02859	4.5
271.02496	81.8
272.02930	6.3
278.17145	0.9
283.02417	1.9
284.02951	1.2
299.01984	100.0
300.02692	38.3
301.03531	63.0
302.04013	4.4
315.05167	10.3
323.07776	5.7
343.04373	1.2
380.03250	0.9
489.10059	1.2
505.09918	14.9
506.09915	1.6
517.09900	3.0
519.11578	1.1
587.17572	0.9
638.12872	9.3
639.13568	73.7
640.13831	9.3
843.19922	41.6
844.20117	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	885.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	0.3
66.62998	0.3
68.99706	0.4
69.03321	1.0
71.01257	14.8
71.15400	0.7
72.99181	1.0
73.02827	2.5
79.95596	0.5
80.02556	1.0
80.96395	2.1
81.03345	2.0
83.01248	1.8
83.04911	5.6
84.02045	0.8
85.02824	3.7
87.00749	3.8
89.02323	13.1
95.01268	1.2
95.04903	0.6
97.02842	2.0
99.00765	1.0
99.04391	0.3
99.98982	0.3
101.02325	10.1
109.02834	0.5
109.09717	0.3
111.00761	0.3
111.04412	0.7
111.08023	0.3
113.02345	6.6
115.03900	0.4
119.03399	3.5
121.02819	0.4
125.02349	5.5
125.06003	0.6
131.03426	0.5
135.08047	0.8
139.03932	0.7
143.03444	2.4
143.92401	0.3
145.04904	0.3
149.04442	0.3
161.04483	2.7
163.11201	4.4
164.11624	0.4
165.12814	2.9
167.03439	0.4
179.05556	3.1
181.12259	0.7
191.10718	1.3
199.06100	0.5
199.13359	0.4
209.11783	100.0
210.12143	5.9
217.07162	0.6
221.06674	1.2
225.00670	0.5
227.12848	9.9
228.13197	0.6
235.08205	4.3
251.12910	0.6
253.09245	0.8
263.07767	0.5
277.21735	40.5
278.22079	2.7
287.07785	1.6
301.09497	0.3
305.08948	2.0
323.09888	1.2
361.11548	0.4
379.12448	4.4
380.13052	0.5
380.90125	0.4
397.13538	27.9
398.13882	2.3
415.14584	7.3
416.15219	0.5
576.68182	0.3
589.24353	0.3
607.26141	0.9
771.77350	0.3
885.46442	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	885.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98691	0.3
62.44069	0.4
68.99693	0.4
69.03321	0.7
70.18878	1.6
70.87744	0.3
71.01257	17.5
71.45831	0.4
71.53912	0.4
71.68543	0.4
72.99191	0.9
73.02829	2.5
73.57612	0.4
78.95781	1.1
79.95611	1.2
80.02559	1.1
80.96389	2.2
81.03342	2.2
83.01278	1.6
83.04898	6.2
84.02028	1.0
85.02824	3.9
87.00766	3.7
87.91962	0.4
89.02321	11.4
93.58934	0.4
95.01273	1.0
95.04932	0.7
95.24534	0.4
96.95876	0.4
97.02821	2.0
99.00747	1.2
101.02327	11.0
109.06510	0.5
111.04418	0.5
112.32214	0.4
113.02340	6.9
116.92709	1.0
119.03409	3.2
121.02907	0.5
125.02338	5.8
125.06059	0.4
126.02607	0.4
131.03391	0.6
135.08066	0.5
139.03906	0.5
141.01859	0.5
143.03371	2.0
144.25586	0.4
149.04422	0.5
161.04478	3.1
163.11215	4.6
165.12762	2.4
166.70621	0.4
179.05562	3.2
181.12309	0.7
191.10747	1.5
199.05884	0.4
199.13330	1.2
207.10254	0.9
209.11780	100.0
210.12106	5.5
211.13362	2.1
217.07109	0.8
221.06654	1.4
225.00887	0.6
225.11292	1.6
225.14954	0.4
226.11537	0.7
227.12856	13.6
229.29916	0.4
235.08159	4.4
236.08543	0.6
251.12891	0.7
253.09392	1.0
263.07706	0.7
277.21738	39.2
278.22125	4.5
287.07724	1.3
293.21207	1.2
305.08847	1.6
323.09866	1.0
379.12491	4.6
397.13522	27.1
398.13889	2.2
415.14578	7.3
416.15131	0.6
461.06635	0.5
469.33191	0.5
607.26019	0.9
885.47772	2.7
886.48627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99677	0.7
69.03327	2.5
69.64722	3.5
71.01261	26.4
72.99183	1.5
73.02832	3.7
75.00732	0.8
80.02554	0.9
81.03359	2.5
83.01276	2.3
83.04905	3.9
85.02836	5.7
87.00766	5.4
87.70176	0.6
88.54559	0.5
89.02327	21.1
95.01263	1.8
96.95902	1.1
97.02847	3.7
98.20600	1.1
99.00772	1.7
101.02333	18.6
109.02885	0.5
111.00760	0.6
111.04359	0.5
113.02343	10.5
119.03392	5.3
125.02353	7.5
131.03395	1.4
133.04936	1.0
136.70378	0.5
139.03917	0.7
143.03427	3.1
145.06090	0.7
146.04489	0.7
147.85022	0.5
149.04427	0.6
161.04494	4.6
163.11206	2.6
165.12749	1.8
167.03487	0.6
167.14323	0.9
171.10252	1.4
172.10136	0.5
179.05557	5.8
179.14409	0.8
180.20065	0.6
181.12244	0.9
183.13841	6.9
191.10724	0.8
193.12262	1.8
195.13887	6.3
199.06157	0.6
207.10133	0.9
209.11790	67.4
210.12189	3.0
211.13358	85.0
212.13664	3.6
217.07130	1.0
221.06660	2.4
223.13396	5.3
227.12840	6.1
228.13490	0.7
235.08218	7.5
245.06557	0.6
253.09277	1.7
256.13220	0.9
263.07629	0.7
275.20212	4.8
277.21747	23.9
278.22104	2.6
287.07806	2.6
293.21265	100.0
294.21585	8.5
305.08755	2.6
323.09756	1.1
341.23422	0.7
379.12494	6.6
397.13556	52.7
398.13943	3.2
415.14639	17.6
416.15109	0.7
487.34891	0.7
591.27441	1.0
607.25800	0.6
608.58661	0.6
609.27679	4.7
610.28143	0.8
673.34180	0.9
691.35986	1.3
864.76703	0.6
885.47070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	100.0
62.98421	0.6
62.99132	0.3
63.40919	0.2
63.99131	0.5
71.01260	5.0
71.01662	0.3
71.57537	0.5
72.99205	0.4
73.02827	0.8
74.74485	0.3
78.95790	0.5
79.95621	0.3
80.96384	1.3
83.01270	0.6
85.02828	1.2
87.00781	0.7
89.02321	4.4
94.98013	0.3
95.01302	0.3
97.02847	0.8
97.06491	0.3
101.02341	2.9
111.08022	0.3
113.02343	1.5
119.03402	0.7
125.02363	0.6
141.01839	0.2
143.03442	0.3
161.04468	0.6
163.11273	0.3
165.12726	1.3
179.05513	0.5
183.13841	9.6
184.14256	0.5
207.10149	0.3
209.11748	1.7
211.13380	0.4
221.06584	0.4
225.11325	0.6
227.12897	1.0
230.70210	0.3
235.08185	0.8
255.23285	0.3
262.44678	0.3
275.20724	0.2
277.21753	10.0
278.22116	0.8
293.21393	0.5
379.12360	0.5
397.13568	3.0
415.14581	0.7
533.96997	0.3
607.26147	0.4
625.26514	0.4
657.35406	0.3
699.02509	0.4
885.48395	17.6
886.48706	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	885.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	0.8
69.03317	1.8
69.26605	1.1
69.27007	4.7
70.47046	0.5
71.01258	27.1
72.99183	2.5
73.02818	4.2
75.00761	0.9
77.62466	0.5
80.02552	1.8
81.03328	2.4
82.07296	0.5
83.01271	2.4
83.04897	6.3
84.02034	0.6
85.02821	6.0
85.04115	0.5
87.00745	7.0
87.04359	0.5
89.02318	23.8
90.54379	0.5
90.85170	0.5
95.01273	2.3
95.04907	1.3
96.95911	0.6
97.02846	4.4
97.06443	0.6
99.00752	1.8
99.78626	0.5
101.02328	19.9
111.04403	1.3
113.02332	11.1
119.03397	5.4
121.02824	0.8
121.10146	0.5
125.02328	8.4
131.00714	0.6
131.03424	1.2
139.03883	0.9
143.03395	3.1
149.04503	0.6
161.04488	4.8
163.11232	4.4
165.12755	2.3
167.10736	0.6
167.14265	0.6
171.10201	0.7
179.05553	5.9
181.12248	0.9
183.13828	5.8
191.10733	0.8
193.12257	1.8
195.13812	5.9
199.06117	0.8
205.12253	0.7
207.10153	0.7
209.11772	100.0
210.12109	5.1
211.13335	67.1
212.13708	3.7
217.07153	1.7
221.06639	2.5
223.13377	4.3
227.12840	9.5
235.08209	7.1
236.08566	0.5
245.06418	0.6
250.33920	0.6
251.12762	0.6
253.09236	1.2
256.13239	1.0
259.02792	0.6
269.06702	0.6
271.02740	0.6
275.20126	6.5
277.21722	38.9
278.22037	3.1
287.07721	2.7
293.21222	82.6
294.21539	6.1
294.82202	0.6
299.02051	0.6
305.08746	2.9
323.09790	1.3
376.64267	0.5
379.12476	6.1
380.13101	0.5
397.13495	54.0
398.13724	3.4
415.14584	17.5
415.19153	0.4
416.15247	1.1
550.97192	0.6
591.27112	1.1
609.27570	3.3
673.34406	0.8
691.35205	1.1
739.32947	0.8
885.49316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	100.0
70.86992	0.5
71.01270	0.6
73.02777	0.1
78.95795	0.3
80.96375	0.8
87.00713	0.3
89.02328	0.3
90.77755	0.2
94.98006	0.2
97.16099	0.2
101.02343	0.3
122.67374	0.2
125.02349	0.2
137.40802	0.2
141.09787	0.2
164.98509	0.3
175.02496	0.2
183.13803	0.3
185.15677	0.2
191.49126	0.2
201.11319	0.2
207.10281	0.2
209.11847	0.7
211.13371	0.2
212.13802	0.3
225.00781	0.3
225.11319	0.3
227.12875	0.3
255.23285	0.2
277.21814	0.6
278.22079	0.3
293.21347	0.3
294.21527	0.2
332.58673	0.2
342.75983	0.2
365.72647	0.2
397.13693	0.7
398.13934	0.2
415.14627	0.2
531.89630	0.2
559.93341	0.2
623.97742	0.2
884.45325	0.9
885.47437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4858
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98709	45.2
69.03332	1.7
70.90057	1.6
70.90397	0.7
71.01259	26.2
72.99187	2.4
73.02831	4.1
74.92102	0.6
78.95815	0.8
78.98451	0.8
79.95631	4.5
80.96398	10.3
81.03331	1.4
82.99263	0.8
83.01266	2.6
83.04903	0.7
85.02827	5.0
87.00777	4.4
87.50452	0.7
89.02331	14.7
92.35133	0.6
94.97967	3.0
95.01253	2.2
97.02827	4.3
101.02332	16.8
109.06516	1.2
109.09042	0.7
111.04415	0.9
111.08057	1.0
113.02337	7.1
119.03400	3.0
121.02812	0.7
122.97535	0.9
125.02367	5.6
134.97528	1.1
143.03369	1.9
148.99037	1.3
152.98494	1.1
161.04498	2.2
164.98567	1.4
165.12779	6.5
179.05498	2.5
183.13850	65.9
184.14227	3.8
199.13339	1.5
207.10217	2.0
209.11786	6.9
210.12070	0.8
221.06607	3.0
225.00685	2.9
225.11349	1.8
227.12868	7.9
235.08215	3.0
255.23105	1.1
277.21753	36.0
278.22122	3.1
279.23117	1.1
293.21252	0.9
379.12241	1.8
397.13498	16.1
398.13724	1.5
415.14636	3.0
565.07733	0.9
607.26184	2.0
625.27112	2.8
864.69318	0.9
885.48370	100.0
886.48596	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	63.6
71.01248	32.0
72.99184	7.1
79.95612	24.1
80.96394	63.6
83.01298	6.1
85.02818	20.1
87.00757	17.4
89.02345	15.1
94.97976	10.1
97.02895	9.1
98.20568	15.6
101.02341	20.8
109.06517	19.6
113.02345	8.8
115.00266	10.6
126.90296	6.2
135.02785	6.5
145.31943	6.4
148.99080	7.0
164.98618	13.4
171.10161	37.6
171.24641	5.9
175.02330	7.0
179.05475	6.9
192.80222	6.5
195.46629	6.9
206.99754	7.9
207.10197	43.0
209.11790	11.3
211.13361	32.7
225.00700	16.5
225.11238	29.5
253.09335	28.1
277.21765	91.8
278.21951	11.3
279.23273	24.4
293.21313	13.1
295.22821	11.1
309.20718	28.0
327.21793	100.0
331.77338	6.7
397.13489	14.1
399.05884	7.9
563.30627	10.2
575.70935	7.7
883.45233	93.9
884.47009	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	2.7
69.03333	1.6
71.01254	25.5
71.58616	2.3
72.99183	2.5
73.02831	4.4
75.00765	2.6
78.95750	2.0
80.96397	1.6
81.03351	3.1
83.04899	2.5
85.02814	6.5
87.00764	5.8
89.02316	17.5
90.46612	1.2
95.01240	3.1
95.04934	3.8
96.95887	2.4
97.02826	10.0
99.00754	3.5
101.02332	15.4
109.06481	19.7
112.39080	1.2
113.02324	8.5
119.03409	4.9
121.02883	1.5
121.06478	1.9
125.02335	5.4
131.03439	1.4
135.08060	2.1
143.03412	3.3
143.10487	1.4
154.24300	1.4
161.04486	3.8
163.11220	15.3
171.10188	1.6
179.05565	6.0
179.10725	3.1
181.12227	3.0
189.09200	3.7
197.11838	1.5
207.10202	63.3
208.10529	2.2
209.11786	5.6
211.13354	5.0
221.06679	3.1
225.11284	100.0
226.11646	2.9
235.08315	7.0
253.09305	2.2
277.21735	41.2
278.22049	3.0
299.15131	2.0
300.26852	1.4
300.35904	1.3
301.85492	1.2
309.20630	2.7
379.12613	3.9
397.13486	28.1
415.14703	7.8
605.24628	9.9
623.25513	17.1
624.25513	1.8
883.46777	35.8
884.46576	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	883.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	14.6
64.85948	2.8
69.28868	7.8
69.29286	28.8
71.01261	60.3
72.99195	18.5
73.02811	7.0
75.00759	38.1
75.15692	3.3
78.95748	3.5
79.85341	3.0
83.01260	7.7
85.02837	39.4
87.00764	19.2
88.98697	4.0
89.02326	17.9
95.01290	5.0
95.16504	3.3
98.20609	5.2
99.00745	17.3
101.02337	17.3
101.02931	2.8
111.00762	5.5
113.02341	36.4
115.00301	5.4
117.01810	4.5
119.03432	3.9
120.01160	7.5
131.03427	5.6
165.05537	5.0
167.03548	3.5
171.10158	3.6
174.01624	4.2
175.02449	4.2
175.03964	4.1
181.08427	3.4
183.13867	3.9
209.11804	11.2
211.13441	5.6
215.15111	3.5
277.21613	6.8
295.22867	6.4
298.04639	3.5
337.11655	4.4
457.28085	10.4
528.90509	3.4
707.34937	64.9
708.35504	10.4
717.76318	3.7
735.55707	3.7
811.65582	3.6
865.36664	5.5
883.38196	100.0
884.38287	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	883.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01758	1.8
69.03330	1.8
70.62344	0.9
71.01262	9.8
73.02815	1.8
75.00747	1.8
81.03325	2.4
81.06013	0.9
83.01261	1.6
85.02834	4.2
87.00773	5.7
88.98666	2.3
89.02313	4.3
93.03337	24.6
96.95892	12.3
98.19810	3.1
99.00766	1.9
101.02310	1.4
103.00245	1.7
108.02058	1.5
109.02853	1.9
111.04399	4.4
113.02338	2.5
115.00199	1.2
116.70166	0.9
117.03371	5.9
119.04926	100.0
120.05231	2.8
121.02846	2.3
125.02312	1.4
126.37291	1.0
127.03886	1.8
129.85159	1.0
131.03395	1.1
134.03622	2.9
136.01576	1.8
137.02351	6.7
139.90742	0.9
145.02867	29.8
149.02336	2.3
150.03110	3.7
151.00285	3.4
151.03891	2.7
152.00938	1.2
153.01775	1.2
155.03415	3.8
160.01590	1.9
163.03931	57.0
164.04433	2.0
165.01855	2.2
165.05470	2.4
173.04478	33.1
175.03923	2.4
176.04446	1.0
179.03360	1.6
180.04112	1.1
181.04955	0.9
182.02180	1.0
189.94629	1.1
191.05544	11.8
192.64130	1.0
193.04968	3.3
193.90640	1.1
195.06490	3.2
197.04472	2.4
201.11263	1.3
205.05145	2.1
209.11798	2.2
225.07648	1.5
229.93427	1.0
233.06689	7.3
265.07037	1.0
271.02527	2.1
300.02805	2.6
301.03503	2.7
302.03735	2.0
303.04019	1.6
315.14667	4.6
319.08228	48.8
320.08591	3.1
329.16092	1.2
337.09338	2.8
379.10565	2.0
447.09457	2.4
463.08499	1.2
464.08896	1.1
465.09097	1.5
472.16000	1.1
504.84091	1.2
605.22107	1.3
623.23364	12.2
624.24078	1.6
667.43854	1.1
779.27484	3.4
797.28491	4.7
839.29950	31.0
840.30402	6.3
883.38300	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	883.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00192	1.5
69.11603	0.6
69.48882	2.5
69.49306	3.2
72.19140	0.7
107.01286	2.3
108.19867	0.7
109.02825	1.4
109.99995	4.2
111.00761	3.5
121.02823	1.8
123.00772	1.5
124.01556	0.7
125.02319	1.2
136.98698	1.7
137.99489	1.7
139.00287	6.4
142.07111	0.6
148.01550	0.9
149.73915	0.7
151.00282	7.8
152.01083	1.5
163.00276	2.1
164.01027	1.7
165.99004	7.7
166.99802	3.2
169.01358	0.8
174.01588	0.7
174.03171	1.5
176.05920	0.6
178.99783	9.1
183.80844	0.8
186.91095	0.8
188.04692	0.7
194.99294	0.9
199.03961	1.9
201.01849	0.9
203.03409	1.0
206.99286	0.8
207.99908	0.8
211.03819	0.8
214.02634	0.7
227.03416	3.3
231.02971	1.7
238.99806	0.7
242.02193	1.8
243.03004	6.8
244.03566	1.7
245.04643	1.0
254.02138	1.1
255.02942	10.2
259.02542	1.2
260.02924	0.8
270.01550	4.1
271.02487	31.3
272.02884	2.7
273.04053	1.3
287.01965	13.6
288.02588	2.3
298.01294	1.2
299.01962	12.5
300.02750	32.1
301.03513	27.0
301.06946	1.3
315.01364	1.0
316.02249	46.4
317.03003	50.1
318.03430	3.1
399.51599	0.8
433.07785	43.8
434.08072	4.7
447.05396	1.3
448.06244	2.0
449.07266	100.0
450.07651	8.9
692.72601	0.8
875.97095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	1.5
69.40090	0.8
69.43578	7.5
95.01291	1.0
96.81608	0.8
98.20576	1.7
105.42352	0.8
107.01295	1.5
109.02857	1.6
110.00011	4.0
111.00768	1.6
123.00762	1.2
124.60848	0.8
127.81064	0.7
137.99506	1.9
139.00269	8.0
151.00258	5.4
152.01035	1.0
155.10677	1.2
163.00243	1.6
164.00964	0.9
165.99026	6.2
166.99757	3.2
174.03175	0.8
178.99779	7.0
191.05420	0.9
194.99310	1.7
198.03148	0.8
199.03999	1.6
215.03419	1.0
226.02666	1.2
227.03465	2.6
231.02904	1.0
242.02229	3.3
243.02953	7.3
244.03960	1.0
245.04448	1.0
255.02962	6.6
259.02341	2.0
262.04611	0.9
270.01715	3.2
271.02484	34.6
272.02972	3.2
273.03891	1.0
287.02002	15.2
288.02710	2.6
299.01987	14.7
300.02728	24.8
301.03482	13.2
302.03909	0.9
316.02249	35.6
317.02960	24.3
318.03406	1.7
433.07770	35.6
433.13757	1.8
434.07986	4.0
448.06210	2.9
449.07266	100.0
450.07568	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	881.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	1.7
71.01254	30.1
71.21747	1.8
72.99191	6.4
73.02814	4.4
75.00764	1.5
81.03352	2.5
83.01257	4.8
83.04910	3.5
85.02828	5.1
87.00758	9.7
89.02310	19.0
89.95580	1.1
95.01276	1.9
97.02843	3.7
99.00765	4.4
101.02329	16.6
102.40652	1.2
111.00767	2.3
112.98701	7.8
113.02349	8.7
115.00258	6.1
119.03400	4.4
125.02335	7.4
125.09607	3.1
127.11185	2.1
130.03818	1.3
142.99767	9.9
143.03397	2.8
152.99474	2.5
161.04491	5.6
163.11206	2.9
165.12854	1.5
173.00824	3.0
174.01634	9.9
174.15030	1.6
175.02399	10.9
179.05537	3.9
201.11273	70.5
202.11580	3.2
209.11778	100.0
210.12137	4.8
211.13351	23.5
227.12860	11.2
235.08217	7.3
253.09351	4.0
255.23282	69.1
255.99989	1.2
256.23618	5.5
263.12839	2.3
277.18933	2.4
277.21735	34.7
278.22034	3.3
287.07864	2.0
305.08725	4.1
323.09848	2.2
379.12421	8.5
397.13498	63.9
398.13800	4.2
415.14612	11.7
447.22385	1.7
581.24615	2.4
607.26355	1.7
653.37646	4.6
759.43298	1.7
763.42096	1.7
803.42242	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	881.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	2.9
69.03320	4.0
71.01258	20.9
71.04880	0.7
72.01588	0.5
72.99196	2.3
73.02825	2.6
73.61953	0.7
75.00756	0.6
78.95785	1.5
80.96399	3.7
81.03310	0.8
83.01247	2.4
83.04919	0.9
85.02832	4.5
85.06471	0.7
87.00750	4.8
89.02323	17.8
94.97983	0.5
95.01268	1.9
97.02845	3.0
98.19856	1.8
99.00769	1.6
101.02325	15.5
109.02850	0.8
111.04422	0.8
113.02334	9.4
119.03421	4.7
125.02334	7.5
131.03403	1.1
133.02872	0.6
139.03900	0.7
143.03355	2.8
148.99033	0.7
149.09668	0.6
152.99541	1.2
161.04495	3.8
164.98557	1.2
167.03465	0.7
167.10698	3.8
171.10217	2.7
172.10617	0.7
177.12787	0.9
179.03441	0.5
179.03978	0.6
179.05531	5.6
179.10706	1.6
179.14345	3.5
182.59296	0.6
184.62207	0.6
195.13843	9.8
196.14247	0.8
205.12262	9.7
209.11693	1.2
211.13391	3.4
217.07112	0.7
221.06602	2.7
223.13358	100.0
224.13695	5.7
225.00674	1.4
225.11229	0.7
229.42830	0.6
235.08170	5.8
253.09148	1.4
255.23235	2.2
265.14340	0.8
277.21732	53.1
278.22058	3.2
287.07739	1.8
293.21277	2.1
299.85538	0.6
305.08728	1.8
309.20575	0.8
323.09702	1.5
379.12445	5.7
397.13504	42.9
398.13739	2.6
415.14554	11.1
416.15015	0.8
439.17529	1.1
603.26495	5.4
604.26654	0.9
621.27667	7.2
622.27850	1.0
675.38440	2.6
785.92676	0.6
881.50024	5.5
882.50024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	30.9
71.37733	3.6
72.99200	11.1
73.02811	6.0
83.01264	4.9
83.04898	3.1
85.02837	4.6
87.00766	15.0
89.02329	14.9
97.02828	3.6
98.28717	1.6
99.00749	11.1
100.36475	1.6
101.02355	11.8
109.23964	1.5
111.00751	4.0
112.98695	23.2
113.02342	8.4
113.99493	2.4
115.00266	15.8
119.03370	5.1
124.98647	3.9
125.02338	5.7
125.09611	2.6
142.99770	32.5
145.01328	3.5
152.99432	5.0
156.00577	2.0
161.04472	4.6
163.11227	1.9
171.10188	2.8
173.00839	7.9
174.00192	2.6
174.01649	35.0
175.02385	29.2
179.05505	4.6
183.13741	2.9
201.11288	42.3
209.11797	58.8
210.12207	2.5
211.13353	59.3
212.13678	3.2
223.13348	2.5
227.12849	7.9
233.11711	2.0
235.08145	11.1
237.11272	1.9
253.09322	15.1
255.23299	48.7
256.23776	1.5
263.12836	5.6
265.56711	1.7
277.21756	100.0
278.22037	6.9
287.07608	3.1
291.19556	3.2
293.21222	10.5
309.20908	9.0
362.70135	1.8
379.12415	6.2
397.13544	33.9
415.14606	8.3
447.22388	2.0
583.15906	1.9
653.37616	2.0
707.43219	1.9
763.42688	5.1
803.41937	5.9
822.42517	2.1
881.44794	2.0
889.74945	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36468	1.8
69.36856	10.8
71.01258	19.7
72.99177	12.3
73.02827	2.0
78.95792	2.3
83.01289	3.1
83.04893	2.0
85.02831	4.0
87.00738	12.2
89.02332	5.6
99.00758	9.5
99.04408	1.4
101.02330	4.4
111.00751	2.7
112.98692	25.4
113.02333	4.3
115.00265	19.8
119.03423	1.5
124.98711	3.1
125.02318	2.8
129.01828	1.5
142.99763	32.0
145.01315	2.2
152.99518	2.0
154.99792	1.9
156.00633	1.5
161.04433	3.7
171.10153	1.4
173.00836	12.0
174.01624	45.6
174.03146	2.3
175.02399	27.0
175.03922	1.5
183.13843	5.8
201.11258	14.8
209.11787	19.0
211.13344	100.0
212.13591	6.1
221.11774	1.5
223.13365	5.1
225.14983	1.9
227.12788	2.5
235.08209	3.1
237.11345	2.1
237.14909	3.5
239.12776	1.6
251.13054	1.6
253.09218	9.4
255.23300	12.1
256.23444	1.5
263.12833	5.6
277.21738	74.7
278.22110	7.0
291.19571	1.5
328.14957	1.2
397.13638	8.6
415.14609	1.4
428.41586	1.3
429.20920	1.2
447.22299	9.8
707.44238	1.4
723.63568	1.4
763.43011	5.4
777.43927	2.2
803.41901	4.5
821.43365	1.5
851.43884	3.2
863.44025	1.8
881.45074	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	2.4
66.94958	1.0
67.01779	1.4
68.99689	1.3
71.00895	1.7
71.01260	21.1
72.99191	11.7
73.02818	3.2
75.00729	2.0
78.95762	2.6
83.01267	3.7
83.04923	2.2
85.02820	3.8
87.00765	12.7
89.02336	5.0
89.22427	1.1
99.00759	10.1
101.02339	7.3
111.00758	4.6
112.98702	26.3
113.02319	4.3
115.00270	17.0
119.03448	1.5
121.02853	2.8
124.98701	5.1
125.02369	2.1
129.01823	1.7
140.73972	1.0
142.99791	31.2
145.01343	2.3
151.03975	1.2
152.99493	2.0
154.99742	2.1
156.00562	2.8
161.04448	2.5
163.11226	1.2
165.12729	1.1
171.10196	1.0
173.00844	11.7
174.01631	39.9
174.03140	1.9
175.00967	1.7
175.02425	27.5
179.05614	1.1
183.13826	4.0
193.12207	2.2
201.11301	12.6
205.12329	1.8
207.13791	1.2
209.11826	17.3
211.13361	100.0
212.13748	1.9
221.11789	1.3
223.13408	5.7
224.98601	1.1
225.14821	1.6
227.12804	1.7
229.82161	1.3
233.11665	1.5
235.08195	4.0
237.11487	1.5
237.14841	2.8
239.12817	2.1
251.12737	1.6
253.09340	8.6
255.23331	10.1
263.12903	7.5
277.21747	81.6
278.22049	4.2
291.19714	2.5
293.21124	2.1
293.51724	1.0
323.09433	1.2
327.12415	1.4
379.12415	2.3
397.13629	8.9
415.14371	1.6
429.21304	2.3
447.22391	8.6
484.30905	1.2
499.21805	1.3
513.30542	1.6
580.30133	1.2
745.41693	3.2
763.42737	6.8
764.43530	1.6
777.44244	2.6
781.43414	1.8
793.41736	1.2
803.41760	5.8
821.43243	2.5
851.44666	4.7
881.44275	5.9
882.43402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	3.1
69.66285	4.7
69.66694	1.9
71.01260	12.8
72.99185	4.1
73.02818	3.2
74.53502	0.9
75.00751	6.5
81.03333	2.4
83.01263	2.3
83.04893	5.5
84.02039	1.5
85.02839	8.2
87.00757	6.9
89.02311	6.8
92.04913	1.2
93.03402	1.4
95.04914	1.3
96.95912	2.9
97.02802	1.2
99.00751	2.9
101.02346	8.5
109.02803	1.0
109.06483	1.4
111.04441	1.6
113.02332	7.2
115.00237	1.9
119.03375	1.4
119.04931	2.0
125.02341	0.9
125.09606	1.4
129.01801	1.9
131.03459	1.3
134.03558	2.1
135.02937	2.1
137.02344	1.4
143.03354	1.7
149.04373	1.1
150.03096	1.9
161.04491	1.3
163.11208	4.4
165.01871	2.0
165.12788	2.7
167.14317	1.6
171.10252	2.7
173.04387	1.1
175.02406	3.3
179.03375	1.3
180.04132	1.3
181.08525	1.0
183.13812	4.2
191.05505	1.5
191.10774	1.3
193.12320	1.8
195.06612	1.7
209.11777	100.0
210.12173	4.7
211.13339	47.6
212.13663	1.5
213.14923	10.3
223.13293	4.3
227.12830	14.0
235.08209	4.1
235.13443	2.9
241.11926	1.4
241.14429	23.8
242.14748	1.8
251.12865	4.3
253.09285	9.2
253.14415	4.1
259.13327	3.3
263.12839	2.6
271.02454	2.3
277.14444	1.5
297.04120	2.1
299.02075	2.9
300.02670	2.1
320.89371	1.0
415.24734	1.9
445.20746	5.2
447.22531	4.9
459.22595	1.3
463.21317	2.2
477.23492	4.1
513.23907	1.2
552.30902	1.1
621.32526	1.5
639.33679	4.0
651.33661	10.2
652.34198	1.8
657.35419	1.3
669.35028	13.2
670.35431	1.8
679.34149	1.3
687.35803	4.1
688.36407	1.3
697.34814	1.6
699.35980	2.7
705.33124	8.3
709.33795	2.2
715.35303	2.0
723.36383	1.4
735.19397	2.0
819.39825	2.4
840.04419	1.6
881.36139	12.3
882.36407	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	881.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02276	0.5
65.00193	1.7
69.50052	2.9
79.11276	0.3
83.01250	0.9
83.95686	0.4
85.97298	0.4
93.03335	0.5
98.19822	0.9
107.01267	3.2
108.02063	1.2
109.02826	1.8
121.02860	2.8
122.03163	0.4
124.01435	0.4
125.02351	0.4
134.03729	0.5
135.00758	0.6
148.01614	1.3
149.02280	0.5
151.00282	13.4
159.04480	0.6
163.00319	3.2
169.01309	1.2
175.03961	0.7
178.98232	0.5
178.99799	7.8
183.04492	0.8
184.40669	0.5
187.03940	1.1
192.00510	0.7
199.03903	0.5
201.05521	0.7
202.02411	0.5
211.03923	1.8
226.02696	0.9
227.03587	2.7
229.05026	1.3
239.03412	0.6
243.02948	7.6
245.04445	1.9
254.02217	1.5
255.02988	22.3
256.03351	1.2
271.02493	42.7
272.03015	3.1
273.04016	1.4
283.02509	1.9
284.03110	0.9
299.02164	2.0
300.02765	100.0
301.03522	87.0
302.03891	5.5
315.01419	0.6
431.06339	0.7
433.07761	75.7
434.08093	6.2
447.09378	59.1
448.09778	5.7
532.73621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.513
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70734	19.1
71.01263	31.6
80.96399	6.4
85.02827	4.5
87.00762	3.5
89.02323	8.3
101.02323	9.3
109.06538	2.4
113.02351	7.4
119.03422	4.8
122.97605	2.7
123.25436	2.5
125.09586	3.5
142.27000	3.3
143.03366	3.7
146.67963	2.6
161.04398	3.2
163.11159	4.9
171.10156	17.0
185.11819	3.3
195.13852	8.8
201.11241	5.3
207.10266	3.6
209.11783	10.3
209.20990	2.5
223.13377	4.8
225.11345	8.4
235.08199	4.0
245.19075	8.8
253.09280	21.8
255.23206	17.8
256.23654	3.7
263.19983	3.8
275.20163	8.3
283.15121	2.9
289.18143	38.9
291.19757	5.9
293.21228	100.0
293.24490	5.6
294.21579	7.7
307.19122	41.3
308.19403	4.2
379.12387	4.9
397.13458	13.6
409.66394	2.6
566.92249	2.6
753.75024	2.9
879.47681	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	881.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67024	0.6
65.00188	1.0
69.39948	5.1
69.40357	0.7
83.01260	0.9
85.02840	0.6
89.36303	0.6
93.03333	0.5
98.19804	1.1
107.01276	1.3
108.02064	0.8
109.78645	0.5
113.02318	0.6
121.02859	1.3
135.00778	0.8
151.00285	5.3
163.00270	1.1
178.99786	1.9
187.03900	0.8
211.03906	0.7
226.02689	1.1
227.03505	4.8
229.05009	0.5
243.03006	7.7
254.02298	1.3
255.02992	21.6
256.03424	1.3
269.00955	2.0
271.02490	37.5
272.02875	3.1
283.02481	0.8
284.03284	4.6
285.04016	1.5
286.01257	0.9
287.01926	1.9
297.00513	3.3
298.00961	0.8
299.02020	1.4
300.02774	80.9
301.03455	23.0
302.03989	1.2
315.01486	1.8
316.01990	0.7
433.07767	100.0
434.08078	8.8
447.05106	3.0
447.09470	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	879.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	1.3
70.36303	2.7
71.00890	1.2
71.01260	16.9
71.04904	3.4
72.99171	1.5
73.02827	2.8
74.85228	0.6
83.01266	2.0
85.02828	4.4
87.00753	3.1
89.02326	9.7
93.94338	0.8
95.01263	1.2
95.04922	1.3
97.02831	5.1
97.06496	3.6
99.00163	1.5
99.00764	16.0
101.02332	8.3
109.06464	1.5
110.03615	0.7
111.04421	0.8
113.02336	3.4
119.03384	2.1
123.08016	2.2
125.02355	2.9
125.09621	8.0
135.08084	1.2
142.02670	1.3
143.03426	1.2
150.03178	0.7
153.12804	0.8
161.04477	1.4
161.09689	1.0
163.09862	0.9
163.11185	10.4
171.10225	4.3
179.05571	1.1
181.12283	13.4
197.11705	1.2
199.13368	7.0
201.11331	1.0
207.10216	21.8
208.10501	1.7
221.06610	0.8
225.11305	30.0
226.11737	0.7
226.64435	0.7
235.08257	1.3
243.12396	10.8
255.23286	40.0
256.23651	2.3
300.19110	0.7
397.13467	7.3
415.14639	2.1
623.25702	1.6
641.26538	1.6
698.18799	0.8
861.48102	1.9
879.49658	100.0
880.50049	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	879.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	1.4
68.72502	0.9
69.03338	2.1
71.01254	20.6
71.04887	4.2
71.49409	1.1
71.49744	1.8
72.99174	2.0
73.02824	3.1
75.65146	0.9
81.00987	1.0
81.03337	1.7
83.01241	2.1
85.02821	3.5
87.00767	4.7
89.02329	14.7
95.01275	1.7
95.04931	1.7
96.95902	1.1
97.02849	6.9
97.06462	2.7
98.04816	0.9
99.00748	15.5
101.02319	14.8
109.06475	1.5
110.03656	1.0
111.04379	0.9
111.08017	1.3
113.02333	5.7
119.03378	3.7
123.08047	2.0
125.02341	3.6
125.09628	6.8
143.03409	1.4
153.11440	1.0
153.12645	1.0
161.04437	2.7
163.11217	9.1
171.10167	5.6
179.05531	1.8
179.10716	1.3
181.12276	12.5
197.11790	1.8
199.13354	9.9
201.11157	1.6
207.10201	28.0
211.07581	1.3
221.06612	3.1
225.11301	48.5
235.08125	2.1
243.12398	9.3
253.09302	2.2
255.23296	61.9
256.23651	3.5
289.18021	2.2
291.19681	7.3
293.21185	1.8
303.03653	1.1
309.20737	3.1
335.78586	1.3
379.12430	1.8
397.13489	12.4
415.14636	1.8
422.37842	1.1
556.39252	1.0
605.24640	2.0
623.25458	2.9
844.57153	1.2
861.48517	15.2
862.48560	2.5
879.49707	100.0
880.49945	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	879.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87575	2.8
62.81421	1.9
64.24033	2.1
69.03313	2.8
71.01257	32.8
71.01624	3.8
71.04891	3.1
71.58611	3.6
72.99186	4.2
73.02821	4.3
79.83371	2.6
80.96407	4.1
83.01284	3.6
85.02828	7.4
87.00772	4.9
89.02330	17.8
89.22871	2.1
95.01247	3.1
97.02828	4.8
97.06479	3.2
99.00752	12.7
101.02314	15.3
109.02861	1.9
109.06469	2.8
113.02312	8.2
119.03439	3.1
125.02320	6.1
125.09595	4.9
127.11179	2.4
133.01524	2.4
136.05269	2.5
150.04144	4.2
161.04422	4.3
162.29536	2.3
163.11188	8.5
169.12215	2.0
171.10181	18.0
172.10513	2.7
179.05534	4.1
181.12273	6.8
197.11830	12.3
198.12259	2.5
199.09608	5.1
199.13332	7.1
201.11282	10.2
207.10225	21.1
209.11792	4.8
215.12779	4.2
221.06624	2.6
225.11288	26.4
235.08148	2.6
243.12300	8.8
253.09334	2.8
255.23288	70.3
256.23569	10.4
291.19586	4.3
293.21286	3.7
307.19235	2.8
309.20810	3.0
379.12418	4.4
381.48599	2.7
397.13583	24.9
415.14514	5.4
623.26135	3.0
861.49463	6.0
879.49274	100.0
880.49512	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	879.367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98687	1.1
69.03330	1.7
71.01256	38.9
71.57791	1.3
72.99200	5.4
73.02830	11.4
75.00750	19.4
76.95145	1.0
80.04915	1.0
81.03336	2.2
83.01264	4.3
85.02828	32.0
87.00739	5.8
88.98693	5.4
89.02327	12.3
93.03322	2.7
95.01247	3.3
96.95877	2.6
97.02814	1.2
99.00765	9.1
99.04476	1.3
101.02332	12.7
103.03896	3.5
106.06514	1.3
109.02848	3.0
112.01578	1.1
113.02333	24.7
115.00245	2.8
117.01860	1.1
119.03400	3.7
119.04907	1.6
121.02842	2.5
121.10139	4.3
122.03619	3.0
123.04427	1.2
123.08025	1.2
125.02343	3.2
127.03929	1.2
129.01859	1.7
131.03427	1.8
132.02097	1.3
134.03654	1.2
135.04381	1.3
137.02364	1.7
139.11122	1.1
143.03419	1.3
145.04971	2.0
149.02373	6.8
150.03136	15.3
150.05530	2.0
151.00261	1.9
151.03943	2.1
153.01837	1.1
160.01544	2.0
160.03967	2.2
160.05170	1.5
161.02336	4.1
161.04420	6.2
163.03911	1.7
163.06024	1.8
164.04706	3.2
165.01840	1.4
165.05492	15.1
165.09160	2.6
173.04541	2.3
173.06206	1.2
174.01624	1.6
175.02448	1.9
175.03918	5.2
175.07562	1.8
176.04709	2.4
177.05452	1.1
178.99762	2.7
179.03406	6.3
180.04198	1.6
191.07072	1.3
193.05022	2.1
193.08392	1.0
194.05840	4.6
195.06612	7.3
196.06775	1.0
209.08098	3.2
241.09764	1.5
253.09790	1.9
277.09698	1.0
289.07123	1.5
295.10864	2.4
300.02692	2.0
309.08609	1.2
311.14981	3.3
313.11853	2.1
315.14590	6.5
329.16147	43.4
330.16449	2.0
337.09360	1.2
342.11023	1.4
356.86417	1.2
357.13385	3.1
359.14929	1.1
366.79550	1.0
371.16922	1.3
387.14532	1.5
405.15521	1.7
425.18143	2.3
473.20160	3.9
491.21353	100.0
492.21735	12.1
581.93243	1.1
657.27283	2.0
687.27472	1.8
879.29120	11.9
880.28656	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02291	1.3
65.00198	1.9
69.79081	8.3
71.01264	15.2
72.99190	1.2
73.02824	7.3
83.01275	3.1
85.02823	5.2
89.02333	6.8
93.03327	3.7
95.01247	1.6
96.95879	2.2
98.20487	1.6
99.00757	15.6
101.02347	8.7
107.01258	4.8
108.02122	1.8
109.02795	4.1
110.62678	1.1
113.02310	7.2
119.04908	1.8
121.02849	9.4
122.03632	9.1
123.04421	1.8
124.01547	2.4
125.02344	2.9
132.02071	2.7
133.02831	1.9
134.03613	2.9
135.04388	2.7
136.01538	4.7
137.02322	4.1
137.06061	1.3
143.03384	1.9
145.02844	4.1
146.03545	1.5
147.04427	6.0
149.02364	12.5
149.06075	1.8
150.03137	85.5
151.00296	15.6
151.03946	8.3
160.03923	2.7
161.02325	3.2
161.04462	3.3
162.03065	4.4
163.00304	2.5
163.03894	5.3
164.04671	1.4
165.01849	2.8
165.05487	100.0
166.05797	4.6
169.01306	2.3
174.03134	2.6
175.02454	2.0
175.03897	11.2
176.04680	1.7
177.05504	4.9
178.99789	9.6
179.03398	1.7
180.04214	10.1
186.03101	1.5
189.05486	4.7
190.06316	12.4
191.05501	3.0
191.07054	9.8
193.04987	5.7
194.05714	5.1
195.06572	21.7
196.06911	1.6
199.03934	2.4
203.03328	1.5
205.08667	10.0
207.06619	3.9
208.07289	4.4
214.02608	1.7
227.03470	3.0
241.01387	5.5
242.02223	3.2
243.02905	5.6
245.00868	3.2
250.11708	1.4
255.02979	13.9
256.03217	1.4
270.01697	7.2
271.02478	28.5
272.02795	2.9
285.03934	3.9
293.08707	2.4
298.01047	3.1
299.02008	17.3
299.05438	2.5
300.02728	50.0
301.03506	54.7
302.03848	5.5
316.02267	1.6
344.12756	2.1
345.13544	2.4
359.14923	23.7
360.15305	2.4
417.08453	1.9
431.05997	3.7
433.07620	2.2
445.07803	1.6
447.09296	5.4
461.07129	7.6
462.07166	2.2
463.08859	70.7
464.09244	9.7
489.16135	89.7
490.16425	6.4
537.21240	8.6
585.23199	18.6
586.23438	1.9
673.14343	4.0
835.19690	5.7
879.32861	27.8
880.32788	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48872	0.8
69.01900	0.9
71.01251	16.4
71.57639	1.9
71.58037	1.5
72.99181	1.3
73.02825	6.0
76.96359	0.8
78.76582	1.0
83.01259	2.7
85.02850	4.6
89.02310	5.1
93.03345	5.0
96.95860	1.1
99.00754	18.0
101.02329	9.3
108.02028	1.4
109.02861	1.9
113.02324	6.3
121.02840	10.0
122.03641	12.4
123.04430	1.9
125.02327	3.3
131.03416	1.0
132.02077	5.0
133.02779	1.3
134.03627	1.8
136.01561	6.9
137.02322	3.1
143.03406	1.5
145.02863	3.1
147.04434	6.8
149.02341	12.9
149.05998	1.5
150.03131	83.8
151.00302	3.2
151.03918	10.3
153.01814	1.3
159.04260	1.0
161.02356	2.6
161.04457	3.6
161.05898	0.9
162.03188	4.6
163.00343	1.0
163.03937	4.9
164.04655	1.9
165.05484	100.0
166.05804	5.1
167.03445	1.4
167.53381	0.9
174.03104	1.4
175.02487	1.3
175.03914	11.7
176.04700	2.7
177.05484	3.8
178.99780	1.2
179.03412	2.3
179.07042	1.8
180.04185	9.1
188.04771	2.2
189.05565	5.0
190.06282	12.8
191.05502	3.0
191.07051	9.7
192.07338	1.4
193.04938	6.3
194.05740	4.7
195.06544	22.3
203.07094	1.2
205.08629	8.2
207.06612	2.7
208.07303	5.0
223.94701	1.0
241.01315	1.7
255.02937	3.5
270.01663	3.3
271.02328	5.0
272.03040	1.4
285.04001	2.4
293.08643	1.7
298.01318	1.3
299.01935	2.3
300.02792	10.4
301.03409	7.0
302.03540	1.4
327.11081	1.2
328.09222	1.4
344.12778	1.0
345.13354	1.4
357.13300	1.1
359.15030	19.0
360.15097	1.3
375.14127	1.1
417.08005	1.5
430.43536	1.2
431.06219	4.0
433.07477	1.2
445.07968	1.7
447.09357	5.1
448.09412	2.4
449.10809	1.0
463.08633	4.5
464.08774	1.3
489.16138	63.4
490.16431	8.6
491.16702	2.8
507.20126	1.3
537.21161	5.6
585.23364	12.0
586.23309	2.3
615.94226	1.0
849.31244	1.3
879.32928	19.6
880.33069	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	879.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48906	1.4
65.00227	2.0
69.33958	15.1
69.86408	1.3
71.01252	38.9
72.99185	3.1
73.02823	11.9
75.00735	2.0
83.01269	6.1
85.02813	20.2
87.00759	2.9
89.02304	5.4
91.20734	1.4
95.01270	4.4
96.95948	2.0
97.02879	1.9
99.00780	7.7
101.02330	21.3
107.01300	2.2
113.02332	15.8
115.00300	3.8
117.03357	2.3
125.02381	2.3
133.02940	2.0
133.09186	1.7
136.01572	1.9
150.03174	4.3
151.00278	4.3
151.03938	2.2
159.02911	3.1
161.02318	1.7
161.04480	10.4
163.03995	1.6
164.04813	1.5
165.05528	2.1
166.02655	1.9
174.01636	3.8
175.02386	6.4
175.03836	2.1
183.04407	1.6
193.05002	1.6
195.06584	1.6
211.03918	2.7
227.03511	4.4
255.02991	47.8
256.03467	3.3
271.02527	4.0
283.02490	100.0
284.03226	30.2
285.03586	2.8
298.04587	3.3
299.02228	2.9
299.05609	40.7
300.02774	3.6
300.05942	3.0
301.03400	4.3
331.17621	30.6
332.17847	2.1
343.17664	1.9
373.18805	9.5
377.63849	1.5
446.08475	9.1
447.09518	2.4
461.10919	98.8
462.11404	10.2
574.06671	1.6
879.29120	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	879.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26070	1.2
64.23895	1.3
64.25397	1.2
67.01740	1.9
68.99694	1.4
71.01261	20.1
72.99188	6.6
73.02856	1.5
75.00748	16.2
80.24041	1.3
85.02828	23.8
87.00778	6.5
89.02319	6.2
95.01286	5.8
99.00765	9.5
101.02351	3.0
103.00232	2.0
111.00762	2.0
113.02340	27.1
115.00258	1.9
117.01837	1.8
117.03398	3.0
119.03432	1.3
121.01956	2.2
121.02851	33.4
127.03987	1.3
129.01852	1.8
134.03645	25.9
149.06018	3.5
160.01561	4.3
161.02350	1.5
173.04482	1.8
175.02423	2.9
175.03937	3.9
193.04997	17.2
199.08749	1.4
204.20206	1.3
207.05258	1.4
231.05133	2.7
249.06143	32.3
250.06630	1.5
267.07178	32.0
331.17654	5.3
349.18756	3.6
371.09866	63.1
372.10114	5.5
380.09024	1.5
391.19699	5.4
443.11929	100.0
444.12247	9.4
507.20898	23.0
508.21249	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05077	1.3
65.00208	2.4
69.55449	8.5
69.55859	2.1
71.01268	5.2
72.23730	1.3
73.02850	2.0
73.50021	1.6
83.01257	2.2
85.02827	4.3
89.02311	1.9
96.95909	1.7
99.00784	2.5
100.00195	1.4
100.57057	1.3
101.02337	2.8
102.24187	1.4
107.01262	3.1
108.02049	2.0
109.02883	2.9
113.02328	2.4
118.59917	1.4
119.04939	2.5
121.02869	2.6
123.01643	1.5
134.03638	1.4
137.02354	2.5
143.93520	1.5
149.14278	1.3
150.03165	5.2
151.00290	14.0
153.01817	2.3
160.01591	3.4
160.03960	2.9
163.00305	1.8
164.01074	1.5
165.01855	4.7
165.05493	5.2
166.02621	1.8
171.04449	1.5
175.07487	1.4
178.99731	6.4
180.04236	2.0
187.03877	1.8
195.06581	6.5
199.03894	2.2
227.03423	11.4
228.03740	1.9
229.04880	2.1
239.12883	4.8
240.13120	1.7
242.02116	1.8
243.02928	10.5
245.04015	1.6
255.03004	24.0
256.03384	3.7
257.04440	3.2
270.01791	2.9
271.02478	33.6
272.02997	5.4
273.03452	2.0
283.02466	2.1
283.11966	7.6
284.03250	12.2
284.12189	2.9
285.03998	18.2
286.04398	3.9
299.01978	11.2
300.02728	40.7
301.03503	32.8
314.04346	11.5
315.04898	3.5
351.12570	1.5
431.05505	1.6
431.09998	17.7
432.10068	4.8
447.09311	100.0
448.09738	8.3
489.16293	4.5
490.16766	1.8
530.09418	1.4
835.26172	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	877.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	5.9
71.01254	15.9
71.57584	1.7
71.57987	1.2
72.99171	2.5
73.02827	2.0
78.95757	1.0
83.01282	1.5
85.02825	4.3
87.00768	3.9
89.02319	11.4
95.01248	1.5
97.02813	1.5
101.02322	9.5
104.66520	1.1
111.00829	1.3
112.39305	1.1
113.02328	3.5
116.92793	2.0
119.03386	2.2
123.08006	2.4
125.02350	2.2
125.09606	1.6
138.07677	1.0
143.03314	1.2
151.11179	3.1
153.12747	1.9
161.09581	3.4
171.10147	2.4
179.10730	5.3
197.11787	40.1
209.11775	4.6
211.07626	5.7
211.13393	1.4
221.06772	1.3
223.09589	1.2
235.08047	1.5
241.10771	2.1
255.23296	52.2
256.23584	3.6
263.37354	1.1
269.24838	1.8
342.72287	1.1
379.12424	1.3
397.13379	4.7
415.14285	2.2
416.06363	1.4
468.71780	1.2
877.48083	100.0
878.48346	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	877.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	1.6
69.03329	2.0
69.31966	6.8
69.32389	2.1
71.01257	58.7
72.01636	1.1
72.99173	3.4
73.02822	10.4
75.00760	2.1
78.95775	0.9
79.39854	0.8
83.01272	4.8
85.02828	22.2
87.00765	3.0
88.51778	0.8
89.02318	31.1
92.71071	0.7
93.03373	1.3
95.01279	1.3
96.95900	1.0
97.02802	1.1
99.00760	6.5
101.02328	12.7
108.02050	1.3
109.02840	1.2
113.02336	16.4
119.04919	1.0
121.02834	2.8
121.10126	9.5
125.02323	3.7
131.03395	11.0
134.03635	3.0
137.02402	1.3
143.03389	1.5
145.02913	1.4
147.04463	1.5
149.04477	8.6
149.05760	1.2
149.05946	1.0
150.03145	1.6
151.00275	1.1
156.08876	0.9
159.02963	1.0
160.01558	3.2
161.02362	1.3
161.04460	8.8
163.03926	1.2
165.01863	1.0
165.05493	2.0
165.09172	3.9
167.46741	0.9
175.03944	6.4
178.99767	0.9
181.08618	1.2
183.10239	2.9
190.06226	1.3
193.04984	3.5
194.05424	0.9
195.06468	0.9
200.79706	0.9
203.05693	0.9
209.11922	1.3
222.05182	1.8
239.07079	1.5
249.06081	1.5
251.07222	1.0
253.08690	1.2
263.07095	2.9
267.06766	2.3
269.08197	3.6
271.02585	1.3
279.06705	1.9
281.08167	6.2
283.09854	1.4
291.06653	1.5
292.07303	0.9
293.08289	3.3
294.09048	3.2
296.10504	2.0
297.07776	15.2
297.13544	7.8
300.02676	1.5
308.10477	1.2
309.07742	23.7
309.11261	3.3
310.08258	2.5
311.09680	1.1
312.10046	11.5
315.14499	100.0
316.14844	7.4
323.09305	5.7
324.10046	15.4
325.10159	2.1
327.12366	31.0
328.12753	2.0
329.16071	1.5
339.12360	25.6
340.12555	1.5
357.15869	5.5
369.15472	1.4
381.15689	2.1
399.16470	2.4
411.16565	2.7
459.18799	12.4
877.36700	11.1
878.37006	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	877.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	0.8
71.01262	16.5
72.99184	2.6
73.02831	6.6
75.00761	2.5
75.50126	1.0
83.01276	3.0
85.02836	6.6
87.00773	2.9
89.02322	6.3
93.03333	2.4
95.01286	2.3
96.95892	1.8
97.02869	1.2
98.20551	2.1
99.00766	14.4
101.02326	8.0
103.00198	0.9
109.02873	2.1
113.02337	7.2
117.03368	1.2
119.95302	0.8
121.02821	4.1
122.03637	9.8
123.00787	1.7
123.04446	2.2
125.02348	2.1
131.03368	1.7
132.02148	1.3
133.02901	1.5
134.03639	2.7
136.01564	19.1
136.02551	1.2
137.02365	3.4
137.06053	0.9
143.03391	1.3
147.04495	1.3
149.02351	10.0
150.03145	78.9
151.00322	4.7
151.03935	19.8
152.04395	1.0
153.01866	0.9
160.05197	0.8
161.02377	1.6
161.04497	3.8
162.03171	2.9
164.04649	1.6
165.05496	100.0
166.02649	10.3
166.05821	4.8
167.03433	1.2
175.02499	1.0
175.03970	3.0
177.05501	3.7
180.04155	6.6
181.05013	12.9
181.08716	0.9
191.03409	1.3
191.05573	3.2
193.03462	1.6
193.05009	2.1
195.06581	25.9
196.06898	0.9
205.05046	1.9
221.08168	1.0
285.03558	0.9
289.07303	1.0
293.08774	2.0
300.02966	1.3
301.03558	1.6
342.11151	1.8
357.09760	3.5
357.13556	2.9
369.13367	1.4
372.12308	2.5
373.12875	2.4
387.14435	10.1
393.04752	1.0
431.19135	1.1
437.19492	1.0
445.08051	1.3
459.15057	2.0
489.15521	40.9
490.16052	4.1
491.21176	1.9
513.06348	1.0
535.20074	1.1
583.22058	5.9
584.21942	1.0
847.29602	2.3
859.28705	1.0
877.31201	25.8
878.31714	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	877.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84568	0.7
69.03304	0.8
69.23154	6.1
71.01257	13.9
72.99171	1.2
73.02819	6.7
83.01265	2.7
85.02827	5.1
87.00739	1.1
89.02309	4.6
93.03332	2.8
95.01282	0.7
96.95903	1.1
97.02802	1.0
99.00755	17.0
101.02322	10.2
107.65903	0.6
108.02070	1.4
109.02830	1.6
113.02325	5.8
119.04930	0.8
121.02835	5.7
122.03644	10.3
123.00797	0.9
123.04388	1.8
124.01534	0.6
125.02301	1.7
131.03383	1.5
132.02075	4.1
133.02863	1.1
134.03653	3.7
135.04398	1.3
136.00520	1.5
136.01559	23.9
137.02303	2.4
143.03406	1.3
145.02856	0.7
147.04428	6.1
149.02362	8.9
149.05963	1.0
150.03131	80.0
151.00287	5.5
151.03928	26.0
152.00975	0.8
152.04355	0.6
161.02351	1.6
161.04469	3.5
162.03123	3.1
163.03925	1.6
164.04663	1.9
165.05484	100.0
166.02629	13.4
166.05838	2.6
167.03355	1.1
175.03932	2.1
177.01993	0.6
177.05476	2.6
180.04205	3.8
181.05011	10.2
181.08426	0.7
184.06050	1.3
189.05455	1.6
190.02754	0.8
190.06282	1.2
191.03444	0.9
191.05583	2.5
193.05035	1.6
195.06561	22.6
196.06915	1.3
205.04994	1.7
206.05644	0.9
221.08133	1.3
252.34190	0.8
293.08755	1.7
327.10733	1.2
329.10382	0.7
342.11026	1.1
357.09750	3.8
357.13495	1.8
372.12112	2.5
373.12967	2.6
387.14456	11.4
471.52386	0.6
489.16150	92.0
490.16501	7.1
497.07767	0.7
535.19562	3.8
565.28870	0.8
583.21790	6.8
773.13861	0.8
877.31323	17.1
878.31067	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	875.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96106	2.9
69.03326	1.2
71.01263	8.5
71.19590	2.6
73.02814	2.2
78.98473	6.6
79.95612	21.1
80.96397	100.0
85.02818	3.9
87.00745	4.0
94.97969	19.2
96.95917	1.3
101.02301	2.4
106.97990	2.0
114.38435	1.2
122.97449	5.1
125.02332	4.9
134.97485	4.7
136.99022	1.8
148.99063	6.8
152.98567	6.9
153.84155	1.4
155.64027	1.1
164.98552	14.7
182.05171	1.2
206.99626	2.0
214.24004	1.1
224.98692	1.9
225.00722	22.2
273.50549	1.1
408.37814	1.2
565.30469	2.3
591.25195	1.4
874.50970	1.7
875.51917	96.5
876.52319	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	877.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85432	1.3
69.58157	9.1
71.01238	1.9
75.23765	1.1
83.04900	1.2
85.02831	1.9
89.90077	1.0
93.03339	12.9
99.08730	1.1
99.22987	0.9
109.02818	2.0
111.04405	3.5
119.04913	3.7
134.03619	10.0
137.02319	3.9
145.02831	3.9
149.05951	2.1
155.03362	3.3
160.01585	2.9
163.03894	3.5
173.04480	40.1
173.05983	2.0
174.04800	1.6
175.03928	3.9
191.05530	11.3
193.05045	9.2
233.06630	100.0
234.06966	3.5
235.75969	1.2
278.27441	1.2
319.08096	5.8
337.08981	1.7
349.05344	2.0
349.09280	22.1
379.10291	8.9
409.11270	6.7
550.54797	1.4
664.03369	1.2
884.54834	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	10.2
65.52040	4.8
71.01250	9.1
73.66356	5.6
83.03718	4.2
84.23726	4.6
85.02843	6.6
88.98674	6.3
94.63745	4.8
98.20605	9.0
116.92782	13.3
130.76999	4.5
161.04475	5.1
171.10220	12.8
211.13368	5.9
230.19945	9.1
253.09256	43.0
255.34441	5.3
291.19647	6.1
293.21246	93.8
309.20938	6.4
327.21738	100.0
328.22052	8.7
351.07907	4.9
533.91034	5.3
545.29144	7.4
563.30774	20.5
603.42444	11.9
839.52295	8.7
875.49512	30.5
876.49731	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	875.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96105	1.7
69.03316	1.5
69.98360	2.4
69.98772	1.7
71.01256	10.9
73.02831	1.7
78.98466	8.6
79.95613	20.2
80.96394	98.3
85.02825	3.0
87.00759	4.0
94.97962	21.8
95.28876	0.7
96.95892	1.8
97.02828	1.8
98.19719	0.8
101.02304	2.3
106.97971	4.8
122.97466	5.0
125.02340	3.4
134.97484	7.0
136.99025	2.2
148.99043	7.6
152.98518	6.6
164.98547	14.7
206.99622	3.5
225.00700	22.3
279.35803	0.7
283.26419	1.5
323.17505	0.9
543.19263	0.8
565.30383	1.1
798.18073	1.1
847.86127	0.9
857.79047	0.9
875.51923	100.0
876.52203	20.3
876.69159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	3.1
69.03333	3.4
70.34663	10.2
71.01256	60.5
72.99171	6.4
73.02822	25.2
75.00742	5.6
83.01271	14.0
85.02824	28.2
86.02361	5.1
87.00762	8.2
89.02323	17.7
95.01253	5.0
96.95895	21.8
97.02869	3.8
99.00746	7.5
101.02320	46.5
101.71080	3.2
107.87283	3.4
113.02359	28.3
117.03320	5.6
119.03336	4.6
119.04919	5.6
120.01136	5.8
121.02849	4.1
125.02325	6.2
128.03421	41.2
128.04268	6.3
132.02049	5.2
134.03633	90.4
143.03432	5.9
149.02448	4.5
149.05931	8.6
150.03166	5.5
160.01591	11.1
161.02242	3.6
161.04446	18.0
165.05470	9.1
171.07680	11.6
175.03925	20.0
179.03322	4.5
180.04393	3.4
183.04449	3.4
190.02687	3.2
193.05002	100.0
193.06773	5.6
194.05370	3.8
195.06493	6.5
209.08107	10.5
209.15361	8.1
215.06728	3.7
249.05498	21.2
253.94427	3.4
255.02960	3.8
283.02539	5.1
284.03036	3.4
299.01822	7.0
300.02826	8.9
301.03513	13.0
331.17542	7.9
339.66602	3.6
353.19675	24.7
371.20734	42.1
413.21796	74.4
414.22296	4.8
447.64960	3.5
461.10718	7.0
875.38757	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	873.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	27.9
66.66006	17.0
71.01250	38.5
76.85417	14.4
80.30124	14.8
81.96501	16.7
84.45769	19.2
88.98692	76.4
89.02296	19.9
101.02304	20.7
101.38230	19.4
116.92740	66.3
133.01468	34.0
150.04092	51.5
150.74689	20.8
151.03888	16.0
159.47910	16.9
160.42346	18.0
161.04349	17.4
171.10130	44.0
197.11745	31.9
209.11711	62.9
211.13286	39.1
211.59579	18.5
242.59480	17.1
253.09238	17.5
258.11975	17.8
291.19629	60.7
293.21326	75.3
307.19226	59.3
309.20886	84.6
314.22867	19.9
325.20251	37.4
421.37622	18.3
736.55701	23.3
819.48969	25.8
873.47583	100.0
874.49731	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	875.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	3.0
69.03368	1.8
71.01248	18.0
71.58493	2.2
72.97376	2.1
72.99186	2.8
73.02825	3.4
75.00765	3.4
77.79762	1.4
79.59541	1.4
83.01273	1.8
85.02836	10.4
85.03301	1.5
87.00751	5.3
89.02335	9.5
95.01296	1.6
96.95900	1.8
99.00761	3.3
101.02311	8.3
108.02039	1.8
109.02846	1.8
111.00685	2.2
113.02345	8.1
115.00230	1.6
115.27676	1.5
117.03300	1.8
119.04936	2.2
121.02834	3.4
123.04426	1.9
125.02300	3.5
131.03427	2.5
132.02078	12.9
133.02818	1.7
134.03636	24.0
135.04091	1.9
136.01596	8.2
136.03951	2.3
137.02309	5.0
145.02829	5.7
147.04482	2.2
149.02275	3.4
149.05972	4.5
150.03149	3.8
151.03954	8.8
158.03645	2.5
159.04436	5.1
160.01576	59.6
160.05188	12.8
161.02214	4.1
161.05984	3.2
163.03888	5.3
164.04617	2.4
173.05913	2.5
175.03925	76.1
175.07530	6.7
176.04494	3.4
177.05489	5.4
178.02739	1.6
179.03320	1.7
179.05554	2.2
189.05394	1.7
193.04997	22.6
205.59935	1.6
209.11787	6.4
211.13368	2.1
227.03468	1.9
254.05879	2.4
255.03044	3.0
267.06653	5.4
269.08212	6.6
270.09052	3.4
281.08212	7.5
282.08801	2.5
284.03314	2.1
294.09042	1.7
323.09308	3.1
329.13629	2.2
337.09268	100.0
338.09619	5.2
351.47229	1.6
353.10220	6.8
444.15668	2.2
459.18484	2.0
477.19052	15.2
478.19278	2.4
489.19235	16.7
497.14346	3.9
507.20648	3.9
519.20819	2.3
558.25421	1.8
713.26044	22.9
714.26263	4.3
765.41858	2.0
845.30542	12.9
874.91931	2.2
875.30560	39.9
876.31805	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	873.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99257	1.4
71.01256	18.4
72.99194	5.2
73.02818	2.9
75.00760	11.6
83.01264	2.0
85.02823	13.7
87.00760	6.3
89.02340	5.4
95.01261	4.6
98.19711	2.7
99.00746	10.1
101.02321	2.8
103.00237	1.8
105.01839	1.5
105.25621	1.8
111.00826	2.0
113.02345	15.3
115.00261	3.7
117.01776	2.7
142.99777	3.8
156.00563	4.7
161.22768	1.5
174.01617	10.7
175.02397	5.6
209.11792	13.1
211.13370	21.3
213.14818	1.9
229.80403	2.0
229.82471	1.6
233.86420	1.6
239.40839	1.6
249.06157	2.1
250.89685	1.5
255.23288	61.5
256.23785	3.2
267.12662	1.6
277.21616	2.2
278.22025	2.0
281.24960	2.6
283.26385	5.9
314.63858	1.7
390.78110	1.7
397.13425	4.7
447.21722	1.8
699.43250	100.0
700.43707	18.5
711.43182	3.6
755.42468	6.4
795.41370	2.0
837.42957	2.8
855.43878	15.2
856.44489	3.1
873.46735	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	873.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93701	5.6
70.52679	5.9
71.01254	9.5
71.57796	9.3
76.86372	5.9
82.76331	5.0
83.64249	5.9
100.58998	6.0
116.92754	14.6
135.30338	6.4
136.03690	6.8
144.68942	6.3
171.10193	8.7
197.11743	13.4
211.13426	6.9
227.12758	7.6
253.09276	20.6
291.19714	30.7
293.21228	7.6
309.20758	100.0
373.48831	6.9
541.44659	7.1
873.48157	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	871.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	1.4
63.65850	0.5
69.03342	0.9
69.25100	2.0
69.25523	3.5
71.01254	6.4
71.04897	1.6
72.02023	0.7
72.99195	0.5
73.02847	0.9
75.00726	0.5
80.02540	1.2
80.96384	1.1
81.03338	1.3
83.01279	0.6
83.04895	3.7
84.02042	2.9
85.02841	2.0
89.02336	1.6
95.04932	1.2
97.02833	0.6
97.05938	0.5
97.06464	2.4
98.03631	0.6
98.20499	1.0
99.04404	0.9
99.08039	2.3
101.02335	1.2
103.03874	0.5
108.02078	0.5
109.02821	0.6
109.06499	1.5
111.08060	1.5
112.05159	0.8
113.02296	0.9
115.07564	2.0
116.92752	0.6
121.02860	1.0
122.03600	0.5
123.04449	0.8
123.08060	1.2
123.92632	0.5
125.05953	0.8
125.09615	4.2
127.07544	10.8
135.04442	0.5
135.08087	1.4
137.09627	1.4
139.07561	2.8
141.09125	1.0
149.09575	0.8
151.11230	0.5
153.09120	7.2
155.10690	2.1
163.11238	3.9
165.12761	2.6
171.10185	10.1
172.92201	0.5
178.09927	3.0
181.12305	1.0
183.70599	0.5
185.11761	14.0
189.50079	0.4
191.10712	1.3
191.14371	1.9
193.12381	0.5
197.11781	14.9
198.12111	0.6
205.04984	0.7
207.10239	1.7
209.11783	57.8
210.12158	2.4
211.13342	1.6
221.11809	0.6
227.12761	0.8
236.10565	1.3
237.11269	0.6
238.12086	4.7
245.19077	2.8
249.15027	0.5
253.09230	1.1
253.18137	0.8
255.12291	0.6
256.13126	1.7
263.20157	1.2
265.17960	0.6
279.19662	1.3
289.18137	9.0
290.18463	1.0
291.19690	1.9
297.20660	0.6
307.19165	93.8
308.19501	7.0
309.20679	3.2
315.14520	0.6
325.20209	100.0
326.20569	7.1
339.56161	0.5
456.10382	0.5
493.06058	0.5
527.27356	0.5
871.42963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90457	27.8
71.01243	40.5
78.95802	39.5
79.75214	23.3
89.67966	23.8
92.84367	25.6
96.62765	27.0
116.92781	46.9
209.11752	34.5
253.09355	33.3
277.21805	51.2
289.18088	39.7
306.07559	53.9
307.19330	36.9
309.20566	79.1
329.27493	29.6
344.97159	27.0
348.23886	26.3
372.64090	29.2
373.89847	26.5
392.69107	26.2
476.04050	25.9
509.51138	27.9
616.13361	30.3
871.47522	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	871.1946
Annotation	Kaempferol 3-(2''-feruloylglucosyl)-(1->2)-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
63.02273	0.4
65.00191	0.7
83.01259	0.8
93.03334	1.0
98.20533	1.1
107.01261	1.2
117.03367	0.6
132.02048	1.2
133.02798	0.7
134.03609	1.3
135.04391	0.7
137.02322	0.4
149.02438	0.4
151.00266	2.8
154.04167	0.5
155.04947	0.4
159.04391	0.5
160.01564	4.5
161.02327	1.1
163.00334	0.6
167.03476	0.3
169.01326	0.6
169.06502	0.6
171.04465	0.6
175.03934	3.0
176.04619	0.4
179.03273	0.4
183.04443	1.0
185.06049	0.8
187.03964	0.5
187.63493	0.3
199.03905	0.4
201.11305	0.5
209.11795	1.0
211.03932	1.0
213.05473	0.5
227.03455	7.9
228.03758	0.4
229.05077	0.9
239.03439	0.8
241.05038	1.1
255.02975	19.1
256.03531	1.8
257.04510	0.7
283.02478	13.2
284.03265	15.6
285.04037	100.0
286.04358	6.4
297.03967	0.6
299.05594	5.1
300.05881	0.4
323.07745	2.9
326.04617	0.4
327.05032	1.0
401.57178	0.4
489.10385	10.3
490.10843	1.0
499.70749	0.3
531.11292	1.0
623.14069	32.3
624.14417	4.9
632.11823	0.3
715.06232	0.4
827.19611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.4
71.01256	17.6
72.99173	1.6
73.02814	2.7
78.95806	0.5
80.96391	1.2
81.03331	1.4
83.01270	2.0
83.04900	0.5
85.02828	3.5
87.00752	5.5
89.02319	13.3
95.01262	1.3
97.02831	2.5
99.00747	1.2
101.02328	12.4
109.02851	0.4
109.06535	0.4
111.00786	0.7
113.02337	7.9
116.27764	0.4
119.03392	3.7
125.02334	6.7
131.03374	0.8
133.04968	0.5
139.03867	0.5
143.03418	3.2
155.10709	0.5
161.04478	3.0
167.10667	0.7
167.14355	0.8
171.10245	0.4
179.05521	4.3
182.24518	0.4
183.13809	7.4
185.04576	0.6
193.12280	1.6
199.06190	0.5
211.13345	100.0
212.13667	4.3
215.48900	0.4
217.07184	0.8
221.06647	1.2
223.36919	0.4
235.08191	5.5
235.10367	0.5
237.03134	0.4
253.09171	0.5
259.08328	0.6
277.21725	46.8
278.22086	2.6
287.07712	1.6
289.36554	0.4
305.08789	2.1
323.09814	1.0
379.12427	7.2
397.13498	36.9
398.13983	2.3
415.14584	8.3
416.14972	0.6
434.57101	0.4
591.26532	2.1
609.27948	2.5
610.28430	0.5
675.35681	0.5
832.89917	0.5
869.46710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09358	0.5
69.03311	3.4
70.14558	0.8
70.14951	1.7
71.01259	8.1
72.99174	1.0
73.02814	1.4
78.95791	0.7
79.95630	0.6
81.03321	1.0
83.01259	1.5
83.04887	1.4
84.02038	1.6
85.02837	2.8
87.00747	2.1
89.02325	6.0
95.01254	0.8
95.04904	1.3
96.95895	8.1
97.02836	5.5
97.06471	8.1
98.20437	0.9
98.65781	0.5
99.04445	0.6
99.92469	0.9
101.02331	6.4
103.04967	0.9
107.04872	0.7
109.02822	0.7
109.06512	0.8
111.08041	3.2
111.49798	0.6
113.02347	4.4
116.92745	4.6
119.03384	1.8
119.08639	0.7
121.02885	0.6
125.02338	1.7
125.06084	0.6
125.09637	3.2
127.07572	0.7
127.11203	0.6
128.03465	0.7
135.08096	0.7
137.09642	2.5
143.03404	0.8
145.05067	0.8
145.06094	4.0
145.59415	0.5
146.04485	1.9
149.09653	0.5
151.11185	0.6
161.04459	3.0
163.11198	1.6
165.12779	3.6
167.10646	0.7
169.12222	1.3
171.10196	15.8
175.11134	0.6
177.12738	0.5
179.05548	1.7
181.12302	1.5
183.13841	1.8
185.11739	1.3
193.12273	11.8
193.15948	0.9
194.12529	0.7
197.11777	13.0
198.12071	1.0
199.13342	0.6
201.11230	0.9
209.11758	4.0
211.13353	16.3
211.15378	0.8
212.13696	1.3
221.11739	1.3
223.13313	0.9
225.11395	1.0
225.14943	15.0
227.12831	2.9
235.08170	3.9
239.12877	0.6
243.16005	7.0
247.20638	2.7
253.09274	26.6
253.14384	1.2
254.09628	0.9
273.18597	1.4
277.21753	5.7
289.07196	1.4
291.19662	25.3
292.20010	2.8
293.21246	1.6
300.02548	0.7
305.21371	0.6
309.20709	61.0
310.21027	4.5
327.21719	0.8
341.23322	100.0
342.23682	10.5
357.22717	0.6
379.12411	1.0
397.13394	4.0
415.14713	1.2
526.99597	0.6
545.29523	1.0
577.32330	2.8
633.43695	6.3
634.43774	1.4
723.34613	0.8
750.25140	0.6
769.67572	0.6
869.38501	1.4
869.48651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	1.7
62.59703	0.7
62.88206	0.6
69.03336	1.5
71.01255	17.4
72.99173	1.8
73.02823	3.1
74.59135	0.6
75.00744	0.7
78.95773	1.3
79.95607	0.9
80.96396	3.0
81.03329	0.9
83.01253	1.8
83.16389	0.6
85.02846	3.9
87.00772	3.4
89.01755	0.7
89.02315	15.1
93.34677	0.7
95.01235	1.4
96.95919	0.9
97.02835	3.3
97.53456	0.6
99.00756	1.1
101.02328	12.9
113.02335	6.5
119.03381	4.5
125.02334	5.8
131.03398	0.8
133.04898	0.6
143.03372	2.2
161.04408	3.5
167.14250	0.8
179.05577	3.3
183.13821	7.2
193.12270	1.5
199.06013	1.0
211.13342	100.0
212.13629	3.9
221.06654	1.5
229.85745	0.9
235.08232	5.4
253.09358	1.0
270.51062	0.5
277.21729	58.7
278.21997	4.0
287.07828	1.6
291.23282	0.6
305.08786	1.9
323.09894	0.8
379.12500	7.8
397.13486	40.5
398.13791	2.0
415.14578	8.9
483.50351	0.7
490.57532	0.7
591.26428	1.4
609.27679	1.4
629.18591	0.7
675.35999	0.8
869.47455	3.9
870.46307	0.7
891.05042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	8.0
69.03334	2.8
69.54421	10.4
71.01254	15.8
71.04893	1.7
72.99183	1.6
73.02825	4.2
74.05105	1.0
75.00742	1.2
75.23061	1.1
78.95779	2.2
79.95609	1.2
80.02558	1.4
80.96429	1.6
81.03339	2.9
83.01231	2.1
83.04892	7.0
84.02056	2.2
85.02823	5.5
87.00768	2.8
88.43507	1.1
89.02302	7.3
95.04893	3.4
96.95899	12.9
97.02835	7.8
97.06488	2.6
98.19747	1.0
99.00723	1.7
99.04387	4.0
99.08050	1.5
101.02316	9.0
109.02840	1.7
109.06448	2.8
112.05168	2.4
113.02327	4.9
113.05930	1.4
115.07514	2.6
119.03416	2.9
121.02970	1.2
123.08057	2.6
125.02336	2.4
125.09600	9.6
127.07559	4.6
127.11211	1.6
135.08058	3.4
136.35910	1.2
137.09624	3.8
139.07527	2.6
141.09178	1.8
145.04932	1.5
153.09119	23.6
155.10675	2.4
159.10216	1.2
161.04442	3.6
163.07703	1.6
163.11198	6.4
165.12779	4.6
171.10191	53.8
172.10603	2.3
178.09904	5.2
179.05487	2.4
185.11742	10.8
187.14781	1.4
191.10701	4.4
191.14316	2.6
193.12289	2.1
197.11751	18.0
201.11273	2.8
205.19859	1.4
207.10132	2.3
209.11775	84.7
210.12083	4.4
211.13304	6.9
212.13631	1.4
219.13867	1.5
221.11757	1.7
223.13493	1.3
225.11298	1.7
227.12750	4.3
231.74907	1.2
235.08208	5.3
235.20485	1.2
236.10530	1.8
238.12108	2.9
245.19098	4.9
253.09235	16.6
263.20407	1.6
265.18137	2.1
279.19556	2.4
289.18073	21.7
289.21115	1.9
290.18643	1.8
291.19662	5.0
293.21097	2.2
297.20779	2.5
305.17545	3.8
307.19150	100.0
308.19409	5.6
309.20734	19.0
310.21124	2.4
323.18588	2.1
325.20197	49.6
326.20636	1.8
327.21790	6.9
375.21869	1.2
433.43323	1.4
437.39365	1.3
474.21097	1.4
525.26678	2.3
543.28192	21.3
544.28546	2.9
561.29187	5.3
709.37927	2.3
727.38934	2.8
755.42706	1.4
764.40094	2.5
782.41339	3.8
833.46893	5.9
851.48090	10.4
852.48267	1.8
869.47546	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	869.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	1.9
71.01254	9.5
71.38394	2.9
72.99191	3.4
73.02779	1.5
73.10592	1.4
75.00753	1.5
78.95786	2.4
80.96399	7.7
83.01240	2.8
85.02798	1.9
87.00762	3.9
89.02316	4.1
97.02850	2.0
97.96077	1.3
101.02325	5.6
105.01801	9.8
107.01287	2.1
113.02351	4.0
115.00223	2.6
121.02826	2.6
125.02316	3.9
145.01318	8.0
151.00278	4.4
161.02434	3.9
165.38171	1.5
171.10228	1.5
172.01569	1.7
178.99760	2.0
179.05557	2.1
183.04346	1.6
183.13785	2.0
186.03142	5.6
189.01845	3.9
199.03897	3.2
209.11749	11.9
210.12166	3.2
211.13383	17.9
214.02592	7.7
216.00522	2.0
225.00766	3.1
227.03444	2.5
235.08098	3.3
241.01413	45.5
242.02142	17.6
243.02931	7.3
244.98524	2.4
245.00914	31.7
253.09277	1.4
255.02940	3.2
270.01724	62.9
271.02448	44.2
272.02866	3.4
277.21707	16.7
278.22165	2.1
298.01163	30.7
299.01968	100.0
300.02441	8.6
379.12561	2.0
397.13632	8.7
415.14365	2.0
445.07977	14.6
446.08417	4.7
456.19781	1.7
566.52692	1.8
679.10107	1.7
694.70404	1.6
723.33905	66.3
724.34369	13.2
772.30200	1.7
869.38770	28.1
870.40405	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	868.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	100.0
69.87403	0.8
69.87807	0.4
71.01263	0.7
78.95805	0.3
79.95607	1.1
80.96394	1.6
87.00748	0.2
89.02328	0.5
90.14023	0.2
94.97984	0.5
96.95966	0.2
98.19906	0.3
101.02361	0.2
116.23077	0.2
125.02326	0.2
176.06255	0.2
211.13383	1.1
225.00752	0.6
243.07570	0.2
277.21765	0.6
332.72360	0.2
397.13693	0.3
653.97394	0.2
818.54169	0.2
869.47589	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	869.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49009	0.7
61.98710	1.2
68.99695	1.0
71.01259	14.4
72.99174	0.9
73.02835	2.5
75.00739	1.6
83.01254	1.1
85.02816	4.1
87.00764	2.7
89.02343	4.0
93.03345	2.3
96.95907	1.9
99.00767	2.2
101.02327	4.1
107.04910	0.8
108.02104	1.0
109.02814	1.4
113.02332	4.6
117.03355	33.7
119.01322	1.5
119.04919	100.0
120.05269	3.6
121.02866	3.3
125.02379	1.1
131.03322	1.1
132.02104	5.6
133.02878	3.0
133.06496	2.2
134.03638	13.1
135.04376	1.4
137.02328	1.0
143.03430	1.2
145.02861	87.5
146.03236	1.9
149.02370	5.6
149.05980	2.5
150.03157	2.5
151.03867	1.9
159.04483	1.2
160.01578	25.4
161.02318	2.7
161.04655	1.0
161.05983	5.1
162.02982	0.8
163.03931	74.4
163.11121	0.8
164.04668	5.5
165.01865	2.0
171.10213	3.3
175.00339	8.9
175.03917	30.3
176.01070	6.4
176.04486	2.7
177.05510	6.1
178.02589	1.3
179.03438	1.7
179.07152	1.1
185.11707	1.7
187.03958	4.2
190.02641	24.2
191.03453	7.7
191.05261	1.1
191.07114	3.2
193.05005	11.7
199.09566	1.3
201.11282	3.7
205.05017	33.2
206.05615	1.1
207.10204	1.0
208.03644	1.0
209.04416	2.0
209.11780	8.5
217.04974	1.1
223.06107	6.5
225.11241	1.8
227.12740	1.2
235.06195	3.8
247.06157	1.2
249.06215	1.0
265.07156	2.7
267.07266	1.3
287.69312	0.8
294.66022	0.8
295.08292	3.7
323.07700	2.0
329.15961	3.1
337.09262	25.5
338.09454	0.9
353.08734	7.3
367.10333	27.9
368.10834	2.2
397.13492	2.4
415.14334	0.9
501.14014	46.3
502.14450	4.7
531.15082	59.4
532.15723	4.4
574.13031	0.8
705.20331	1.5
868.41364	1.1
869.39392	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	867.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	2.8
69.03333	2.9
71.01258	28.4
71.57427	1.9
72.99170	3.3
73.02807	4.0
81.03340	3.3
83.01259	3.6
83.04892	7.6
84.02036	1.9
85.02834	10.1
87.00735	5.6
89.02314	21.7
93.03333	1.3
95.01266	2.3
95.04906	1.8
97.02827	2.8
97.06458	1.8
99.00753	3.2
101.02328	15.6
111.04391	2.0
111.08063	1.8
113.02341	8.6
119.03324	2.7
125.02303	3.7
131.03444	1.7
135.08072	1.8
143.03369	3.0
161.04396	2.3
163.11197	6.4
165.12761	10.2
171.10162	1.7
179.05537	3.6
181.08630	1.3
183.13834	60.3
184.14180	2.7
191.10719	1.6
195.38095	1.5
207.10185	2.1
209.11777	91.0
210.12071	2.8
211.13368	16.2
212.13644	5.0
221.06633	2.9
225.11264	3.5
227.12823	12.2
235.08217	3.1
237.91937	1.4
241.14459	1.9
341.10867	2.7
397.13608	9.7
415.14667	2.2
451.69925	1.4
553.18738	1.4
582.74396	1.3
607.26080	2.3
625.27252	3.5
817.37048	1.7
835.39703	100.0
836.40149	20.6
867.42456	11.5
868.42834	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	867.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	5.3
69.03322	2.6
71.01255	23.1
71.29761	1.5
72.99185	4.9
73.02821	5.2
74.02338	1.3
75.00742	4.9
78.95765	1.3
80.02542	1.3
81.03349	2.9
83.01254	4.5
83.04893	5.0
85.02824	11.6
87.00752	8.6
89.02321	13.1
93.03308	1.4
95.01283	1.6
95.04909	2.3
96.95900	8.9
99.00737	4.7
99.04396	1.9
101.02329	15.4
108.02100	1.9
109.02861	3.1
109.06475	2.8
111.00777	2.2
111.04414	1.8
113.02330	9.8
114.59667	1.2
115.00257	1.9
119.03391	2.9
119.04885	2.8
121.02865	2.2
122.03663	1.6
123.04448	1.5
125.02359	2.6
125.09629	4.4
127.11193	5.8
131.01279	1.3
131.03394	2.9
132.05490	1.4
134.03654	16.4
136.01646	1.8
137.02325	3.0
143.03429	2.4
145.02847	2.0
147.04462	1.8
147.08003	1.3
149.02425	2.6
149.04482	1.6
149.05966	3.7
150.03091	3.3
151.00339	2.1
151.03925	2.7
153.01823	1.4
155.10669	2.4
160.01563	2.8
161.04451	5.5
161.05702	1.4
163.03870	1.8
163.11200	3.0
165.01851	1.4
165.05522	1.8
165.09099	2.4
165.12764	3.2
169.12419	1.5
171.10173	4.0
173.04533	1.4
174.01649	1.6
175.02501	3.0
175.03938	5.6
175.07607	1.5
179.03320	1.3
179.05499	2.4
183.10251	1.7
183.13831	5.2
191.05545	2.8
193.05006	16.1
193.12210	1.8
194.05354	2.5
195.06599	1.7
197.15332	1.7
199.09775	3.4
201.11284	72.6
202.11604	3.7
207.10017	1.5
209.11794	100.0
210.12141	4.5
211.13362	69.8
212.13734	2.8
213.14941	14.9
223.13377	4.5
225.11284	1.7
225.14958	1.3
227.12875	12.4
235.08141	7.2
235.13239	3.2
241.14449	34.0
242.14841	2.9
243.16040	3.6
249.14911	2.2
251.12929	4.5
253.09299	17.1
253.14410	5.6
259.13403	6.2
263.12860	3.9
268.07547	1.6
277.14444	3.0
289.07108	4.1
315.14450	2.2
329.13895	1.6
359.15161	1.9
415.25009	1.7
437.20105	2.6
445.20721	6.1
447.22443	10.4
451.22379	1.6
477.23389	5.6
489.23584	2.5
513.23602	2.7
613.32672	2.1
625.32666	2.9
631.33221	6.0
639.33929	5.7
643.33472	8.3
651.33710	7.0
652.32825	1.5
661.34717	7.5
662.34442	2.9
669.34869	13.9
670.35449	4.9
673.34076	2.7
687.24487	1.6
687.35889	2.7
697.34741	3.1
709.33875	2.7
715.35168	2.3
745.36993	1.9
760.68347	1.6
805.39148	3.5
829.29486	2.3
849.36993	1.9
867.37347	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	867.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00215	0.6
71.57771	0.5
73.02821	0.8
81.03341	3.2
83.01254	2.3
85.02816	0.9
87.00753	0.4
89.02308	1.2
93.03329	3.3
95.01254	0.5
96.95866	0.5
101.02335	1.2
107.01288	1.2
113.02314	0.8
119.04890	2.6
123.04420	10.0
125.02341	5.5
135.00801	0.5
137.02354	0.7
140.92978	0.4
149.02333	0.9
151.00255	2.2
153.01842	0.7
157.06598	0.5
163.00266	1.3
163.03955	0.6
165.01865	0.5
167.03415	31.2
168.03743	0.8
171.04314	0.4
174.03177	0.4
179.03438	3.2
183.04417	0.5
185.06007	0.8
187.03983	1.1
189.05508	0.9
191.03409	0.8
199.03935	0.6
209.11800	0.5
211.03934	1.2
213.05510	0.9
227.03452	32.7
228.03835	1.7
229.05032	4.9
239.03577	0.8
241.05063	1.2
243.02989	0.5
255.02972	49.4
256.03522	5.7
257.04605	3.0
273.07684	48.4
274.08075	3.2
284.03268	57.0
285.04022	55.2
286.04425	3.6
300.02740	0.9
331.17599	0.8
349.18427	0.9
368.48724	0.5
382.92828	0.4
390.38632	0.4
391.19730	1.4
431.09818	100.0
432.10208	9.6
432.15509	0.3
433.10623	0.6
435.13101	4.3
436.13544	0.6
597.21503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78819	1.2
63.96104	2.2
71.01263	9.9
72.98157	1.1
73.02840	1.1
78.98461	8.5
79.95614	21.6
80.96396	89.9
81.03367	1.5
85.02827	5.2
87.00767	3.6
92.51417	1.2
94.97963	23.1
96.95873	1.7
97.02831	1.6
98.20538	3.2
101.02316	3.7
106.97959	4.2
116.92750	1.6
122.97490	3.0
125.02355	3.4
127.03898	1.8
134.97504	6.7
136.99074	2.6
138.20810	1.1
148.99059	9.2
152.41370	1.1
152.98529	7.6
156.58485	1.1
164.97246	1.8
164.98532	14.6
184.48705	1.1
197.11705	3.9
200.13817	1.0
203.32220	1.0
206.99614	3.7
225.00716	22.3
229.43672	1.3
239.68959	1.1
253.09636	1.3
255.23193	1.4
277.21802	6.8
283.05084	1.9
309.20782	2.9
537.27515	1.9
590.72504	1.2
609.26007	2.4
801.49304	1.2
865.49945	100.0
866.50354	19.8
878.25629	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11113	2.5
66.24081	2.4
66.24597	2.2
71.01263	17.2
73.02801	3.3
78.77897	2.3
78.98478	7.8
79.95618	21.0
80.96399	98.7
85.02838	5.1
87.00755	3.9
89.02349	3.7
89.47375	2.4
94.97975	23.1
97.02849	8.5
101.02341	9.5
106.97978	2.9
113.02347	3.4
122.97472	4.3
125.02338	3.0
134.97508	4.9
148.99052	7.6
152.98570	7.5
161.04483	2.7
164.98592	16.7
165.12805	4.9
171.10175	7.0
206.99651	5.8
211.13480	2.4
220.23059	2.2
225.00728	21.9
227.12712	4.6
229.35532	3.8
247.20724	2.8
253.09319	16.8
277.21744	100.0
278.22156	6.4
291.19653	44.0
292.19995	3.3
309.20752	63.7
310.21063	6.2
450.57553	2.8
475.00076	2.8
645.39154	3.2
865.50037	92.8
866.50726	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70521	2.8
66.93894	3.0
69.62292	3.1
71.01262	30.0
71.57499	2.9
72.99192	3.7
73.02848	4.7
78.95798	4.4
83.01270	6.0
83.04921	6.4
85.02847	9.3
87.00754	7.1
87.49139	2.9
89.02326	24.9
92.70545	2.9
97.02809	4.0
101.02334	20.8
102.02718	4.2
113.02348	13.3
119.03397	7.6
119.96580	2.7
125.02365	11.6
152.99496	3.6
159.04253	2.6
161.04469	5.5
163.11180	4.9
171.10175	26.9
179.05585	6.5
209.11780	100.0
209.13782	5.2
210.12140	51.8
211.12427	11.6
227.12848	13.1
227.68904	3.0
228.13188	5.1
235.08241	8.8
255.23277	48.9
256.23624	37.0
257.23840	7.3
277.21768	15.2
305.08899	3.5
309.20779	7.0
319.22818	3.6
337.23871	4.3
362.01303	3.2
379.12576	9.2
397.13510	45.9
398.14001	25.0
399.14114	10.4
403.93744	3.1
415.14752	5.6
416.14874	4.5
865.44843	12.5
866.43890	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	865.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45239	2.4
69.03310	2.5
71.01258	22.0
71.58263	3.1
71.58664	2.1
73.02805	3.5
75.00735	3.9
77.64858	1.9
78.95774	5.0
80.96396	12.5
81.03318	2.5
81.79515	1.9
83.01242	2.5
85.02827	8.4
87.00737	3.1
89.02309	11.6
89.29758	1.8
97.02806	4.7
99.00751	2.8
99.04366	1.9
100.82274	1.9
101.02325	14.5
113.02328	7.8
119.03362	3.3
119.24629	1.9
120.61137	1.9
125.02306	5.8
125.09618	2.1
130.79292	2.0
131.03348	2.7
134.97559	2.4
139.11159	2.5
141.01622	3.4
152.98534	3.8
164.98523	4.2
167.10696	3.1
171.10123	4.8
185.11777	45.0
209.11758	8.2
210.12033	4.5
221.06639	2.3
225.00606	6.2
238.32434	2.1
255.13922	2.4
255.23265	62.0
256.23441	4.8
282.79617	2.3
293.21268	2.7
299.04266	4.9
362.27493	2.2
397.13474	8.5
398.13754	2.5
417.90201	2.2
541.27679	2.7
783.41931	5.2
865.48035	100.0
866.47961	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	865.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15867	0.7
61.98709	1.5
69.03321	1.2
69.69406	2.6
69.69822	2.5
71.01255	62.0
72.99186	6.0
73.02815	11.0
75.00736	2.5
81.03304	0.8
83.01275	5.1
85.02823	20.2
87.00761	4.5
89.02314	30.5
92.04931	1.6
93.03334	2.2
95.01243	1.5
96.95858	1.0
97.02793	0.9
99.00775	3.7
101.02333	9.2
111.04411	1.1
112.98681	1.8
113.02332	6.8
115.00280	3.7
119.03381	1.1
119.04914	1.0
121.02834	3.7
121.10117	10.0
122.03638	9.1
125.02359	1.8
127.03896	0.7
129.01837	1.0
131.03406	9.2
133.02887	0.9
134.03624	1.5
135.02850	2.3
136.01563	0.9
136.03905	1.2
137.02362	1.2
137.11571	0.8
139.11172	1.2
142.99747	3.3
145.04955	1.0
149.02356	25.8
149.04251	3.7
150.03136	58.9
151.03792	1.4
161.02371	1.5
161.04457	1.4
163.03918	1.6
164.04703	7.2
165.05489	50.1
165.09169	4.5
165.12767	1.7
166.05795	2.3
171.10205	2.0
173.00861	0.8
174.01608	4.8
175.02376	4.6
175.68869	0.8
179.03392	2.4
180.04271	4.1
181.04988	0.7
183.10219	1.9
183.13834	2.3
194.05750	1.9
195.06557	28.3
196.06923	1.0
199.09790	0.7
207.10233	1.3
209.08168	3.9
209.11771	6.3
211.13336	4.8
212.13800	0.8
223.13313	0.9
225.11290	3.9
227.12794	1.9
235.08257	1.2
253.04805	0.8
253.09264	1.2
293.21234	2.7
297.13519	3.8
301.16553	1.4
315.14484	100.0
316.14777	5.2
329.16315	1.0
342.10986	3.2
357.13425	47.7
358.13715	3.1
397.13574	2.1
405.15558	10.9
406.15558	1.0
415.14578	1.4
415.90875	0.8
500.72598	0.7
505.22714	1.7
655.27533	15.8
656.27325	1.1
703.29877	15.6
704.30328	2.4
747.34680	1.2
865.41211	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	865.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02248	1.0
65.00175	1.0
69.43171	8.8
71.01243	5.1
73.02856	1.2
78.59686	0.9
83.01245	1.5
85.02805	2.3
87.00740	1.5
89.02317	2.9
93.03363	1.1
96.95930	1.7
99.00774	1.4
101.02348	1.8
107.01228	2.2
107.04934	2.0
109.02823	2.6
112.35103	1.0
113.02303	2.3
115.00278	1.1
121.02821	2.7
125.02302	1.1
137.02287	1.1
151.00313	11.9
161.02356	1.1
163.00298	3.2
165.01808	1.2
165.05528	1.3
169.01288	1.7
173.04359	0.9
174.61700	0.9
175.02371	1.2
175.03897	1.9
178.99840	4.9
179.03381	1.3
181.04906	1.2
183.04208	1.0
189.01889	1.0
193.04953	1.6
209.90340	0.9
211.03938	1.4
216.12877	1.0
226.02744	1.2
227.03403	1.6
243.02972	6.1
245.04390	1.2
254.02168	1.5
255.02966	15.2
256.03333	1.2
271.02490	26.8
272.03064	2.7
273.04105	1.5
299.01761	2.0
300.02744	58.1
301.03500	49.6
302.03699	4.1
357.99652	1.1
417.17691	2.4
447.09314	100.0
448.09705	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	865.277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	0.4
69.75053	2.9
71.01235	1.5
79.15553	0.4
83.01276	0.8
85.02767	0.4
101.02301	0.6
107.01265	1.1
108.02032	0.9
109.02805	1.0
113.02313	0.7
121.02831	1.2
122.61512	0.5
148.01611	1.0
149.02277	0.5
149.42000	0.4
151.00278	6.3
163.00279	1.7
178.99780	2.9
211.03934	0.6
227.03474	2.3
243.02980	4.7
244.03368	0.6
245.04515	0.7
254.02214	1.6
255.02989	15.0
256.03384	0.6
271.02475	30.2
272.02954	3.1
273.04025	1.0
283.02237	0.7
284.03207	0.9
285.03943	0.7
299.01974	0.6
300.02737	64.1
301.03473	26.8
302.03851	1.9
397.68024	0.5
401.63049	0.4
417.08356	1.2
447.09314	100.0
448.09598	9.2
640.54816	0.5
686.10339	0.5
866.15631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	0.9
69.58006	6.2
71.01259	2.9
85.02843	1.6
89.02338	1.9
92.04346	0.8
92.27217	0.8
96.95899	1.1
98.19799	1.5
101.02320	1.2
103.47747	0.8
104.78052	0.7
107.01258	1.4
108.02071	1.6
109.02872	1.7
115.00204	0.9
121.02911	1.8
125.02329	1.0
148.01610	0.8
149.02403	0.9
151.00264	10.6
152.00996	0.8
153.01831	0.9
163.00331	2.4
163.03883	1.0
165.01866	1.1
167.39975	0.8
175.03871	0.9
178.99791	5.9
181.04976	0.9
195.06662	1.0
201.77528	0.7
203.99464	0.9
211.03981	1.3
215.03261	0.8
227.03418	1.4
229.04984	1.1
243.02956	3.7
245.04590	1.0
254.02412	1.1
255.03020	15.0
264.69104	0.8
266.02451	0.8
271.02499	27.2
272.03021	2.3
273.03839	0.8
283.02725	1.7
299.01898	1.0
300.02777	65.9
301.03519	48.2
302.03934	3.2
417.17706	2.7
428.95554	0.9
447.09335	100.0
448.09720	8.7
570.33112	1.0
572.89038	0.9
773.21454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48933	3.5
69.49357	5.9
69.59904	1.1
71.01254	2.0
72.83578	1.0
83.01224	1.3
85.02831	2.0
101.02315	1.5
107.01264	2.1
109.02837	1.6
121.02843	1.8
128.30371	1.2
133.02858	1.1
151.00287	8.2
163.00253	1.9
178.99808	2.5
211.03859	1.7
227.03418	3.7
243.02977	5.8
255.02975	19.2
271.02472	34.9
272.03030	2.5
284.03305	2.6
285.04031	10.3
300.02756	58.0
301.03503	26.8
302.03802	2.6
303.69894	1.2
337.43521	1.2
367.85605	1.1
417.08365	1.9
447.09317	100.0
448.09641	8.3
815.06354	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37281	1.5
69.37682	7.1
81.03328	1.1
83.01259	3.4
85.02839	0.9
87.55858	0.8
89.03867	0.8
91.01741	1.0
93.03345	1.2
95.04940	0.9
97.02824	1.2
107.04881	1.8
109.02842	12.0
117.03351	1.5
121.02882	3.9
122.03611	0.9
123.04413	8.2
125.02338	100.0
126.02631	2.5
130.04701	0.8
131.04903	1.6
133.02837	5.3
135.04372	2.3
137.02356	14.7
139.03923	1.6
146.03712	1.7
147.04395	1.4
149.02336	3.3
150.03091	2.0
151.03926	13.4
155.24326	0.7
159.04416	3.0
161.02348	32.8
161.05930	2.0
162.02998	1.8
163.00328	3.9
163.03914	4.1
164.01064	6.7
165.01851	6.4
167.03372	1.9
171.33176	0.8
173.05948	1.7
175.03915	14.7
175.07576	1.5
177.01855	11.9
177.05478	1.8
179.03554	1.7
185.06143	0.9
187.03905	4.7
189.01872	1.9
191.03471	0.8
193.04926	1.7
199.03879	2.9
200.04662	0.9
201.01843	1.1
201.05525	2.4
203.03442	2.6
203.07097	4.3
205.01418	1.8
205.05003	4.1
211.04007	1.1
213.05389	0.9
217.05066	5.9
219.02921	3.4
219.06554	1.2
221.08174	1.2
227.03523	1.6
228.04410	1.1
229.04996	2.3
231.02852	1.1
243.02972	16.7
243.05594	0.9
243.06645	2.0
244.03313	1.3
245.04497	10.4
245.08232	4.7
246.04782	1.1
255.02913	6.0
256.03735	2.8
257.04541	0.9
261.04050	7.1
269.04529	2.7
273.03995	3.3
281.04535	3.4
283.02469	1.8
285.04013	2.6
287.05615	35.0
288.06018	2.0
289.07217	25.4
290.07608	1.1
297.03912	1.0
299.05734	4.6
301.03641	1.0
308.03510	1.0
339.08899	1.5
341.06674	1.4
356.95123	0.9
371.09848	2.1
380.72391	1.0
381.09866	1.8
395.07541	1.4
405.06131	5.8
407.07718	26.9
413.08710	8.4
423.07288	4.2
425.08731	14.4
426.09152	1.3
435.06921	1.0
449.08627	6.6
451.10379	8.1
458.68344	0.9
467.09155	1.0
474.03979	1.0
525.08014	2.6
533.10693	1.0
543.09491	5.0
561.10052	2.3
569.10779	1.7
575.11816	4.6
576.13116	1.1
577.13458	11.8
578.13623	1.3
587.11725	3.2
616.11646	0.9
695.13812	6.4
696.14777	1.1
713.15259	3.2
739.17212	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	863.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	1.3
71.01257	18.2
71.52009	0.3
72.99191	1.5
73.02827	2.2
75.00764	0.4
80.02544	1.3
80.96375	0.5
81.03333	1.9
83.01270	1.8
83.04908	5.3
84.02025	0.6
85.02831	3.7
87.00758	4.6
89.02321	14.2
95.01266	1.5
95.04926	0.5
97.02826	2.6
99.00749	1.2
101.02326	13.4
109.02816	0.3
109.06448	0.4
111.00790	0.3
111.04399	0.5
113.02329	7.6
119.03398	4.2
125.02341	5.6
125.05910	0.4
131.03392	0.6
135.08122	0.7
139.03920	0.8
141.01849	0.5
143.03426	2.9
145.04903	0.3
147.11752	0.3
149.04506	0.4
161.04488	3.7
162.25420	0.3
163.11195	4.5
165.12781	2.1
167.03375	0.4
179.05542	4.2
181.12247	0.7
191.10698	1.1
199.05966	0.7
209.11775	100.0
210.12131	5.6
217.07094	0.4
221.06549	1.4
221.23584	0.3
227.12833	12.3
228.13316	0.6
235.08194	5.5
236.08588	0.3
245.06683	0.3
251.12904	0.6
253.09233	1.1
255.23279	54.5
256.23666	4.7
263.07809	0.6
269.24832	0.8
277.09335	0.3
287.07721	1.9
297.24344	0.3
305.08813	2.0
323.09695	1.1
339.69775	0.4
379.12457	8.5
380.12790	0.7
397.13501	40.7
398.13846	3.7
415.14590	8.0
416.14661	0.4
586.13989	0.3
607.26361	0.8
635.36194	0.4
653.37628	1.3
863.48834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.5
71.00894	1.7
71.01257	23.5
72.99189	2.2
73.02822	3.6
80.96394	3.7
83.01274	1.9
85.02816	5.7
87.00760	3.7
89.01819	1.9
89.02333	22.6
97.02840	3.3
97.06438	1.1
99.00747	1.5
101.02326	16.3
101.02936	1.8
109.78541	1.0
111.08011	1.1
113.02346	9.1
113.82362	1.1
119.03387	4.8
125.02341	3.7
143.03360	2.3
144.50095	1.0
161.04424	2.5
165.12753	8.6
175.35623	1.2
179.05527	2.8
183.13840	52.5
184.14194	2.9
199.09723	1.5
199.13321	1.3
209.11761	2.8
218.69804	1.0
221.06593	2.1
225.00803	1.4
227.12859	4.6
235.08182	3.4
245.29770	1.0
255.23276	70.5
256.23605	7.3
283.26352	1.3
303.88065	1.2
379.12473	1.9
397.13449	13.5
398.14139	1.4
415.14487	3.2
430.97125	1.2
557.19525	1.3
625.27191	1.3
797.23022	1.2
863.50037	100.0
864.50305	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	863.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22427	46.4
78.95779	100.0
96.96854	19.3
98.20613	5.9
105.43326	4.2
152.99506	17.1
197.11847	7.9
211.13391	5.1
217.00201	7.5
241.01173	19.4
255.23282	34.3
256.23676	7.1
291.19751	6.7
309.20889	7.2
451.61890	4.4
532.98291	5.2
863.49188	84.8
864.50293	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	863.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80997	0.4
67.01751	0.4
69.03330	1.4
71.01260	18.8
72.99185	1.8
73.02820	2.6
78.95757	0.5
80.02555	1.1
80.96394	0.5
81.03333	1.9
83.01284	2.2
83.04907	5.0
84.02029	1.1
85.02837	3.9
87.00761	4.3
89.02325	14.9
95.01259	1.6
95.04927	0.5
97.02828	3.1
99.00769	1.1
101.02332	13.8
102.02671	0.4
109.02788	0.4
111.04394	0.9
113.02345	7.5
119.03416	4.1
125.02351	6.6
131.03391	0.9
135.07983	0.5
139.03932	0.5
143.03419	3.2
143.04361	0.6
145.04901	0.5
161.04486	3.4
163.11235	3.9
164.40254	0.5
165.12782	2.3
179.05534	3.7
184.12411	0.4
191.10710	1.3
199.13182	0.5
209.11786	100.0
210.12103	4.9
217.07138	1.0
221.06612	1.0
225.11203	0.7
227.12859	14.9
228.13156	1.0
235.08188	4.7
253.09381	1.0
255.23285	52.1
256.23608	3.6
257.37021	0.4
269.24921	0.8
287.07724	1.9
297.69064	0.4
305.08807	1.5
323.10141	1.1
361.11450	0.5
379.12479	6.3
397.13531	36.4
398.13879	2.8
415.14636	8.5
416.14822	0.9
494.21713	0.5
603.01837	0.5
625.26483	0.5
653.37579	1.0
657.96338	0.5
863.49866	0.8
893.66071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.501
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60985	0.3
68.99679	0.5
69.03347	1.1
71.01256	16.0
71.04798	0.3
71.35107	0.6
72.01588	0.4
72.99194	1.8
73.02822	2.9
73.40264	0.3
73.61060	0.4
78.95798	0.5
80.02555	1.0
80.96431	0.4
81.03322	1.6
83.01256	2.0
83.04905	5.3
84.02045	1.2
85.02821	4.1
85.99990	0.4
87.00758	4.0
89.02320	15.8
91.03915	0.5
93.03367	0.3
95.01268	1.8
95.04935	0.6
97.02842	2.7
99.00779	0.8
101.02330	14.0
101.03006	0.7
109.06503	0.4
111.00839	0.3
111.04401	0.4
113.02343	7.7
113.03077	0.7
119.03389	3.8
125.02337	6.0
125.05947	0.6
128.00919	0.4
131.03366	0.5
135.08072	0.8
139.03899	0.8
143.03410	2.4
145.04973	0.4
149.04562	0.5
161.04475	3.9
163.11237	3.4
165.12772	2.6
167.03494	0.6
179.03311	0.3
179.05540	3.5
185.04411	0.3
191.10707	0.9
199.05994	0.4
207.10286	0.4
209.11778	100.0
210.12125	5.6
217.07056	0.7
221.06551	1.1
227.12842	10.8
228.13216	0.6
235.08249	6.0
251.13005	0.4
253.09209	0.8
255.23276	52.4
256.23608	4.1
259.08167	0.5
269.24823	0.8
287.07739	1.2
305.08789	1.7
323.09958	1.0
374.88251	0.4
379.12439	5.9
380.12717	0.5
397.13519	37.5
398.13861	3.1
415.14539	8.0
416.14948	0.6
589.24188	0.5
653.37207	1.0
863.48077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96103	1.4
69.54604	9.6
71.01253	10.3
73.02805	1.9
78.95781	9.3
78.98461	9.4
79.95612	27.2
80.96392	100.0
85.02821	4.4
87.00739	4.4
87.77765	1.5
94.80831	1.5
94.97964	24.5
96.96784	1.7
97.02833	2.6
101.02312	2.2
106.97961	3.1
111.30695	1.3
122.96671	1.2
122.97476	5.6
125.02326	3.8
134.97479	6.4
136.99007	2.6
148.99023	7.5
152.98518	9.1
164.98563	16.3
206.99643	4.7
224.98683	1.8
225.00746	25.5
241.01097	3.9
255.23282	7.4
283.05035	1.6
326.64151	1.3
387.93143	1.3
528.72076	1.6
537.27954	2.0
863.48370	92.3
864.48718	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	863.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50555	15.5
77.11510	1.8
78.46436	1.6
78.95782	73.6
79.95605	6.5
80.96397	11.7
85.08068	1.7
94.97959	1.7
95.02325	1.6
96.96842	12.1
98.20527	2.6
98.30196	1.6
116.98303	1.7
122.35213	1.7
150.60979	1.9
152.99489	13.6
164.98589	1.8
168.73061	2.0
194.79150	1.8
197.11732	6.5
208.88025	1.9
211.13385	2.2
223.00067	6.0
225.00902	3.7
241.01215	25.1
243.12564	2.5
255.23271	40.8
259.02231	2.3
261.58270	1.7
291.19720	7.6
309.20697	4.0
391.22861	4.6
445.20236	2.4
504.12723	2.5
553.28046	2.8
777.41833	2.3
863.49231	100.0
864.49146	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	863.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	5.2
69.24125	17.9
71.01262	14.5
72.99183	7.0
75.00757	3.0
78.95782	5.1
80.25439	1.5
83.01260	2.7
85.02828	4.9
87.00771	7.0
88.98697	2.6
89.02312	5.7
92.04933	1.7
96.95915	2.2
96.96789	1.8
99.00759	3.7
101.02331	6.4
101.02920	1.5
109.37312	1.5
112.98705	2.2
113.02345	3.7
115.00260	6.3
135.02893	3.8
136.03934	2.0
142.99750	9.1
147.35956	1.4
165.12773	7.7
171.10182	1.7
173.00841	2.9
174.01610	11.6
175.02406	13.3
183.13852	72.2
184.14215	3.8
185.13028	1.4
209.11760	5.8
211.13361	56.9
212.13693	2.7
223.13324	3.7
225.83383	1.5
227.12767	5.4
235.08069	2.5
250.34430	1.9
253.09322	3.5
263.12778	2.4
447.22067	1.6
463.22403	1.6
525.31195	1.7
620.59155	1.7
630.19098	1.5
657.34973	100.0
658.35266	14.5
713.33801	6.1
727.36719	2.3
731.35272	2.2
753.32983	2.7
813.35431	16.1
814.35925	2.6
863.46899	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	863.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21515	0.8
69.23042	4.1
69.23461	7.1
71.01260	18.9
72.99188	10.5
73.02819	1.4
75.00761	3.2
83.01265	4.0
83.04913	4.8
85.02827	2.7
87.00754	9.8
89.02318	3.9
95.04898	1.0
96.95870	1.4
99.00777	7.5
101.02332	4.4
111.00761	3.7
112.98701	19.7
113.02330	3.1
113.99479	1.2
115.00266	17.0
121.44173	1.4
122.18314	0.9
124.98713	3.4
135.02876	1.5
142.99780	32.4
145.01320	1.5
156.00591	2.4
161.04477	1.8
163.11198	3.3
165.12802	2.4
173.00862	8.9
174.01628	42.1
174.03130	2.1
175.02403	26.4
176.02795	0.9
176.04353	1.1
183.13760	4.5
193.12267	1.6
194.46518	0.8
207.13988	0.9
209.11783	100.0
210.12102	6.3
211.13348	86.8
212.13788	4.6
212.83492	0.8
223.13347	1.5
227.12860	17.8
233.11772	1.3
235.08153	4.8
237.11267	1.4
237.15018	1.9
253.09280	9.8
263.12906	3.4
267.07593	1.0
343.19836	1.2
343.68756	1.0
445.15445	1.0
445.20941	4.0
447.22388	10.1
489.91592	1.2
531.85101	1.1
621.32733	2.6
639.34100	4.4
657.35315	1.1
695.32745	2.7
709.34985	1.8
713.33911	4.0
727.35400	1.5
745.35901	2.1
753.33392	1.5
763.36786	1.3
771.34570	2.1
785.35510	4.3
803.37061	2.3
845.37543	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	863.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45396	1.3
61.98704	2.7
64.49287	1.3
68.99712	1.4
71.01247	15.8
72.99174	6.2
75.00745	16.9
78.95782	1.4
83.01248	3.0
83.93366	1.3
85.02802	4.0
87.00742	7.5
89.02330	8.5
92.04935	2.1
95.04916	1.6
99.00771	4.3
101.02320	5.7
111.00806	1.7
112.98701	1.7
113.02323	5.1
115.00257	5.7
117.01849	1.5
119.03387	1.6
125.02273	1.5
127.60567	1.3
135.02888	40.8
136.03969	3.2
142.99744	8.2
143.03484	1.3
145.01329	1.6
161.04462	2.5
165.12773	9.1
173.00789	1.8
174.01630	11.4
175.02344	9.3
183.13834	77.9
184.14185	2.2
193.12251	2.1
195.13724	1.5
209.11769	5.8
211.13345	93.0
211.32637	1.3
212.13654	5.5
223.13359	3.2
227.12892	4.8
235.08170	1.7
253.09344	6.6
263.12872	2.0
447.22470	3.9
463.21829	1.8
657.34918	100.0
658.35272	15.7
713.33881	7.5
731.35504	2.6
751.34735	2.3
753.33435	2.4
813.35846	13.7
814.35583	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	863.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	3.1
69.94247	6.6
71.01259	16.2
72.99200	6.5
75.00745	9.6
78.95805	2.3
82.60194	1.1
83.01265	3.1
83.04907	3.1
83.43128	1.0
85.02841	4.0
87.00747	6.6
89.02332	6.1
95.01276	1.4
96.95883	1.4
99.00749	2.8
101.02326	6.9
111.08024	2.1
112.98740	3.5
113.02341	3.5
115.00263	7.8
119.03413	1.4
121.02840	1.8
131.03398	1.2
135.02896	14.4
136.03960	1.4
142.99757	9.8
151.00281	1.4
161.04474	2.5
165.12805	7.4
171.10191	2.3
173.00818	2.0
174.01639	12.8
175.02408	9.1
183.13846	87.1
184.14201	4.5
209.11813	18.2
211.13353	74.6
211.15395	2.2
212.13666	3.8
227.12877	7.6
235.08182	2.9
253.09354	6.2
263.12994	1.2
445.20901	1.9
447.22620	2.2
462.89423	1.2
499.21545	1.5
657.34924	100.0
658.35138	12.7
695.33429	1.8
713.34174	4.9
739.36365	1.5
767.87793	1.4
785.36603	1.6
813.35614	9.9
831.37347	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.8
71.01254	24.2
72.99181	7.9
73.02811	3.3
75.00750	16.5
80.64497	1.3
83.01275	3.2
85.02827	18.4
87.00756	6.9
89.02315	3.9
92.23450	1.0
95.01241	4.0
96.95881	1.6
99.00769	9.8
101.02316	5.2
111.00744	1.9
112.01554	1.8
113.02338	15.6
115.00266	1.6
125.02405	1.6
129.01814	1.4
157.01323	1.3
175.02408	1.8
175.03798	1.6
181.05836	1.3
217.50459	1.1
229.25244	1.4
249.06068	5.8
258.44550	1.2
269.21173	2.5
287.22345	13.2
431.26657	4.2
449.27600	12.8
593.31732	2.4
594.16815	1.2
611.32965	10.8
612.33276	1.6
812.23773	1.7
861.39716	100.0
862.39984	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	861.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38974	0.9
61.98684	2.0
69.03330	2.9
71.01257	22.3
71.58195	1.7
72.99190	2.8
73.02832	3.9
75.28692	0.9
78.95785	2.2
81.03349	1.6
83.01304	1.4
83.04905	1.1
85.02827	4.9
87.00750	6.6
88.98687	5.1
89.02322	20.2
95.01257	1.4
96.95876	1.1
97.02834	8.2
99.00783	1.7
101.02322	13.8
104.58634	0.9
105.01812	1.1
111.08048	5.1
113.02334	9.3
119.03390	5.1
125.02367	7.0
125.09636	2.4
127.07554	1.0
127.11166	1.9
143.03398	3.3
161.04465	3.5
165.12755	1.9
167.03487	1.0
169.12296	2.7
171.10193	100.0
172.10535	3.4
179.05531	5.8
181.12239	1.4
181.69585	1.0
193.12355	1.5
197.11775	26.0
199.13353	1.7
209.11826	3.2
211.13292	4.7
221.06581	2.4
227.12823	3.0
235.08211	6.1
247.20729	2.2
253.09215	1.4
263.20065	1.4
273.18588	1.6
287.07709	1.9
291.19684	29.9
292.20084	2.5
305.08810	2.2
309.20724	94.6
310.21103	7.7
323.09778	1.6
332.84497	1.1
379.12445	4.3
397.13522	40.5
398.13861	4.8
408.45810	1.0
415.14645	16.4
569.24170	2.4
707.34753	2.3
861.44348	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	859.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	28.3
65.67225	12.1
70.77339	36.0
71.01247	19.6
85.02840	13.9
98.41212	11.7
98.64115	11.1
100.73824	11.7
103.00272	20.7
109.81556	10.9
116.92745	25.5
119.81776	11.6
120.35843	11.6
154.07234	10.2
171.10161	29.4
174.01558	11.6
208.40324	11.2
209.11778	11.9
211.13385	19.3
227.17136	12.0
235.08136	17.8
253.09357	36.0
255.23323	28.8
277.21750	84.7
309.20734	25.1
327.21738	100.0
545.29956	18.9
563.30908	20.1
786.53070	13.3
859.49030	20.3
860.28748	14.5
865.51221	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	859.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73370	2.3
71.01247	8.4
73.02795	2.6
78.95771	3.6
78.98479	9.5
79.95611	41.2
80.96395	100.0
83.14464	2.5
85.02829	3.8
94.97964	22.4
98.19821	5.6
101.02333	3.0
122.97452	5.8
125.02340	2.7
134.97467	6.9
148.99005	6.0
152.98520	6.9
164.98514	16.8
166.09969	2.6
206.99655	4.6
209.03229	2.4
225.00725	27.1
265.72314	2.6
283.26392	3.7
340.86459	2.7
345.18884	2.9
406.09894	3.2
461.34708	2.8
493.91458	2.7
533.14282	2.6
541.04523	2.9
634.07574	2.6
859.52441	97.9
860.53754	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	859.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	1.3
71.01250	2.4
73.02817	0.9
81.03340	0.7
83.04906	0.5
84.18074	0.4
85.02812	1.3
87.00728	1.8
93.02757	1.2
93.03338	18.5
101.02303	0.9
109.02767	0.6
111.04395	3.6
113.02372	1.0
117.03338	2.0
119.04912	8.4
121.46339	0.5
125.54503	0.6
127.03881	0.9
137.02350	10.8
145.02840	10.5
146.03185	0.5
155.03392	3.8
155.79865	0.5
162.61903	0.5
163.03920	9.6
173.04466	55.4
174.04819	2.2
187.13284	0.6
191.05550	15.0
233.06630	100.0
234.06927	3.9
319.08200	14.9
320.08911	1.1
337.09293	3.4
349.18649	2.1
379.10379	14.8
379.15308	0.5
380.04843	0.6
380.10052	0.7
391.19775	2.1
477.47968	0.6
548.28760	0.7
873.38300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.267
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02285	1.4
65.00194	2.4
68.47049	0.4
69.24487	1.3
69.24895	3.8
70.25959	0.4
71.01250	3.7
72.99203	0.9
73.02831	1.2
74.02312	0.5
78.95814	1.0
81.03343	0.5
83.01268	2.6
85.02824	2.1
87.00789	1.3
89.02347	1.7
93.03370	1.4
94.12453	0.4
95.01291	0.5
96.95889	8.6
96.96841	0.6
97.36697	0.4
98.19791	0.6
99.00777	1.2
101.02330	2.3
107.00605	0.6
107.01268	4.1
109.02840	2.8
109.37030	0.5
112.67759	0.4
113.02329	1.9
116.92831	0.4
119.01266	0.5
119.04948	0.7
121.02839	3.0
123.04454	1.0
124.01603	0.6
125.02320	2.5
132.02084	1.0
134.03645	2.0
135.00775	0.6
137.02353	1.0
143.03424	0.5
148.01659	0.7
149.02361	2.6
150.04140	0.6
151.00281	17.1
151.03935	1.0
152.00893	0.6
153.01855	1.4
158.60593	0.4
159.04408	0.9
160.01575	2.5
160.05260	0.5
161.02370	1.1
161.04398	0.5
161.06105	0.6
162.03392	0.4
163.00304	1.7
163.03984	1.3
164.01073	0.7
164.04698	1.4
165.01892	1.0
165.05545	0.7
169.01372	2.1
175.00259	1.4
175.03929	3.2
175.07610	0.8
175.76311	0.5
178.98216	0.6
178.99803	9.1
179.07097	0.5
180.00192	0.6
185.06133	0.6
187.03944	0.7
187.11230	0.8
190.02629	3.8
191.03401	0.6
192.00696	0.4
193.01370	0.9
193.04955	1.4
195.02882	0.5
195.06514	0.5
199.03964	1.4
201.05492	0.7
203.03543	0.5
205.05087	3.2
211.03960	0.9
215.03510	0.7
223.06081	1.5
226.02754	2.6
227.03442	2.5
229.05061	0.6
243.02985	5.9
243.11314	0.5
245.04558	0.8
254.02219	2.3
255.02989	4.7
256.03574	0.5
267.07312	0.7
271.02481	36.2
272.02966	2.8
283.02417	0.9
284.03268	1.4
285.04083	3.0
287.22366	1.2
299.01978	18.7
300.02747	38.6
301.03528	100.0
302.03873	6.9
313.03580	1.0
315.14474	0.5
329.13980	1.0
337.08823	0.6
341.10867	1.8
342.79486	0.5
343.04483	0.8
367.10046	0.5
411.16830	2.1
431.26733	0.7
447.09326	29.9
448.09671	3.2
449.27502	2.2
462.08530	0.9
463.08817	1.5
491.28546	2.6
557.94751	0.6
609.14618	1.9
651.20508	1.0
653.18542	1.4
713.20905	13.4
714.21002	2.3
797.26855	0.8
799.24677	1.8
829.29669	2.1
841.26447	0.7
852.95166	0.5
859.26611	31.1
860.26947	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	857.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76376	0.5
59.93223	0.4
71.01260	4.5
71.57686	0.3
72.99192	2.4
73.02831	1.5
75.00755	1.3
75.14323	0.4
82.98650	0.4
83.01258	0.6
85.02835	3.4
87.00744	1.3
89.02341	1.3
89.03857	1.5
91.05399	0.5
93.03348	2.0
95.01254	0.6
96.95909	2.1
99.00774	1.7
101.02328	1.5
103.88073	0.5
109.02834	0.9
110.90528	0.4
113.02328	2.9
116.92712	0.5
117.03363	4.5
119.01275	0.9
119.04939	2.0
121.02849	14.3
125.02348	0.9
132.02092	3.0
133.01457	1.1
133.02759	0.5
134.03644	45.7
135.04005	1.6
136.01566	10.1
137.02377	2.9
139.03917	0.7
139.11200	1.0
147.00748	0.5
147.04440	4.0
149.02359	71.8
149.05959	4.1
150.02782	1.7
150.04153	1.5
151.00269	1.0
151.02739	0.4
151.03911	10.3
152.01059	1.6
156.76010	0.5
159.04488	0.6
160.01601	5.4
161.02126	0.6
162.00142	0.4
163.03900	3.2
164.04713	49.4
165.01860	1.6
165.05103	2.1
166.02618	1.5
169.05043	1.0
175.00275	4.0
175.02480	0.8
175.03915	8.1
176.04579	1.1
178.02611	4.6
179.03267	1.4
179.07048	4.4
181.05057	1.5
183.10204	1.8
190.02678	6.8
191.05522	0.7
191.07085	1.2
193.01428	3.0
193.05009	52.3
194.05400	2.5
205.05013	11.8
208.03725	7.0
209.11777	1.0
220.03793	0.5
223.06084	100.0
224.06412	5.0
235.06085	1.4
246.59198	0.5
249.06226	0.8
254.81233	0.4
265.07233	0.5
267.07339	2.4
267.09988	0.5
317.87686	0.5
327.12384	0.6
329.14053	0.9
337.08954	0.6
339.12457	1.3
355.64822	0.6
357.13382	5.3
369.13422	0.8
379.98206	0.5
387.14621	1.7
531.15106	0.6
532.15143	1.3
533.15625	1.0
605.22687	1.3
615.20929	1.0
623.22583	0.5
624.23596	0.6
633.21796	2.7
634.22406	0.8
640.88922	0.6
651.22705	1.3
653.24652	0.6
663.22766	1.3
813.39093	0.9
857.28186	4.4
858.29510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02264	1.0
65.00203	1.7
71.01275	6.0
71.21410	1.1
72.99188	1.5
73.02811	1.6
83.01283	2.9
85.02842	3.7
87.00777	1.3
89.02319	2.0
96.95351	0.8
96.95907	5.6
97.02902	1.1
98.20726	1.5
99.00806	1.5
101.02347	2.6
107.01253	5.0
108.30456	0.9
109.02842	5.7
113.02303	2.4
116.92802	1.1
117.03380	0.9
119.04920	1.3
121.02863	3.6
123.04433	2.0
125.02394	1.1
132.02113	1.0
134.03651	3.6
135.04460	1.9
147.00771	1.2
149.02318	1.9
151.00284	15.5
151.03865	1.1
152.01050	1.7
153.01855	4.7
153.05537	1.6
160.01627	6.5
163.00323	1.2
163.03966	1.1
164.04742	1.0
167.01987	1.3
169.01332	2.4
175.00314	1.8
175.03943	7.5
177.05441	1.2
178.99815	7.2
190.02681	3.0
193.05019	3.7
205.05025	3.8
213.02057	1.1
226.02673	1.3
226.71848	1.1
227.03500	2.7
230.21321	1.2
243.02928	4.4
254.02104	1.1
255.03040	4.1
264.09622	0.9
267.07388	1.4
271.02490	32.8
272.03009	4.3
283.02521	1.3
284.03394	1.1
285.04138	2.9
299.01965	17.7
300.00082	0.6
300.02756	35.3
301.03543	100.0
302.03827	5.9
302.23474	1.0
313.03458	1.1
329.13690	1.4
337.09216	2.3
353.98093	1.4
367.10510	1.7
411.16901	2.0
447.09354	29.1
448.09708	3.8
449.27582	2.4
477.89908	1.1
491.12280	4.0
491.28665	2.3
521.16913	1.1
609.15204	1.8
695.20154	1.3
713.20966	14.2
714.21033	1.9
797.26746	1.1
829.29315	3.0
859.26538	28.4
860.26868	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01584	0.6
69.03336	3.2
69.54025	3.2
71.01263	8.1
73.02838	1.4
74.70323	0.5
83.01283	1.9
83.04926	1.2
83.21174	0.6
84.02087	0.6
85.02831	9.5
85.10653	0.5
87.00764	1.6
89.02335	5.1
91.52887	0.5
95.01247	0.6
95.04894	0.6
96.95914	1.6
97.02827	6.4
97.06485	2.7
98.19881	1.2
99.00788	0.9
101.02312	6.5
109.06507	0.8
111.08063	3.4
113.02344	3.8
119.03426	1.6
119.08602	1.0
123.08015	1.0
125.09635	2.4
127.11188	2.1
137.09605	3.2
145.05008	0.7
148.78001	0.6
161.04491	2.4
161.71550	0.5
163.11230	1.6
165.12779	3.5
167.14301	0.9
169.12286	2.3
171.10202	27.6
172.10571	1.6
179.05537	0.9
181.12311	1.3
183.13832	3.1
185.11754	0.9
193.12265	1.4
193.16016	0.7
195.13731	0.6
197.11778	19.8
198.12271	0.7
199.13335	1.5
201.11301	1.7
203.10681	0.9
209.11751	3.0
211.13351	18.4
212.13725	1.2
221.11792	2.4
223.13417	1.0
227.12883	2.9
229.14449	9.7
235.08238	9.8
236.08597	0.9
239.12898	2.3
247.20621	2.4
253.09282	35.2
254.09576	1.0
263.20190	1.2
273.18570	1.7
291.19684	32.5
292.20001	3.3
293.21271	0.8
309.20731	92.3
310.21082	7.9
317.72736	0.6
327.21777	100.0
328.22122	9.0
391.22202	0.7
459.57620	0.6
545.29834	3.8
563.30786	5.0
564.30835	1.4
619.42242	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	855.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	15.3
69.03326	9.4
70.54902	13.8
70.79472	5.1
71.01255	100.0
72.99186	9.4
73.02825	28.2
75.00761	14.0
79.95620	6.1
80.96387	17.1
83.01265	11.5
85.02822	50.8
87.00754	15.0
89.02324	40.5
90.24677	5.5
94.97981	8.4
95.12495	5.5
96.95906	12.8
99.00764	12.7
101.02338	41.6
102.74728	6.5
103.03911	9.4
109.02830	9.4
111.04404	37.1
111.49467	5.3
113.02315	22.3
119.03417	6.6
119.08562	78.8
121.39256	5.5
125.02293	10.2
128.03423	6.9
134.03622	11.7
137.02278	6.4
145.04958	7.9
146.04498	6.4
150.03197	7.0
160.01553	22.6
163.07535	28.8
165.01768	9.6
165.09044	12.0
169.08583	7.9
175.03891	18.8
181.08629	25.0
183.10207	9.8
183.13835	12.8
185.11819	8.9
193.04990	7.2
195.06555	7.9
201.11194	13.1
205.04906	5.6
209.11827	18.6
225.00851	8.5
227.12813	7.3
267.07156	8.1
277.15381	5.4
309.13501	7.5
315.14371	6.7
327.14566	12.7
329.16019	6.7
341.06473	6.1
345.15778	8.2
347.90576	5.6
356.70789	6.6
491.22714	8.5
509.23660	11.9
637.28839	11.5
655.29608	19.9
675.34052	17.2
789.36353	12.6
795.37933	24.8
796.37720	6.8
801.37177	10.5
807.37659	54.2
808.38086	12.1
811.38837	18.2
819.38239	41.7
825.38800	32.7
826.40082	8.1
837.40009	48.4
838.38837	8.0
855.40466	51.5
856.39136	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	855.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98710	25.5
67.41056	3.5
69.03333	14.1
69.31429	37.4
70.11248	3.4
71.01254	100.0
71.36038	3.4
72.99194	18.6
73.02827	24.4
75.00746	9.4
80.96442	3.6
81.03337	15.5
83.01268	15.6
83.04902	7.9
83.27202	3.7
85.02834	46.2
87.00764	12.3
89.02319	39.3
95.01277	8.9
96.95888	14.3
97.02841	5.0
97.06515	6.2
99.00771	15.2
99.04411	7.7
101.02328	39.6
103.03887	8.1
107.08530	5.0
109.02838	8.5
109.06485	12.2
111.04413	64.4
112.98760	4.0
113.02340	28.0
115.00266	4.9
119.03386	15.2
119.08558	98.9
120.08868	5.0
121.10126	6.2
123.04410	5.5
125.05955	8.4
125.09663	9.1
127.03922	8.4
129.01831	4.4
134.03658	10.5
137.09644	5.6
147.04324	4.4
160.01570	10.2
161.09668	5.8
163.07559	33.5
165.05432	4.9
165.09129	11.7
169.08588	11.8
175.03983	7.0
175.07596	7.0
176.04555	4.3
179.10593	3.6
181.08633	40.6
183.10193	18.7
193.05035	7.6
193.08722	7.5
201.11238	5.1
209.11690	8.2
211.13533	5.8
235.06107	3.8
267.07220	3.7
275.14960	5.0
309.13443	17.2
309.20953	3.9
315.14429	5.2
327.14374	22.8
327.21683	7.1
345.15421	19.9
357.40732	3.8
473.21408	5.0
479.22791	4.4
491.22806	4.9
509.23935	6.4
625.28717	10.0
637.28851	12.3
643.29974	12.6
655.29639	23.7
673.30780	22.6
674.30969	5.2
675.33868	7.2
765.33002	4.8
777.36633	7.0
789.36847	22.0
795.37488	25.1
801.36389	11.2
807.38153	55.9
808.38483	11.3
819.38116	38.4
820.37878	9.1
825.39111	52.0
826.39069	12.1
837.39160	71.9
838.40027	19.7
840.07660	4.1
855.40961	39.1
856.40149	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	855.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86714	8.2
64.65392	8.0
69.81573	9.5
71.01260	29.0
72.99212	10.4
75.00724	7.8
85.02824	34.4
87.00736	12.3
89.02285	15.1
96.95873	14.1
99.00765	9.9
99.04340	8.1
101.02371	8.5
110.05991	8.7
113.02334	32.1
122.05987	14.1
134.03633	13.9
134.06020	29.2
134.33743	7.8
136.07536	9.8
137.04688	8.5
140.07060	33.1
142.08400	7.1
145.02907	20.2
149.04874	8.6
152.07060	10.3
160.01521	24.2
160.03925	17.2
161.02293	12.7
161.04744	13.3
162.05531	23.8
163.03886	13.1
164.07121	14.2
166.04982	9.8
167.05833	10.7
175.02400	11.8
175.03873	17.8
176.03374	10.3
182.05229	10.2
191.05548	20.3
193.04988	27.2
204.06590	10.3
211.08725	11.0
212.05994	11.5
225.10196	8.4
230.71417	12.7
239.08345	9.5
245.03082	6.8
245.05756	8.3
252.12729	11.4
253.06172	15.7
253.09778	24.4
255.11272	12.3
261.12485	17.3
266.06955	11.5
267.07584	30.6
267.11252	20.8
268.08426	9.0
268.12112	11.3
271.02814	10.1
279.07526	10.5
280.08539	36.1
281.09341	43.4
283.10983	12.0
285.12454	24.6
295.10876	100.0
296.11636	41.4
297.12289	19.0
300.02826	14.3
303.13565	89.7
327.13470	25.3
339.09961	21.5
371.12509	22.7
438.16830	11.0
465.18967	19.9
557.24152	9.9
583.68054	8.6
601.23151	46.0
633.25659	41.5
663.90479	10.3
708.34149	8.9
805.29413	46.8
806.30640	14.0
823.30725	54.7
824.29486	12.1
837.32178	48.2
855.32300	47.6
856.31311	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	853.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	3.2
68.36900	1.1
69.03323	1.8
69.98659	2.4
69.99052	3.2
71.01246	12.5
71.01548	1.1
71.04900	2.2
72.99207	1.5
73.02823	2.3
78.95782	1.3
80.02543	1.8
80.96397	1.4
81.03326	2.3
83.01262	1.7
83.04904	4.3
84.02036	1.1
85.02823	4.8
87.00746	1.9
89.02320	8.0
93.03371	1.5
95.04926	2.9
96.95889	4.2
97.02845	3.2
97.06487	3.9
98.19761	1.5
99.04413	2.5
99.08029	1.8
101.02316	7.6
109.06503	3.4
111.00758	1.7
111.08060	2.6
113.02336	7.2
113.05965	1.4
113.09604	2.7
115.07495	2.6
119.03424	2.1
121.02843	1.2
125.06006	1.5
125.09624	3.8
127.07539	3.5
127.11152	1.3
135.08026	1.8
137.02304	1.1
137.09549	1.4
139.07535	2.2
141.09152	2.8
151.11218	1.5
153.09128	18.7
155.10689	2.6
161.04526	2.7
163.11206	4.6
165.12759	6.4
167.14320	2.6
169.12299	2.4
171.10181	31.3
177.12486	1.1
178.09920	3.3
179.05551	1.8
181.12277	4.8
183.13826	1.5
185.11768	8.3
191.10667	1.7
191.14320	1.8
193.12253	3.4
195.13875	2.6
197.11774	23.7
209.11774	52.2
210.12164	1.8
211.13319	21.4
221.15450	2.9
227.12895	3.4
235.08234	10.0
235.13403	1.4
235.20621	1.4
236.10536	1.5
238.12112	1.4
245.19078	5.1
247.20575	3.0
253.09274	27.9
263.20142	4.9
273.18521	3.4
279.19589	1.6
281.21140	2.3
289.18082	18.4
291.19699	38.7
292.20114	2.7
297.20712	1.9
307.19162	72.8
308.19608	6.3
309.20724	100.0
310.21094	7.8
324.54816	1.1
325.20190	51.7
326.20575	3.6
327.21762	4.1
450.98935	1.6
457.29666	1.3
460.58398	1.4
474.20953	1.4
514.08551	1.3
515.73688	1.4
525.26733	1.7
527.28546	1.8
543.28076	19.2
544.28571	1.6
545.29449	5.8
561.29169	6.6
585.04779	1.3
693.38727	2.4
698.74469	1.4
699.39374	1.4
766.41693	3.6
817.47559	1.8
835.48401	10.1
853.49823	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	853.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	3.6
69.03321	6.7
70.01730	1.6
71.01258	16.0
71.04903	2.5
73.02807	3.3
80.02564	2.1
81.03361	1.9
83.01266	3.6
83.04909	3.6
85.02827	11.6
87.00755	4.2
89.02312	10.9
92.83492	1.6
95.01261	2.5
95.04915	5.2
96.95911	7.0
97.02837	8.4
97.06482	9.1
99.00766	2.9
101.02326	15.0
105.63574	1.5
109.02806	1.6
109.06492	2.2
109.72850	1.5
111.08073	9.5
113.02312	6.7
115.07542	2.1
119.03385	3.3
119.08554	2.1
123.04391	2.0
123.08087	3.4
125.09651	8.4
127.07555	3.0
127.11205	1.9
135.08083	4.2
137.09666	8.1
153.09131	13.3
155.10783	1.8
161.04471	4.9
162.10297	1.5
163.11229	7.1
165.12778	5.9
169.12286	2.3
171.10197	44.5
172.10600	1.8
177.12837	2.4
178.09869	3.6
181.12289	4.0
183.13817	2.1
185.11752	7.7
191.10812	2.8
191.14316	6.2
193.12263	1.9
197.11783	35.1
199.13329	1.9
207.10268	2.6
209.11777	45.7
210.11984	2.9
211.13387	21.0
212.13715	1.9
221.11830	3.3
225.11267	2.8
227.12785	6.6
229.14429	8.1
235.08231	10.3
239.12950	2.1
245.19086	10.1
247.20926	3.1
253.09285	43.7
254.09717	2.5
263.20178	6.1
273.18668	2.6
281.20953	2.0
289.18097	48.6
290.18369	3.8
291.19681	46.3
292.20093	3.7
293.21265	2.6
307.19171	93.8
308.19507	4.8
309.20715	100.0
310.21036	6.8
325.20209	40.5
326.20230	3.2
327.21765	80.7
328.22073	4.9
332.63745	1.6
525.26862	3.8
543.28113	14.8
545.29779	4.5
561.29059	3.5
565.05652	1.7
609.41901	1.8
617.40552	2.9
766.41144	2.3
835.48145	9.2
853.50696	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	853.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	7.2
69.03326	4.5
70.01770	6.1
71.01260	17.6
71.04906	2.1
72.99192	2.4
73.02821	3.7
73.95092	1.3
75.00757	1.6
75.43278	1.5
78.95744	2.2
80.02542	2.3
83.01259	2.6
83.04896	4.3
83.10993	1.3
85.02815	6.7
87.00734	4.2
89.02331	8.8
91.05469	1.4
93.03328	1.5
96.95895	6.4
97.02819	3.0
97.06467	6.8
99.04426	1.9
101.02331	12.0
109.06499	7.4
111.08046	12.2
112.05146	1.8
113.02335	7.9
119.03416	3.4
125.02334	1.4
125.09618	5.2
127.07523	3.5
127.11158	1.6
134.03635	1.7
135.08067	2.4
137.09630	3.6
139.07475	1.6
139.11246	1.7
146.06195	1.5
151.11180	2.4
153.09126	12.5
153.12758	3.0
157.46272	1.5
161.04436	3.8
163.11172	5.4
165.12740	5.4
169.12190	4.3
171.10187	30.5
178.09962	2.2
181.12207	3.6
183.13840	4.2
185.11703	6.1
191.10605	2.8
191.14365	3.4
193.12198	1.8
197.11768	57.9
198.12141	1.4
199.13351	2.9
208.28284	1.7
209.11798	44.5
210.12070	1.6
211.13356	31.1
227.12866	7.0
229.14375	4.4
235.08214	8.7
235.13348	2.5
238.11955	1.5
239.12936	1.8
242.15813	1.9
245.11969	1.4
245.19078	7.9
249.14893	2.2
253.09293	39.5
254.09828	1.7
263.20105	7.2
271.02249	1.6
273.18576	2.4
289.18130	30.5
290.18372	2.1
291.19656	35.0
292.19980	3.2
293.21240	3.8
307.19162	74.4
308.19388	5.3
309.20718	100.0
310.21088	7.8
325.20187	66.4
326.20477	5.1
327.21759	37.3
328.21921	2.8
525.26556	2.0
543.27985	19.5
545.29736	4.0
561.29510	3.4
602.20831	1.7
755.41650	1.9
766.41803	2.7
835.48199	6.6
836.49091	1.9
853.49939	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	853.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	6.0
62.17348	1.4
65.16872	1.2
68.84871	1.2
69.03336	3.0
70.15385	5.6
71.01254	12.6
71.04903	2.2
73.02838	2.9
78.95781	1.9
79.36146	1.5
80.02565	2.0
83.04903	4.2
85.02830	4.5
87.00778	2.3
89.02338	5.6
95.04910	1.4
96.95886	4.7
97.02821	2.8
97.06472	2.9
98.00130	1.2
98.19971	1.7
99.07984	1.3
100.97803	1.2
101.02319	7.9
109.06500	2.6
112.05169	1.4
113.02341	4.6
119.03451	1.8
123.04353	1.4
123.08073	1.9
123.62848	1.3
125.09633	5.9
127.07545	3.8
127.11203	1.2
133.06451	1.8
134.63159	1.2
135.08029	1.4
137.09616	1.5
141.09036	1.9
153.09108	16.9
161.04477	5.0
163.11166	6.5
165.12752	8.9
171.10201	35.7
177.01863	2.1
178.09911	3.3
179.14308	2.6
181.12267	3.5
183.13765	1.5
185.11723	7.0
191.10751	3.3
191.14351	2.2
193.15907	1.7
197.11757	14.4
207.10080	1.4
209.11772	53.2
210.12122	3.4
211.13351	8.2
223.13435	1.9
226.80148	1.3
227.12924	3.0
235.08134	6.8
237.14905	1.3
238.12233	1.5
245.19066	4.8
247.20680	6.1
253.09218	20.4
254.09688	1.7
263.20258	2.2
271.17056	1.7
273.18558	2.6
289.18118	15.4
291.19662	72.7
292.20053	4.9
307.19156	69.6
308.19543	5.3
309.20709	100.0
310.21124	7.4
325.16620	2.4
325.20227	36.2
326.20413	2.1
327.21655	3.0
525.26752	2.9
527.28735	1.8
528.17786	1.4
543.28003	15.8
561.29401	3.8
611.58612	1.5
766.42017	3.3
817.47491	1.6
835.48584	11.4
836.49841	1.5
853.48676	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	853.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	1.1
62.64650	0.6
69.03323	2.0
71.01262	18.9
71.57669	0.7
71.58031	0.8
72.01553	0.8
72.31231	0.6
72.99184	2.7
73.02815	3.3
75.00749	2.9
80.02532	1.3
81.03352	2.5
83.01251	2.9
83.04907	5.5
84.02048	1.0
84.48055	0.7
85.02842	7.4
87.00742	5.5
89.02319	11.1
93.03349	0.7
95.01256	1.7
96.95897	3.2
97.02838	1.9
99.00765	2.8
101.02319	10.6
109.02840	1.2
113.02325	7.8
119.03403	3.2
119.04887	0.7
125.02332	4.1
125.06006	0.8
125.09576	2.1
127.11211	2.2
128.03415	0.8
132.02936	1.3
134.03612	0.7
135.08009	0.8
137.02365	0.8
137.09644	0.9
139.11147	1.6
142.29178	0.7
143.03430	2.0
143.04492	1.2
144.76118	0.7
150.03192	0.9
160.01608	1.0
161.02373	0.9
161.04494	2.0
163.03900	1.0
163.11261	3.7
165.12772	2.3
171.10136	2.3
175.02400	1.1
175.03947	1.3
177.03325	0.7
179.05556	2.7
181.12273	1.3
183.10202	4.9
191.05560	0.8
191.10744	0.7
195.06566	0.8
201.11272	39.4
202.11604	2.6
209.11783	100.0
210.12082	5.5
211.13370	1.5
221.06471	0.9
225.11342	1.1
227.12852	14.9
228.13234	1.0
229.14345	1.5
235.08292	3.8
246.21062	0.7
253.09393	1.2
267.07144	1.3
270.01492	0.7
272.18481	1.1
288.33197	0.7
305.08975	1.2
306.07703	1.9
307.07813	0.8
323.09720	0.9
339.12378	2.6
379.12430	1.8
393.23007	1.0
397.13504	27.9
398.13824	2.0
415.14581	9.3
419.73224	0.7
459.98636	0.7
523.41296	0.7
581.24506	1.3
589.25555	1.2
599.25812	1.3
607.26105	2.4
809.38330	2.2
852.41418	1.1
853.43060	11.2
854.43231	1.1
875.69073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98684	4.2
64.38841	1.0
67.01751	1.4
67.98571	1.0
68.99689	1.0
69.03328	2.6
71.01260	40.5
71.57657	1.8
72.99185	6.4
73.02823	5.7
75.00756	16.6
83.01266	2.6
83.04909	1.7
85.02830	21.7
87.00765	9.1
89.02319	13.9
89.85397	1.0
95.01279	6.6
99.00755	12.5
101.02335	12.7
103.00247	1.5
109.02840	2.4
113.02338	24.7
115.00231	1.7
115.07549	1.6
117.01865	2.8
119.03370	2.4
119.04903	1.3
125.02349	1.3
127.03881	1.1
127.29693	1.3
129.01868	1.6
131.03371	3.1
134.03545	1.1
143.04604	1.3
145.01355	1.4
156.10263	2.6
157.01346	1.2
158.11749	3.3
160.01538	1.3
161.04474	1.4
165.12735	2.7
171.10199	2.6
175.02402	2.2
179.05673	1.1
183.13800	2.0
185.11775	2.4
188.21216	1.1
201.11241	3.0
205.06989	1.3
207.10207	2.6
209.11810	8.3
210.12090	3.8
211.13351	3.0
225.11229	3.1
227.12770	2.1
249.06119	10.8
250.44843	1.2
267.07184	7.3
293.85098	1.3
309.08237	5.3
327.21384	1.5
397.13519	3.3
450.16580	1.2
797.69598	1.2
834.40546	4.1
852.42279	100.0
853.42474	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	852.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98684	4.2
64.38841	1.0
67.01751	1.4
67.98571	1.0
68.99689	1.0
69.03328	2.6
71.01260	40.5
71.57657	1.8
72.99185	6.4
73.02823	5.7
75.00756	16.6
83.01266	2.6
83.04909	1.7
85.02830	21.7
87.00765	9.1
89.02319	13.9
89.85397	1.0
95.01279	6.6
99.00755	12.5
101.02335	12.7
103.00247	1.5
109.02840	2.4
113.02338	24.7
115.00231	1.7
115.07549	1.6
117.01865	2.8
119.03370	2.4
119.04903	1.3
125.02349	1.3
127.03881	1.1
127.29693	1.3
129.01868	1.6
131.03371	3.1
134.03545	1.1
143.04604	1.3
145.01355	1.4
156.10263	2.6
157.01346	1.2
158.11749	3.3
160.01538	1.3
161.04474	1.4
165.12735	2.7
171.10199	2.6
175.02402	2.2
179.05673	1.1
183.13800	2.0
185.11775	2.4
188.21216	1.1
201.11241	3.0
205.06989	1.3
207.10207	2.6
209.11810	8.3
210.12090	3.8
211.13351	3.0
225.11229	3.1
227.12770	2.1
249.06119	10.8
250.44843	1.2
267.07184	7.3
293.85098	1.3
309.08237	5.3
327.21384	1.5
397.13519	3.3
450.16580	1.2
797.69598	1.2
834.40546	4.1
852.42279	100.0
853.42474	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	851.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.9
62.11508	1.1
65.00179	1.1
71.01247	1.4
71.57835	1.7
80.46593	0.9
83.01283	2.0
85.02841	1.3
85.44860	0.9
87.94308	1.1
107.01283	2.7
109.02828	2.7
119.04926	1.5
121.02871	2.3
125.15023	1.1
139.03886	1.0
148.01566	1.5
151.00282	11.7
163.00281	3.8
163.03885	1.9
165.05464	1.3
169.01324	1.8
175.02298	1.0
178.99817	7.0
190.02592	1.2
190.99881	1.1
222.44235	1.1
227.03450	2.4
229.04994	1.1
243.02975	5.5
245.04535	1.6
255.02992	17.8
256.03372	1.5
271.02502	37.6
272.02948	5.1
273.04013	1.4
283.02414	2.1
299.01953	1.1
300.02765	74.8
301.03513	75.4
302.03824	4.8
370.04123	1.0
375.14905	1.1
433.07761	100.0
434.08051	11.1
535.87286	1.0
824.37048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.9
62.11508	1.1
65.00179	1.1
71.01247	1.4
71.57835	1.7
80.46593	0.9
83.01283	2.0
85.02841	1.3
85.44860	0.9
87.94308	1.1
107.01283	2.7
109.02828	2.7
119.04926	1.5
121.02871	2.3
125.15023	1.1
139.03886	1.0
148.01566	1.5
151.00282	11.7
163.00281	3.8
163.03885	1.9
165.05464	1.3
169.01324	1.8
175.02298	1.0
178.99817	7.0
190.02592	1.2
190.99881	1.1
222.44235	1.1
227.03450	2.4
229.04994	1.1
243.02975	5.5
245.04535	1.6
255.02992	17.8
256.03372	1.5
271.02502	37.6
272.02948	5.1
273.04013	1.4
283.02414	2.1
299.01953	1.1
300.02765	74.8
301.03513	75.4
302.03824	4.8
370.04123	1.0
375.14905	1.1
433.07761	100.0
434.08051	11.1
535.87286	1.0
824.37048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	19.4
65.04456	2.8
71.01270	21.8
71.57587	3.7
73.02831	3.6
78.95774	3.1
85.02810	4.5
89.02306	10.0
97.06466	5.3
101.02319	10.4
113.02332	3.9
120.52465	2.9
136.67162	3.2
143.47223	2.9
151.11188	9.0
169.12296	42.9
197.81720	2.9
221.06392	2.8
255.23341	47.2
256.23535	4.8
397.13467	5.4
432.68793	3.8
731.51392	3.5
849.48572	100.0
850.49249	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	850.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.8
60.22163	0.9
61.98705	100.0
65.22445	0.8
66.58940	0.7
68.42491	0.8
69.36179	0.8
69.60101	2.2
69.60525	3.4
71.01254	9.8
73.02827	1.7
78.95801	1.5
79.95586	0.7
80.96379	0.9
82.02818	0.8
83.01266	2.0
84.20979	0.8
85.02858	2.4
87.00780	1.3
87.29207	0.8
87.55703	0.8
89.02325	7.2
96.95894	1.6
98.02364	0.8
98.61440	0.8
99.00777	1.0
100.03930	14.9
101.02323	4.0
102.45988	0.7
108.84335	0.8
110.02363	0.8
111.00748	1.5
112.03941	3.2
113.02359	1.5
119.03522	0.8
124.03967	1.1
131.03400	3.4
140.03444	1.4
166.04977	1.2
171.10260	1.4
181.85858	0.7
197.11658	1.0
202.07172	2.1
209.11787	3.1
211.13431	1.8
219.44582	0.7
282.26337	0.8
289.93091	0.8
291.19745	1.1
368.35788	0.8
455.35266	12.6
456.35919	1.2
551.96210	0.8
553.95612	1.1
566.38361	1.8
640.42664	2.2
658.43365	1.5
721.74689	0.9
746.48834	1.8
790.47546	78.7
791.47772	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	847.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	10.9
78.95782	78.4
80.96409	7.0
81.49400	7.5
87.57123	6.5
96.96893	9.0
99.60426	6.7
152.99446	10.3
187.51210	7.9
241.01195	31.9
255.23322	44.2
260.15604	6.9
293.21176	17.4
308.21863	8.3
489.77444	6.8
502.08206	7.2
546.70642	6.9
847.49713	100.0
848.50311	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	847.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83283	1.1
71.01264	1.4
71.03271	1.0
78.95784	68.9
79.95612	1.2
80.96394	13.0
85.02863	1.0
85.71455	0.9
94.97977	2.0
96.96848	17.7
99.67669	1.0
134.98462	1.0
147.91431	0.9
152.99513	15.4
179.14299	1.1
195.13802	7.5
209.80057	1.0
223.00113	6.2
223.13333	4.7
225.00653	2.1
241.01167	35.5
255.23299	45.9
256.23688	3.1
259.02301	3.0
275.20187	2.2
293.21246	22.7
297.03867	2.3
315.04861	1.4
332.66431	1.3
391.22522	4.7
429.20316	1.6
446.18149	1.1
517.06506	1.0
553.27954	3.9
571.28259	1.4
591.25238	1.3
761.42529	1.5
847.49750	100.0
848.50018	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	847.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.9
61.98714	0.7
62.16721	0.5
71.01256	9.7
71.58631	0.8
72.99186	6.5
73.02821	1.0
75.00752	2.1
83.01254	1.9
83.04895	0.6
85.02818	2.1
87.00764	5.3
89.02309	2.4
92.04898	0.7
99.00756	4.9
101.02328	2.3
109.06461	0.6
111.00758	2.0
112.98695	12.2
113.02332	1.7
115.00275	10.2
119.03352	0.9
124.98705	1.2
127.00220	0.9
142.99768	16.9
145.01360	0.8
156.00565	1.5
157.01250	0.9
161.04494	1.4
173.00830	4.5
174.01619	24.5
175.02406	14.7
175.03877	0.7
183.13809	5.6
193.12195	2.0
209.11754	1.1
211.13348	100.0
212.13672	4.5
223.13312	1.9
225.14946	0.7
233.11702	0.9
235.08266	1.8
235.13458	0.8
237.14919	1.3
245.11858	0.7
253.09271	4.3
253.14313	0.6
263.12857	3.8
429.21408	2.2
433.82559	0.7
447.22406	11.1
448.22672	0.6
623.34265	2.9
630.67273	0.7
641.35474	3.5
679.33478	1.0
697.34540	1.6
711.36487	1.1
729.36139	1.3
769.36646	2.8
787.37897	1.5
829.40234	0.8
847.39154	1.4
853.84937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.0
69.31083	4.7
71.01262	9.0
72.99187	4.9
73.02827	0.8
75.00752	1.1
80.96407	0.8
83.01273	2.7
85.02814	1.5
87.00766	4.0
89.02325	1.6
96.10647	0.5
99.00758	4.0
101.02331	1.8
111.00793	2.7
112.98707	10.7
113.02296	1.3
113.62324	0.5
115.00263	8.9
124.98683	1.8
129.01825	1.2
129.91905	0.5
142.99774	17.2
145.01360	0.8
156.00558	1.7
157.01329	0.9
173.00862	5.6
174.01631	23.3
175.02412	15.9
183.13850	5.1
193.12294	1.8
209.11771	1.2
211.13354	100.0
212.13713	4.9
223.13348	2.2
225.11426	0.5
225.14952	0.7
235.08141	1.8
235.13333	1.0
237.14973	1.1
251.12810	0.8
253.09267	4.3
263.12817	3.7
269.56570	0.6
429.21484	2.6
432.36874	0.6
446.97922	0.6
447.22369	10.5
448.22739	0.8
623.34186	4.2
624.35217	1.4
641.35486	4.7
679.32990	0.9
693.35547	1.0
697.34686	2.0
711.36578	0.7
729.37073	1.6
755.35480	0.8
769.36987	3.3
769.49225	0.7
787.38013	1.0
811.37811	0.7
829.38385	1.5
847.37201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.7
67.01759	1.4
71.01245	4.1
73.02802	1.7
75.00777	1.2
76.60870	0.7
80.47948	0.8
83.01247	1.1
85.02819	1.9
87.00745	1.9
89.02310	2.5
93.03310	1.2
95.01258	1.8
96.95906	1.6
99.00764	1.1
101.02320	2.4
108.02090	1.6
109.02837	4.9
113.02331	3.7
115.00227	1.1
115.20036	0.8
119.03400	0.8
119.04857	0.9
121.02854	1.7
123.00770	3.2
123.04446	1.0
125.02335	2.1
135.04402	1.3
136.01553	2.5
137.02357	27.9
138.01833	1.1
138.03014	0.8
149.02348	2.1
149.05971	1.3
150.03165	5.0
151.00290	15.1
151.03900	6.8
152.01033	3.0
152.04678	3.3
153.01735	0.9
159.04407	1.6
161.04504	1.5
162.02988	1.0
163.03883	1.2
164.01056	1.5
165.01855	100.0
165.05519	8.6
166.02641	43.2
167.03406	4.3
175.03839	1.7
176.01085	1.0
177.01848	3.4
177.05478	1.8
178.01131	0.8
179.03441	26.0
180.04219	57.8
181.04994	48.0
182.05328	2.0
184.03717	1.0
187.03897	2.6
192.04193	1.2
193.05000	2.8
194.05820	5.5
195.02850	2.5
195.06578	81.7
196.06885	3.7
205.05000	6.9
207.06551	1.9
209.08179	1.1
210.05299	11.6
220.07396	2.8
225.07654	66.6
226.07993	2.7
255.02939	0.8
309.07626	1.2
335.90118	0.9
339.08548	1.1
339.12476	1.2
345.15540	4.2
357.09509	1.0
359.11264	3.1
372.12085	1.4
376.27612	1.0
386.13614	1.8
387.10184	6.4
387.15057	6.9
388.14880	1.3
402.13321	5.2
403.13773	2.8
416.14725	3.7
417.15552	70.6
418.15915	5.7
459.15225	1.7
509.63013	0.9
514.09552	1.1
540.76123	0.8
543.15558	0.9
565.17493	2.9
595.21851	62.4
596.22339	12.0
643.23926	19.3
644.24207	3.1
847.31152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	12.3
66.36645	1.2
69.93547	4.8
69.93954	2.2
71.01264	8.4
71.61983	1.1
72.99174	2.6
89.02312	7.4
96.95883	9.2
98.95466	2.6
99.00719	1.2
101.02329	4.1
107.01270	1.2
111.00703	1.1
113.02351	3.7
119.03409	3.7
121.02845	2.2
125.02298	1.4
131.03340	1.3
136.01567	1.4
137.05920	1.2
143.03331	1.4
149.02345	1.6
150.03107	2.2
151.00296	4.5
151.03922	2.1
158.79588	1.3
161.13272	1.3
165.01855	1.9
166.06029	1.3
169.01434	1.6
175.03796	1.3
178.99829	2.2
179.05461	3.7
181.05069	1.6
193.04930	1.8
195.06683	2.8
205.12320	4.7
227.03445	31.1
228.03809	3.0
231.03009	1.6
240.67914	1.3
249.11234	9.1
255.02971	40.3
256.03519	4.8
271.02432	6.1
284.03259	51.8
285.03897	18.9
286.04257	1.6
299.02017	4.1
300.02597	2.8
301.03540	4.6
357.13040	1.2
367.10373	1.6
417.08264	100.0
418.08649	9.6
429.17474	5.5
447.09183	2.7
488.40152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96120	2.3
69.03340	1.5
71.01257	10.5
73.02810	2.2
78.98474	9.4
79.95614	19.7
80.96399	100.0
81.03367	0.8
83.01290	0.9
85.02836	3.4
87.00760	3.0
89.55335	0.7
92.14893	0.8
94.97974	23.2
95.01250	0.9
95.40874	0.7
96.95908	1.3
97.02838	2.5
98.75928	0.8
99.00747	0.9
101.02319	2.6
106.97993	3.7
107.10915	0.8
119.86630	0.9
121.09357	0.7
122.97465	4.5
125.02368	4.1
127.03909	1.0
134.97469	7.0
136.99049	2.6
142.38971	0.8
148.99066	7.8
152.98552	7.3
159.66582	0.8
164.98558	15.4
167.00035	0.8
179.00102	1.0
191.35454	0.8
206.99612	2.8
225.00723	23.3
225.04048	1.1
255.23291	2.4
323.35455	0.8
409.63297	0.8
537.27704	1.6
589.23419	1.0
845.47290	90.7
846.47546	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	847.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	46.8
62.75808	0.4
65.73375	0.5
69.58047	1.2
69.58463	2.3
71.01263	0.9
83.04908	0.8
87.00785	0.6
93.03343	6.1
98.20580	0.8
103.67704	0.5
104.85773	0.4
111.04376	1.9
117.03349	1.5
119.04930	11.9
120.05256	0.6
127.03957	0.7
137.02339	1.9
145.02867	11.7
145.06877	0.6
155.03421	4.3
159.77757	0.4
163.03937	12.6
173.04480	31.4
174.04741	0.6
191.05557	10.6
202.82341	0.4
211.07574	1.0
215.05571	1.1
233.06638	100.0
234.06964	3.1
260.37222	0.5
299.67578	0.6
319.08243	30.1
320.08569	1.8
337.09219	2.4
379.10318	10.9
379.14835	0.9
380.10806	0.8
406.93796	0.5
573.06189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	18.2
60.99185	0.7
61.98707	5.9
69.03340	1.6
71.01254	16.2
71.57594	0.7
72.99182	2.6
73.02828	1.9
73.11143	0.6
75.00755	1.4
78.95770	1.3
81.03340	0.9
83.01264	2.0
85.02829	3.7
85.99960	0.7
87.00736	3.9
88.98682	2.6
89.02324	15.0
95.01251	1.3
97.02824	2.6
99.00748	1.1
101.01694	1.1
101.02325	12.8
113.02348	8.3
115.03903	0.8
116.92738	2.3
119.03383	3.4
125.02340	6.8
125.09642	1.3
127.11221	1.8
131.03421	0.9
135.17990	0.6
143.03436	1.5
153.96564	0.6
155.11888	0.7
161.04497	3.9
165.18600	0.6
171.10187	81.0
172.10501	3.7
179.05527	3.5
179.14320	0.8
195.13823	6.9
196.14481	0.8
199.06158	0.8
210.62706	0.7
211.13344	2.4
221.06677	1.1
223.13359	4.7
224.70105	0.7
231.21146	0.7
235.08130	3.9
253.09256	1.1
256.13187	1.5
275.20142	5.9
287.07858	1.9
293.21231	100.0
294.21542	8.9
305.08765	2.1
323.09888	1.2
326.29742	0.6
379.12543	4.0
387.25671	1.3
397.13501	40.2
398.13583	3.3
405.26340	2.4
415.14572	13.7
416.14828	1.4
569.24573	2.6
673.34229	1.1
691.35712	1.5
785.39703	7.8
786.40216	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	845.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	15.0
61.98692	5.5
70.14850	2.7
70.15259	4.2
71.01261	13.0
72.99147	2.2
73.02814	2.7
73.70802	1.3
75.00760	6.6
78.95805	1.3
83.01247	1.5
85.02802	3.2
87.00761	3.9
88.98640	1.9
89.02332	10.4
95.01218	1.4
95.04906	1.4
97.02831	1.4
97.06468	14.1
98.17539	1.1
101.02335	9.8
111.84715	1.1
113.02313	5.4
119.03392	1.8
123.08060	7.7
125.02354	1.6
125.09624	100.0
126.09948	3.3
143.03391	1.8
143.10715	1.8
169.08661	3.7
171.10194	3.0
179.05440	1.5
184.01480	1.3
187.09697	67.2
188.10042	3.4
189.67444	1.2
209.11798	4.9
211.13342	3.7
221.06631	4.3
253.21416	1.3
277.21790	12.2
281.83194	1.5
335.39236	1.2
357.41910	1.2
397.13519	3.6
416.27771	1.3
567.22614	3.3
585.24280	8.6
845.45441	95.0
846.45624	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	845.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	26.2
59.90959	1.2
69.03330	2.4
71.00893	1.8
71.01261	20.9
73.02824	3.2
75.80443	1.1
83.01266	2.4
83.04893	1.4
85.02834	5.0
87.00761	7.0
88.98651	1.8
89.02327	17.2
93.04872	1.2
95.01287	2.2
97.02828	3.8
101.02325	13.3
101.08846	1.3
104.81483	1.1
108.94365	1.1
111.08019	1.4
112.18877	1.0
113.02335	7.3
119.03425	2.3
125.02360	5.6
131.03468	1.4
143.03365	2.1
151.78081	1.2
161.04454	3.5
171.10173	2.1
179.05508	5.1
188.04407	1.4
213.14960	1.7
221.06625	3.1
235.08195	1.4
239.16666	1.5
259.17117	1.3
259.19965	1.6
293.21283	2.9
315.27008	2.2
315.97037	1.5
325.25259	5.3
341.24719	2.0
343.26450	4.5
351.23495	2.0
359.25888	4.7
361.27505	2.5
369.24265	7.8
377.26868	2.0
387.25497	15.1
397.13614	10.5
404.68515	1.3
405.26492	27.6
406.26797	3.3
498.92587	1.3
757.39038	2.0
785.39697	100.0
786.40039	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	845.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	36.1
60.99176	3.5
61.98698	5.6
69.03328	4.1
69.62378	7.5
71.01257	28.5
72.99181	4.5
73.02813	4.2
75.00749	3.2
75.05942	1.1
78.95763	1.8
81.35774	1.4
83.01274	3.1
83.04885	2.9
84.16240	1.1
85.02837	6.7
87.00768	10.1
88.98682	19.5
89.02327	25.3
94.71168	1.4
95.01266	3.1
95.04902	1.7
97.02841	3.9
97.06432	1.4
99.00755	1.8
101.02337	18.2
109.06450	1.4
111.08054	2.2
113.02336	9.4
119.03384	5.1
125.02359	8.0
125.09629	1.3
137.09677	1.5
141.88652	1.1
143.03413	3.4
161.04456	4.1
163.11224	1.2
171.10208	37.6
172.10522	1.3
179.05525	6.6
188.53293	1.1
195.13841	4.1
209.11777	4.0
211.13303	2.7
213.14844	1.7
217.07103	1.2
221.06616	3.1
223.13347	2.4
235.08142	3.8
239.16327	2.7
241.18079	1.7
253.09256	1.8
275.16699	2.0
275.20084	3.8
281.52603	1.5
289.18140	2.1
293.21246	44.2
294.21420	3.5
305.08905	1.3
315.26721	1.7
325.25488	6.4
339.80923	1.4
341.24792	3.1
343.26434	5.2
351.23203	1.9
359.25949	5.5
361.27417	3.6
369.24298	6.6
370.24396	1.2
377.27203	1.6
379.12329	1.9
387.25421	16.4
397.13562	24.7
405.26437	26.9
406.26523	2.2
415.14474	5.0
479.30060	1.6
495.24579	1.2
619.47949	1.2
639.12848	1.4
757.40039	2.4
785.39673	100.0
786.40027	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	845.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	9.2
67.01756	0.7
68.02425	0.6
69.03357	1.1
70.74934	0.7
71.01261	13.8
72.99192	2.0
73.02817	2.4
75.00752	13.7
75.39902	0.6
81.86800	0.6
82.30016	0.6
83.01254	2.0
85.02831	20.1
87.00752	6.9
89.02316	2.8
93.03317	3.0
95.01260	2.1
96.95936	1.0
97.02836	0.8
98.20705	1.0
99.00762	4.5
101.02341	4.0
109.02856	0.7
111.00808	1.0
113.02338	14.9
114.02636	0.7
115.00257	1.3
119.04942	0.8
127.03956	1.3
130.80170	0.7
139.00290	0.7
157.01355	0.9
161.04448	1.1
163.03960	1.4
173.04506	1.9
175.02400	1.1
179.03360	0.8
191.05556	80.2
192.05896	2.7
197.68787	0.6
233.06586	1.4
241.33469	0.7
300.02631	0.8
331.17667	0.7
337.09299	18.7
338.09622	2.3
425.41861	0.9
507.20874	100.0
508.21204	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	845.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	23.8
61.98698	6.8
69.03336	4.3
71.01259	33.1
71.58367	3.6
72.99196	11.8
73.02831	4.3
75.00751	10.6
78.95788	3.3
83.01258	4.7
83.04912	3.2
85.02827	9.8
87.00753	35.2
89.02320	7.9
90.52611	2.7
92.04946	5.6
93.03310	2.4
97.02818	2.3
99.00771	14.4
101.02316	7.7
104.54147	2.1
105.84850	2.0
111.00748	3.6
112.98673	6.5
113.02333	7.9
115.00267	25.6
119.04920	3.4
121.02835	3.7
123.04375	2.5
124.98691	5.1
125.02277	2.8
129.01845	5.8
131.03375	4.5
134.03622	5.2
135.02887	4.2
136.01421	2.2
136.03993	5.7
142.99770	14.2
145.01303	2.2
147.02893	2.6
149.02339	2.6
149.64755	2.3
151.00392	3.2
156.00543	4.5
161.04520	2.4
163.03952	2.9
163.11223	3.4
165.12746	4.5
171.10248	2.9
173.00833	4.2
174.01607	27.2
175.02419	37.2
175.03828	2.6
178.99799	2.6
183.13826	6.4
189.12674	2.9
193.12151	3.3
195.14111	1.9
197.11844	2.4
209.11804	26.6
211.13335	100.0
212.13721	3.6
213.14903	4.3
219.80238	2.4
223.13373	12.4
227.12794	3.1
233.11839	3.0
235.13394	4.1
237.14946	3.8
241.14400	14.7
245.11845	2.1
251.12874	6.8
253.09140	3.0
253.14503	4.6
259.13492	3.2
261.11804	2.0
263.12802	6.7
271.02383	2.4
461.29285	4.4
473.29410	4.3
479.30038	5.3
491.30151	7.4
509.31216	4.0
515.17407	2.0
519.29602	7.0
535.28979	5.2
537.30566	7.8
549.52399	2.1
553.30701	2.7
561.30664	4.5
565.30188	2.7
575.28375	3.2
627.33881	3.7
635.30524	5.5
663.33313	2.6
671.33191	2.4
753.33295	4.8
765.33331	4.7
783.35498	4.2
785.36005	19.3
827.36835	2.9
845.37170	18.1
846.37097	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	839.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.1
69.03318	1.2
70.00610	3.2
71.01258	5.8
73.02827	0.8
83.01263	0.7
83.04917	1.0
85.02831	6.6
87.00751	1.1
89.02324	4.1
91.03922	0.6
95.01275	0.7
95.04894	0.9
96.52206	0.5
96.95836	0.7
97.02826	0.8
97.06485	2.2
98.19859	0.7
101.02338	4.8
101.03342	0.6
101.61945	0.5
105.27430	0.6
108.52174	0.7
113.02327	3.0
119.03406	1.3
124.14030	0.6
125.09610	0.9
125.98445	0.5
127.11171	2.3
137.09641	1.1
138.48416	0.8
145.04893	0.8
155.10678	0.7
161.04488	3.5
165.12796	0.7
167.14262	0.7
171.10190	14.6
177.12886	1.0
179.05551	1.2
179.14201	0.7
183.13855	2.9
185.11749	1.0
193.12239	1.0
195.13860	6.8
196.14444	0.9
201.11263	0.8
202.33624	0.6
205.12349	0.7
209.11832	1.8
211.13354	13.5
221.11867	2.8
223.13341	5.1
229.14441	10.7
230.08315	0.6
235.08179	5.6
239.12892	2.0
247.20622	0.9
253.09282	33.3
254.09616	1.2
256.13174	1.4
275.20132	5.3
291.19693	4.7
293.21249	100.0
294.21561	7.8
309.17325	0.7
309.20752	8.5
310.20905	0.6
327.21783	85.3
328.22092	6.8
468.59177	0.6
529.30786	0.7
545.29785	0.9
563.30603	5.8
603.42474	4.0
604.43451	0.7
669.63507	0.6
676.32172	0.6
763.11108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	81.0
64.18312	3.1
66.56976	3.8
67.05402	8.0
69.03320	15.0
69.32976	11.9
69.33399	21.7
69.94463	3.0
71.01257	70.8
72.99178	10.3
73.02823	19.9
73.73188	2.9
75.00742	5.1
81.03333	15.0
83.01275	8.9
83.04906	6.1
85.02826	44.9
87.00748	6.1
87.04390	4.8
89.02331	18.4
89.60902	3.1
97.06453	4.1
99.00761	7.4
99.04412	6.4
101.02322	20.5
101.25408	3.0
103.03903	13.0
107.04955	3.9
109.02832	4.5
109.06484	4.0
111.03640	3.9
111.04408	78.9
111.19640	3.5
112.13928	3.5
113.02351	6.1
113.92049	2.9
116.92737	5.2
119.03388	3.5
119.08555	78.3
119.85008	3.1
120.08903	3.4
121.10109	11.5
123.04429	3.7
125.09612	9.5
127.03925	5.7
135.04350	3.6
137.09630	5.5
145.05011	4.2
147.02908	6.1
147.06570	5.4
152.04778	3.9
161.04385	3.6
163.07558	25.1
165.09094	19.7
167.10690	7.7
169.08601	17.4
181.08627	58.8
183.10193	11.8
199.09694	10.0
209.11771	3.9
216.51962	3.3
266.69592	3.2
309.13348	4.9
311.15018	14.5
315.75485	3.0
327.14529	14.1
329.16171	21.6
346.52655	3.7
481.24176	4.0
493.24326	14.6
532.39490	3.7
534.15796	3.4
609.28430	3.5
621.29114	10.9
639.30237	59.8
640.30219	5.0
657.31238	76.3
658.31262	8.2
791.39148	18.9
792.39520	5.6
803.38586	45.9
809.39545	56.7
810.39911	11.0
821.39618	100.0
822.39825	18.3
839.40442	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	839.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00949	2.6
59.01254	46.3
67.05399	5.6
69.03329	7.5
69.92610	5.5
69.93045	4.5
71.01260	40.4
72.99196	4.3
73.02827	19.7
75.14723	1.4
81.03336	11.7
82.74458	1.4
83.01269	7.1
83.04906	6.6
85.02831	26.4
87.04375	3.4
89.02335	9.1
97.02882	1.6
97.06473	2.8
99.00781	5.2
99.04400	5.6
101.02317	10.1
103.03891	8.1
107.04935	2.6
109.02878	4.4
109.06478	3.8
111.04407	71.4
114.91988	1.5
119.08556	60.3
121.06478	2.9
121.10112	9.1
125.05984	3.7
125.09632	8.3
127.03898	4.4
137.09618	3.1
145.05005	2.6
163.06221	3.2
163.07533	21.4
163.11223	3.3
165.09126	12.0
167.10693	5.0
169.08638	9.4
179.10789	1.8
181.08632	38.2
183.10223	10.2
193.08569	1.7
199.09633	3.8
200.52603	1.6
207.10228	2.5
216.26750	2.1
309.13388	5.9
311.15109	10.0
311.18472	2.0
327.14645	9.0
329.16058	12.0
405.41968	1.9
444.20636	1.8
477.25412	1.7
493.24231	4.4
621.29053	10.4
639.30249	36.8
640.30560	5.1
657.31323	54.0
658.31653	5.3
733.34528	3.1
751.36688	2.6
791.38922	17.4
792.38940	2.6
803.38519	39.0
804.38794	7.4
809.39624	55.0
810.40497	9.4
821.39667	100.0
822.39929	22.7
839.40692	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	839.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	100.0
69.03338	8.1
69.46445	21.0
69.46867	12.6
69.48571	3.2
71.01263	63.9
72.99196	10.2
73.02814	21.4
80.02469	3.7
81.03341	12.0
83.01257	8.0
83.04907	4.5
85.02826	41.1
87.04399	4.2
89.02322	12.5
96.95876	4.4
98.19824	8.9
99.04437	5.8
101.02308	19.2
103.03902	11.1
109.02847	4.3
111.04419	47.3
113.85722	3.9
119.03369	5.3
119.08568	50.6
120.55607	3.6
121.10134	11.0
125.06050	5.3
125.09602	4.9
127.03902	4.9
128.66928	3.8
135.07942	4.1
163.07574	16.2
165.09149	14.3
169.08647	7.3
181.08655	41.3
183.10194	14.9
209.11809	6.6
262.62537	3.9
309.13553	8.1
327.14386	4.3
329.16122	16.0
338.37625	4.5
439.69012	4.4
491.22891	4.9
533.29706	5.1
639.30151	30.8
657.31354	28.6
658.15570	4.5
658.29706	4.2
791.38733	18.5
803.39276	30.4
804.38635	8.0
809.39606	77.1
810.40045	13.0
821.39771	82.3
822.39911	13.6
839.40198	25.5
840.41113	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	839.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	10.1
65.00208	1.3
66.54778	0.9
71.01257	5.7
71.07041	2.0
72.99216	0.9
73.02820	2.4
78.66954	0.8
83.01281	1.2
83.14812	0.8
85.02834	1.2
87.34360	0.9
89.02312	6.6
90.64014	0.9
93.03324	1.9
94.06032	0.8
96.95900	1.3
101.02328	4.3
102.74490	0.8
107.01269	2.8
109.02851	2.8
113.02357	2.7
117.03430	1.1
119.03424	2.4
119.04919	5.4
121.02865	2.5
135.00821	1.1
145.02867	4.2
151.00296	12.5
163.00314	3.3
163.03918	3.4
163.11168	1.4
169.01328	1.3
173.04465	3.0
178.99794	8.3
181.12250	15.1
187.03818	1.1
191.05493	1.3
211.03885	1.5
225.11285	48.1
226.02541	1.1
226.11591	2.1
227.03452	2.6
229.05011	1.0
239.03407	0.9
243.02905	6.6
243.12206	1.1
245.04544	1.2
255.02968	23.0
256.03384	1.2
271.02466	43.4
272.03107	2.3
273.03842	2.2
283.02399	1.9
300.02753	79.6
301.03510	68.6
302.03821	5.2
319.08234	5.9
405.17664	74.4
405.23233	1.8
406.17899	5.7
418.33820	1.0
433.07742	100.0
434.07864	6.6
481.60410	0.9
498.68588	1.1
542.33960	0.9
560.49805	1.2
588.14435	0.9
679.49878	1.1
839.30322	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	839.2412
Annotation	Smilaside C
Peak:m/z	Relative Intensity
59.01260	5.2
61.98721	0.9
66.17733	0.8
67.76731	0.7
71.01263	5.5
73.02836	1.3
75.00765	0.8
77.32069	0.7
85.02844	3.3
85.58914	0.8
87.00772	1.5
89.02327	2.5
95.01253	0.8
96.95911	2.5
98.19841	1.8
99.00789	2.2
101.02351	2.9
105.35098	0.8
113.02352	3.6
116.92705	0.8
117.03355	23.1
119.04926	100.0
120.05254	3.6
121.02876	2.1
125.02394	1.3
131.03406	1.5
132.02081	10.1
133.02892	3.8
133.06503	1.8
134.03659	14.8
135.04398	3.2
137.02324	1.3
139.03975	1.0
145.02864	68.1
146.03195	3.2
149.05978	4.0
151.03879	0.9
159.04395	1.7
160.01587	43.2
161.02365	9.6
161.06006	3.5
163.03928	71.2
163.29164	0.8
164.04297	2.5
165.01849	1.2
175.03934	48.3
176.04451	2.9
177.05496	3.7
178.02701	1.2
179.03433	3.4
183.10234	1.3
187.03931	2.8
191.06972	1.7
193.04984	16.3
195.06621	0.8
202.02895	1.0
205.05052	3.8
209.11789	2.1
217.04852	0.9
221.04446	0.9
225.07727	1.4
232.20847	0.8
234.37737	0.8
235.06100	4.1
265.07141	2.1
295.08273	2.4
323.07675	8.2
337.09268	49.0
338.09634	4.4
369.13733	0.9
411.10858	1.0
501.14047	90.6
502.14404	11.1
523.27301	0.9
543.14783	1.2
835.96423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.5
61.98708	13.5
63.99140	0.4
66.20650	0.4
69.03329	0.7
69.53139	2.6
71.01247	2.6
71.04893	1.8
78.95770	0.4
80.02535	0.8
80.96393	1.7
81.03329	2.3
83.04889	1.0
84.19376	0.3
87.00734	0.5
89.02335	0.7
93.03328	0.7
95.04900	1.4
95.60867	0.4
96.95866	0.4
97.02834	1.0
97.06462	1.1
98.03625	0.8
101.02300	0.7
106.04106	0.7
107.04935	0.5
108.89292	0.4
109.06490	6.1
111.04410	2.6
111.08009	0.8
113.02361	0.7
121.06468	0.7
123.04404	2.4
123.08041	0.9
125.09622	3.0
127.07545	1.4
135.08051	1.2
137.05974	0.7
137.09625	2.5
141.12714	0.9
142.02603	0.4
143.10684	0.7
145.06487	1.6
149.05974	0.8
149.09624	0.5
151.11192	0.8
159.08023	0.5
161.09645	0.5
162.10461	0.3
163.11211	3.3
164.08295	0.6
164.98460	0.4
165.12770	0.7
167.10690	1.2
171.10173	1.0
177.12839	0.6
179.10733	1.0
181.12248	0.8
185.11772	4.1
189.12656	0.4
191.14343	5.1
195.13850	1.7
201.11354	0.6
201.83522	0.4
207.10144	2.6
208.10638	0.5
209.11761	1.6
210.12088	0.5
210.25067	0.4
211.13330	0.8
217.15997	1.0
223.13283	0.5
225.00838	0.4
225.11310	3.2
226.11780	0.6
235.13437	0.8
243.17589	0.4
245.19087	11.2
246.19374	1.1
253.09245	3.6
271.02261	0.5
271.17090	1.4
287.16541	1.2
289.18106	100.0
290.18463	8.8
291.19595	0.7
293.21252	8.5
294.21625	0.9
301.03687	0.4
307.19159	51.0
308.19501	4.3
475.51895	0.4
837.39661	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	837.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.2
59.01524	0.4
61.98714	0.5
62.88183	0.3
69.03328	2.0
69.40789	2.8
71.01257	5.1
71.01608	0.3
71.04903	0.5
73.02866	0.8
73.95786	0.4
78.95808	0.4
81.03349	0.5
83.01302	0.5
83.04932	1.0
85.02859	1.4
87.00784	0.6
89.02328	3.8
95.04936	0.5
96.84124	0.3
97.02826	6.8
97.03384	0.5
97.06509	1.1
101.02315	4.6
107.04890	0.4
109.02892	0.4
109.06471	0.4
109.48898	0.3
111.08045	4.9
111.08674	0.4
113.02335	2.0
119.03439	1.1
119.08604	0.6
121.10175	0.5
123.04401	0.6
123.08105	0.5
125.09617	1.9
137.09602	2.2
145.05040	0.4
145.18329	0.3
151.11234	0.7
153.12749	0.6
161.04504	1.8
163.11189	2.2
165.12759	5.2
165.14084	0.4
167.10759	0.4
169.12296	1.8
171.10193	5.0
173.02600	0.3
175.11179	0.5
177.12732	0.3
179.05576	0.5
179.14354	0.9
181.12219	2.1
181.32042	0.3
183.13866	1.4
185.11778	0.8
193.12254	1.3
193.15993	0.9
195.13864	0.5
197.11780	22.6
198.12170	0.8
199.13370	1.1
201.11211	1.0
209.11772	3.0
211.13347	6.4
216.79114	0.3
221.11946	0.5
223.13416	1.2
225.11330	0.4
227.12834	4.2
235.08260	1.9
244.73888	0.4
247.20674	4.8
248.21169	0.4
250.76384	0.3
251.16434	0.4
253.09270	18.7
254.09576	0.9
263.20184	1.7
265.18121	0.7
273.18591	2.0
274.18854	0.4
289.18134	0.4
291.19672	52.2
292.19983	4.5
293.21249	0.7
309.20712	100.0
310.21048	7.7
527.28711	0.7
545.29474	2.0
601.41016	2.0
837.49518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	1.2
59.01253	10.5
61.98711	1.2
63.63003	0.5
66.22383	0.4
69.03330	1.4
71.01253	10.5
71.57899	0.7
72.01625	0.6
72.99168	0.8
73.02824	2.0
75.00764	1.5
80.02554	1.0
81.03326	1.2
82.92039	0.6
83.01276	1.5
83.04905	5.4
84.02002	1.0
85.02828	4.0
85.14461	0.5
87.00754	2.7
88.98663	0.7
89.02321	6.7
92.04937	0.6
93.03333	0.7
95.01279	1.2
96.95887	6.5
97.02888	0.8
98.98013	0.5
99.00768	1.5
101.02319	6.5
102.05505	0.8
108.02035	0.6
109.02855	1.2
109.06499	0.6
111.00761	1.1
111.04414	0.5
113.02345	5.7
116.92758	0.6
119.03405	1.4
122.03674	0.8
123.04381	0.7
125.02314	1.8
125.05995	1.2
125.09615	1.0
128.03398	0.6
129.01863	0.8
131.03409	0.8
133.02855	0.6
134.03629	1.4
135.04384	0.5
135.08049	1.2
136.03946	0.5
137.02354	1.2
143.03410	0.6
145.04921	0.6
149.02405	0.9
150.03067	0.7
151.00270	0.9
159.02878	0.5
160.01578	0.7
161.04485	1.4
163.11203	3.9
165.01878	0.6
165.12758	3.4
167.14403	0.5
169.15849	0.7
171.10199	1.5
171.44878	0.6
174.01637	0.6
174.26122	0.5
175.03871	0.9
177.03210	0.5
178.02615	0.7
179.03329	0.5
179.05479	1.3
179.14400	0.9
181.08643	0.7
181.12277	1.3
183.10181	0.7
183.13821	2.3
185.11699	1.4
185.15385	0.7
191.10744	1.3
193.04988	0.8
193.12338	0.7
195.13832	1.5
197.15367	0.9
199.13335	0.6
201.11301	0.9
205.12289	1.1
209.11780	100.0
210.12077	6.5
211.13362	11.9
212.13771	1.0
213.14902	15.6
214.15222	0.7
221.11668	0.6
223.13351	4.8
225.14926	0.7
227.12848	13.9
228.13261	1.3
229.14397	1.9
235.08224	3.9
235.13371	1.3
239.12825	1.2
241.14435	41.6
242.14737	1.7
243.15985	1.7
247.13498	0.8
251.12921	2.8
253.09259	8.7
253.14397	4.6
259.13287	3.8
263.13129	0.7
265.14566	0.6
267.07242	1.6
271.02457	0.6
277.14529	1.7
279.16080	1.2
295.15567	0.5
299.01993	2.7
300.02710	0.8
315.14407	0.9
329.16125	0.7
389.26837	0.9
397.13443	2.1
398.14044	0.6
415.25079	2.6
433.25824	1.7
444.54962	0.6
445.20798	3.3
447.22244	1.5
459.22040	0.9
477.23383	6.8
489.23062	0.9
496.12607	0.6
513.23364	1.7
539.34460	0.9
633.33124	0.7
651.33777	9.6
652.34027	1.4
669.34894	11.3
670.35565	2.1
679.33044	1.2
687.35986	4.5
697.34222	0.7
699.35944	2.0
715.35590	0.9
723.35999	0.9
739.35608	1.0
837.37030	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	836.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00444	1.1
59.01256	26.7
61.98704	4.8
67.01754	0.8
68.99674	1.2
69.03330	1.5
71.01258	38.1
71.57495	0.9
71.57884	0.9
72.99185	8.2
73.02834	4.3
75.00751	15.2
78.95771	1.0
80.96390	1.4
81.03331	1.3
83.01257	3.6
83.04916	1.1
85.02826	22.3
85.13784	0.7
87.00751	7.5
89.02320	11.3
90.02615	0.7
92.04936	2.0
95.01262	6.7
97.77695	0.6
99.00765	10.4
101.02337	12.1
103.00272	1.0
111.00735	0.9
113.02338	19.3
115.00244	1.7
115.07536	0.6
117.01802	2.2
119.03389	3.0
125.02328	1.4
129.01793	1.6
129.40248	0.7
131.03407	1.1
136.03963	2.5
149.04449	1.1
156.10199	1.0
158.11749	3.0
161.04448	1.4
167.14336	7.4
171.10078	1.3
175.02412	1.9
183.13826	3.0
199.13255	1.5
207.10164	1.0
209.11829	11.1
210.12091	4.4
211.13388	8.9
212.13692	2.5
223.16913	0.7
227.12834	2.4
229.14409	9.9
237.18437	0.8
241.14436	1.1
241.17928	0.7
242.14717	0.9
249.06119	4.8
251.95969	0.8
253.09238	0.7
265.18121	2.2
265.22128	0.8
267.07129	0.9
272.18674	5.2
308.22403	1.4
397.13443	2.2
398.13794	1.2
415.14709	1.0
434.23877	2.5
488.28632	1.2
586.36176	1.7
818.41541	2.2
836.42841	100.0
837.43109	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	835.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	2.0
59.01257	17.7
61.98708	2.3
67.01781	1.2
69.03326	4.3
71.01259	18.6
71.04894	1.2
71.37769	2.2
72.99215	1.5
73.02827	3.2
73.08521	0.9
75.00745	2.9
78.95782	3.4
80.02566	1.5
80.96400	3.4
81.03341	3.2
83.01276	2.8
83.04902	3.4
85.02827	7.6
87.00770	3.6
89.02315	8.4
95.01259	1.3
95.04936	4.6
96.95879	2.5
97.02830	7.1
97.06470	9.1
99.00780	2.5
101.02325	11.3
106.04188	1.1
109.06472	3.3
111.00795	1.6
111.04425	1.7
111.08046	14.5
113.02348	9.1
116.92756	1.7
119.03394	3.4
119.04854	1.2
121.06491	2.1
123.04424	3.6
123.08053	2.2
125.02309	1.9
125.05986	1.3
125.09600	5.7
127.07508	1.2
133.68848	1.0
135.08105	2.6
137.09596	5.5
142.19154	1.1
145.05019	1.4
151.11203	4.8
153.09119	1.8
153.12773	1.9
161.04491	3.8
163.11197	9.4
165.12793	10.3
169.12291	6.6
171.10234	7.9
177.12769	1.5
178.60042	1.1
179.10738	3.0
181.12283	7.3
183.13857	2.4
185.11732	6.9
191.10751	4.4
191.14389	8.0
193.12221	1.1
195.13811	1.3
197.11781	67.4
198.12073	2.8
199.09760	1.9
199.13338	3.9
205.12152	1.6
207.10191	3.3
209.11783	34.7
210.12074	1.8
211.13326	15.5
217.15814	1.8
223.13380	1.8
225.11224	4.2
227.12886	11.7
235.08293	5.5
237.11292	4.7
245.19066	16.1
247.20563	2.7
253.09248	34.9
255.23245	2.6
263.20145	17.7
265.18115	2.5
271.17023	2.9
273.18579	1.4
277.21802	1.8
289.18112	76.5
290.18533	5.6
291.19681	47.4
291.23004	1.3
292.19983	2.4
293.21277	7.6
305.17676	2.2
307.19171	93.0
308.19501	5.0
309.20721	100.0
310.21143	8.7
397.13498	2.8
445.20624	6.4
478.86081	1.1
526.27332	1.2
543.28412	5.3
545.29266	1.7
599.39282	1.5
731.37555	1.9
737.41150	1.6
739.05402	1.2
817.47632	1.4
835.49335	10.9
836.50287	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	835.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	11.7
61.98706	1.7
69.03339	2.3
71.01257	13.9
71.34712	2.1
72.99196	1.2
73.02823	2.1
75.00754	1.5
80.02560	1.1
80.96425	1.1
81.03344	1.4
83.01275	2.9
83.04906	3.6
83.24201	1.0
85.02837	3.7
87.00769	1.9
89.02323	5.5
95.01251	1.2
95.04942	1.1
96.95920	1.1
97.02852	3.3
97.06483	6.5
99.00769	1.7
101.02325	10.3
109.02856	1.0
109.06505	1.8
111.00640	1.1
111.08059	13.5
113.02328	5.0
114.05514	1.8
114.49798	1.0
116.92762	1.8
119.03442	1.4
123.04424	2.9
123.08035	1.0
125.09625	5.1
127.07571	2.4
130.67676	1.0
137.09618	3.1
143.03357	1.1
149.09656	1.9
151.11201	5.1
151.33061	1.0
153.12798	1.1
155.10593	1.5
161.04472	3.3
163.07532	1.1
163.11243	6.8
165.12778	6.7
167.10693	1.1
169.11035	1.2
169.12239	6.5
171.10223	2.5
177.12831	2.1
179.05507	1.5
179.10699	3.1
181.12276	6.9
183.13754	2.5
185.11758	5.2
191.10719	2.9
191.14330	8.2
193.12360	1.6
197.11792	79.7
198.12169	4.4
199.09668	1.6
199.13330	4.9
205.12239	1.1
207.10214	2.0
209.11798	28.2
209.90382	1.1
210.12167	1.4
211.13374	17.2
217.15927	2.4
225.11313	2.9
227.12852	7.7
235.08217	5.8
237.11372	4.5
245.19109	14.1
253.09300	29.9
254.09709	1.5
255.23312	1.8
263.20154	16.7
264.20612	1.2
265.18164	3.0
271.17001	2.1
273.18698	2.3
277.21786	2.8
283.97293	1.1
289.18134	66.2
290.18332	6.7
291.19711	30.5
292.20007	2.6
293.21204	2.2
307.19183	83.7
308.19440	8.0
309.20743	100.0
310.20895	8.2
397.13629	2.1
438.10870	1.1
445.20972	5.5
474.11963	1.2
525.27386	2.0
543.28247	5.6
668.79761	1.1
751.61212	1.1
835.49213	6.7
836.49573	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	835.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.9
61.98708	5.1
69.03338	1.8
71.01264	6.3
71.04920	1.9
71.49812	0.9
71.50162	0.5
72.99209	0.9
73.02831	1.2
78.95802	0.9
80.02553	0.9
81.03335	1.0
82.95319	1.6
83.01257	1.0
83.04919	1.5
85.02849	1.8
87.00751	1.2
89.02328	3.9
93.42933	0.5
95.04935	1.3
97.02827	5.6
97.06503	1.7
101.02339	5.2
106.04139	0.6
106.61375	0.5
107.04937	0.7
109.06476	8.0
111.04418	2.7
111.08080	2.9
113.02351	3.0
119.03403	0.8
119.08593	0.9
121.06499	0.9
121.10110	0.5
123.04480	0.8
123.08050	1.4
125.09611	1.9
127.07574	1.1
129.01952	0.4
135.08095	1.2
137.09599	2.8
143.10707	0.9
145.06502	1.4
149.09610	0.9
151.52573	0.5
161.04529	2.8
163.11201	2.1
165.09224	0.6
165.12828	4.2
167.10686	1.8
169.12404	0.8
171.10219	5.0
175.11214	0.5
177.12773	0.9
179.05583	0.9
179.10812	0.6
181.12250	1.4
183.13872	0.8
184.93456	0.5
191.14293	1.0
193.12289	1.1
193.15860	0.9
195.13884	2.5
197.11787	4.5
197.33783	0.5
201.11290	1.1
207.10155	0.7
209.11786	2.4
211.13345	3.2
215.14363	0.6
223.13336	1.4
227.12837	3.2
227.20152	0.5
235.08246	3.3
235.13412	1.3
245.19112	4.1
247.20618	3.4
249.14873	0.7
251.16519	0.8
253.09268	17.4
254.09708	1.0
261.18506	0.7
271.17123	1.2
273.18628	1.7
277.21786	1.3
279.23279	1.2
287.16519	1.4
289.18109	100.0
290.18539	7.4
291.19675	41.6
292.20163	3.3
307.19168	6.5
309.20718	69.1
310.21100	5.1
392.64011	0.5
394.99838	0.5
397.13748	0.6
525.27161	1.8
545.29388	1.5
581.38428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	0.6
59.01257	7.6
61.42253	0.5
61.98699	2.3
69.03322	0.7
69.58516	3.8
71.01266	5.3
71.04891	1.8
73.02820	1.0
76.71721	0.5
78.95773	0.6
80.02534	1.0
80.96399	0.5
81.03325	1.1
81.86935	0.5
83.04901	1.0
85.02831	1.2
87.00774	1.0
89.02337	3.0
91.69170	0.4
95.01321	0.5
95.04922	1.0
97.06434	0.7
98.03642	0.9
98.20599	0.5
99.00773	0.6
101.02317	4.7
109.06490	8.5
110.06803	0.5
111.04410	2.2
111.08049	8.5
113.02331	3.0
119.03311	1.1
123.08068	0.5
127.07522	1.2
135.08061	0.5
137.02272	0.5
137.09618	0.9
143.03377	0.8
143.10675	1.0
145.06502	1.3
149.09604	0.9
151.11179	0.8
153.09213	0.7
161.04494	2.5
161.09702	0.5
163.11214	0.9
167.10701	1.4
169.12268	3.1
171.10152	1.4
177.12767	0.7
179.05568	0.7
179.10725	1.1
181.12282	1.5
191.14362	0.7
195.13878	2.6
197.11780	37.8
198.12141	1.9
199.13344	2.3
201.11266	1.6
209.11784	1.5
211.13373	7.0
227.13052	0.5
235.08286	2.6
235.13301	0.6
245.19057	4.3
253.09276	18.0
254.09520	0.7
257.07977	0.5
263.17477	0.5
263.20114	2.7
265.18063	0.7
281.68091	0.5
282.23560	0.5
287.16525	0.8
289.18112	100.0
290.18433	6.2
291.19681	13.8
292.19998	1.5
293.21320	1.2
307.19135	7.2
308.19470	0.5
309.20724	49.9
310.21094	3.1
367.30936	0.6
371.40897	0.5
448.43860	0.5
516.87518	0.5
525.27234	2.1
545.29480	1.1
791.62469	0.6
835.51654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00203	0.9
58.00466	3.0
59.01254	31.0
59.35214	0.8
59.99791	0.8
61.98707	62.8
65.07737	0.8
69.03332	2.3
71.01256	100.0
71.57722	1.6
72.99178	2.3
73.02840	4.3
75.00735	1.0
78.11748	0.8
78.95776	1.3
79.95606	2.4
80.02560	0.9
80.96397	3.8
81.03333	1.7
83.01265	2.4
83.04906	4.2
84.02030	0.9
85.02841	7.8
87.00759	5.7
87.71584	0.8
89.02328	21.0
95.01265	2.4
95.04913	1.8
96.95908	1.1
97.02833	6.0
99.00783	4.6
101.02325	17.9
109.06469	6.9
111.04482	0.9
113.02329	12.4
119.03381	5.2
121.02871	1.0
125.02364	6.6
125.09612	2.4
127.11156	1.1
135.08046	2.0
143.03423	3.1
155.10675	1.6
161.04480	3.9
163.11212	5.6
164.11493	0.9
164.98578	1.2
165.12773	2.7
167.10776	1.0
171.10170	12.6
171.13853	1.0
177.12869	0.9
179.05490	4.4
181.12263	6.2
183.13806	7.0
185.11761	2.7
187.09671	1.0
192.25781	1.1
193.12312	1.2
197.11726	1.6
199.09695	1.2
199.13339	16.1
201.11288	13.0
207.10229	20.1
208.10532	1.3
209.11775	46.6
210.12213	2.5
211.13341	62.1
212.13704	3.5
215.12830	2.4
217.07117	1.3
221.06566	2.8
223.13361	1.3
225.11310	21.5
227.12856	37.6
228.13086	1.7
229.14449	2.3
235.08182	4.2
235.13435	2.0
243.12328	3.2
247.13333	2.1
253.09267	1.4
253.14322	1.5
265.14401	1.1
287.07773	1.7
291.19644	1.1
307.18924	1.0
309.20657	2.0
373.23929	1.2
379.12360	2.6
382.84976	1.3
383.22260	1.9
397.13474	27.4
398.13986	4.1
401.23389	4.1
415.14630	8.3
419.24454	3.5
605.25018	1.2
607.26477	1.9
623.25562	2.9
625.26984	5.0
799.37054	4.6
800.37701	1.1
817.38519	10.8
818.39069	3.5
835.39868	17.8
836.40155	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	835.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	30.3
59.78902	1.0
61.98709	4.6
64.47367	1.0
69.03311	1.5
71.01256	32.8
72.99175	2.8
73.02822	4.3
75.00727	1.6
76.87901	1.0
78.95756	0.9
80.96381	2.2
83.01247	3.8
83.04884	2.0
85.02834	7.4
87.00776	4.8
89.01817	1.5
89.02320	15.2
95.01263	2.6
95.04905	1.0
97.02824	3.8
99.00748	2.8
99.04387	1.5
101.02328	13.9
111.08022	1.1
113.02330	7.9
115.00272	1.2
119.03373	4.8
121.02809	1.4
125.02319	4.1
141.01883	1.4
143.03362	3.9
144.17819	1.0
147.49178	1.0
149.04486	1.2
161.04453	1.2
163.11136	1.3
165.12762	14.6
171.10181	2.9
179.05525	2.2
181.08553	1.6
183.13834	100.0
184.14128	4.8
199.06602	1.2
199.13284	2.8
201.11159	1.8
209.11777	18.3
210.11972	1.0
211.13431	7.7
213.14882	6.4
221.06564	3.0
225.11258	2.1
227.12881	13.9
235.08186	2.1
241.14458	1.5
247.99687	1.0
253.09331	1.7
293.21112	1.9
305.08780	1.3
379.12585	1.2
397.13635	9.6
415.14700	2.5
606.28461	1.1
625.27411	5.3
626.27277	1.4
650.25006	1.1
758.95874	1.2
791.40515	7.0
817.38910	4.1
835.39685	89.4
836.39850	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	835.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32683	0.3
59.01252	100.0
60.01581	0.8
69.03342	0.4
69.66524	0.3
71.01257	10.4
73.02821	2.9
83.01273	1.2
85.02824	4.6
87.00776	0.4
87.75795	0.3
88.98690	1.8
89.02315	1.8
95.01282	0.5
99.00763	1.9
101.02332	5.9
113.02330	3.8
115.00288	0.4
119.04947	0.4
127.37332	0.3
131.03430	0.3
139.11232	0.9
143.03436	0.6
146.03574	0.6
149.02405	0.3
150.03200	0.6
159.02962	0.8
161.04478	3.7
161.05724	0.5
164.04747	0.8
165.05547	1.4
175.02516	0.6
179.07066	2.0
183.10158	2.9
193.62666	0.3
195.06636	0.5
209.11861	1.0
230.49367	0.3
301.03372	0.4
315.14594	1.3
327.12616	0.5
329.13895	0.4
331.17630	8.6
331.21341	0.5
332.18073	1.1
357.24084	0.3
373.18665	4.0
374.18887	0.4
397.13593	0.4
471.14978	0.4
489.16479	0.9
730.07153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	1.6
59.01250	22.1
61.98706	54.0
64.86591	1.0
69.03331	2.8
71.01257	100.0
72.99178	2.9
73.02811	4.8
75.00709	1.2
78.95802	4.1
79.95624	1.4
80.96402	4.0
81.03328	2.6
83.01247	2.4
83.04904	4.4
85.02825	8.0
87.00768	5.3
89.02319	17.3
94.97967	1.2
95.04886	2.1
96.95911	1.6
97.02830	6.3
99.00764	3.0
101.02319	16.3
109.02816	2.0
109.06467	5.8
113.02329	10.5
113.04451	1.2
119.03391	6.5
120.73058	1.1
125.02368	6.8
125.09611	4.6
127.11195	1.3
135.08052	3.4
136.03914	1.2
143.03389	3.8
152.99533	1.5
155.10745	1.4
161.04498	2.8
163.11195	11.5
165.12775	2.4
167.03375	1.4
171.10185	20.1
179.05522	5.2
181.12253	4.1
183.13870	6.6
185.11795	2.9
193.12340	1.6
197.11707	2.9
199.13313	10.2
201.11276	13.9
207.10217	22.7
208.10530	2.4
209.11800	47.4
209.13797	2.5
210.12044	2.7
211.13348	45.2
212.13689	2.7
215.12793	1.7
221.06610	2.9
225.11301	30.5
226.11775	1.6
227.12868	25.8
228.13086	1.5
235.08206	5.8
243.12326	4.1
245.13788	1.3
247.13240	1.9
253.09415	1.8
287.07996	2.6
305.08832	1.3
309.20828	1.5
370.64380	1.2
379.12640	2.9
383.90140	1.4
391.24756	1.6
397.13501	28.9
398.66376	1.5
401.23352	3.4
415.14816	7.6
419.24280	3.7
420.24606	1.7
439.14099	1.4
605.25049	1.5
621.46075	1.4
623.25952	3.9
624.25702	1.4
799.37134	4.0
817.37866	7.6
818.40442	2.5
835.39197	14.9
836.39227	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	834.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61642	0.2
59.01247	1.1
61.98708	100.0
64.29897	0.2
71.01272	0.8
71.57187	0.2
71.57560	0.3
75.00782	0.3
78.95790	0.4
79.95634	0.2
80.96410	0.9
87.79584	0.2
89.02345	0.4
96.95889	0.3
96.96870	0.2
99.35063	0.2
101.02338	0.5
109.06507	0.5
113.02396	0.2
118.76862	0.2
171.10254	0.3
209.11885	0.6
211.13423	0.8
225.00574	0.2
235.08318	0.2
253.09285	0.3
289.18130	3.0
290.18488	1.5
291.19461	0.4
307.19269	0.4
309.20673	0.4
333.97617	0.2
351.16037	0.2
455.36575	0.2
835.41663	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00440	0.5
59.01254	6.4
60.04770	0.6
61.98696	2.3
69.03304	0.7
69.97292	1.5
69.97716	1.7
71.01258	5.0
71.04902	2.3
72.99191	0.7
75.00724	0.5
78.95773	0.9
80.02568	0.7
81.03326	1.7
82.95266	0.7
83.01275	1.2
83.04906	0.9
85.02840	1.7
87.00769	1.8
87.64448	0.5
89.02322	2.8
95.01260	1.0
95.04910	2.6
97.02858	1.4
97.06463	2.3
98.20517	0.6
101.02321	3.8
106.04214	0.6
107.04942	0.9
109.06484	5.8
111.04379	2.9
111.08035	1.2
113.02338	1.6
119.03365	1.2
121.06499	0.8
123.04390	1.1
123.08025	1.4
125.05986	0.8
125.09660	3.9
127.07578	1.0
135.08057	0.7
137.09599	1.4
143.10646	0.9
144.67589	0.6
145.06522	1.5
149.09621	1.2
151.11168	0.8
159.07979	1.0
161.04469	1.4
163.11206	3.2
165.09117	0.6
165.12743	0.9
167.10670	1.4
171.10181	1.3
177.12744	0.9
178.50996	0.6
179.10760	1.1
181.12277	1.7
185.11754	4.6
191.10709	1.0
191.14404	3.7
195.13889	1.7
207.10217	2.4
209.11784	9.6
210.12021	0.6
211.13420	1.3
217.16141	0.7
223.13289	0.8
225.11305	1.4
235.08192	1.8
235.13304	1.2
237.11238	1.2
237.14925	1.2
243.17505	0.8
245.19115	10.1
246.19336	0.6
249.14923	0.8
253.09323	9.9
263.20163	1.8
271.17044	1.2
287.16522	2.1
289.18118	100.0
289.64114	0.6
290.18460	7.7
291.19769	0.9
307.19177	28.9
308.19543	2.3
309.20850	1.8
445.20966	0.6
499.30576	0.9
506.42529	0.6
525.26746	1.1
579.36884	0.9
597.38129	1.3
717.39111	0.9
735.39142	0.8
815.46124	1.6
821.30914	0.6
833.47565	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	833.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	3.2
59.01258	56.4
68.91412	0.9
69.03348	3.9
69.28949	9.5
71.01260	63.8
72.99199	4.7
73.02827	19.6
74.02322	0.9
75.00762	2.2
76.08376	0.7
81.03336	5.5
83.01269	7.2
83.04901	2.6
84.04673	0.8
85.02834	29.6
87.00761	4.4
89.02328	16.9
89.02834	0.6
93.03352	1.9
95.01258	2.6
96.95896	1.4
97.02830	2.9
99.00766	9.0
99.04404	3.2
99.05556	1.2
101.02333	26.3
103.03896	10.8
108.02045	2.0
109.02853	5.8
111.04445	1.0
113.02341	18.2
115.00250	1.3
116.92762	1.9
119.03413	6.5
121.02857	3.3
121.10129	11.3
122.03641	1.6
123.00780	1.7
123.04432	1.0
124.01548	0.9
125.02364	7.7
125.09609	1.5
127.03918	3.4
128.03444	1.4
131.03407	1.0
135.00818	1.0
136.05225	1.1
137.02353	2.9
143.03395	2.3
143.04491	1.5
145.02879	1.4
145.04999	6.6
147.04437	2.3
149.02396	2.2
150.02016	1.1
150.03116	5.4
151.00296	1.3
151.03934	1.9
152.01088	1.3
153.01820	3.0
153.09177	1.0
158.03670	3.7
159.03009	1.6
159.04420	11.9
160.05226	28.4
161.04472	11.7
161.05952	9.6
163.03943	6.4
163.06015	5.0
163.11215	1.8
164.04698	6.0
165.01791	1.0
165.09146	4.7
167.03539	1.2
169.08696	0.9
171.10197	1.4
173.06029	3.1
175.02412	2.5
175.03976	2.3
175.07581	22.6
175.09030	1.8
176.07971	1.6
176.32118	0.9
177.05484	4.9
178.06262	5.8
181.08649	6.0
181.12221	1.0
183.10199	2.7
191.10722	0.9
193.04979	1.5
193.08612	3.0
199.09714	3.8
207.10205	3.5
209.11772	3.9
211.13263	2.5
225.11307	2.4
227.12987	0.8
229.33392	0.8
257.78491	0.8
267.07150	1.3
285.04102	0.9
285.16931	1.1
300.02850	1.0
306.07745	5.4
309.13651	1.1
311.15042	7.6
315.14462	1.6
324.10226	1.6
329.13492	19.5
329.15979	100.0
330.16891	8.3
339.12463	2.5
359.15036	3.9
360.15347	1.4
371.17010	3.0
373.13330	1.0
383.17053	2.4
395.17230	2.2
397.13647	1.6
425.18381	4.4
447.09381	1.0
473.20456	8.8
474.20581	1.1
475.23413	0.8
491.19189	3.3
651.22534	1.2
803.35052	4.5
815.37762	1.1
833.34717	3.4
834.36475	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	833.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.8
64.32866	1.5
67.01767	2.8
68.99680	1.8
69.56013	5.1
69.56435	7.9
70.41360	1.5
71.01263	11.4
72.99203	2.1
73.02838	2.8
75.00751	2.6
81.03307	3.3
85.02818	7.7
87.00768	2.4
89.02356	3.8
89.84396	1.5
91.01730	2.3
93.03368	2.0
95.01258	4.4
96.95895	2.0
99.00750	3.7
101.02341	4.9
107.01283	1.8
108.02055	89.1
109.02850	42.4
111.00738	2.6
113.02335	3.2
119.08578	1.6
121.02795	2.8
123.00748	5.8
123.04439	8.5
125.02348	6.1
135.00769	1.8
135.04382	1.8
137.02347	4.2
149.02335	5.8
150.03114	6.6
151.00287	6.4
151.03922	2.2
152.01065	93.7
153.01848	45.0
155.27437	1.5
160.01550	2.2
161.02351	2.8
163.03905	3.6
164.04741	2.1
165.01849	3.2
165.05492	4.5
166.02615	3.9
167.03413	27.9
175.03975	1.6
176.00983	2.0
178.99846	3.4
181.04927	1.6
181.08644	2.0
188.13190	1.8
190.02689	4.7
191.03546	2.1
191.05351	1.9
193.05038	1.7
205.04974	3.1
207.02884	2.2
209.04433	1.6
212.54311	1.6
223.06117	2.1
243.02963	2.3
255.02884	3.3
271.02493	7.1
281.40979	1.7
296.05478	1.9
297.06049	7.8
299.01962	2.3
300.02649	10.7
301.03525	9.1
311.07651	12.9
315.07281	7.2
329.14194	1.8
353.08801	1.6
405.14197	1.6
421.11655	3.4
433.07571	3.8
447.09314	16.1
465.10361	100.0
466.10718	13.0
495.11249	3.8
496.84781	1.7
507.11435	4.8
520.61963	1.9
627.15649	33.0
628.15979	4.2
833.20428	35.4
834.20361	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	833.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70715	0.7
59.01256	1.8
61.76498	0.8
63.13234	0.7
69.26355	0.8
69.26925	9.1
69.27273	1.1
72.50623	0.8
78.44048	0.8
93.03320	1.3
107.01292	2.2
108.02077	0.9
109.02849	1.5
121.02861	2.0
148.01563	1.1
151.00267	7.7
151.03891	2.5
163.00296	2.2
169.01434	0.9
178.99815	4.0
226.02634	1.1
227.03511	1.5
243.02956	6.5
254.02281	1.3
255.02968	16.8
256.03320	1.4
271.02478	31.9
272.03098	3.0
273.04080	1.7
300.02744	74.6
301.03479	49.4
302.03860	3.4
402.07083	1.1
433.07739	100.0
434.08041	8.1
456.39877	0.9
523.10626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96103	1.2
69.03326	0.6
69.86107	3.4
71.01254	7.1
73.02820	1.3
78.98460	5.3
79.95612	24.6
80.96394	68.4
81.03352	1.1
85.02818	2.5
87.00757	2.4
88.51374	0.5
92.12933	0.6
93.42761	0.5
94.97967	15.0
96.95911	1.4
97.02826	1.7
101.02312	2.1
106.97969	2.8
110.68286	0.5
122.97447	3.1
125.02325	2.5
127.03902	0.9
128.61613	0.5
134.97484	4.7
136.99037	1.6
148.99063	5.0
152.98572	5.0
161.04543	0.6
164.98566	9.6
165.98734	0.7
206.99626	3.1
225.00708	17.7
226.00916	0.7
241.00243	0.8
255.23235	1.0
277.20181	0.6
283.04938	2.0
341.05594	1.1
355.07040	1.2
411.74106	0.6
446.52786	0.6
537.27258	2.3
575.24628	0.8
609.29712	0.7
618.34570	0.6
693.38391	0.9
733.41907	0.9
762.43121	0.8
831.49396	100.0
832.49701	22.9
832.73755	0.7
863.70288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.3
62.96278	0.8
63.96128	0.8
64.96890	0.4
69.51314	1.6
69.51745	1.5
71.01254	5.2
73.02813	0.9
73.66631	0.4
78.95777	100.0
78.98448	3.5
79.95609	17.4
80.96391	46.0
81.03360	0.4
82.95986	0.5
83.04888	0.4
85.02834	1.6
87.00754	1.3
94.97967	9.2
96.95876	1.0
96.96841	24.3
97.02813	1.2
101.02328	1.3
106.97938	1.7
113.02282	0.5
122.97469	1.8
125.02333	1.4
134.97464	2.8
134.98441	1.0
136.99033	0.5
148.99049	2.2
152.98547	1.6
152.99515	19.0
161.04460	0.6
164.98557	4.0
196.85188	0.4
206.99619	0.7
217.00227	0.4
223.00050	7.8
225.00693	3.9
241.01152	26.1
242.01495	0.4
255.23268	49.1
256.23608	3.7
259.02219	1.9
277.21725	26.0
278.22104	2.3
283.04715	0.8
297.03815	1.5
315.04730	0.6
391.22574	4.7
413.20804	0.9
553.27936	4.3
554.28015	0.5
575.26172	0.9
719.68158	0.5
831.50214	48.2
832.50439	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	831.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.1
61.98698	4.9
71.01252	3.8
71.49886	1.1
71.50216	1.0
78.95770	4.1
82.86986	0.8
89.02317	3.0
97.02847	2.5
101.02330	2.7
107.88551	1.0
113.02314	1.4
116.92785	1.2
125.09665	0.9
135.76477	0.9
152.99510	1.6
163.11229	1.8
165.12761	2.3
171.10223	1.3
181.12376	1.1
183.13838	7.7
183.46027	0.9
193.12253	2.1
197.11734	6.1
209.11713	1.4
211.13341	100.0
212.13609	4.4
235.08165	2.9
247.20729	2.3
253.09247	12.1
255.23344	2.1
275.59836	1.2
277.21512	1.1
291.19684	20.1
292.19980	1.7
309.20718	44.2
310.21133	3.1
322.90900	1.0
349.00403	1.0
351.73404	0.9
409.94080	1.0
447.22449	7.0
527.28363	1.8
545.29291	2.6
725.00739	0.9
739.41925	1.6
831.50165	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	831.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39942	0.6
63.96122	2.1
69.03332	0.7
71.01254	6.6
73.02827	1.7
78.98463	6.1
79.95610	33.5
80.96394	82.1
83.01255	0.7
85.02855	3.0
87.00749	2.1
94.97964	18.1
95.30982	0.6
96.95914	1.4
97.02834	1.7
99.00770	0.8
101.02320	2.7
105.21941	0.6
106.97974	3.8
122.97462	3.4
125.02319	3.5
127.03918	0.8
133.41423	0.6
134.97488	5.5
136.99028	1.0
148.99040	6.5
152.98561	5.6
161.04494	1.0
164.98553	13.2
167.00049	0.6
188.98589	0.8
206.99617	3.4
225.00713	20.6
241.00249	0.8
249.93878	0.6
255.23270	2.1
283.04990	2.3
341.05466	1.2
355.06989	1.5
397.11740	0.8
537.27454	1.9
575.25092	1.4
637.32709	0.9
679.36621	1.0
693.38483	0.9
733.40991	1.0
831.49347	100.0
832.49536	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	831.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	11.7
69.03339	1.3
71.01261	12.2
71.45374	1.2
72.99190	6.0
75.00761	4.1
77.04935	1.1
83.01265	2.7
85.02827	4.5
87.00769	6.4
89.02319	6.9
95.01269	1.7
96.95871	5.5
99.00764	3.5
101.02341	5.4
108.72961	1.4
111.08026	1.5
113.02350	3.6
115.00262	6.2
119.03426	1.2
123.04409	1.1
125.09675	1.2
134.40347	1.2
135.02885	6.7
142.99756	7.4
145.02910	1.3
156.00545	1.9
165.12752	9.2
173.00885	1.5
174.01614	13.7
175.02431	11.1
181.08679	7.1
183.13835	66.0
184.14189	2.7
193.12152	1.4
199.09657	1.3
209.11783	3.7
211.13351	63.7
212.13698	2.5
223.13345	3.2
227.12878	4.6
235.08234	1.7
235.13399	1.6
253.09317	4.3
261.14948	1.2
275.14819	2.7
277.20706	1.2
406.63998	1.2
463.21747	1.9
489.30151	1.3
533.29370	4.9
657.34943	100.0
658.35370	13.9
697.36719	1.4
713.33844	6.6
731.35339	2.3
753.34290	3.2
813.35553	14.8
814.35828	2.7
831.35870	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.9
69.31507	2.6
69.31937	2.3
71.01250	3.5
72.99176	1.1
73.02805	0.9
75.00739	0.7
81.03296	0.6
83.01247	0.8
85.02819	2.5
87.00758	0.9
89.02316	1.9
95.01259	0.7
96.95898	1.6
98.19830	0.9
99.00774	1.0
101.02337	1.1
107.04929	0.7
108.02114	0.6
109.02824	2.9
111.00784	0.9
113.02315	1.1
115.00245	0.8
116.92731	1.9
121.02826	1.2
123.00768	2.6
123.04434	0.8
124.01556	1.3
125.02336	2.0
131.03441	0.6
131.04868	0.6
134.03606	0.6
135.04445	0.9
136.01505	0.5
137.01283	0.6
137.02332	12.7
137.03317	1.0
138.03093	0.6
139.00288	1.2
139.03891	3.1
142.99730	0.7
149.02342	2.1
150.03148	1.0
151.00278	24.7
151.03896	2.3
152.01082	2.6
152.04710	2.5
153.01813	0.8
153.05502	0.6
159.04378	0.9
160.01570	1.1
161.02347	1.0
161.04376	0.6
162.03139	0.6
163.03893	0.9
165.01830	1.5
165.05438	0.7
166.02626	79.0
167.03387	3.8
173.02347	1.5
174.01765	0.7
174.03145	0.7
175.02486	1.1
175.03920	2.5
176.00987	0.6
177.01857	3.3
177.05473	1.6
178.02510	0.6
179.03438	0.9
181.04988	94.2
182.05305	3.2
187.03969	1.6
189.05438	0.8
190.02626	1.5
190.06277	1.5
191.03389	3.3
192.04163	2.3
193.04955	1.4
195.02951	1.3
203.03433	1.2
204.04233	0.8
205.05055	5.9
205.08603	1.6
206.05762	3.2
207.06516	1.6
209.04482	0.9
209.11813	1.7
211.13319	1.1
217.05090	0.5
218.05899	0.7
219.06494	0.9
220.07336	3.0
221.04601	0.7
221.08153	5.1
223.13249	0.7
233.08232	0.7
235.06035	0.7
235.09778	1.2
271.02551	1.3
285.76813	0.5
300.02637	1.8
301.03497	1.3
301.06870	0.6
306.23895	0.5
309.04074	0.7
309.07626	0.9
312.06277	0.6
327.08749	0.9
329.16107	1.2
339.08719	2.7
353.10828	0.7
354.11212	1.0
356.13022	0.5
357.09695	1.5
359.11078	2.4
371.11526	0.5
372.12109	5.5
373.12766	1.2
387.10620	12.2
387.14520	26.6
388.10809	0.9
388.15094	1.4
399.14447	2.7
401.16122	1.7
402.13159	11.7
403.13556	1.4
417.15533	100.0
418.15854	8.1
431.17053	1.6
597.23486	8.8
598.23462	1.3
609.23431	2.0
627.24457	33.1
628.24988	5.3
657.21448	0.6
831.35614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.8
59.01254	15.8
61.98713	0.6
69.03329	1.2
70.05440	0.4
70.05851	1.0
71.01257	16.6
72.01589	0.4
72.99181	1.5
73.02827	3.0
75.00768	0.6
81.03350	1.1
83.01273	2.1
83.04906	0.4
85.02827	4.0
87.00752	5.5
87.04427	0.3
89.02322	12.6
90.02694	0.3
91.03909	0.4
93.03327	0.3
95.01251	1.9
97.02826	3.0
99.00769	1.0
101.02327	12.5
102.02678	0.4
109.02827	0.5
111.00761	0.4
111.04386	0.6
113.02335	6.9
119.03403	3.9
121.02797	0.5
124.01577	0.3
124.95044	0.3
125.02339	7.6
125.09608	1.0
127.03889	0.4
127.11199	1.7
131.03401	0.8
133.04965	0.7
139.03926	0.4
143.03397	2.5
143.44255	0.2
147.07771	0.3
149.04515	0.4
161.04474	3.0
167.03441	0.6
171.10188	100.0
172.10544	3.4
179.03355	0.4
179.03978	0.3
179.05553	3.6
185.04393	0.3
185.11755	0.4
195.10298	0.3
199.06114	0.8
213.11205	0.4
217.07135	1.3
221.06677	1.7
235.08209	6.7
253.09258	0.7
259.08234	0.5
263.07681	0.3
275.19980	0.3
277.21725	54.2
278.22107	4.0
287.07709	2.3
305.08743	2.1
323.09790	0.8
361.11725	0.3
379.12469	9.3
380.12885	0.4
397.13507	32.6
398.13641	2.0
415.14594	7.8
416.14700	0.5
551.23407	0.7
569.24451	1.4
675.35834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	16.6
61.98703	2.6
69.03305	0.9
71.01259	6.3
75.00756	1.6
78.95770	1.3
80.02550	0.9
83.04903	1.8
85.02847	1.6
87.00773	1.4
88.80743	1.0
88.98709	1.2
89.02309	4.3
95.01324	0.9
97.02879	1.0
97.06483	1.9
99.00816	0.9
101.02299	4.3
108.80344	0.8
111.08035	1.0
113.02345	2.9
116.92776	1.2
119.03443	1.2
123.04430	1.4
125.02395	1.2
125.09624	2.6
137.09564	1.4
143.03505	0.9
161.04486	2.3
163.11214	3.6
165.12823	2.0
167.14192	0.9
171.10185	9.0
179.05487	1.0
181.12343	1.2
183.13847	7.2
185.11766	3.2
191.14334	4.5
193.12312	1.9
197.11832	1.4
199.13326	1.1
205.11945	0.9
207.10216	2.7
209.11777	8.3
211.13351	100.0
212.13692	7.1
225.11296	1.4
230.39278	1.1
235.08224	3.2
237.11305	1.2
245.19200	6.7
253.09348	8.2
263.20175	2.8
271.17249	1.7
277.21854	5.9
289.18124	38.2
290.18521	2.2
291.19730	1.3
307.19150	30.8
308.19531	2.0
309.20786	1.4
379.12311	1.9
397.13589	3.9
403.24628	1.1
431.30075	1.1
447.22324	3.9
486.27820	0.9
501.32452	1.6
543.28485	1.3
621.32959	3.3
719.40759	1.6
737.40979	1.5
824.07977	1.1
829.44910	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	829.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	12.9
71.01257	13.3
72.99197	4.2
75.00754	9.4
85.02835	11.5
85.70052	4.2
87.00767	5.4
89.02329	3.6
95.01260	3.4
98.19756	6.7
99.00771	4.2
113.02364	16.9
117.03342	3.5
134.03624	30.6
136.14803	2.9
161.02338	3.7
175.03889	3.9
193.04932	15.7
218.44113	3.0
249.06094	13.8
267.07111	31.0
443.11911	100.0
443.18219	5.5
444.12180	9.9
685.85022	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	829.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	2.8
59.01258	28.7
61.98735	3.0
69.03318	2.4
69.35302	17.7
71.01257	48.0
71.63424	1.9
72.99179	11.6
73.02832	8.1
75.00751	29.9
81.03304	2.2
83.01267	8.0
84.02065	2.0
85.02831	43.1
87.00766	10.9
89.02318	13.7
92.04967	7.1
95.01260	4.2
99.00761	15.7
101.02314	15.7
102.88428	1.9
111.04431	2.4
113.02335	31.9
115.00277	7.2
119.03372	2.6
121.02866	3.9
123.00878	2.1
125.02353	3.0
129.01857	2.3
131.03392	2.9
136.03964	6.7
137.02361	3.0
142.99780	4.2
145.04958	3.5
151.00304	3.5
153.01865	1.7
157.01456	2.8
161.02446	2.3
161.04523	2.7
161.49785	2.0
171.10194	2.4
174.01645	8.3
175.02435	8.0
175.03900	2.9
181.08629	5.3
182.09370	2.0
209.11867	2.9
211.13448	10.7
225.11342	6.4
300.02844	2.3
313.03836	2.0
327.21930	2.5
337.11591	3.4
386.58685	2.0
621.32690	2.7
791.17908	2.9
811.35187	3.5
829.44873	100.0
830.45258	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	829.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90902	0.4
59.01244	1.9
63.05595	0.5
71.01255	1.5
71.04902	1.0
71.57198	0.6
72.99184	1.9
75.00743	1.2
83.01241	0.6
85.02848	1.5
87.00761	0.5
89.02321	1.2
89.03847	2.9
93.03325	0.4
95.01297	0.5
96.95903	0.6
99.00750	0.9
101.02318	0.7
106.04150	0.4
108.02061	1.8
109.02843	1.7
111.00743	0.5
113.02347	1.2
117.03348	6.3
119.04922	1.0
121.02827	1.7
123.04407	2.0
128.26698	0.4
132.02089	3.6
133.02853	1.0
134.03635	100.0
135.03917	3.6
135.43347	0.5
137.02356	2.5
139.03926	3.5
145.02841	1.2
147.04393	0.6
149.02356	0.5
149.06007	8.1
150.03178	1.0
152.01085	1.6
153.01848	1.4
153.05518	0.8
159.04390	1.3
160.01576	11.4
160.05199	3.2
161.02173	1.0
161.05957	1.2
163.03864	1.6
165.01862	0.5
174.01639	0.5
175.03923	17.8
175.07536	2.1
176.04362	1.1
177.05525	0.7
178.02635	6.8
178.06235	0.8
193.04994	96.1
194.05345	5.3
226.04007	0.5
255.03030	0.6
329.13916	8.2
337.09280	0.8
446.69977	0.4
473.17737	0.5
536.45886	0.6
587.20831	0.7
605.22473	6.0
606.22699	0.7
623.22784	1.3
624.23853	0.6
635.23480	0.8
799.27545	1.2
829.29205	3.3
830.29504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.6
69.03341	0.3
71.01250	1.9
71.58016	0.3
71.58395	0.4
72.99191	1.8
73.02811	0.7
75.00755	0.6
78.95781	0.4
83.02364	0.3
85.02845	1.5
89.02327	0.8
89.03848	3.0
93.03333	0.5
95.01267	0.4
96.95890	1.0
99.00773	0.9
101.02327	0.7
106.04114	0.7
108.02035	1.1
109.02837	0.9
113.02341	1.4
117.03355	7.5
119.04881	0.4
121.02863	1.0
123.00772	0.3
129.50267	0.3
131.03389	0.4
132.02083	3.5
133.02888	0.6
134.03636	100.0
135.03934	2.9
136.01582	0.8
137.02324	2.4
139.03931	1.0
145.02872	1.0
147.04375	0.5
149.02299	0.6
149.04837	0.6
149.05995	8.3
150.03154	1.4
151.03845	0.6
152.01114	0.7
153.01843	0.8
159.04416	1.4
160.01581	11.6
160.05203	3.7
161.02051	0.8
161.05977	1.2
163.03902	1.1
164.04675	0.9
165.05524	0.8
171.65689	0.3
173.05931	0.8
175.03925	18.3
175.07530	3.2
176.04329	1.0
177.05501	1.1
178.02654	6.6
178.06227	0.7
191.05525	0.6
193.04996	96.9
194.05351	4.3
195.06557	0.5
205.05186	0.3
240.98073	0.3
315.12302	0.3
329.10013	0.6
329.13940	10.7
330.14218	0.8
337.09457	0.4
359.15039	0.9
496.97513	0.3
505.18329	0.6
517.18713	1.9
527.03436	0.3
635.23523	5.5
636.23615	0.9
653.24518	1.5
785.37750	0.5
829.29181	4.0
830.29028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.9
69.03332	0.6
69.39761	1.4
69.40201	1.4
69.83958	0.4
71.01259	4.2
72.99189	2.0
73.02827	1.1
75.00748	0.7
75.47691	0.3
82.92480	0.3
83.01275	0.6
83.55196	0.3
85.02845	1.7
87.00739	0.8
88.98672	0.5
89.02325	1.1
89.03841	3.1
93.03345	0.5
95.01291	0.7
96.95905	1.5
97.02831	0.5
99.00771	2.0
101.02346	1.6
106.04108	0.6
108.02065	0.8
109.02834	10.0
111.00745	0.5
113.02322	1.9
117.03352	7.3
119.04935	1.6
119.05666	0.3
121.02860	1.5
122.03648	0.5
123.00785	0.4
123.04405	1.1
124.01555	0.3
132.02072	6.9
133.02840	1.2
134.03639	100.0
135.03896	3.1
136.01547	0.4
137.02347	3.2
139.03906	1.2
143.03421	0.4
145.02818	0.4
147.04396	1.0
149.02310	1.1
149.05983	8.5
150.03131	2.2
151.03931	0.6
152.01080	0.9
153.01854	14.6
154.02194	0.5
158.03659	0.7
159.04434	2.1
160.01578	23.8
160.05209	6.2
161.02335	2.0
161.04608	0.5
161.05988	2.2
162.04573	0.4
163.03920	2.3
164.04700	1.3
165.05511	0.5
167.03412	0.5
173.06088	0.5
175.03932	31.1
175.07544	4.6
176.04364	1.9
177.05453	1.5
178.02657	6.0
178.06221	1.5
179.03333	1.1
179.06755	0.4
191.05507	0.4
191.06992	0.7
193.05000	95.6
194.05359	4.2
195.02908	1.0
205.04968	0.6
209.11748	1.0
219.34686	0.3
235.06056	0.9
275.07776	0.5
315.12387	1.1
323.07910	1.7
329.13934	13.7
330.14325	1.0
337.09332	2.2
359.14868	0.9
474.76208	0.3
491.11920	10.5
492.12259	1.4
521.20258	0.4
605.14996	0.6
635.23663	5.6
636.23364	0.9
653.24207	1.8
697.24750	0.4
829.29156	10.5
830.29004	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	829.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.3
67.46455	1.0
69.03343	1.6
71.01257	6.7
71.10754	1.9
71.11080	1.7
73.02816	1.7
75.00732	2.0
81.03313	2.9
85.02813	4.2
87.00713	1.4
93.03321	3.3
95.01226	2.8
96.95902	2.4
101.02323	2.8
108.02057	89.9
109.02853	31.6
113.02300	3.5
116.92736	1.5
117.03319	2.7
119.04912	9.1
121.02827	3.1
125.02315	3.6
132.02081	14.0
133.02863	10.0
134.03641	25.7
135.00745	3.0
135.04446	11.0
136.01584	1.5
137.02313	2.4
145.02885	6.5
147.04379	1.3
149.02312	2.7
149.05954	5.0
150.03165	1.3
151.03789	2.0
152.01062	100.0
153.00668	1.7
153.01857	32.2
159.04449	1.2
160.01575	65.5
160.80534	1.1
161.02361	44.3
162.02596	1.9
163.03949	8.4
165.01877	1.3
166.02560	1.4
167.03413	2.6
175.03929	61.5
176.04413	1.9
177.05403	2.3
178.02621	4.1
179.03438	6.6
187.00247	1.2
191.05431	1.9
193.05011	17.2
221.04472	2.7
228.04070	1.5
232.03783	1.2
235.06024	2.2
243.06458	2.9
255.02866	1.8
256.03250	1.5
283.02606	1.4
284.03104	1.2
285.04117	7.8
285.63031	1.4
286.04391	5.6
297.06238	1.5
315.07236	15.0
319.65884	1.2
323.07596	7.7
337.09308	6.8
442.14951	1.2
447.12759	2.2
459.09143	2.4
461.10760	4.2
491.11951	73.0
492.12323	6.6
517.12476	1.4
533.12634	2.0
623.15717	1.5
625.14886	1.7
638.24054	1.5
653.17255	30.0
654.17352	3.4
829.21625	62.2
830.21887	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	829.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.3
67.46455	1.0
69.03343	1.6
71.01257	6.7
71.10754	1.9
71.11080	1.7
73.02816	1.7
75.00732	2.0
81.03313	2.9
85.02813	4.2
87.00713	1.4
93.03321	3.3
95.01226	2.8
96.95902	2.4
101.02323	2.8
108.02057	89.9
109.02853	31.6
113.02300	3.5
116.92736	1.5
117.03319	2.7
119.04912	9.1
121.02827	3.1
125.02315	3.6
132.02081	14.0
133.02863	10.0
134.03641	25.7
135.00745	3.0
135.04446	11.0
136.01584	1.5
137.02313	2.4
145.02885	6.5
147.04379	1.3
149.02312	2.7
149.05954	5.0
150.03165	1.3
151.03789	2.0
152.01062	100.0
153.00668	1.7
153.01857	32.2
159.04449	1.2
160.01575	65.5
160.80534	1.1
161.02361	44.3
162.02596	1.9
163.03949	8.4
165.01877	1.3
166.02560	1.4
167.03413	2.6
175.03929	61.5
176.04413	1.9
177.05403	2.3
178.02621	4.1
179.03438	6.6
187.00247	1.2
191.05431	1.9
193.05011	17.2
221.04472	2.7
228.04070	1.5
232.03783	1.2
235.06024	2.2
243.06458	2.9
255.02866	1.8
256.03250	1.5
283.02606	1.4
284.03104	1.2
285.04117	7.8
285.63031	1.4
286.04391	5.6
297.06238	1.5
315.07236	15.0
319.65884	1.2
323.07596	7.7
337.09308	6.8
442.14951	1.2
447.12759	2.2
459.09143	2.4
461.10760	4.2
491.11951	73.0
492.12323	6.6
517.12476	1.4
533.12634	2.0
623.15717	1.5
625.14886	1.7
638.24054	1.5
653.17255	30.0
654.17352	3.4
829.21625	62.2
830.21887	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	827.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	26.4
60.85752	1.5
61.98705	2.0
69.03337	2.0
71.01254	43.4
71.13495	3.8
72.99165	10.5
73.02814	7.3
75.00748	25.7
81.08323	1.6
83.01253	5.7
85.02824	37.1
87.00745	13.0
88.98675	6.7
89.02325	8.5
92.04990	2.4
95.01256	5.6
99.00755	14.5
101.02305	11.9
103.00314	1.6
111.00780	3.4
112.98689	7.1
113.02330	28.8
115.00271	7.8
116.92734	4.5
117.01842	3.6
119.03371	2.0
125.02331	1.9
129.01840	2.2
134.53215	1.6
136.03986	2.5
139.00162	1.5
142.99765	13.8
160.01559	1.5
161.04431	2.3
171.10085	1.9
173.00905	3.7
174.01608	18.0
175.02417	10.6
183.13864	2.7
201.11351	3.4
209.11761	7.1
211.13290	8.6
227.12849	2.2
269.80798	1.5
299.01913	2.6
535.28723	2.8
575.29010	2.7
600.66888	1.8
635.30988	2.8
827.42859	100.0
828.43408	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	827.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	12.2
61.98693	2.9
64.85548	1.2
69.03311	4.2
71.01255	16.0
71.57345	1.8
72.99181	1.9
73.02799	5.4
75.00732	4.2
83.01246	2.6
85.02818	5.4
86.33732	1.4
87.00736	2.8
88.98689	2.1
89.02313	5.5
89.03822	1.8
96.95889	3.1
97.02805	1.6
99.00774	7.8
101.02298	5.4
103.00185	1.6
108.02033	2.1
109.02836	2.0
113.02309	4.4
115.00265	1.4
116.92746	2.9
117.03355	2.6
119.03393	1.5
119.04921	1.3
121.02836	3.1
123.04416	1.4
125.02337	2.8
131.03406	1.6
132.01180	1.6
132.02077	24.8
133.02727	2.2
133.86404	1.4
134.03641	40.9
135.02884	1.5
135.04335	2.6
136.01572	39.2
137.02290	3.9
143.03387	1.9
145.02859	2.1
147.04414	1.5
149.05959	6.1
149.07053	1.2
151.03922	35.0
159.04491	1.2
160.01582	95.1
161.02089	5.7
163.03975	2.5
163.07475	1.5
165.05522	1.6
170.24559	1.3
175.03934	100.0
176.04431	4.7
177.05438	1.7
178.02612	3.5
179.03328	2.0
185.00783	2.3
189.05460	1.8
190.02733	1.6
191.07002	3.7
193.05008	29.2
205.04991	1.6
209.11755	8.2
217.05003	2.1
227.12880	1.4
277.07138	1.5
327.12259	4.7
337.09274	10.1
339.12369	2.5
342.11206	2.0
343.11728	4.4
344.53583	1.5
357.13492	8.0
544.18768	1.6
582.57404	1.4
619.19635	1.9
651.22485	3.0
695.23346	4.2
827.27545	59.2
827.41168	3.3
828.27899	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	827.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.1
65.27548	0.3
68.99712	0.4
71.01244	2.0
72.99190	1.5
73.02808	1.0
75.00739	0.9
78.95774	0.5
85.02822	1.4
87.00750	0.8
89.02312	1.0
89.03843	3.0
93.03348	0.4
96.95890	1.3
98.20608	0.6
99.00769	1.1
101.02335	1.3
101.49191	0.3
106.04108	0.5
108.02016	0.4
109.02847	0.4
113.02330	1.0
115.00245	0.4
117.03345	7.1
118.03710	0.4
119.04933	1.3
121.02839	0.5
122.03647	0.4
128.03470	0.4
131.03458	0.6
132.02078	2.9
134.03633	89.5
135.03917	2.8
136.01564	7.1
137.02356	2.4
139.03886	0.8
145.02879	0.9
147.04468	0.5
149.02345	0.6
149.05981	7.4
150.03062	0.6
151.03909	7.7
160.01570	8.4
161.04581	0.5
163.03865	0.8
164.04634	0.4
165.01793	0.4
165.05458	0.7
166.02667	0.4
166.95982	0.3
174.01529	0.4
175.03922	13.3
176.04326	0.5
178.02640	6.7
179.03265	0.4
190.02690	0.5
191.07100	0.6
193.04996	100.0
194.05376	4.1
195.06526	0.3
199.09723	0.5
205.05080	0.4
243.17953	0.4
247.67821	0.3
271.02383	0.4
280.14883	0.4
324.10779	0.4
327.12317	0.7
339.12320	1.2
357.13449	3.6
394.09811	0.3
408.37076	0.3
449.06097	0.4
603.20508	0.6
615.21057	0.6
633.21851	2.2
651.22778	1.1
781.63062	0.5
783.35968	0.4
827.26367	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	827.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.7
61.57663	0.2
69.70815	0.2
71.01255	1.8
71.58482	0.2
72.99187	1.3
73.02814	0.4
75.00763	0.3
83.01266	0.3
85.02855	1.1
87.00762	0.7
89.02335	0.6
89.03850	2.2
90.41707	0.2
93.03355	0.3
96.95898	1.0
97.02811	0.2
97.19917	0.2
98.95457	0.2
99.00770	0.7
101.02348	0.6
106.04135	0.6
108.22369	0.2
109.02804	0.3
113.02376	1.0
114.68898	0.2
117.03352	6.8
117.04196	0.4
118.03721	0.3
119.04946	1.3
121.02843	1.0
131.03386	0.2
132.02084	2.7
133.02855	0.3
134.03636	89.4
135.03954	3.1
136.00517	0.4
136.01559	6.9
137.02370	2.0
139.03943	0.6
147.04485	0.3
149.02295	0.5
149.05986	7.4
150.03084	0.6
150.04187	0.3
151.03929	6.7
160.01579	7.3
160.05209	0.3
161.02365	0.3
163.03905	0.8
165.01895	0.3
175.03931	12.8
176.04669	0.3
177.05368	0.3
178.02637	5.9
190.02582	0.4
191.07077	0.3
193.04996	100.0
194.05336	4.4
195.06491	0.4
203.07196	0.3
205.05043	0.4
215.27303	0.2
269.35794	0.2
287.64499	0.3
313.03522	0.4
327.12180	0.6
339.12311	1.3
357.13464	4.3
358.13925	0.2
394.06314	0.3
471.16183	0.2
514.17950	0.2
603.20422	0.3
603.62396	0.2
615.21448	1.0
616.21350	0.3
633.21863	2.4
634.22205	0.6
651.22888	0.6
783.36780	0.4
826.39777	0.6
827.27075	3.1
828.28101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.0
61.88285	0.4
63.04710	0.4
63.10036	0.3
67.00150	0.4
69.03340	0.5
71.01259	3.3
71.58017	0.6
72.75162	0.3
72.99191	1.5
73.02828	0.9
75.00769	1.1
81.03328	0.5
85.02832	2.5
87.00777	0.8
89.02319	1.4
89.03828	2.5
89.78346	0.3
93.03361	0.7
96.95908	1.3
99.00772	1.7
101.02338	1.4
106.04133	0.5
108.02047	0.5
109.02926	0.4
113.02367	2.1
117.03359	7.0
119.04887	0.9
119.08609	0.4
121.02860	1.0
123.04385	0.4
125.02331	1.2
131.03423	0.7
132.02065	2.3
133.01469	0.4
133.02875	0.5
134.03641	91.9
135.03934	2.2
136.01585	6.7
137.02353	2.5
139.03964	0.9
145.02855	1.1
145.04964	0.4
147.04440	0.4
149.02402	0.4
149.06010	7.3
150.03082	0.6
150.04134	0.6
151.00253	0.5
151.03918	7.8
160.01588	8.4
163.03946	1.3
164.04768	0.5
165.01747	0.5
165.05479	0.6
173.04562	0.4
174.01704	0.6
175.00221	0.4
175.03932	13.4
176.04308	0.5
178.02646	6.8
179.03308	0.4
181.08702	0.6
181.76588	0.4
190.02638	0.9
193.05002	100.0
194.05356	4.4
195.06499	0.5
205.04884	0.8
209.11732	0.6
223.06027	0.6
224.96393	0.4
267.07095	0.6
271.02252	0.4
301.03281	0.5
315.14545	0.4
327.12506	0.6
339.12335	1.6
357.13474	4.3
401.80008	0.4
402.51102	0.4
407.94702	0.4
578.68451	0.5
592.84131	0.4
615.20154	1.1
633.21960	2.8
651.22974	0.7
783.36133	1.1
826.39771	1.4
827.27466	1.4
827.39453	1.4
828.27130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90778	0.8
59.01256	0.9
63.96103	2.4
67.29122	0.9
69.03345	1.2
69.49181	3.5
69.49609	2.9
71.01263	8.7
73.02824	1.8
75.50065	0.7
78.98463	7.3
79.95609	16.7
80.96395	93.0
85.02821	3.0
87.00761	3.1
94.97973	22.5
95.01326	0.8
96.95877	1.3
97.02831	2.1
99.00732	1.4
101.02332	2.6
102.61833	0.7
104.58227	0.7
106.97961	3.3
122.97453	3.5
125.02312	3.2
127.03982	0.8
134.97475	6.9
136.98996	2.3
138.64183	0.8
146.97476	0.8
148.99022	6.5
152.98512	8.4
163.52538	0.8
164.98561	14.5
206.99644	4.0
209.11751	1.9
225.00716	23.2
226.01004	1.2
251.76620	0.9
267.17023	0.7
283.26419	1.9
510.71097	0.9
541.19598	1.9
717.27557	0.9
793.44495	0.9
825.46771	100.0
826.32996	1.5
826.47223	18.0
826.61688	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	3.7
59.01250	55.2
60.35116	2.6
63.56132	3.7
67.05405	7.6
69.03326	12.4
69.37879	12.3
69.38314	17.2
71.01255	72.4
72.99176	6.5
73.02820	16.4
75.00756	4.8
81.03338	11.0
83.01250	8.0
83.04899	4.3
85.02828	42.6
89.02322	25.3
90.90574	3.3
96.95920	5.3
97.06502	3.0
99.00735	5.2
101.02331	12.3
109.06470	6.8
109.85194	3.4
111.04406	88.3
112.04742	4.9
113.02303	9.6
116.92739	3.7
119.03397	3.2
119.08562	68.6
121.10139	10.4
125.05917	4.1
125.09618	10.4
131.03416	4.1
132.48584	2.8
152.61371	3.1
158.33328	2.9
163.07581	27.9
163.11232	4.4
165.09119	13.1
167.10616	3.7
169.08612	14.6
181.08635	42.6
183.10135	8.2
199.09842	3.1
207.10222	4.0
209.11835	3.1
211.13551	3.5
295.11771	4.9
297.13403	5.7
309.13434	7.3
311.15137	3.5
313.12958	8.0
315.14417	7.7
327.14642	4.3
329.15976	3.0
335.10165	2.6
452.34854	3.1
548.55353	3.4
607.27979	14.0
625.28705	44.2
626.28729	5.7
643.29749	51.7
644.29578	4.4
777.37299	18.4
789.37128	34.3
790.37402	9.6
795.38171	57.5
796.38245	8.3
807.38062	100.0
808.38562	26.1
825.39264	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	825.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	64.9
67.05395	6.9
69.03323	15.5
71.01257	85.9
71.04877	4.2
72.99168	9.1
73.02830	20.8
78.10695	2.6
81.03345	7.9
82.84068	3.2
83.01269	6.5
83.04914	7.7
85.02833	37.4
87.00731	3.9
89.02329	28.1
96.95837	3.1
97.93307	2.6
98.19785	8.3
99.00763	7.0
101.02318	14.3
103.03893	7.7
108.02112	2.9
109.02859	5.8
109.06472	7.5
111.04408	88.8
112.62850	3.0
113.02327	8.0
116.92749	9.1
119.03385	3.4
119.08564	76.0
120.08936	3.7
121.10087	8.5
125.09610	11.5
131.03389	4.8
163.07574	29.1
163.11180	3.4
165.09125	13.1
167.10739	3.2
169.08592	11.7
181.08623	44.7
183.10161	10.6
199.09721	5.8
209.11763	8.7
211.13269	4.4
222.39171	2.8
229.31830	4.2
276.30322	3.0
295.11884	4.2
297.13428	4.0
308.41177	3.2
309.13257	4.9
311.15207	5.2
313.12979	6.1
315.14389	11.7
327.14496	7.4
329.16165	4.0
446.96017	3.3
448.57870	3.0
481.24347	3.7
607.27502	12.8
608.28180	4.0
625.28760	51.6
626.29193	8.8
643.29688	47.9
644.30316	8.0
659.25757	3.2
719.32294	3.5
737.34064	3.5
777.37097	12.0
789.37024	39.5
790.37311	10.2
795.38220	60.5
796.38123	16.2
807.38086	100.0
808.38721	30.8
825.39246	12.8
840.56311	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	824.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	5.5
67.01764	1.0
69.03327	1.3
70.32976	3.7
71.01279	0.9
75.00776	0.9
78.95776	7.0
80.02569	1.5
81.03336	4.9
83.01266	10.3
83.04920	3.3
90.89827	0.8
95.04922	4.3
97.02838	4.2
97.06470	8.3
98.20601	0.9
100.51904	0.9
106.04111	1.0
107.04930	1.0
109.06495	1.8
110.03621	1.4
119.04786	0.9
121.06450	1.9
123.04428	7.3
123.08060	2.9
125.09615	16.7
135.08067	2.3
137.05948	2.0
137.09610	6.7
141.12830	2.2
142.02611	0.9
142.44954	0.8
147.11670	1.1
149.05995	2.4
149.09639	1.2
152.99487	1.3
156.15350	0.9
163.07559	2.2
163.11203	14.7
164.08411	1.0
165.09087	1.5
165.12785	3.3
167.10730	1.9
168.04239	1.1
171.10233	1.8
177.12785	1.2
181.12294	3.8
185.07469	1.1
185.11760	13.6
191.10661	4.3
191.14355	17.2
197.11769	1.0
207.10194	7.5
209.11774	78.0
210.12108	3.2
211.13374	1.7
216.15106	0.9
217.15927	1.6
225.11360	7.6
242.07971	3.5
245.19096	31.6
245.21671	1.6
246.19385	1.7
247.17250	1.1
263.20245	2.8
270.04352	0.9
271.17032	3.1
277.21725	100.0
278.22153	6.3
289.18103	96.7
290.18372	8.0
307.19144	85.6
308.19492	5.3
502.29428	40.1
503.29715	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	824.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	2.0
59.01253	59.8
61.41441	0.8
61.98720	1.1
68.99692	2.3
69.03318	1.9
71.01256	31.9
71.97302	0.7
72.01579	0.8
72.99180	9.2
73.02820	5.0
75.00745	15.8
83.01286	1.9
84.02060	1.0
85.02830	26.3
87.00755	8.3
88.88924	0.9
89.02321	11.6
91.03873	1.4
93.03367	1.0
95.01266	5.0
96.95871	2.9
97.02856	0.8
99.00753	11.1
101.02332	11.5
103.00271	1.7
111.00739	2.0
111.75482	0.9
113.02337	25.1
113.46291	0.8
115.00262	2.6
115.07523	2.3
116.92654	0.9
117.01824	2.1
119.03373	2.8
119.04912	0.9
121.02869	0.9
126.81210	0.8
129.01849	2.1
131.03423	1.3
133.01431	2.4
134.04582	2.1
136.01550	1.0
137.09604	0.9
149.02379	0.8
150.03046	1.2
150.04111	4.4
155.10672	1.5
156.10211	1.4
157.08633	1.2
158.11763	3.7
161.04460	1.8
163.04056	0.8
165.05522	2.2
171.10167	0.8
175.02385	3.1
175.03816	0.9
195.06491	1.1
199.13333	0.9
209.11751	3.0
225.11218	1.3
249.06146	9.2
250.94232	0.8
267.07224	6.7
309.08368	5.6
351.73279	0.9
369.63928	1.0
457.76340	0.9
487.34076	0.9
524.25653	0.9
538.30688	0.9
574.32501	1.2
631.44360	0.9
689.33948	3.2
780.34735	1.0
806.38202	3.8
824.39221	100.0
825.39685	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	824.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.3
59.01253	55.7
61.26743	1.3
61.98688	1.4
67.00130	1.0
67.01758	1.2
68.99697	2.1
69.03318	1.7
71.01253	35.8
71.30476	1.0
71.58077	2.1
72.99183	8.9
73.02814	6.0
75.00751	16.4
78.95746	1.1
83.01265	3.4
84.95293	1.0
85.02828	25.9
87.00723	7.8
89.02314	11.8
93.03306	2.0
95.01250	5.0
96.95888	27.9
99.00758	10.2
101.02321	10.9
103.00228	2.1
111.04375	1.3
113.02333	26.7
115.00262	1.7
117.01817	1.4
119.03416	2.2
119.04873	1.8
121.02852	2.5
123.00799	1.2
125.02324	1.3
129.01855	2.2
131.03467	1.2
133.01506	1.4
134.03642	1.2
149.02312	2.8
150.03114	4.0
150.04158	2.3
152.99577	1.1
156.10107	2.1
158.11729	3.1
161.04437	1.5
165.01894	2.3
165.05464	3.4
175.02368	4.3
175.03818	2.0
181.05031	1.8
190.02686	1.8
195.06635	1.3
205.07103	2.0
209.11682	2.3
211.13303	1.9
231.05177	1.4
233.62163	1.1
249.06168	11.0
267.07175	7.5
306.07492	1.8
309.08331	5.6
313.03421	1.6
329.15778	1.5
402.52551	1.1
474.65765	1.2
476.59381	1.3
689.34747	1.5
780.42688	3.1
781.33337	1.7
806.38123	4.0
824.39197	100.0
825.39813	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	823.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	0.7
59.01250	10.3
69.03330	3.3
69.59737	2.4
69.60140	0.6
71.01254	10.0
72.99188	0.7
73.02830	1.5
78.95739	0.5
80.96382	0.5
81.03350	0.4
83.01260	2.2
83.04878	0.5
84.02042	0.5
85.02827	11.8
87.00757	1.5
89.02320	6.9
91.03873	0.7
95.04921	1.0
96.95872	0.6
97.02826	2.6
97.06486	2.9
99.00764	1.1
101.02327	5.8
103.03888	0.5
109.06480	0.4
111.08070	0.6
111.46439	0.4
113.02341	4.2
119.03365	2.1
123.08022	0.8
125.02355	1.0
125.09612	7.5
127.07587	0.6
127.11166	2.0
133.04926	0.5
137.09608	2.8
143.03403	1.1
153.09238	0.4
155.10701	1.2
161.04478	3.6
163.11101	0.6
165.12755	1.2
171.10187	38.2
171.77016	0.4
172.10501	0.7
177.12790	0.6
179.05542	1.1
183.13846	2.4
185.11774	0.6
187.09749	2.7
193.12291	0.9
195.13815	1.2
197.11807	1.0
200.65225	0.5
201.11258	1.7
209.11748	1.4
211.13338	13.4
212.13643	0.6
216.15041	0.4
221.11760	1.9
227.12801	0.7
229.14420	8.0
230.14717	0.6
235.08228	7.1
239.12852	1.9
247.20656	0.7
253.09273	30.4
254.09555	0.9
255.23279	2.9
273.18555	0.5
277.21729	69.9
278.22134	4.4
291.19653	8.0
292.20004	0.7
293.21182	2.1
295.22748	4.4
309.20700	25.6
310.20950	1.8
311.22330	0.8
320.24832	0.5
325.20377	0.5
327.21759	100.0
328.22086	6.0
351.21884	0.8
397.13580	0.5
545.29468	2.9
563.30707	4.3
587.43237	2.5
740.37512	0.5
803.53973	0.4
823.46942	7.7
824.47528	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.7
70.18539	1.7
71.01250	2.0
81.03367	0.7
83.04906	2.2
93.03354	0.8
95.04903	2.5
97.06457	0.7
109.06477	1.6
111.08044	16.3
113.09611	1.9
121.06501	0.6
123.08035	0.6
135.11691	0.8
137.09610	1.6
139.11247	0.6
144.60632	0.5
149.09622	1.3
151.11205	3.8
163.11249	1.5
165.12743	4.3
167.10727	4.5
167.56215	0.5
171.10172	0.9
177.12793	3.4
179.10736	4.7
181.12276	4.6
191.10710	3.2
195.13864	11.2
197.11891	0.8
203.14337	0.5
209.11804	19.4
209.15179	0.7
211.13383	0.9
223.13412	1.0
227.12810	1.0
229.19543	0.7
247.20645	6.4
248.20869	0.5
263.20114	0.6
265.21555	0.6
273.18576	2.9
277.21701	2.7
281.21344	0.7
291.19687	100.0
292.20090	6.2
309.17325	1.2
309.20651	7.6
314.33466	0.5
390.91238	0.6
427.40158	0.5
576.10541	0.6
619.02271	0.7
823.41278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	1.1
59.01250	18.2
69.03337	4.0
70.11301	3.3
70.11653	1.4
71.01252	17.6
72.99159	1.5
73.02815	2.7
78.95792	1.4
80.96381	1.5
81.03310	1.1
83.01264	2.1
83.04904	1.4
84.83031	0.8
85.02818	13.8
86.34189	0.8
87.00765	2.3
89.02312	12.1
91.03883	1.1
95.01254	2.2
95.04913	1.4
97.02810	3.9
97.06480	9.4
99.00784	0.9
101.02319	13.2
113.02342	7.1
119.03371	3.2
119.07523	1.0
119.08440	0.9
123.08059	3.5
125.02300	2.4
125.09622	46.6
126.09956	2.3
127.11217	1.2
133.05035	0.9
137.09642	3.8
155.10655	2.4
161.04489	4.7
165.12804	1.1
165.73550	1.0
171.10193	35.9
177.12769	1.7
179.05531	2.4
183.13840	2.3
187.09673	21.9
197.11835	1.4
200.23502	0.9
201.11281	2.3
209.11769	1.4
211.13324	13.8
212.13571	1.4
221.06682	0.8
221.11803	1.6
227.12595	0.8
229.14421	8.9
235.08231	5.9
239.12849	1.8
247.20746	0.9
253.09297	26.5
255.23265	23.8
256.23608	2.3
277.21729	75.4
278.22043	5.3
291.19617	9.3
293.21353	4.0
295.22662	2.4
309.17245	1.7
309.20728	27.9
310.21008	2.0
311.22369	3.9
327.21762	100.0
328.22049	5.3
380.70941	0.9
397.13507	3.1
545.29974	2.7
563.30841	4.0
567.22986	1.8
585.23969	1.5
587.43250	1.8
823.46979	61.9
824.47455	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	823.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	64.0
61.98700	9.0
67.05377	4.0
69.03316	14.8
69.61650	3.5
70.11256	8.4
70.11674	10.3
71.01257	57.3
72.99177	9.5
73.02818	26.9
80.96384	3.9
81.03332	11.7
83.01250	9.2
83.04888	6.8
85.02822	35.4
89.02316	16.0
96.95878	4.6
97.02834	4.9
98.19754	3.1
99.00756	12.4
99.04378	11.1
101.02317	21.7
103.03876	8.8
109.02834	4.8
109.06458	4.3
111.04404	35.5
113.02393	3.7
119.08568	19.5
121.10107	26.0
123.08019	3.4
125.02369	4.1
125.05935	3.4
125.09567	7.0
127.03918	7.5
130.66306	3.5
137.57225	3.3
139.11148	7.8
145.04915	4.7
163.07536	8.1
165.09113	30.9
167.10632	12.0
169.08609	8.9
181.08641	27.2
183.10216	19.6
193.78818	3.5
201.11230	5.7
209.11743	4.7
211.13358	5.9
232.62172	3.6
237.97836	3.1
311.14993	22.6
329.16068	36.3
477.25146	3.9
481.24094	6.8
493.24506	11.8
541.76654	3.6
623.30615	44.4
624.30676	3.8
639.30646	6.5
641.31757	100.0
642.32159	13.5
735.36401	6.3
737.62457	4.5
738.14355	4.2
793.39954	45.7
794.39825	8.0
805.40253	67.2
806.40179	12.3
823.40961	43.4
824.41809	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	823.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	8.1
59.01252	95.5
61.98687	4.9
67.05396	3.1
68.77711	3.5
69.03338	13.4
69.86642	18.5
71.01257	83.8
71.04906	3.0
72.99187	6.5
73.02831	35.1
76.20210	3.3
81.03325	18.2
83.01260	6.4
83.04926	8.9
85.02835	44.1
87.00752	4.1
87.49276	2.5
89.02325	20.3
97.02827	4.3
99.00767	10.1
99.04413	9.9
99.73904	3.0
101.02330	20.9
103.03896	10.9
108.02066	3.2
109.02838	6.8
111.04414	63.2
112.04802	4.4
113.02382	3.1
118.14981	2.7
119.08577	7.6
121.10130	34.9
123.04385	3.9
125.05972	5.3
125.09641	5.9
126.03110	5.5
137.81699	3.1
139.11235	7.6
145.04942	7.5
149.37207	2.6
165.09111	25.9
167.10686	16.2
169.08604	5.0
171.10124	3.5
181.08636	45.5
183.10202	12.0
194.57999	3.4
199.83217	3.5
221.83000	3.5
228.56061	3.5
267.56265	3.4
309.20639	3.9
311.15048	21.3
312.15640	3.2
329.16046	35.9
330.16486	3.2
477.25031	7.5
481.24796	4.9
493.24423	11.3
623.30829	47.1
624.31451	10.4
639.29779	5.3
641.31787	100.0
642.32251	16.0
735.35913	11.0
793.40137	61.0
794.40643	14.6
805.40259	96.0
806.40674	18.8
823.41370	22.6
824.41431	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	823.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	2.3
59.01253	47.9
61.98684	3.1
69.03326	15.2
71.01255	44.2
71.04887	4.7
72.99178	6.9
73.02823	17.5
81.03333	7.1
83.01254	7.0
83.04874	4.9
85.02827	25.4
89.02320	6.5
99.00768	4.1
99.04403	5.6
101.02306	12.4
103.03900	4.2
108.02111	2.6
109.02781	4.7
111.04404	15.5
111.08046	2.9
119.08560	46.8
121.10114	9.2
121.95798	2.3
127.03905	4.1
127.07578	4.9
129.26471	2.4
139.11208	22.1
145.05040	2.7
154.77936	2.8
163.06252	3.0
163.07562	11.5
165.09084	12.4
167.10716	5.8
181.08591	9.3
183.10201	44.1
197.11708	2.8
201.11282	3.7
209.11797	3.1
225.11243	4.2
309.13571	3.9
311.14944	8.3
327.14526	8.0
329.16269	12.4
329.19504	2.6
408.64880	3.1
495.25784	11.4
623.30554	7.2
639.29822	19.3
640.30103	3.6
641.31793	17.3
657.31635	17.4
735.36847	3.4
793.40430	15.8
794.40601	5.0
805.40143	65.0
806.40375	11.5
823.41278	100.0
824.41919	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	823.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
63.10377	2.0
66.35562	1.8
71.01253	27.7
73.02822	8.8
75.00756	1.9
83.01259	4.3
85.02826	7.5
87.00744	4.6
89.02326	17.6
92.21920	1.7
95.01291	2.9
97.15096	1.8
98.20598	3.1
100.01541	1.7
101.02332	22.1
113.02345	13.2
119.03384	8.1
119.04865	3.9
125.02375	1.8
139.29097	1.7
145.02895	2.8
152.01053	2.0
161.04477	4.7
163.11188	3.6
173.04485	5.6
179.05470	2.0
181.34561	1.7
187.13387	4.6
191.05557	3.9
207.10207	9.0
226.13515	1.8
233.06650	9.3
260.32227	1.9
287.08270	1.8
307.05264	2.0
319.08154	2.7
324.13760	2.2
331.17606	21.9
349.18549	12.7
387.16644	99.2
388.16910	9.3
391.19666	32.2
392.20389	3.1
416.19852	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.4
59.01254	5.9
68.22079	0.4
69.03335	1.5
69.56285	1.1
69.56700	2.7
71.01260	5.2
72.28081	0.4
73.02834	1.1
73.41711	0.4
80.96391	0.9
82.95943	0.4
83.01270	0.8
83.04907	0.8
85.02834	1.8
87.00765	1.0
89.02318	4.2
95.01265	0.7
95.04929	0.5
97.02838	3.6
97.06467	0.7
101.02341	5.8
102.31361	0.5
111.08032	3.8
113.02365	2.9
119.03427	1.2
121.10152	0.5
125.09598	0.9
127.07595	0.6
137.09616	1.3
161.04442	2.4
163.11194	1.4
165.12753	2.6
169.12296	1.2
171.10191	3.8
177.12775	0.6
179.05540	1.3
179.14307	1.2
181.12280	1.3
183.13863	1.3
193.12303	1.3
195.13849	9.1
196.14441	0.6
197.11775	13.7
198.12158	0.7
199.13339	1.4
205.12373	0.7
205.15939	0.6
209.11780	1.1
211.13361	4.7
212.13808	0.6
223.13336	6.9
224.13571	0.7
227.12892	2.0
228.13596	0.7
235.08199	2.0
247.20665	2.1
253.09285	26.6
254.09631	1.4
256.13217	1.2
263.20126	0.9
273.18597	1.2
275.20193	5.9
276.20566	0.5
277.21521	0.6
291.19687	28.4
292.20029	2.3
293.21237	100.0
294.21555	8.0
309.20724	67.8
310.21088	5.4
383.50629	0.5
529.30542	0.6
545.30096	1.1
585.41461	3.2
618.83118	0.6
634.59204	0.6
753.38031	0.5
821.41803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.8
59.01260	6.9
61.98724	2.0
70.51320	0.8
71.01286	7.5
73.02823	1.6
75.78527	0.7
78.95793	2.5
79.95602	1.0
80.96404	3.7
82.95987	1.7
83.01290	0.9
85.02832	2.0
87.00761	1.6
89.02323	4.7
91.01071	0.8
94.97981	1.7
96.95917	3.4
97.02879	1.6
97.06486	2.9
99.00739	1.3
101.02328	6.7
106.34816	0.8
111.08065	1.9
113.02341	3.4
113.09629	1.9
115.07570	1.0
119.03393	1.2
125.09686	0.8
159.02826	1.0
161.04514	2.0
163.11188	1.4
165.12843	1.6
167.10715	1.3
167.14291	1.5
171.10228	2.4
179.05579	1.1
179.14262	1.6
181.12280	2.4
191.14351	1.2
193.12305	1.6
195.13857	11.2
196.14343	1.3
197.11839	1.3
205.12189	1.0
209.11800	4.5
210.12138	1.5
211.13322	3.6
221.15486	1.8
223.13385	8.4
225.14911	0.9
228.13673	1.3
231.21117	1.5
235.08250	4.3
241.14467	2.7
242.14815	0.8
245.19205	1.1
247.20653	3.0
253.09279	21.8
254.09615	2.5
256.13126	1.4
265.21793	0.9
273.18631	1.9
275.20190	5.6
277.21790	1.3
279.23416	2.3
280.23599	1.7
281.21255	1.7
289.18011	5.4
290.18561	4.3
291.19687	33.7
292.20093	3.7
293.21237	100.0
294.21567	13.1
295.21924	2.4
307.19116	4.1
308.19485	3.6
309.20731	93.8
310.21014	8.2
429.41333	0.9
527.28784	2.2
529.29700	1.4
536.17395	0.9
545.29626	12.8
546.29797	1.3
585.41278	1.0
695.64563	0.9
703.00812	1.0
729.45782	2.2
747.47089	1.2
752.43060	1.4
821.41998	4.6
821.52905	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	821.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.7
59.01043	0.5
59.01257	5.1
61.98687	1.8
65.14254	0.5
69.03327	1.3
69.28207	1.3
69.28610	5.2
71.01251	6.4
71.04862	0.4
72.11388	0.5
72.64874	0.5
73.02784	0.8
80.96400	1.3
83.01276	0.8
83.04917	0.7
85.02818	1.3
87.00767	0.9
89.02312	3.8
94.97977	0.5
96.95887	1.0
97.02825	2.9
97.06454	0.9
101.02309	5.1
109.06457	0.8
111.08046	4.1
113.02306	3.1
119.03365	1.2
125.09657	0.7
133.94803	0.5
137.09538	0.9
143.03377	0.6
151.07056	0.5
153.12738	0.6
161.04478	2.3
163.11145	0.8
165.12764	2.5
167.10677	1.0
169.12279	2.4
171.10158	3.4
179.05478	0.6
179.14326	1.8
181.12227	1.1
183.13866	0.7
193.12280	0.6
195.13844	8.0
196.14238	0.7
197.11761	19.7
198.12099	1.0
199.13283	1.1
205.16064	0.5
209.11780	1.7
211.13367	5.2
214.40237	0.6
223.13321	6.4
227.12891	2.6
231.21127	0.8
235.08186	1.5
247.20703	2.0
253.09258	25.7
254.09814	0.9
256.13074	1.2
263.19965	0.6
264.47952	0.5
265.21802	0.8
273.18610	1.4
275.20145	7.8
276.20325	0.9
289.51062	0.5
291.19662	27.6
292.19998	2.4
293.21228	100.0
294.21509	7.4
309.20709	61.3
310.21075	4.8
463.62921	0.5
545.29510	0.9
585.41583	1.9
819.95148	0.7
821.42200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.7
61.98702	100.0
62.59106	1.2
69.72660	10.4
71.01255	7.4
72.99184	1.8
78.95777	4.2
80.96369	7.3
85.02844	1.6
94.02403	1.3
96.95927	3.0
98.20497	2.0
99.00798	1.7
99.53262	1.8
101.02282	3.0
122.22511	1.4
125.02335	1.6
171.10109	1.8
172.22166	1.3
181.08618	2.2
181.12518	1.5
192.60387	1.4
199.33257	1.3
209.11778	2.1
225.00578	1.9
285.07773	1.5
295.22650	1.6
387.25479	3.4
405.04922	1.4
405.26413	5.3
695.71252	1.7
785.39661	33.5
786.39777	7.6
821.37970	24.4
822.38531	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	821.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59487	5.3
59.01248	21.7
61.98704	83.6
71.01264	19.0
78.57159	6.3
78.95779	9.7
79.95608	10.4
80.96387	35.9
85.02821	6.8
89.02335	12.1
94.97980	11.3
96.95905	7.0
101.02322	9.1
121.71950	5.2
125.02316	6.6
164.58130	4.7
165.71944	6.1
171.10231	11.1
179.05641	5.2
211.13466	13.3
229.55777	6.3
293.21347	10.0
299.33392	5.1
318.42810	5.6
385.78220	5.4
387.25223	8.2
397.13370	7.8
405.26535	13.2
414.15793	6.5
778.40710	7.1
785.39551	100.0
786.39838	15.8
821.37964	73.4
822.38953	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	819.491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.5
60.74120	1.1
61.98706	28.6
67.61615	1.1
69.03338	1.3
71.00896	1.0
71.01252	7.9
71.57806	2.3
71.58211	2.0
73.02829	1.5
74.90690	1.1
78.95793	2.5
81.03336	1.4
83.01271	2.3
86.82763	1.1
87.00767	1.3
87.34246	1.1
89.02328	5.1
95.04910	2.7
97.02808	1.6
97.06477	3.2
101.02334	6.0
113.02358	3.6
119.03396	2.0
120.28242	1.2
121.10150	1.4
123.08041	1.5
125.09615	3.6
125.95801	1.3
132.46127	1.2
137.09566	1.9
147.64427	1.3
161.04471	3.2
163.11192	5.4
165.12767	1.3
171.10126	1.8
178.51187	1.2
181.12247	1.7
185.11887	4.0
191.14363	5.5
193.12367	1.3
194.35715	1.2
195.13815	7.2
197.11708	2.4
207.10213	2.5
209.11790	16.3
211.13420	3.5
223.13304	5.7
225.11301	2.2
235.08195	2.2
237.11292	4.1
245.19102	11.7
253.09279	20.1
255.23239	1.4
263.20221	3.3
271.17065	2.4
275.20193	7.2
289.18112	64.0
290.18546	3.4
291.19669	10.4
293.21243	100.0
294.21594	6.0
307.19165	58.9
308.19519	2.8
309.20728	7.2
321.24194	1.4
446.74612	1.3
543.27960	2.0
565.38568	1.3
753.33612	1.5
819.49762	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	821.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	37.4
63.02265	2.6
63.65021	2.4
65.00203	5.6
71.01257	8.1
71.57890	3.8
73.02800	3.0
75.83372	2.4
85.02826	4.8
89.02333	2.7
99.00739	3.1
101.02322	5.7
107.01267	12.0
109.02837	2.9
110.28089	2.4
113.02308	3.8
121.02854	3.0
134.58704	2.1
137.02287	2.8
150.03146	2.5
151.00276	47.3
160.01611	4.2
161.02354	6.7
163.00340	2.3
165.01816	5.3
165.05527	2.8
166.02684	6.4
169.01305	3.1
175.00307	5.0
175.02429	3.5
175.03932	4.7
178.99777	10.8
179.03426	3.4
181.04973	6.2
188.04584	2.8
191.03340	3.4
195.06595	7.6
199.04002	4.0
203.03397	3.8
227.03426	9.7
236.06664	3.2
243.02975	8.8
250.82568	2.6
251.09036	3.7
255.02943	13.6
271.02478	67.2
272.02789	4.0
284.03326	12.2
285.04016	10.0
299.01968	97.3
299.15173	2.6
300.02658	43.9
301.03537	100.0
302.03833	9.8
315.05063	10.5
317.16046	5.4
323.07681	4.0
359.16977	5.2
363.51807	2.8
417.08072	15.3
433.14954	3.9
447.09384	11.6
638.12329	8.1
639.13428	46.7
640.13739	5.5
657.85284	2.8
659.23230	13.6
728.79688	2.8
728.93567	3.4
785.19312	86.5
786.19525	17.9
821.29059	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	819.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.9
58.00460	1.0
58.88835	0.7
59.01249	9.9
61.98703	6.3
69.03328	1.2
69.35491	6.2
69.35908	1.2
71.01258	11.6
72.99190	1.1
73.02818	1.7
78.95778	2.7
78.98466	2.6
79.95599	3.1
80.96395	24.0
81.03334	2.0
83.01245	1.6
83.04900	0.9
85.02827	3.3
87.00752	2.7
89.02330	4.8
89.42236	0.7
90.28752	0.7
94.97976	7.2
95.01260	1.0
95.04907	1.0
97.02840	2.4
97.06471	3.0
101.02325	7.9
106.98001	1.4
109.06522	0.7
111.00723	0.8
111.08051	3.0
113.02370	3.5
113.09599	0.7
119.03366	2.0
119.08504	0.8
121.10085	0.9
122.97462	1.6
123.04403	1.9
123.08059	1.5
125.02338	2.2
125.09624	3.5
134.97462	2.0
135.08107	1.0
137.09618	2.2
148.99054	1.6
149.02234	0.7
149.09608	1.1
151.11186	0.8
152.98495	2.4
154.61374	0.7
161.04453	4.7
163.11186	5.9
164.98540	4.1
165.12741	2.2
167.10640	1.0
171.10164	1.0
177.12766	1.5
181.12247	1.5
185.11757	4.6
191.10751	1.1
191.14404	5.4
195.13815	8.0
197.11734	6.4
205.12206	0.9
207.10208	3.0
209.11777	13.9
211.13324	5.4
223.13298	5.9
225.00743	6.1
225.11205	3.4
227.12743	1.7
235.08136	3.4
237.11238	4.4
241.14465	1.1
245.19072	13.4
247.20441	1.0
253.09268	25.8
254.09509	1.0
255.23387	0.8
256.13193	1.1
263.20132	2.4
271.17062	1.9
273.18704	1.0
275.20187	7.4
277.21735	1.5
279.23260	1.7
289.18103	64.4
290.18442	4.0
291.19669	30.1
292.20023	2.9
293.21231	100.0
294.21576	6.3
307.19162	54.9
308.19443	3.2
309.20731	14.7
482.20297	0.8
525.27173	0.9
527.28387	1.8
543.28473	1.7
559.25781	0.9
615.30597	0.7
819.41870	20.3
820.41864	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	819.491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	5.0
61.98710	16.1
65.04997	0.9
68.89349	0.9
71.01265	4.2
71.04906	1.4
73.02824	0.9
75.00771	0.8
78.95764	2.1
79.95596	1.3
80.96401	2.7
81.03340	1.0
83.04916	1.6
85.02836	1.1
87.00760	0.9
89.02330	3.7
92.47021	0.8
96.95922	1.3
98.03611	0.8
98.19669	1.9
101.02339	3.7
109.06493	7.8
111.04425	2.3
113.02308	1.4
121.02855	1.3
121.36478	0.9
121.38356	0.9
123.08077	1.3
125.02298	1.2
126.82839	0.9
135.08057	1.0
135.55740	0.9
137.09702	1.1
145.06517	1.5
156.10475	0.9
161.04425	2.0
165.01904	1.2
171.10107	1.5
174.01637	1.0
177.12834	1.2
195.13840	7.8
209.11784	3.0
211.13368	1.9
219.65878	0.8
223.13342	3.5
225.00726	1.2
229.67470	1.3
235.08212	1.7
245.19127	5.2
253.09268	17.8
275.20078	5.7
277.21628	2.6
287.16669	1.0
289.18115	100.0
290.18494	8.5
291.19647	2.6
293.21259	70.9
294.21606	7.0
307.19113	6.1
309.20724	1.8
525.27020	1.8
819.39941	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	819.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.5
61.98703	6.5
64.78680	0.6
71.01256	5.3
71.04898	1.4
71.58238	0.8
71.58615	0.7
73.02802	0.8
75.00761	1.6
78.95786	1.1
80.96390	2.3
81.03345	0.7
82.95268	0.9
83.01255	0.9
83.04906	0.9
85.02821	0.7
89.02317	3.4
95.04861	1.2
101.02328	4.2
109.06486	6.4
111.04372	2.2
111.08044	1.1
113.02345	1.7
119.03395	0.9
123.08043	1.1
127.07498	0.7
130.73186	0.6
133.30920	0.7
143.10646	0.9
145.06490	1.4
149.09612	0.8
151.11201	0.8
152.99530	0.6
161.04456	1.7
167.10640	1.5
171.10226	0.9
177.12737	0.6
179.10681	0.7
181.12242	0.7
195.13835	9.0
209.11769	1.2
211.13284	1.0
223.13379	4.2
224.13765	0.6
228.13643	0.9
235.08255	2.7
245.19107	3.6
253.09267	17.7
256.13123	1.1
259.13663	0.6
269.48071	0.6
271.17007	1.3
275.20065	5.0
277.21631	0.9
287.16550	1.5
289.18103	100.0
290.18494	6.6
291.19720	3.9
293.21237	79.7
294.21500	4.6
307.19193	4.8
309.20880	1.7
331.97070	0.7
403.11539	0.6
455.19595	0.7
472.51007	0.7
525.27081	3.1
533.27814	0.7
819.42249	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.3
58.00458	1.9
59.01256	29.7
61.98702	2.5
68.99728	0.9
69.03329	2.3
71.01258	27.9
72.99186	2.2
73.02811	4.1
75.00745	1.8
78.95781	1.1
80.96394	2.6
81.03326	1.2
83.01244	2.8
83.04934	1.9
85.02834	5.6
87.00757	4.9
89.02326	16.7
95.01263	1.9
96.44062	0.9
96.95899	4.5
97.02840	4.2
98.20627	1.1
99.00758	2.3
101.02329	16.5
107.10891	0.9
109.06467	1.2
111.00826	0.9
111.08037	1.2
113.02344	8.6
119.03394	4.0
125.02338	4.1
143.03413	1.8
161.04442	2.7
163.11227	1.3
165.12787	10.1
169.12260	1.7
171.10213	1.5
179.05527	3.0
183.13843	75.2
184.14154	3.2
193.12196	1.6
197.11819	1.1
207.10199	2.0
209.11789	18.0
210.12044	1.4
211.13358	70.2
212.13675	3.0
212.71405	0.9
213.14871	2.8
221.06610	3.1
225.11249	1.2
227.12852	9.6
235.08170	3.6
253.09492	1.6
341.23407	3.6
341.79269	1.0
372.17447	1.0
379.12436	1.7
397.13535	18.5
398.14120	1.2
415.05630	0.9
415.14517	4.9
475.50793	1.0
607.26233	1.6
609.26947	1.2
625.26898	4.2
631.68854	1.0
801.38110	1.5
819.40216	100.0
820.40515	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	819.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	5.2
58.00475	2.4
59.01254	36.1
61.98707	11.8
69.03334	3.5
69.46282	1.2
69.62070	1.2
70.71460	2.6
70.71835	2.6
71.01257	54.0
72.99195	5.0
73.02818	16.7
75.00765	3.6
81.03331	3.8
82.95424	1.1
83.01252	8.2
83.04913	4.7
84.02049	1.6
85.02822	29.5
85.03290	2.1
87.00749	10.0
89.02321	17.3
93.03352	1.8
93.06978	1.5
95.01246	6.4
96.95899	5.8
97.02831	3.6
99.00753	8.7
99.04385	3.0
101.02319	28.9
103.03890	2.1
105.01794	1.7
108.02035	4.2
109.02846	5.1
109.06540	1.5
111.00793	1.4
111.04415	2.5
113.02348	16.3
115.00235	1.6
119.03412	5.8
119.04945	4.1
119.08547	14.1
121.02850	2.6
121.10110	3.2
123.04424	2.6
125.02375	6.1
127.03929	3.4
128.03456	3.4
129.01842	1.7
131.03427	4.3
137.02362	2.6
143.03398	1.8
143.04498	2.1
145.05019	2.5
145.06108	1.9
150.03111	2.6
150.04199	2.2
151.00320	2.1
151.03885	1.7
152.01085	4.3
153.01854	3.2
159.02960	2.9
160.01569	1.5
160.05211	2.7
161.04462	11.5
161.05774	2.2
163.03899	6.3
163.07574	4.8
163.11201	2.8
165.01837	1.6
165.09151	3.8
165.12825	2.2
167.10706	2.4
171.10210	2.6
175.02457	2.9
175.03886	2.0
179.05592	1.7
181.08539	2.5
183.10158	8.9
183.13831	2.7
190.02687	1.5
191.05666	1.4
193.05074	1.9
209.11792	44.6
210.12181	4.0
211.13342	38.8
212.13605	2.0
221.06668	3.3
227.12886	4.6
241.14430	3.4
263.12735	1.8
271.02490	2.4
275.56241	1.6
289.07077	3.3
299.02133	4.3
300.02798	5.9
301.03427	2.5
306.07614	6.5
307.07950	1.5
327.14648	1.6
329.14020	5.0
341.10974	1.7
379.12589	1.6
397.13629	14.7
415.14630	4.4
470.02884	1.3
473.20297	3.2
491.21402	10.2
491.28461	1.8
635.22949	1.9
653.24640	3.2
789.36151	2.8
801.35529	26.4
802.36047	2.2
819.36884	100.0
820.37286	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	819.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.0
58.00465	1.7
59.01256	34.0
61.67434	1.1
61.98709	5.5
67.01809	1.2
69.03330	4.8
71.01259	48.8
71.57991	1.7
72.99185	8.3
73.02827	16.7
75.00761	4.2
81.03349	4.9
83.01266	9.6
83.04892	3.7
85.02830	29.5
85.99972	1.1
87.00748	10.3
88.98672	2.4
89.02326	18.2
95.01266	4.1
96.95901	7.7
97.02844	2.6
99.00758	8.0
99.04398	2.0
101.02325	33.4
103.03916	2.4
103.73315	1.3
108.02065	2.2
108.03916	1.3
109.02850	3.2
111.04408	1.7
113.02337	16.1
115.00269	3.2
116.92747	1.6
117.03390	1.1
119.03397	3.7
119.05006	1.6
119.08559	20.1
121.10130	4.1
122.03664	2.5
125.02347	5.8
127.03889	2.4
131.03415	4.7
133.76752	1.2
135.04448	2.1
136.01570	5.7
137.02248	1.6
139.11177	5.6
143.03410	2.5
143.04498	2.8
145.01321	1.4
145.04991	1.9
149.02380	1.3
150.03091	2.7
151.00319	1.3
151.03978	7.3
152.01065	2.1
152.90231	1.4
159.02982	1.5
161.04495	10.5
163.03839	1.9
163.07581	4.8
163.11241	3.4
165.09138	3.1
167.10674	2.8
171.10248	1.8
174.01587	3.1
175.02422	4.0
175.03870	1.8
181.08640	2.8
183.10226	16.5
183.13823	4.7
184.10567	5.5
185.10620	1.2
193.04936	1.9
195.06552	2.7
199.09637	1.8
209.11792	36.2
210.12112	2.1
211.11462	2.5
211.13364	34.2
212.13702	2.6
221.06638	4.6
223.13400	1.6
227.12857	6.6
235.08214	2.3
241.14491	2.4
243.02946	1.7
255.02887	1.3
271.02490	3.0
289.07111	2.2
293.34085	1.3
299.01953	2.9
300.02744	4.6
301.03473	4.3
306.07785	3.2
317.15973	1.6
327.14655	1.8
329.16400	1.8
339.12302	1.7
357.13467	2.6
358.13708	3.7
359.14197	2.1
397.13406	12.4
415.14722	3.5
473.20490	3.8
491.21335	9.8
492.21283	1.5
616.01416	1.5
635.22595	3.8
653.24054	3.7
654.24225	1.7
704.12433	1.5
789.35651	2.8
801.35370	23.3
802.35834	3.6
819.36768	100.0
820.36859	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	819.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	7.7
58.00468	0.6
59.01250	8.4
61.98699	1.1
67.76505	0.5
68.99702	0.6
69.03329	16.9
70.55053	1.3
70.55415	0.7
71.01257	12.5
71.04893	3.0
72.99181	12.1
73.02811	3.4
75.00754	1.7
78.95789	1.2
80.66137	0.5
81.03335	1.2
83.01257	2.1
83.04893	1.9
85.02830	7.0
85.06516	0.6
87.00767	2.2
88.98682	0.9
89.02325	4.9
93.03346	2.8
95.01265	1.9
96.94500	0.6
96.95899	1.6
97.02820	2.0
98.19888	0.7
99.00774	5.1
101.02332	5.9
103.04989	0.6
108.02056	3.3
109.02858	2.5
111.00758	1.1
111.04418	1.0
111.08026	2.0
113.02335	9.2
113.05978	0.9
115.00233	0.9
116.92741	0.7
119.03435	0.8
119.04926	1.2
121.02837	5.5
121.10151	0.6
122.03679	1.2
123.00794	1.4
123.04403	1.4
124.01556	0.8
125.02357	1.8
131.03392	1.3
131.04834	0.5
134.03636	1.3
135.04384	1.0
136.01573	0.6
136.05270	0.7
137.02335	3.9
137.05997	0.6
137.49113	0.5
139.03896	1.3
139.11195	29.1
140.11526	1.0
143.03412	1.4
143.04851	0.8
145.02885	0.6
145.06110	0.8
147.04440	2.3
149.02356	2.9
149.05960	0.6
150.03146	7.3
150.06752	0.7
151.00211	0.6
151.03935	1.7
152.01085	2.7
153.01842	1.4
153.05458	1.0
154.02740	0.5
155.03470	0.6
158.03590	2.7
159.04416	8.3
160.01604	0.9
160.05215	28.2
161.04480	1.7
161.05974	8.5
163.03905	7.4
164.04706	7.0
165.01935	0.7
165.05516	1.2
173.06012	3.8
175.02444	0.8
175.07565	25.2
176.04655	1.0
176.07999	0.7
177.05516	8.3
178.06297	7.1
178.99802	0.7
179.03484	0.8
179.05553	1.2
179.07022	0.9
183.10197	83.8
184.10541	4.1
185.11758	7.8
189.05612	0.6
192.07785	0.7
193.05101	0.8
193.08678	4.1
203.05609	0.6
205.08633	0.6
209.11781	12.5
211.13348	12.5
227.07216	0.8
227.12778	2.0
235.08218	0.7
257.06653	0.6
271.02429	1.1
275.07697	1.4
285.04065	0.6
293.08817	0.6
299.02133	0.6
300.02710	2.0
301.03549	1.1
306.07755	1.2
314.11642	0.8
315.12256	3.0
315.14825	2.2
324.10104	0.7
327.12531	0.8
329.13934	100.0
330.14328	6.3
339.12344	2.8
341.13708	0.7
345.13467	0.7
359.14990	9.0
379.12469	0.9
397.13489	5.8
415.14410	1.8
433.07547	0.8
503.18820	0.6
521.20050	1.8
605.22760	0.6
635.23450	56.7
636.23767	6.8
643.21851	0.9
651.22736	0.7
653.24518	33.7
654.24927	5.2
657.42181	1.1
819.25159	0.8
819.37335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.9
58.00460	1.5
59.01253	35.6
61.98700	2.8
69.03329	3.4
71.01255	69.2
71.58117	1.6
72.99183	5.2
73.02821	13.1
75.00748	3.0
83.01263	5.4
83.04890	1.4
85.02824	24.7
87.00770	3.6
89.02316	32.5
90.02674	1.2
93.03333	5.1
95.01245	2.5
96.95900	3.6
97.02847	1.9
99.00777	8.4
101.02325	16.9
102.05497	1.0
107.01266	1.6
108.02067	1.6
109.02846	2.9
113.02326	19.9
113.72282	1.2
114.05532	1.1
115.00236	1.4
115.16207	1.1
119.03416	1.7
119.04883	1.5
119.08571	1.1
121.02851	5.3
121.10119	9.4
122.03623	1.4
125.02332	5.6
128.03423	2.5
131.03383	13.3
137.02319	5.5
139.11240	5.3
143.03407	2.8
145.05083	1.2
145.06119	3.5
146.04559	1.5
147.04431	1.9
149.02376	3.2
149.04482	5.6
150.03139	4.2
151.00284	3.7
152.01076	2.6
152.94022	1.1
153.01857	3.5
158.03606	2.6
159.03230	1.5
159.04396	8.1
160.05202	18.6
161.04474	7.1
161.05968	5.6
163.03906	3.4
163.11176	1.7
164.04677	3.1
165.09111	4.5
169.01431	1.6
173.05916	2.2
175.02504	1.2
175.03935	1.7
175.07552	13.8
176.07906	1.1
177.05496	4.9
178.06310	5.1
178.99812	2.6
181.08612	3.2
183.10173	14.6
191.05508	1.4
193.08612	1.4
195.06638	1.5
199.09605	1.4
209.11772	19.2
211.13367	13.2
227.12762	3.2
266.45258	1.1
271.02594	2.4
297.13467	6.4
301.03668	1.7
306.07635	2.3
315.14484	100.0
316.14761	6.8
323.09525	1.4
329.09958	2.7
329.13885	49.0
330.14294	3.3
337.11490	1.5
357.15756	2.8
359.14969	6.7
381.15756	2.4
397.13382	4.9
399.16855	1.6
411.16541	1.7
415.14508	1.8
441.49869	1.2
459.18817	5.4
521.20789	1.2
605.22552	7.9
623.23798	4.3
635.23383	1.5
819.25873	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	819.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.6
58.00473	1.5
59.00952	2.1
59.01250	40.9
61.35674	0.9
64.27433	1.1
69.03331	1.9
71.01253	74.9
71.57800	2.1
72.01579	1.5
72.99185	2.6
73.02822	11.7
74.02338	1.3
75.00755	2.4
78.95795	1.4
83.01250	7.2
85.02822	24.9
87.00729	2.7
88.98681	2.4
89.02319	37.7
93.03342	3.0
95.01269	1.8
96.95900	3.0
97.02809	1.5
99.00744	4.5
101.02316	15.5
103.04996	1.7
104.29777	1.2
104.91527	1.3
109.02825	2.9
113.02329	17.6
119.03390	1.2
119.04861	1.4
121.02847	2.7
121.10122	9.1
122.03644	1.5
123.00761	1.9
123.04462	1.2
125.02367	5.7
128.03410	2.5
131.03391	10.9
134.03624	1.2
137.02303	5.6
143.03445	2.1
143.04489	2.3
145.06104	4.4
146.04475	1.2
147.04419	1.6
149.02299	1.8
149.04477	6.2
150.03192	5.1
151.00232	3.1
151.03900	1.7
152.01074	1.5
153.01825	4.0
158.03647	2.9
159.03279	1.0
159.04404	7.0
160.05214	18.4
161.04465	6.8
161.05971	7.6
162.03154	1.6
163.03906	4.8
164.04752	2.3
165.01901	1.2
165.05444	2.1
165.09138	4.5
173.05962	3.2
175.02519	1.2
175.03955	1.1
175.07613	13.2
177.05508	3.6
178.06207	3.4
178.99744	3.7
183.10197	2.3
183.13806	1.3
191.05472	1.2
193.04999	1.3
193.08617	2.3
195.02391	1.3
195.06589	2.2
207.10281	1.5
209.11772	8.6
210.12051	1.3
211.13312	7.2
268.66043	1.1
281.88580	1.2
297.13394	5.5
299.02097	1.6
300.02844	2.3
301.03510	1.9
306.07587	5.7
315.14478	100.0
316.14856	5.4
329.13885	45.4
330.14334	3.7
345.15811	1.8
357.15552	2.6
359.14972	5.0
369.15338	2.4
379.08569	1.2
381.15561	1.5
397.13608	2.8
411.16367	3.5
446.07343	1.2
459.18802	7.4
665.20221	1.3
789.33447	4.1
819.37128	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	819.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.1
65.14192	1.4
69.03342	1.5
71.01260	4.6
71.57925	1.4
81.03370	2.2
85.02827	4.0
93.03329	1.5
101.02340	3.8
108.02061	49.3
109.02850	76.5
111.00775	1.9
113.02339	4.9
121.02830	2.6
123.00761	3.5
123.04383	2.1
125.02367	3.0
131.96513	1.4
135.00755	1.9
135.04463	1.4
137.02383	2.7
149.02348	2.7
151.00320	2.2
151.03896	1.8
152.01062	59.2
153.01862	100.0
154.02153	3.6
163.03960	3.4
190.02682	1.4
193.03445	1.5
195.02917	5.2
207.49930	1.2
225.03970	1.9
247.45126	1.4
271.02560	2.2
297.06198	22.2
298.06299	1.6
315.07285	15.6
316.07477	1.8
323.16803	1.2
407.09839	22.6
408.10306	1.7
419.10092	1.3
433.07800	8.2
447.08951	1.8
451.08844	92.5
452.09128	9.5
493.10016	2.1
516.34473	1.4
587.78076	1.3
613.14343	11.4
819.19830	37.1
820.20300	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	819.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.4
59.01252	17.5
60.43690	1.0
61.98706	1.1
63.02266	1.2
64.67705	0.8
65.00197	2.1
69.00440	0.8
69.03311	1.8
69.98669	5.0
71.01256	22.5
72.01550	1.5
72.99184	2.4
73.02821	5.0
76.64892	0.9
80.73502	0.8
80.96391	0.9
81.03284	1.3
83.01257	5.1
83.04860	1.3
85.02818	8.9
87.00753	3.5
88.98713	0.8
89.02316	11.8
91.49366	0.9
93.03315	2.5
95.01257	1.7
96.95878	3.5
99.00736	2.7
101.02322	7.0
107.01260	5.4
108.02054	1.7
109.02836	3.2
113.02338	6.3
115.00178	1.4
116.92698	1.0
119.03391	1.7
121.02821	2.7
121.10107	3.4
125.02338	6.1
131.03337	2.8
133.02885	1.0
136.01564	4.9
137.02165	1.6
143.04471	1.3
149.02361	1.1
149.04408	1.7
150.06804	1.2
150.99164	1.2
151.00288	17.4
151.03896	5.3
153.01857	1.3
160.01643	1.3
160.05150	0.9
161.02304	1.6
161.04440	1.2
163.00278	1.4
163.03886	1.3
163.11153	1.4
165.01802	1.3
165.05423	1.2
165.09097	2.1
169.01378	1.3
171.10069	1.0
174.01630	1.3
175.02411	1.6
175.03902	2.7
178.99797	6.6
179.10696	1.4
183.10196	1.5
183.13736	2.9
185.11699	2.3
187.03940	0.9
190.02586	1.3
193.01288	1.6
195.06587	1.6
199.03909	2.6
205.05009	1.4
209.09938	1.4
209.11790	21.6
211.13338	18.6
215.03362	1.0
217.04930	1.0
226.02628	3.6
227.03320	3.1
227.12805	4.2
235.08244	1.1
235.13457	1.0
241.14384	1.9
243.02939	10.1
244.03401	1.1
245.04337	1.0
251.12520	1.0
254.02045	3.5
255.03009	6.3
263.12863	1.1
271.02478	54.6
272.02939	6.1
283.02405	2.2
289.07248	1.7
299.01965	28.6
300.02744	64.0
301.03519	100.0
302.03778	5.0
306.07574	2.2
313.03284	1.7
315.14474	15.5
316.14853	7.8
317.14951	1.9
329.13708	2.1
357.13385	1.8
358.13632	1.4
359.14252	1.2
397.13425	5.4
415.14548	2.1
447.09326	66.5
448.09607	6.3
507.23877	1.3
609.15631	1.3
639.30127	1.0
655.20007	2.1
657.28973	10.8
657.41785	2.5
658.28741	1.5
673.21405	13.5
674.21460	1.3
725.87531	1.0
769.03174	1.1
819.26715	38.5
820.26953	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	819.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.5
64.80251	2.0
69.03323	5.1
71.01260	15.2
71.58084	4.1
72.99171	2.2
73.02821	2.7
75.00797	2.4
78.95825	2.0
83.01257	4.5
85.02825	6.7
87.00729	4.8
89.02328	6.1
93.03327	10.6
95.01275	8.6
96.95857	3.0
97.02836	5.4
99.00739	4.8
101.02323	5.9
107.01263	4.2
108.02046	16.4
109.02832	11.3
112.03905	4.4
113.02354	6.5
113.04381	3.1
115.00295	3.6
119.04912	4.8
121.02798	2.1
121.60969	1.9
123.00773	28.4
123.03388	1.8
123.04385	10.4
124.01562	51.0
124.03978	3.4
125.02352	59.9
134.03622	7.5
137.02344	21.9
149.02312	6.0
149.99495	68.0
150.03069	3.1
151.00333	12.5
151.03981	2.8
152.01093	21.5
153.01794	8.0
160.01636	10.3
161.02362	5.2
163.03918	4.1
164.04750	2.4
165.01836	5.4
165.05440	2.6
166.02718	3.3
166.05028	3.5
166.99759	3.7
167.03418	27.1
167.47775	2.5
168.00566	99.4
169.01337	17.0
175.02538	3.2
175.03862	12.6
175.07632	2.7
179.03415	3.2
181.05005	6.2
184.06067	9.8
190.02696	2.6
193.04901	2.5
209.04338	2.2
255.03018	3.7
284.03323	3.7
296.05432	3.2
300.02689	4.2
301.03333	3.8
311.07809	13.1
315.14468	3.3
337.08942	2.6
369.63156	3.2
406.18130	2.3
463.08594	3.1
465.10501	3.5
481.09915	16.1
643.14764	4.8
819.19885	100.0
820.19836	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	817.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.1
58.00468	5.7
59.01256	100.0
61.98700	1.4
69.03377	0.9
69.37760	5.6
69.38187	2.6
71.01261	79.1
72.01612	1.1
72.99181	11.3
73.02826	4.9
75.00776	1.2
83.01276	6.3
85.02828	20.6
85.03350	1.1
87.00764	6.6
87.04391	1.2
89.02326	78.0
90.02625	0.8
95.01282	4.7
95.04923	1.0
97.02840	1.6
99.00778	3.2
101.02332	48.5
109.06489	1.3
110.65065	0.8
112.98671	0.9
113.02341	31.6
115.00272	2.3
119.03400	38.1
125.02354	1.6
131.03442	4.5
136.03838	0.9
142.99707	1.4
143.03412	7.7
146.14427	0.9
149.04469	3.2
161.04475	8.9
163.11253	1.2
169.12274	0.9
171.10172	3.2
174.01604	2.0
175.02409	3.6
179.05553	16.9
183.10245	1.3
183.13838	1.3
185.11649	0.8
207.10204	3.5
209.11757	7.7
211.13365	8.8
213.14917	1.6
225.11334	4.0
227.12863	1.2
235.08307	1.1
247.13440	3.2
249.11151	0.8
251.12862	1.0
299.02084	1.9
300.02667	1.2
397.13599	4.2
401.23669	1.5
415.14468	1.4
419.24448	1.2
475.37845	1.3
493.38959	1.2
637.43335	17.9
638.43842	2.6
655.44293	5.1
656.44580	1.3
799.37616	2.8
817.37225	3.7
817.49896	53.3
818.50378	8.9
842.08832	1.0
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
57.03310	2.5
58.00472	1.6
59.01254	40.0
61.98708	38.1
69.03328	2.9
71.01258	39.3
71.49390	2.3
72.99185	4.4
73.02823	5.7
75.00736	2.0
78.95813	1.5
79.95621	2.0
80.96397	4.8
81.03336	3.1
83.01247	3.7
83.04903	3.5
85.02820	8.4
87.00755	10.4
89.02325	28.1
93.03347	1.6
93.46131	1.1
94.97953	1.6
95.01286	2.8
95.04884	1.9
97.02836	14.1
97.06470	1.2
99.00773	4.5
101.02332	24.4
103.32710	1.1
107.04918	2.6
109.02859	1.2
109.06482	25.3
110.03580	2.4
111.04408	1.3
112.90318	1.1
113.02335	13.6
116.92756	2.5
119.03448	6.7
121.02821	1.0
121.06476	2.3
121.10100	1.1
123.04385	1.6
125.02372	8.7
125.09602	3.6
131.03412	1.4
135.08034	4.4
136.05205	2.2
142.02606	2.1
143.03423	2.8
148.99066	1.4
156.78862	1.1
161.04459	5.0
161.09634	2.0
163.11218	15.8
164.98488	1.2
165.01668	1.0
171.10170	4.9
178.65134	1.3
179.05580	6.4
181.12248	5.5
183.13853	11.9
185.11662	6.0
189.09138	1.8
193.12225	2.8
205.12286	1.5
207.10216	80.6
208.10522	4.7
209.11836	7.3
211.13348	100.0
212.13789	6.2
221.06612	4.1
221.15501	2.0
225.00670	1.5
225.11292	40.9
226.11554	1.7
227.12817	2.3
235.08174	4.5
247.13408	2.5
249.14792	1.4
251.12869	2.5
253.09370	1.8
263.07727	1.8
265.14441	1.3
309.20657	1.9
321.22171	1.2
329.24884	1.3
339.23242	5.0
355.22614	1.9
357.24277	2.2
373.23871	6.8
379.12396	2.7
383.22266	12.0
391.24841	7.2
397.08377	2.3
397.13498	36.3
398.13586	2.7
399.40436	1.4
401.23352	17.9
402.23813	2.5
415.14673	10.2
419.24445	16.2
454.51019	1.3
605.24646	3.4
623.25763	4.6
771.37872	4.8
772.38617	1.6
774.93408	1.2
781.36371	5.9
782.35803	1.4
799.22437	1.5
799.37592	43.9
800.37891	8.2
817.38538	48.4
818.39044	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	817.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02457	0.6
59.01255	100.0
59.99969	0.6
60.01586	0.8
61.98708	27.3
71.01271	3.8
71.57224	1.0
71.57609	1.0
78.95793	1.5
80.96432	1.6
82.86255	0.6
85.02826	1.1
87.00768	0.9
89.02338	2.9
94.98052	0.8
95.01287	0.9
96.99227	2.1
97.02837	2.0
101.02334	2.5
113.02370	1.1
116.92769	2.7
119.03524	0.7
125.02359	0.7
139.00348	0.9
141.01613	49.3
141.23175	0.7
142.01924	0.8
142.04956	1.5
161.04512	0.8
171.10278	0.8
197.11873	1.5
207.10220	1.9
209.11780	2.0
211.13441	3.3
277.21771	5.1
303.58719	0.8
309.20752	1.6
317.14813	0.6
359.22168	3.0
367.81433	0.9
397.13467	9.8
415.14706	1.0
419.11829	1.7
437.12717	3.2
530.62238	0.9
697.34058	0.9
817.38385	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	817.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01576	0.8
61.98706	10.9
69.03332	1.0
71.01260	3.8
72.00935	0.6
78.95781	5.4
80.96418	1.1
85.02832	1.1
87.00763	1.0
89.02319	2.4
96.96858	0.6
96.99203	0.9
97.02847	1.3
101.02360	2.6
113.02356	1.4
119.03377	0.6
121.02935	0.7
125.02365	0.9
126.20344	0.6
141.01616	53.6
142.01913	0.7
152.99501	1.3
171.65804	0.6
179.05574	0.8
197.11829	1.0
209.11879	1.3
211.13326	3.0
219.39671	0.5
225.11314	1.0
229.16850	0.6
235.08206	0.8
277.21619	5.7
278.22073	0.7
295.22824	1.7
311.22321	0.7
359.21988	4.9
397.13528	10.4
398.13986	1.2
415.14728	3.0
419.11850	1.9
422.89517	0.7
437.12906	4.3
568.67896	0.6
643.36523	2.5
697.34821	1.4
790.01782	0.6
817.37579	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	8.8
58.00479	0.9
59.01254	12.0
60.99181	1.1
61.98707	3.2
69.03332	15.6
71.01263	15.9
71.04907	2.7
71.57392	1.1
72.99191	5.7
73.02827	3.8
75.00735	1.2
76.45891	0.5
78.95800	0.8
79.95588	0.7
80.96365	0.8
81.03311	0.8
83.01274	2.4
83.04885	1.1
84.62979	0.6
85.02828	9.0
87.00757	2.4
88.98679	2.2
89.02322	9.4
89.02843	1.0
93.03333	1.8
94.59383	0.6
95.01250	1.6
96.95886	2.8
97.02843	1.4
97.06498	0.6
99.00756	5.8
99.04401	0.8
101.02332	6.7
107.04893	0.7
108.02049	1.3
109.02895	2.8
109.06450	1.0
111.04417	2.6
111.08035	2.9
113.02351	8.7
113.05947	1.1
116.92836	0.8
119.04920	0.8
121.02866	3.2
122.03603	1.6
123.00780	1.1
123.04426	0.7
123.08063	1.4
124.01529	0.7
125.02314	1.6
126.05261	0.7
128.03430	1.1
131.03407	2.3
134.03615	1.2
135.04375	0.6
135.97379	0.6
136.01570	42.5
137.02428	4.1
139.03928	0.8
139.11198	33.4
140.11510	1.7
143.03400	1.3
149.02432	0.6
149.04524	0.7
149.05994	0.6
151.03925	56.3
152.00941	0.7
152.04240	2.3
153.01823	1.0
156.89439	0.6
160.05234	1.4
161.04453	2.4
161.05869	0.8
162.03180	0.7
163.03917	1.2
163.11136	1.0
171.10136	1.1
173.04485	0.9
173.05954	0.7
174.01707	0.9
175.02516	0.9
175.03883	3.4
175.07561	0.6
176.04762	3.6
176.06134	0.7
177.05519	0.9
179.03427	0.9
181.08588	1.6
183.10197	100.0
184.10522	4.7
185.54367	0.6
189.05519	1.0
190.06235	0.8
191.05521	1.4
191.07095	2.8
193.04939	1.0
199.09688	2.8
203.07103	1.0
205.05003	0.7
207.10196	2.1
209.11844	3.8
211.13329	2.9
225.11302	2.0
271.02466	0.8
275.07562	1.1
279.06760	1.1
293.08618	0.9
306.07712	2.0
312.10187	0.9
315.14484	9.1
316.14767	0.8
324.10083	3.2
327.12387	5.2
329.16306	1.0
339.05231	1.7
339.12366	14.7
340.12814	1.7
342.11182	3.7
343.11932	1.7
357.13443	37.7
358.13577	4.4
397.13486	2.1
401.23248	1.4
419.24442	1.1
462.62152	0.6
535.80505	0.8
603.21228	2.8
615.20770	7.3
616.20996	1.9
633.21942	22.9
634.22540	3.6
651.23004	25.1
652.23230	3.7
655.24310	1.4
762.98108	0.7
799.38208	2.8
817.39392	3.6
844.04126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.8
58.00462	1.9
59.01253	38.2
61.98692	1.3
68.25515	0.7
69.03336	1.6
71.01255	70.4
71.57381	0.8
72.01575	1.5
72.99172	3.8
73.02821	10.8
75.00755	2.0
76.61648	0.7
83.01254	6.2
85.02823	25.1
86.03162	0.9
87.00762	4.8
88.98683	1.0
89.02321	38.8
93.03321	0.9
93.92323	0.8
95.01248	2.1
96.95869	1.4
97.02822	1.3
99.00760	6.9
101.02319	14.5
109.02831	1.2
113.02329	17.8
114.18945	0.7
115.00242	2.9
116.92748	1.3
119.03358	2.0
119.04913	1.6
120.08133	0.7
121.02851	2.2
121.10107	9.6
122.03628	1.6
123.04404	0.6
125.02386	4.2
125.03173	0.7
128.03465	0.7
131.03398	13.5
134.03673	1.4
135.04419	1.4
136.01564	38.8
137.02299	2.6
139.11183	0.9
140.30710	0.8
143.03395	2.5
143.04471	0.8
149.02390	0.9
149.04428	6.4
149.05573	0.9
150.03177	1.0
151.03922	35.7
152.04305	1.1
154.02194	0.7
161.02391	0.9
161.04480	6.5
162.03114	0.8
163.03937	1.4
165.09097	4.2
175.02373	2.7
175.03804	1.0
183.10196	3.0
187.03847	0.8
189.09186	0.9
195.06563	0.8
207.10213	1.2
209.08130	0.8
209.11797	2.9
211.13295	1.3
225.11465	0.8
231.25262	0.8
279.07544	0.9
297.13486	7.4
299.01971	0.8
300.02606	1.3
306.07492	1.0
309.13730	0.8
313.03406	0.9
315.14484	100.0
316.14786	7.3
327.12213	1.0
329.16052	1.2
339.12274	0.9
342.11017	1.4
357.13269	22.7
358.13928	2.1
369.15576	1.1
381.15900	0.8
397.13654	1.0
399.16403	1.3
411.16751	1.7
444.12268	0.7
459.18665	5.3
641.25879	5.8
642.25964	0.8
799.37195	1.2
817.37714	2.1
818.32300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.4
65.78129	0.7
67.01786	0.9
69.03326	1.1
71.01262	5.6
71.57721	0.8
72.99182	0.7
73.02805	0.7
73.97450	0.7
78.16423	0.7
78.95773	0.9
80.07182	0.6
85.02827	2.2
87.00743	1.9
89.02312	2.4
92.77164	0.7
93.03344	1.9
96.95911	1.7
99.00740	0.8
101.02341	1.0
107.04900	0.7
108.02049	1.4
109.02869	2.9
111.00767	0.9
111.04346	0.9
113.02336	1.8
115.00277	1.5
119.04895	1.4
119.37241	0.7
121.02831	7.0
122.03623	2.0
123.00797	1.8
123.04421	0.9
124.01588	1.3
125.02369	1.6
131.03438	0.7
132.17325	0.7
132.61554	0.7
134.03618	1.1
135.04430	4.3
136.01570	27.8
137.02354	23.1
138.02881	0.8
138.05542	0.7
139.03928	0.8
145.02806	0.6
147.04443	0.6
149.02341	2.1
149.05927	1.2
150.03120	3.0
151.00305	7.9
151.03917	29.5
152.01056	2.0
153.01840	1.3
159.04424	1.1
160.05240	1.4
161.02338	1.3
162.03108	0.8
163.03935	2.6
164.01065	2.5
164.04610	0.8
165.01846	100.0
165.05457	3.6
165.53812	0.7
166.02620	17.8
167.03482	3.0
172.05206	1.5
174.01588	1.1
175.02405	2.1
175.03925	4.0
177.01836	2.5
177.05472	1.5
178.02739	0.7
178.99841	0.9
179.03415	24.0
179.07042	0.7
180.04198	55.4
181.04984	21.1
187.03877	0.9
188.04741	1.0
189.05508	3.0
190.06273	3.6
191.03505	1.1
193.05003	1.3
194.05757	4.2
195.02913	3.2
195.06560	73.9
196.06894	3.4
205.05005	1.4
207.06598	1.4
210.05251	11.2
211.05992	0.9
225.07645	63.3
226.07997	2.6
238.10994	0.7
243.02803	0.8
271.02457	1.8
295.09796	0.7
299.01968	1.5
300.02643	2.7
301.03403	1.5
315.14532	1.8
325.10638	0.8
342.11066	1.7
343.12085	0.8
344.09283	0.8
345.09732	0.9
356.12579	2.1
357.09723	5.3
357.13528	7.3
358.10379	1.2
359.11328	1.1
372.12109	3.7
373.12784	2.3
386.13791	2.1
387.14490	53.3
388.14807	3.3
417.15613	1.0
535.19409	2.2
550.18658	1.6
564.41010	0.7
565.20746	56.6
566.21124	7.4
583.21655	1.0
595.21832	0.7
597.23480	1.5
598.24243	0.8
613.22906	15.4
614.23383	2.3
807.22736	0.7
817.31470	2.4
835.34338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.0
65.00205	3.2
69.92140	0.8
71.01255	8.1
71.57821	1.1
72.99193	1.6
73.02803	1.5
78.74007	0.8
79.49986	0.8
80.96360	0.9
83.01258	4.2
84.76158	0.7
85.02832	3.6
87.00751	1.4
88.98693	1.1
89.02316	4.2
93.03355	1.5
95.01268	1.0
96.95900	2.3
99.00777	1.0
101.02333	3.1
107.01264	5.4
109.02843	1.3
113.02342	3.0
115.00287	1.1
119.03369	1.4
121.02870	2.0
122.03651	2.1
124.01549	2.2
125.02356	1.5
131.03378	1.0
134.03706	1.2
136.01570	2.0
137.02324	3.3
138.03049	0.8
145.02882	1.3
149.02367	3.6
149.99440	1.3
150.03131	9.3
151.00279	19.7
151.03882	2.5
152.01003	1.3
153.01875	0.9
161.02322	1.5
163.00258	1.1
163.03889	1.1
165.01855	13.0
165.05473	8.5
165.74194	0.9
166.02621	3.7
169.01370	2.3
174.01602	0.9
175.00342	1.5
175.02419	1.0
175.03922	1.2
177.01920	1.3
178.99785	5.6
179.03368	2.0
180.04211	6.5
181.04982	5.0
181.08669	1.4
182.08990	1.5
183.04449	2.2
187.03915	1.1
191.03571	0.8
191.05499	1.3
193.01440	1.2
193.04980	1.8
193.08632	1.5
195.06560	18.2
199.03973	4.1
205.05016	1.8
209.11716	2.4
210.05264	1.5
211.03947	1.0
211.13298	1.1
214.02719	1.0
215.03395	1.4
225.07597	8.9
227.03476	5.0
239.03523	1.6
241.01378	2.3
242.02074	1.7
243.02980	9.2
245.00824	2.1
255.02989	7.9
256.03531	1.2
267.02963	1.5
268.03775	1.2
269.04553	2.8
270.01672	5.2
271.02472	28.0
272.03018	3.1
295.02570	1.6
297.04065	9.0
298.01285	1.0
299.01941	40.0
300.02716	31.4
301.03436	10.6
302.03845	1.6
311.01968	1.3
313.03351	0.8
315.05014	2.9
324.02795	1.3
325.03564	2.1
334.45575	1.0
339.12140	0.8
362.04053	1.0
387.14572	3.5
416.05566	1.1
417.15485	3.7
421.01978	0.9
421.51620	1.0
434.06387	1.1
445.07709	17.7
446.08493	2.6
447.09036	1.9
448.08792	1.2
449.08865	3.0
459.07297	1.0
461.05191	1.5
463.10165	0.8
491.09854	100.0
492.10208	13.8
613.23236	1.8
637.15686	32.2
638.16095	5.1
671.15363	1.9
713.14594	0.9
817.21246	1.0
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
59.01252	7.4
61.98687	1.5
63.92949	1.3
71.01254	3.9
72.99187	3.0
76.64616	1.4
78.95784	3.9
79.95630	1.4
80.96426	2.2
98.20542	5.4
100.02583	1.3
101.02328	2.4
104.48614	1.6
113.02321	2.1
116.92763	3.4
125.02346	2.9
152.99388	1.7
155.87885	1.6
171.10173	3.4
183.13837	5.4
185.11575	1.4
195.13849	6.1
211.13342	100.0
212.13701	6.4
223.13394	3.9
229.98805	1.7
235.08240	5.4
253.09222	12.2
275.20175	4.7
293.21234	59.9
294.21677	4.8
409.43536	1.5
430.66644	1.7
447.22293	9.1
740.58521	1.6
815.42938	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86820	2.5
59.01251	5.6
61.98700	2.8
71.01249	4.8
78.95780	88.3
80.96401	5.7
83.04910	3.4
96.96827	19.8
98.20626	5.8
101.02381	2.8
125.09637	2.4
127.11174	3.6
137.09694	2.7
152.99501	24.8
163.11259	3.2
171.10194	57.7
172.10545	2.7
199.09731	7.7
201.11279	7.3
207.10278	4.7
208.76076	2.6
209.11778	100.0
210.12137	2.9
223.00092	7.7
225.11334	10.0
227.12820	14.0
235.07971	2.9
241.01146	51.0
246.26192	2.4
253.09283	9.7
255.23282	52.4
256.23615	6.2
259.02094	2.8
277.21750	75.7
278.22052	5.6
391.22537	4.8
511.50171	2.6
553.27875	5.2
725.38751	56.5
726.39349	12.7
779.39886	4.9
797.41058	24.0
798.41437	7.9
815.41058	15.5
816.42877	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	815.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.0
59.01256	6.2
59.13463	0.8
61.98696	1.0
65.00216	1.1
67.80772	1.1
71.00710	1.3
71.01268	10.6
72.99183	5.8
73.02845	1.0
78.95759	0.9
81.03345	1.1
83.01267	1.8
85.02833	2.7
87.00784	4.8
89.02317	3.2
93.03347	0.9
94.92155	0.9
96.95912	1.0
99.00771	3.9
101.02322	3.5
105.59194	1.0
107.63457	0.8
108.80959	0.8
109.02830	1.8
111.00764	1.7
112.98705	10.5
113.02345	2.3
115.00291	9.8
121.02843	2.1
123.04388	0.9
124.98744	1.6
125.02366	1.2
129.01859	1.0
142.99783	18.1
151.00212	1.7
156.00526	1.6
161.04572	1.1
167.14420	1.1
171.10069	1.1
173.00835	4.3
174.00185	1.6
174.01633	24.3
175.02438	13.0
183.13857	4.6
193.12305	1.8
209.11765	2.1
211.13354	100.0
212.13696	6.0
215.07304	0.8
223.13364	3.5
227.03711	0.9
235.08131	1.4
235.13417	1.0
237.14973	0.9
243.58282	0.8
251.12946	1.0
253.09273	3.6
255.02872	1.0
258.47751	0.8
263.12839	2.3
271.02408	2.8
283.02377	1.0
299.01917	2.7
309.21405	0.9
315.14465	1.1
327.05072	2.7
383.11389	1.7
429.21280	1.7
447.22366	8.9
623.34198	3.1
641.35559	1.5
668.28107	2.6
669.29163	4.0
697.34607	3.7
737.34027	2.6
755.35101	2.0
797.36047	1.1
815.34686	15.4
815.48401	1.2
816.35901	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02754	0.8
57.03329	1.0
58.35667	0.9
59.01252	9.4
60.92987	0.9
68.99700	0.9
69.03316	1.1
70.35126	3.6
71.01261	15.2
72.99190	8.0
73.02818	1.8
75.00745	1.8
76.53912	0.9
80.96418	3.1
81.03335	1.0
83.01274	2.8
83.04942	1.2
85.02831	3.7
87.00751	6.8
89.02328	2.9
95.01205	0.9
96.17075	0.8
96.95897	2.8
96.99226	1.0
97.02876	0.9
99.00756	4.7
100.76107	0.8
100.98192	0.9
101.02341	4.8
105.45708	0.9
111.00764	1.6
112.98700	10.3
113.02340	2.6
115.00253	9.0
116.15290	0.9
121.02856	1.7
124.98719	2.4
125.02332	1.1
135.02896	1.0
142.99774	16.9
145.47255	0.9
151.00322	2.7
154.76935	0.8
154.99779	4.0
156.00536	0.9
161.04474	1.0
167.14325	1.2
171.10236	1.0
173.00858	5.8
174.01642	19.2
175.02420	15.7
178.99748	1.4
181.08630	1.9
183.13834	6.9
185.11740	1.1
193.12321	2.2
209.11835	1.2
211.13358	100.0
212.13776	4.9
223.13283	4.7
235.08191	2.2
237.14841	1.7
253.09311	3.4
255.16116	1.3
263.12955	3.9
311.53073	0.9
329.15982	2.8
429.21637	1.2
447.22357	9.8
486.02362	0.9
533.29193	1.4
623.34882	2.5
641.35449	1.9
664.89630	1.0
679.33484	0.9
697.34521	2.5
735.36029	1.3
737.33844	2.6
785.35748	8.9
786.36279	2.1
815.34906	5.7
815.50305	1.3
816.35870	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	815.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.0
57.55922	0.6
58.43390	0.6
59.00990	0.7
59.01257	6.9
70.34853	1.4
70.35251	1.3
71.01258	11.0
72.99184	5.5
73.02804	1.0
75.00751	1.4
80.96390	2.7
83.01270	2.1
85.02835	2.2
87.00780	5.2
88.70400	0.6
89.02326	2.3
94.98003	0.8
96.95897	3.1
97.02869	0.6
97.06499	0.7
99.00781	4.0
101.02313	2.2
103.03927	0.8
111.00771	1.9
112.98709	9.9
113.02359	1.4
115.00268	8.5
119.03393	0.7
124.98693	1.2
125.02380	0.9
129.01843	1.0
142.99777	14.8
145.01401	1.0
147.81172	0.6
151.00241	1.5
156.00536	1.5
161.04503	1.5
173.00868	3.7
174.01625	20.6
175.02419	14.1
178.99751	2.0
183.13864	5.8
193.12283	1.3
209.11775	0.8
211.13358	100.0
212.13687	4.9
223.13388	2.8
233.11847	0.9
235.08191	1.5
235.13327	0.8
237.15013	1.2
239.12926	0.8
253.09303	3.6
259.13437	0.7
263.12881	3.2
271.02603	1.0
275.14902	0.9
276.23190	0.6
299.01956	1.4
300.02881	0.8
329.16074	2.4
387.24887	0.7
429.21509	2.1
447.22366	9.1
448.22949	0.9
532.94153	0.7
533.30115	1.2
547.41492	0.8
623.34320	2.1
641.35406	1.4
669.29376	0.9
679.33990	1.3
697.34698	3.2
711.35175	0.9
737.34021	2.5
742.18726	0.7
755.35065	1.5
797.36407	1.3
815.35504	3.0
815.49994	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	815.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26199	2.0
59.01249	4.2
61.98705	22.5
65.00197	7.8
66.61409	1.6
71.01254	3.1
71.38017	4.4
74.72590	1.6
78.95766	5.4
80.96391	4.6
81.31503	1.7
81.36185	1.7
84.37210	1.6
87.00741	2.1
93.03334	6.0
95.01277	2.2
101.02396	2.1
107.01295	2.3
108.02086	2.0
109.02829	5.8
116.70763	2.0
118.98763	2.2
121.02832	22.7
145.02815	2.8
149.02332	4.6
151.00240	9.2
152.99530	3.7
161.02405	3.7
163.09550	2.0
175.00273	6.1
178.99771	4.2
189.01926	2.4
199.03970	3.0
201.01762	2.0
203.03403	3.6
209.11661	2.7
211.13289	5.7
215.03380	2.8
223.13354	4.6
225.17317	2.1
227.03442	3.9
227.12923	2.1
242.02243	3.7
243.02934	7.4
247.13092	2.1
255.02921	12.6
256.03540	2.8
258.26013	2.0
270.01605	4.3
271.02505	43.2
272.02878	3.1
273.11423	3.7
283.02374	2.3
284.03458	2.5
291.19702	4.2
293.21146	3.1
295.02429	5.1
296.03085	3.1
297.03818	2.8
299.01978	55.5
299.09296	3.3
300.02725	50.2
301.03473	29.6
301.10843	3.4
302.03864	3.3
309.20844	3.6
311.21829	1.9
313.10806	2.3
315.12433	2.2
317.10181	4.1
325.03339	2.2
339.23532	2.4
401.23148	2.9
423.14340	3.3
427.21207	14.3
445.22205	8.2
446.08557	14.9
447.03302	3.7
447.09305	56.9
448.09689	5.4
449.12405	3.0
451.14001	2.2
467.13367	2.7
513.17529	3.8
541.16760	4.5
577.24280	8.6
587.10742	2.0
595.25684	5.7
641.35004	2.8
668.28479	21.7
669.29108	30.4
670.29254	7.2
723.30688	8.8
741.31866	2.7
815.34943	100.0
816.35083	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	815.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.6
69.52567	19.9
71.01258	15.5
72.99205	3.3
73.02840	3.1
75.00758	13.5
77.35101	2.2
85.02837	12.9
87.00761	6.3
89.02347	3.2
93.03360	2.3
94.06389	2.2
95.01284	3.1
98.19833	4.3
99.00768	7.4
101.02319	3.1
113.02333	19.6
115.00257	3.3
117.01791	2.2
121.02844	10.6
134.03629	30.2
139.03903	2.7
160.01591	2.5
161.02341	3.5
175.03923	4.0
191.05548	4.5
193.04976	22.3
249.06117	19.3
267.07120	34.1
268.07611	2.1
371.09790	8.6
375.88550	2.5
425.10480	3.3
443.11908	100.0
444.12238	9.7
578.71240	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.7
61.98698	1.2
65.00198	6.4
71.01266	6.7
71.35138	2.6
72.99200	2.2
80.96391	5.2
83.01276	2.4
85.02833	2.1
87.00744	2.9
89.02322	1.4
89.76989	1.1
93.03323	2.4
94.73709	1.1
96.95898	3.3
99.00771	1.7
101.02283	2.2
105.31261	1.2
107.01198	1.4
107.82091	1.2
109.02841	5.5
111.00726	1.6
112.98653	2.7
113.02297	1.6
115.00244	3.6
121.02840	9.0
124.01553	1.5
125.02311	1.2
137.02319	2.4
139.03932	2.1
139.11188	1.1
142.99759	3.8
147.07977	1.1
148.01553	2.2
149.02332	4.4
151.00294	4.0
151.18596	1.2
161.02373	1.5
163.00282	4.8
164.01025	1.6
165.01830	1.8
165.09132	1.8
169.01277	1.8
174.01582	4.5
175.00316	2.2
175.02336	3.7
175.10413	1.1
176.01112	2.7
177.01828	4.8
178.99785	2.2
189.01868	2.9
189.98923	2.5
190.02670	1.1
190.45207	1.2
191.10710	2.0
199.03917	2.1
204.00560	1.6
207.10234	1.7
209.11781	2.6
211.13341	26.8
212.13701	1.9
215.03418	1.7
217.08704	1.2
223.13342	1.5
227.03459	3.6
233.08119	7.5
234.08609	2.2
241.04964	2.6
243.02937	4.1
247.09586	1.3
255.02878	3.3
256.03693	3.7
261.07629	4.1
267.03094	2.0
270.01627	1.7
271.02487	20.2
272.02887	1.9
283.02380	2.7
284.03247	4.8
285.03955	4.0
299.01974	18.5
300.02725	9.3
301.03287	3.4
311.02026	2.6
312.02631	2.1
313.03528	4.4
314.04166	1.7
317.21243	1.3
326.04028	1.1
327.05121	20.9
327.12253	1.1
331.49472	1.2
335.22308	2.8
337.10767	1.3
340.02017	1.3
355.11780	4.9
361.59634	1.2
383.11368	16.7
383.22415	2.4
384.12070	5.7
401.23288	2.5
411.10721	3.6
427.21222	3.3
445.22302	4.5
447.22427	1.7
475.27060	2.6
519.25739	3.7
520.25775	1.5
577.24353	6.4
595.25433	1.6
668.28235	11.5
669.29156	32.7
670.29468	5.2
723.29773	7.6
724.31824	1.5
737.34863	1.5
741.31335	1.5
815.34906	100.0
816.35187	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	815.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.9
59.11115	0.6
63.02259	2.2
65.00180	3.4
69.03308	0.6
71.01256	3.5
71.67123	0.5
72.99180	1.1
73.02789	0.7
78.95776	0.7
80.96391	0.9
83.01282	2.9
85.02823	1.1
87.00786	1.1
88.98698	0.7
89.02332	1.6
93.03325	2.1
96.95898	2.0
99.00728	1.0
101.02334	0.8
107.01274	6.7
107.33417	0.6
108.02066	1.4
109.02828	2.5
113.02341	1.4
119.04896	1.2
121.02844	6.7
125.02364	1.4
134.03616	0.7
135.04402	4.1
137.02310	1.1
139.03883	0.6
148.01559	0.9
149.02307	1.7
150.03168	0.6
151.00275	27.6
152.00848	1.1
153.01807	1.4
157.02299	0.7
160.01590	0.7
161.02347	1.5
163.00281	3.5
163.03912	1.5
164.01009	0.8
165.01826	1.0
165.05504	0.7
169.01340	2.0
175.03932	1.3
178.99789	12.2
179.03369	2.4
181.08664	0.9
190.02614	1.9
193.01422	1.2
193.04990	0.8
201.05511	0.9
203.03621	0.7
205.05009	1.1
211.03886	1.5
212.31461	0.6
227.03406	2.7
229.04987	1.6
239.03445	0.8
243.02988	6.1
245.04475	1.1
255.02983	16.0
256.03372	1.1
271.02484	27.5
272.02835	3.0
273.03973	2.8
283.02539	1.3
290.97400	0.8
299.02005	4.0
300.02747	58.4
301.03513	80.1
302.03903	6.6
315.05090	2.5
323.80661	0.8
341.11499	0.5
368.98776	0.7
399.98431	0.7
447.09323	100.0
448.09601	11.0
502.19644	0.6
576.51324	0.6
654.05371	0.6
654.16010	0.7
669.14642	8.8
670.14679	1.6
815.20538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.0
59.01257	28.1
63.02307	4.8
65.00182	5.6
69.04910	2.5
69.98757	14.1
71.01264	20.1
72.16563	2.2
72.99194	5.7
73.02826	5.1
75.00752	9.9
78.95743	2.9
83.01260	7.0
85.02825	12.2
87.00753	3.3
89.02319	6.4
93.03340	6.8
95.01286	4.9
96.95892	11.1
99.00770	7.5
101.02308	7.4
107.01271	9.0
108.02065	26.8
109.02859	20.0
111.00784	2.9
113.02340	12.0
119.04926	8.3
121.02856	4.8
123.04406	3.6
125.02363	6.4
132.02167	2.9
133.02849	11.2
134.03653	10.3
135.04434	24.4
137.02342	5.9
138.05368	2.6
149.02432	3.8
150.03114	6.4
151.00282	34.7
151.03906	6.2
152.01086	31.4
153.01863	27.1
160.01552	7.5
160.03804	3.3
161.02364	28.3
163.00258	2.6
163.03867	6.6
164.04738	3.0
165.01840	5.4
165.05447	3.9
166.02507	3.0
167.00061	2.8
167.03395	9.6
175.00244	3.6
175.03929	11.0
176.01103	3.8
178.02495	2.8
178.99829	7.8
179.03400	24.3
182.02089	4.3
187.03928	3.0
190.02722	3.7
191.03261	3.3
191.05487	4.1
193.04985	10.1
195.06552	3.6
197.04497	8.7
199.04002	5.2
205.04999	7.0
215.03479	3.9
227.03406	8.1
235.06087	3.0
242.02286	2.6
243.02919	7.5
248.97949	2.8
255.02916	9.7
267.07147	7.1
271.02490	78.8
272.02872	6.1
285.04019	5.0
298.98688	6.1
299.01996	100.0
299.05350	6.5
300.02686	47.6
301.03516	88.4
302.03745	5.5
312.04883	3.4
315.04718	40.0
323.07776	4.4
353.08597	10.0
447.09335	22.5
477.10318	24.5
653.15387	9.1
668.13300	14.4
669.14685	51.2
670.14984	8.6
815.19067	63.5
816.19958	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	815.2048
Annotation	Kaempferol 3-(6''-sinapylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
59.01256	1.6
63.02260	1.9
65.00201	6.5
66.26322	0.7
71.01266	1.0
80.10374	0.8
83.01254	3.4
87.88065	0.7
89.02284	0.9
93.02690	0.8
93.03316	2.0
107.01283	10.8
109.02838	2.9
121.02861	2.9
123.35411	0.7
124.01524	1.0
125.02321	1.6
125.70096	0.8
133.02904	1.3
137.02397	1.3
147.00777	1.6
148.01566	1.6
149.02339	2.2
150.03163	1.3
151.00284	32.3
152.00703	1.7
153.01808	1.5
157.02917	0.9
161.02354	1.2
161.13203	0.8
163.00296	1.9
165.01865	1.3
165.05443	0.9
169.01311	1.9
171.04446	1.4
173.02452	0.8
175.00307	4.6
175.03871	1.9
176.01047	3.4
178.99799	8.9
183.04420	1.4
187.03871	1.1
190.02667	4.9
191.03391	4.0
193.01352	1.4
199.03928	6.7
201.01849	2.3
203.03528	1.2
205.04996	2.8
209.04507	2.2
211.03951	1.3
214.02567	1.0
215.03430	2.7
226.02724	2.1
227.03448	7.1
229.77733	1.1
230.43161	1.0
242.02164	1.5
243.03014	8.8
255.02997	7.5
256.03387	1.5
257.04578	1.0
271.02478	79.1
272.02908	4.8
283.02435	4.7
284.03305	1.4
285.04071	7.9
299.01984	100.0
300.02707	47.4
301.03540	89.8
302.03778	5.9
313.03525	1.5
314.04306	1.4
315.05133	21.9
316.05511	1.9
343.04666	1.2
353.08859	8.3
402.80066	0.8
447.09311	22.3
448.09695	2.2
461.10916	2.0
519.11670	1.2
547.10944	2.2
653.15442	2.4
668.13812	14.3
669.14648	53.9
670.15149	7.6
815.20441	43.7
816.21008	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	813.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	5.6
59.40033	3.2
61.98704	7.8
65.00186	12.2
71.01254	6.5
71.57922	4.4
71.58347	5.6
75.00754	4.3
89.02327	5.0
95.31250	3.0
101.02336	3.7
109.02824	8.1
121.02834	18.3
136.01599	4.5
137.02287	3.8
148.01552	4.5
149.02370	7.1
150.03099	4.0
151.00281	6.4
151.03943	4.2
163.03885	4.0
175.00339	4.9
199.03966	7.0
201.01942	3.9
203.03510	4.3
209.11801	5.5
211.13364	4.7
215.03482	4.1
227.03336	4.9
242.02072	5.9
243.02959	11.6
243.05853	3.3
255.03038	9.3
270.01651	4.1
271.02481	46.1
272.02823	3.8
283.02499	3.7
291.19620	5.1
293.21149	8.3
295.02408	5.1
297.04062	4.0
299.01993	90.3
299.09354	5.4
300.02750	36.1
301.03543	9.3
305.78787	3.5
309.20709	14.9
313.10651	3.6
381.20828	4.4
390.68515	3.5
425.19724	15.2
443.20639	10.7
445.07431	8.8
446.08258	32.5
447.09372	22.6
449.12402	6.3
489.57806	3.6
513.18280	4.0
517.03137	4.3
575.22998	11.4
593.24207	6.0
666.26843	25.8
667.27698	39.9
668.27673	5.4
669.07227	4.1
679.08063	4.8
721.28845	10.6
813.33307	100.0
814.33319	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	813.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	18.4
59.10460	2.4
61.98703	14.8
67.06487	3.0
69.03330	4.7
71.01268	6.5
71.57366	4.9
72.99176	3.8
74.30138	2.5
75.00742	4.2
80.96400	4.1
83.04920	4.1
85.02823	3.5
87.00742	3.2
89.02326	4.2
89.56547	3.3
93.03342	3.8
96.95904	4.5
97.02843	11.0
99.00772	17.0
101.02339	4.2
111.08025	3.6
118.14877	2.8
125.09597	5.5
142.02608	3.9
151.00275	3.5
163.11162	12.4
165.12715	6.0
171.10201	4.3
181.12263	17.9
197.11734	11.2
199.13370	5.9
207.10231	53.3
209.11716	11.6
211.13345	8.1
225.11288	100.0
226.11574	7.2
227.12888	9.4
243.12421	14.6
247.20578	6.7
253.09407	7.0
255.02853	5.4
271.02518	16.4
289.17856	3.3
291.19687	31.8
293.21396	4.2
299.02008	18.8
300.02701	14.9
301.03485	10.5
309.20740	64.8
310.21027	7.1
446.08426	3.4
447.09036	21.2
461.20343	30.3
462.20837	5.1
619.44098	3.6
753.40692	41.5
754.40491	8.0
813.34222	10.7
814.33936	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	813.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	22.1
60.06502	1.5
61.98716	2.1
65.00183	5.4
66.39655	1.5
71.01255	14.1
71.58032	3.1
72.99164	5.6
73.02827	2.5
78.95753	2.2
79.06959	1.7
83.01247	4.8
85.02820	5.9
87.00707	3.3
89.02308	6.3
91.91186	1.6
93.03315	2.5
97.02861	1.6
100.03926	3.4
101.02320	7.5
108.02045	1.9
109.02825	5.6
110.04115	1.7
113.02308	7.7
115.00293	1.6
117.03370	2.0
121.02847	33.3
122.21258	1.8
125.02293	2.1
131.03404	3.2
135.04361	2.0
137.02338	3.3
143.03323	2.1
149.02348	5.0
151.00229	2.9
159.04404	3.5
161.02281	4.6
163.00255	2.3
171.10170	3.5
175.00266	5.4
175.02487	2.2
175.03842	2.1
176.01038	1.7
178.99675	1.9
187.04010	2.2
189.01756	2.8
202.99820	14.7
203.03372	4.5
204.00105	1.6
209.11739	5.3
211.13330	2.4
215.03267	2.5
216.00406	2.1
217.01198	1.6
231.03001	2.0
238.48291	1.7
243.02876	1.9
243.56609	1.7
256.03870	2.0
258.34033	2.0
269.11633	2.1
270.01477	2.2
271.02451	16.0
272.03143	1.8
283.02420	4.0
285.04007	2.0
285.07596	2.2
287.12839	2.6
295.02515	4.0
299.01926	20.8
300.02823	9.9
300.05664	1.8
309.20596	2.1
313.03488	4.0
313.10690	3.6
325.03488	4.6
331.11948	5.3
353.02866	3.0
353.06696	3.3
359.11014	2.4
369.58823	1.6
398.53546	2.0
399.21609	2.5
405.15100	1.9
407.11032	2.2
425.19492	5.1
443.20837	2.9
454.73886	2.2
463.14063	9.4
481.14618	3.7
495.58887	2.0
505.37521	2.3
520.76544	6.2
521.26697	4.0
555.18903	9.7
575.22894	6.8
576.24615	1.8
593.23993	3.4
666.26862	18.7
667.27649	36.2
668.28064	4.7
721.28400	8.5
813.33209	100.0
814.33411	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	811.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34464	1.6
61.54143	1.5
71.01264	8.4
73.02826	2.7
78.98463	6.4
79.95612	12.9
80.96397	69.0
85.02861	2.4
87.00739	2.0
94.97968	15.4
97.02854	2.2
101.02322	2.9
106.97984	2.8
122.97459	4.0
125.02326	4.3
134.97470	5.7
136.99060	1.7
148.35527	1.8
148.99043	7.2
152.98517	5.3
155.23198	1.7
164.98531	15.6
206.99629	2.9
225.00684	30.8
398.39117	1.7
413.85608	1.7
599.19958	1.7
735.59613	1.8
767.42371	3.3
811.45203	100.0
812.45355	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	813.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89953	1.4
57.03317	1.6
59.01249	13.7
61.98695	1.9
65.00185	4.4
65.93002	1.6
69.30953	18.0
71.01260	10.8
72.99184	2.3
80.26929	1.6
83.01270	3.4
85.02825	5.3
86.97215	1.6
87.00746	2.8
88.98697	1.6
89.02320	4.1
92.04942	9.2
93.03351	2.5
98.20656	1.8
99.00770	1.9
100.03902	2.0
101.02316	4.0
107.01231	4.6
109.02840	6.1
112.98647	2.3
113.02326	4.1
115.00219	2.0
121.02844	6.4
124.01485	2.2
125.02316	4.0
132.01976	2.1
136.01581	4.5
136.03957	11.8
137.02328	2.8
137.09479	1.8
139.03876	3.0
142.99744	1.7
147.00729	2.7
147.04353	2.2
149.02362	3.9
151.00256	5.0
152.00974	4.0
160.01558	1.6
163.00307	13.4
164.00996	4.1
174.01654	4.1
175.00273	5.1
175.02414	2.4
176.01074	3.3
178.99750	4.9
181.08618	1.7
182.81325	1.8
183.13829	2.1
189.99016	6.5
190.99748	3.8
191.03638	1.9
199.03972	2.6
202.99802	3.1
203.03397	1.8
209.11725	5.8
211.03896	2.3
211.13438	8.4
214.02733	2.5
215.03227	2.0
223.13464	2.2
225.93767	1.8
227.03374	3.6
228.04137	1.8
239.03467	2.9
240.04115	2.5
241.05026	5.3
243.02873	1.9
255.03030	4.6
256.03738	6.7
257.04510	2.8
267.02869	3.7
271.02448	6.3
283.02466	12.5
284.03137	8.9
285.04044	10.6
287.13168	2.3
294.02036	2.1
295.02423	4.9
297.03931	3.3
299.01895	6.7
300.02563	5.3
311.01999	6.3
312.02814	13.0
313.03558	31.7
313.14319	4.1
314.04056	4.4
340.02286	5.6
346.03439	1.7
373.12683	2.9
381.09619	6.2
505.15115	4.8
523.16278	2.9
528.27240	1.8
569.20575	2.1
597.19897	26.7
598.20276	5.5
666.27185	11.8
667.27521	37.0
668.28131	4.5
721.28436	7.8
813.33374	100.0
814.33887	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	811.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	66.3
69.03342	3.1
71.01272	6.2
81.03355	2.7
85.02841	7.0
87.00752	3.6
89.02318	3.2
93.03355	13.1
95.01306	1.8
96.95924	2.8
101.02316	2.5
104.10816	1.8
109.02850	2.7
111.04395	3.6
113.02332	4.9
113.21223	1.6
117.03390	5.0
119.04916	16.2
137.02359	5.0
145.02850	19.7
155.03398	4.2
163.03955	14.3
173.04472	35.7
173.92636	2.0
191.05560	18.4
217.03444	2.5
233.06642	100.0
233.62799	2.1
234.06949	5.0
243.25313	1.9
255.08852	3.0
319.08246	34.1
320.08612	3.5
337.09311	3.1
342.41077	2.0
349.18848	2.7
359.15155	2.4
379.10132	12.5
387.16583	5.5
433.91766	1.9
471.44339	1.9
520.14667	2.0
811.31476	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	811.304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.2
59.01254	11.7
60.99165	4.6
61.68229	1.0
65.03837	1.4
67.01770	13.5
67.88750	0.9
69.03306	4.5
71.01274	9.9
72.99167	1.7
73.02793	1.8
81.03328	2.9
83.01274	1.0
83.04889	2.6
85.02827	11.2
87.00755	24.2
89.02310	3.6
93.03345	100.0
94.03672	2.4
96.95911	8.6
99.00745	3.3
99.04385	1.8
101.02299	3.3
108.02093	1.1
109.02803	2.9
111.04408	14.3
113.02322	2.6
117.03365	2.4
119.04922	89.9
120.05257	3.7
127.03883	2.2
129.01830	3.7
131.03349	1.2
131.77414	1.1
134.03603	2.6
137.02353	1.8
145.02835	3.9
149.05942	1.9
150.03096	3.0
150.86024	1.2
153.01785	1.7
155.03403	4.6
160.01564	1.6
163.03934	53.8
164.04256	2.5
165.05418	1.9
168.04283	1.3
173.04472	18.6
175.03915	2.0
191.05553	93.5
192.05940	3.2
193.05014	1.8
195.06659	1.4
215.79478	1.1
315.14514	8.6
337.09283	4.7
379.10495	1.5
477.16171	3.0
499.14575	1.3
631.25494	1.4
637.24640	1.7
649.24951	2.5
677.27838	1.5
745.48499	1.5
811.30267	82.9
812.30756	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	809.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	12.2
58.00480	3.3
59.01255	74.4
61.98690	5.3
67.05393	2.8
69.03332	15.3
69.35715	23.3
69.36126	5.4
71.01258	100.0
72.99183	11.3
73.02820	17.0
75.00734	10.2
81.03327	6.7
83.01268	12.0
85.02825	39.3
85.83497	2.8
87.00745	29.9
89.02324	34.3
95.01248	3.8
97.02830	3.9
99.00776	10.7
99.04388	4.0
101.02360	15.9
109.06461	5.0
111.04409	48.1
113.02338	11.7
116.92768	10.0
121.10129	22.4
125.02334	5.9
125.09650	7.3
126.03188	3.6
131.03365	5.9
137.49818	3.1
140.81471	3.0
145.04884	3.8
165.09096	22.5
167.10648	8.5
169.08662	8.2
171.10233	4.6
181.08629	39.7
183.10252	5.5
195.50865	2.8
197.11795	3.3
199.09644	8.5
201.11256	11.7
209.11806	19.1
211.13303	9.6
213.76044	3.1
223.13393	5.2
227.12889	6.4
244.18333	3.4
253.09241	8.3
263.12946	3.2
289.18179	4.6
291.19647	7.8
297.13361	9.9
309.20660	19.6
310.21313	4.3
311.15033	10.3
311.25946	6.0
315.14450	15.7
329.16159	19.8
353.49155	3.0
477.24881	3.8
479.22684	3.4
481.24097	4.7
493.24475	9.3
500.51282	3.3
542.14972	3.4
552.70538	3.0
553.70508	3.4
572.60022	4.1
609.29083	54.9
610.29431	8.4
627.30127	79.5
628.30768	10.1
721.34436	7.7
779.38544	54.0
780.38361	8.3
791.38721	51.7
792.38910	18.6
809.42041	34.2
810.41302	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	809.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	27.3
60.47670	2.4
71.01265	9.7
71.58079	4.9
78.95760	5.4
85.02827	3.0
87.00776	3.2
89.02325	6.3
97.06454	7.8
101.02328	12.8
101.51730	2.8
104.38112	2.9
109.90649	3.0
111.00744	9.2
113.02354	5.4
116.92747	9.2
123.04380	3.8
125.09602	5.5
129.51607	2.5
130.82045	3.3
136.17319	2.8
137.09563	3.4
141.01797	3.8
142.73993	2.6
149.54442	2.7
161.04453	4.0
163.11227	4.4
171.10191	6.7
185.11760	5.9
191.14334	6.2
195.13805	11.7
195.16011	2.5
195.87965	3.0
196.69896	3.1
197.11980	3.0
201.11273	28.7
205.12251	13.5
209.11778	15.0
211.13446	3.4
223.13356	100.0
224.13748	7.3
235.08087	4.7
245.19115	11.6
253.09157	17.1
277.21725	29.7
289.18109	55.6
295.22711	14.2
307.19128	46.9
459.22296	6.0
493.10101	3.2
497.00882	2.9
588.25293	3.4
633.32526	7.3
688.03015	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	809.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.5
59.01253	5.6
61.98720	0.9
64.72385	0.5
71.01247	5.0
71.35529	1.1
72.99184	1.0
73.02825	1.1
75.00753	1.8
78.74229	0.6
81.84836	0.5
83.01252	0.7
85.02833	3.7
87.00768	1.3
88.98689	1.1
89.02331	1.7
92.04899	0.9
93.03339	4.4
95.01273	1.2
99.00764	0.8
100.03977	0.6
101.02321	2.5
108.02073	0.7
109.02843	1.2
111.00800	0.5
113.02348	2.1
116.92777	0.7
119.03323	0.6
121.02868	5.9
122.03627	17.4
123.04496	1.0
124.01560	0.5
129.01846	1.1
133.02847	1.1
133.76889	0.5
134.03671	1.3
134.04596	0.9
135.02864	1.0
135.04404	1.7
136.01555	4.0
137.02341	3.9
139.03885	0.7
144.56422	0.7
146.03688	0.8
147.04370	0.6
149.02353	24.4
149.05923	1.0
150.03131	98.8
151.00259	2.3
151.03955	7.1
152.04655	0.7
159.97110	0.5
161.02390	0.5
161.05972	0.6
164.04704	4.5
165.05487	100.0
166.02632	5.2
166.05826	3.1
167.03410	1.2
174.01613	0.6
175.03947	0.7
177.05487	0.9
179.03333	0.6
179.07018	5.9
180.04228	5.9
180.30579	0.5
181.04999	6.5
183.13681	0.7
190.02599	0.6
191.05452	0.6
195.06561	72.2
196.06905	3.3
205.05028	2.3
205.06837	0.7
209.11752	1.2
211.13315	0.8
219.06551	0.7
220.07260	0.9
224.23903	0.5
227.12770	0.7
267.07138	0.6
301.04282	0.5
329.10071	0.7
337.11191	0.6
387.10184	0.7
387.14685	2.6
390.01236	0.5
402.13248	0.8
406.56641	0.7
417.15567	8.9
565.20801	13.3
566.20868	1.4
595.21405	1.6
613.22668	2.7
713.25903	1.1
765.35443	5.9
809.33612	0.9
833.20197	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.8
58.00477	0.9
59.01253	17.3
61.98706	0.6
62.36683	0.4
69.03331	1.1
71.01254	19.8
72.99202	1.3
73.02822	3.5
78.95798	0.8
80.96397	1.4
81.03339	1.2
83.01252	2.4
85.02821	4.6
87.00760	5.7
89.02319	13.7
95.01264	1.2
97.02831	2.8
99.00756	0.8
101.02324	13.3
109.02821	0.5
111.00807	0.5
111.04433	0.8
113.02327	8.3
119.03397	3.9
119.32039	0.4
121.94498	0.4
124.01546	0.5
125.02342	7.8
125.09653	1.1
127.11155	2.5
131.03401	0.6
139.03903	0.7
143.03438	3.0
153.09114	0.6
161.01234	0.4
161.04504	3.6
165.33466	0.4
167.03481	0.6
171.10196	100.0
172.10521	3.4
179.05562	3.6
185.04445	0.4
199.06154	0.7
217.07109	1.7
221.06662	1.2
225.00706	0.5
235.08212	5.9
236.08537	0.4
245.06734	0.5
253.09233	1.3
255.23282	64.7
256.23624	4.6
259.08276	0.9
269.24875	1.3
277.21747	0.6
287.07657	1.9
293.21341	1.0
295.22769	1.1
305.08725	2.1
323.10004	0.6
379.12466	11.9
380.12659	0.7
397.13513	36.6
398.13925	2.7
415.14526	7.8
416.14990	0.7
468.67093	0.4
551.23450	0.9
569.24841	0.6
635.36536	0.4
645.01019	0.4
653.37354	1.7
807.42438	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00952	3.8
59.01250	78.5
59.52131	1.3
60.01579	1.6
60.56209	1.7
66.45150	1.3
69.42542	3.4
69.42947	11.5
71.01244	2.0
80.14917	1.4
93.03335	16.8
101.71945	1.5
111.04413	5.6
117.03353	6.9
119.04919	25.3
127.21258	1.4
137.02312	3.3
145.02849	28.0
148.20320	1.7
155.03380	4.6
163.03886	19.8
173.04480	41.6
191.05556	15.9
233.06615	100.0
234.07024	4.3
319.08212	34.7
337.09229	3.7
377.46378	2.0
379.10385	11.8
594.97076	1.7
650.10736	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	809.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.2
61.98694	1.0
65.78297	0.6
69.77566	2.0
69.77991	1.5
71.01247	4.3
73.02821	0.7
75.00759	1.4
79.19375	0.5
85.02837	2.3
87.00774	1.2
89.02336	1.9
89.06268	0.5
93.03333	4.8
95.01240	0.9
95.04897	0.9
99.00765	1.0
101.02355	2.1
105.03310	0.8
108.02084	0.9
109.02842	2.0
109.44095	0.7
113.02374	1.6
116.92769	1.8
119.04918	2.5
121.02848	8.0
122.03638	15.2
123.04402	1.9
124.01550	0.8
132.02066	0.8
133.02853	1.6
134.03673	3.5
135.04405	2.4
136.01566	6.0
137.02386	4.7
138.03151	0.7
141.43724	0.5
141.49159	0.6
145.02856	1.2
146.03644	2.5
147.04424	0.7
148.01518	1.0
149.02351	31.7
149.05992	3.0
150.03136	100.0
151.00346	2.1
151.03929	18.9
152.04646	1.3
153.01816	0.7
153.05495	0.6
160.01530	0.7
161.02367	1.4
162.03107	1.8
163.03923	1.9
164.04710	6.6
165.05492	88.0
166.02609	4.6
166.05833	3.2
167.03380	1.2
171.10352	0.7
175.02518	0.7
175.03938	1.2
176.22563	0.6
177.05527	2.9
179.03450	1.1
179.07047	8.2
180.04201	7.0
181.04996	7.9
183.13881	0.8
184.27853	0.6
187.03987	1.6
190.06404	0.7
191.03546	1.0
193.04997	1.4
195.06569	47.8
196.06995	1.9
201.11224	1.3
205.05046	1.9
207.06538	0.6
209.11734	3.4
219.06589	1.5
220.07399	1.6
355.11948	0.8
373.13010	0.8
387.10455	1.1
387.14774	1.7
403.14041	1.3
416.14493	0.7
417.15555	9.4
535.20142	1.4
549.17755	0.8
550.18677	0.9
564.20117	1.6
565.20807	20.2
565.29565	1.2
566.21313	2.3
595.22021	2.5
613.23047	3.4
619.21704	1.0
665.82404	0.6
707.82764	0.7
713.25854	8.5
714.26392	1.1
725.26343	0.6
738.77686	0.7
743.26764	2.7
761.27747	0.9
765.35339	2.9
773.27606	0.6
809.30438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.2
59.38467	1.4
71.01250	1.4
89.02362	1.1
109.02843	2.2
122.57970	1.1
137.01366	1.5
137.02356	15.6
140.41415	1.0
145.02858	4.9
147.00806	1.3
147.04486	2.8
148.01482	1.9
151.03896	4.3
152.04718	1.3
153.01849	1.4
158.03523	1.1
161.02390	1.1
162.03165	2.6
163.03909	7.3
164.01035	2.1
164.04665	1.7
165.01846	100.0
166.02390	4.8
174.03142	4.1
175.03915	12.2
176.04686	4.1
177.05528	5.1
179.02043	1.6
179.03433	19.1
179.07030	2.1
180.04208	53.2
181.04973	5.9
181.80801	1.1
188.04727	3.6
189.05479	4.5
189.49165	1.1
190.06297	15.4
191.03403	3.0
191.07077	11.0
192.04173	2.8
192.85278	1.1
193.04985	5.6
194.05765	14.1
195.02852	3.7
195.06567	75.1
196.06851	2.5
203.07120	2.4
205.08655	13.7
206.05763	2.8
207.06557	12.3
208.07330	7.5
209.08122	4.3
210.05273	9.7
222.08931	3.3
225.07642	54.5
226.08060	3.2
229.25813	1.4
300.02713	1.3
301.03406	2.8
302.37851	1.2
350.94684	1.1
374.13803	1.8
387.14694	1.7
388.15271	1.9
389.10977	2.5
389.16061	51.5
390.16245	3.4
403.92953	1.3
419.17038	2.1
447.09262	3.1
514.62231	1.2
552.20496	2.2
567.22327	44.9
568.22546	6.1
597.23346	4.7
615.24451	37.1
616.24609	6.5
645.25354	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	807.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95007	22.4
59.01265	30.2
60.97530	22.9
61.98709	33.1
63.10934	23.5
67.81371	26.6
71.01265	24.4
71.15760	55.4
71.16115	26.0
78.95789	37.5
80.96371	41.5
97.73156	23.8
121.33408	24.6
168.22533	25.1
171.10204	25.0
187.58598	25.4
209.11751	27.9
211.13368	82.5
241.40645	31.4
253.67131	32.4
291.19943	37.0
309.20697	45.2
635.25159	100.0
737.66284	28.4
739.43481	26.1
807.41602	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00795	0.2
57.03316	1.1
57.74616	0.3
59.01253	2.1
61.98690	0.8
69.03333	0.3
71.01244	0.8
71.04888	0.5
71.58132	0.4
72.41448	0.2
73.02797	0.2
78.95771	0.4
78.98460	0.4
79.95607	0.9
80.96392	4.8
82.93006	0.2
83.04897	0.7
84.24271	0.2
85.02833	0.3
86.58811	0.2
87.00756	0.3
89.02288	0.3
89.85747	0.2
91.78674	0.2
92.18918	0.2
94.97970	1.3
95.04903	0.7
97.06481	0.3
99.00788	0.3
101.02317	0.7
106.97936	0.4
108.91116	0.2
109.06475	0.7
111.08040	9.0
113.09625	0.4
121.02834	0.4
122.97470	0.3
123.07996	0.3
134.97496	0.4
135.08105	0.2
137.09592	0.7
139.11203	0.3
148.99100	0.3
149.09604	0.6
152.98456	0.2
155.81189	0.2
164.98543	0.8
165.12704	0.2
167.10663	1.4
177.12740	1.4
179.10756	1.7
193.15877	0.4
195.13831	6.9
203.14326	0.6
206.99591	0.3
209.11653	0.3
224.98492	0.3
225.00662	1.7
247.20695	2.2
253.09337	0.7
269.97668	0.2
270.41110	0.2
273.18607	1.2
277.21719	5.6
278.21964	0.3
289.18228	0.2
291.19662	100.0
292.19995	7.4
805.40448	4.4
806.40662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.9
59.01254	100.0
60.75826	1.4
71.01264	12.8
71.57012	2.8
72.99202	1.5
75.00733	6.4
76.53140	1.3
78.95774	1.5
83.01252	1.8
85.02814	7.1
87.00755	3.6
89.02294	8.1
95.01260	1.7
96.93478	1.4
96.95882	2.0
99.00763	3.4
101.02323	5.7
112.60939	1.8
113.02336	10.2
113.03042	1.8
119.03442	2.6
120.32273	1.6
121.02849	23.2
122.03195	1.8
140.29576	1.7
161.04440	1.6
187.13176	3.2
188.19157	1.5
191.05507	5.4
202.52547	1.4
206.39259	1.4
231.04919	1.5
245.81686	1.7
249.06111	14.7
259.39700	1.5
331.17596	17.1
349.18784	13.6
371.09827	42.1
372.10263	2.8
391.19733	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	805.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.1
61.98728	0.6
61.99018	0.2
69.03329	0.2
71.01257	3.4
71.04921	0.3
73.02798	0.5
78.95803	0.5
79.95647	0.3
80.96383	0.6
83.01204	0.4
85.02832	0.5
87.00763	0.4
89.02337	2.4
96.01084	0.3
98.20541	0.7
101.02319	3.0
106.27708	0.2
111.08015	0.5
113.02334	1.2
113.45123	0.2
113.46053	0.2
119.03375	0.7
143.03369	0.6
152.99440	0.4
161.04443	1.8
171.10228	0.5
179.05551	0.6
179.14333	0.9
186.90886	0.2
195.13858	8.4
196.14415	0.5
199.30109	0.3
205.12270	1.0
205.15897	0.6
211.13300	0.8
223.11346	0.5
223.13354	6.0
223.15381	0.5
228.13593	0.9
235.08145	0.6
253.09265	17.9
254.09735	0.5
256.13135	1.1
265.21872	0.6
275.20190	6.1
276.20578	0.4
277.59299	0.3
293.21228	100.0
294.21570	7.2
492.22195	0.4
529.30176	0.7
569.41895	1.7
805.42175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.3
59.01259	2.6
64.20020	0.2
71.01256	2.1
73.02814	0.3
83.01268	0.4
85.02830	0.7
87.00751	0.5
89.02307	1.9
95.04928	0.2
98.20578	0.4
99.00720	0.3
101.02326	2.1
104.07510	0.2
109.69592	0.2
111.08062	0.5
113.02313	1.1
119.03416	0.5
161.04492	1.3
179.05553	0.6
179.10825	0.3
179.14342	0.8
195.13843	8.0
196.14522	0.6
205.12299	0.7
205.15907	0.4
211.13315	0.3
223.13379	5.3
224.13745	0.5
228.13623	0.5
231.21275	0.4
235.08267	0.7
253.09286	15.1
254.09749	0.3
256.13168	1.1
265.21735	0.4
275.20200	4.9
293.21255	100.0
294.21582	7.0
339.48416	0.2
492.22192	0.6
529.30139	0.4
551.45862	0.3
569.42151	1.5
619.71405	0.3
815.28644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.9
58.00470	4.0
59.01255	56.9
59.54516	1.7
61.98705	4.2
63.72488	1.7
68.99696	2.7
69.03320	4.4
71.01257	51.0
71.57731	1.9
71.58176	3.6
72.99179	6.8
73.02811	7.6
73.30840	1.9
75.00741	5.2
81.03316	2.3
83.01257	4.8
83.04884	2.5
83.68925	1.9
85.02815	13.6
87.00757	12.5
89.02314	29.0
92.04925	2.4
95.01246	4.0
96.95895	31.6
97.02829	6.5
99.00769	7.2
101.02331	26.9
108.02068	3.4
109.02928	2.4
112.98715	2.2
113.02342	19.1
115.00269	3.5
119.03380	4.8
121.02855	2.4
123.04381	3.1
125.02383	9.7
131.03406	4.3
134.04652	3.8
136.03938	4.6
143.04431	2.0
161.02333	2.0
161.04495	5.1
162.03079	4.6
167.14168	2.0
171.10176	6.2
175.02393	2.7
179.05533	8.4
183.13858	33.6
193.04976	4.2
193.12312	4.4
195.13840	47.9
195.15565	3.4
196.14133	2.8
197.11781	6.4
201.11327	5.3
209.11803	18.7
211.13344	87.1
212.13696	8.6
213.14951	16.7
221.06552	2.4
223.13504	2.3
227.12929	3.1
235.08112	4.6
268.19690	2.2
271.02563	2.2
299.02130	2.0
315.26996	4.5
327.27066	2.6
337.11520	2.4
341.73190	2.0
359.25867	5.2
374.72958	2.1
377.27005	9.6
389.26917	4.3
397.13474	20.1
399.12955	2.0
407.28024	60.8
408.28482	8.9
415.14529	15.9
425.29153	38.0
426.29559	3.7
497.45770	2.4
499.32999	2.3
657.34949	7.7
671.34125	2.7
672.30383	2.5
776.73572	2.3
787.40265	3.2
805.42456	100.0
806.42737	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	805.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.4
61.98716	13.9
71.01254	12.3
73.02828	3.6
78.95763	4.2
78.98467	7.0
79.95610	19.1
80.06548	1.8
80.96397	95.3
85.02823	5.0
87.00746	3.8
94.97967	21.9
96.55286	1.9
96.95884	3.6
98.20551	7.3
101.02333	4.6
106.97976	3.3
113.76701	2.1
122.97490	5.0
125.02374	4.2
134.97464	7.7
148.99068	5.6
152.98511	7.9
158.99347	1.9
164.98560	15.7
183.02019	2.2
206.99626	4.2
209.11732	3.2
211.13344	6.7
225.00690	24.6
230.51694	3.5
230.53772	2.6
253.09227	3.5
273.18454	2.1
277.21713	13.9
289.18494	3.2
291.19681	63.6
396.13913	1.9
805.40485	100.0
806.40729	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	805.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.1
59.01255	11.3
61.15754	0.9
63.59227	0.9
65.29819	1.1
69.03322	1.0
71.01257	14.1
71.04900	1.0
71.58161	2.1
72.99177	2.0
75.00747	2.1
78.95788	4.8
79.95620	4.2
83.01256	1.4
83.04897	1.7
85.02822	6.1
85.89999	0.9
87.00752	3.8
89.02323	6.9
92.04936	1.3
96.95901	100.0
96.96896	3.7
97.02799	1.3
98.02339	2.1
101.02333	7.3
111.00742	1.0
113.02329	4.4
115.00298	2.0
116.92738	1.6
119.03343	1.1
121.02901	1.1
125.02337	2.2
127.52611	0.9
131.03412	2.1
134.04610	1.4
136.03963	1.9
142.99631	1.1
148.03908	1.0
160.40178	0.9
161.04451	1.2
163.23473	1.1
165.12778	6.6
174.01601	1.2
175.02307	2.7
175.03847	1.6
179.05518	1.3
183.13844	57.7
184.14194	1.4
193.12271	1.1
197.11775	4.2
201.11287	2.3
209.11778	7.5
210.12253	1.0
211.13356	31.4
212.13728	4.5
213.14940	4.8
223.13324	2.6
227.12842	4.2
235.08218	2.5
235.13287	1.5
241.14400	6.4
251.12885	2.0
253.09358	3.6
253.14172	1.0
255.03127	1.8
259.13416	1.8
263.12933	1.9
271.02484	1.4
275.14835	5.3
275.65140	2.0
284.03253	2.3
299.02039	2.0
299.05396	2.3
308.67667	1.1
337.11218	1.4
397.13574	2.2
431.22632	1.6
463.22220	2.0
534.46375	1.0
657.34900	35.3
658.35370	5.1
687.35992	13.8
688.36255	1.8
697.34271	5.6
699.36218	2.8
715.34760	1.4
719.15564	1.0
723.36047	2.2
727.35876	1.3
805.36603	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54844	0.8
57.03333	0.7
59.01262	4.0
67.01765	2.0
67.41207	0.6
67.74335	0.6
69.37044	3.6
69.37473	3.1
71.01261	3.3
73.02820	1.0
75.00720	0.7
80.02596	0.7
80.27726	0.8
85.02845	1.7
89.02332	1.2
95.01273	1.0
96.95893	1.1
101.02332	1.0
107.04977	0.9
108.02000	0.7
109.02848	4.9
113.02335	1.1
121.02901	1.0
123.00694	1.5
124.01559	0.8
125.02367	1.3
135.04401	1.6
136.01579	1.9
137.02353	27.9
139.00221	1.0
139.03941	0.8
149.02332	2.6
150.03114	3.0
151.00290	12.7
151.03912	3.9
152.00999	2.3
152.04698	3.3
153.01869	1.5
159.04407	1.6
161.02335	1.0
162.03186	0.9
163.03955	1.2
164.01080	2.0
165.01862	100.0
165.05479	3.6
166.02652	35.1
166.06168	1.2
167.03348	3.0
175.03944	3.4
175.07561	0.9
176.04602	0.7
177.01933	2.2
177.05481	1.5
178.02663	1.3
179.03442	24.5
180.04222	60.0
181.05011	42.9
181.06302	0.6
182.05397	1.7
184.03717	1.5
187.03979	2.4
188.04639	1.1
190.02676	1.0
190.06320	1.9
191.03392	0.9
192.04161	2.0
193.04968	1.8
194.05772	4.3
195.06587	88.5
196.06938	3.4
202.06194	0.8
205.05034	6.9
205.08580	1.0
207.06625	1.6
209.04736	0.7
210.05283	13.1
220.07419	4.6
221.08133	1.4
225.07663	80.4
226.07869	3.4
278.67935	0.7
315.14706	1.0
339.08850	0.9
359.11130	1.7
372.12238	1.6
386.13724	1.2
387.10086	6.9
387.15112	7.6
388.11194	1.1
391.44940	0.8
402.13138	5.1
403.14020	3.4
416.15088	3.9
417.15579	66.3
418.15860	6.8
565.17853	2.2
595.21881	63.5
596.22198	8.8
613.22644	1.4
643.23871	23.9
644.24255	3.0
689.87708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	21.2
69.40042	9.4
69.40450	2.3
71.01257	4.6
73.02800	1.8
75.56396	1.7
76.87019	1.3
88.98713	1.9
89.02344	1.7
92.91594	1.3
93.03356	4.1
96.95880	2.4
103.10406	1.3
108.02038	1.5
109.02833	1.5
119.03399	1.5
121.02850	4.0
122.03650	12.4
124.01550	1.5
125.02348	2.5
136.01570	1.7
137.02434	1.2
149.02354	29.0
150.03142	94.9
151.03575	2.7
152.01086	1.8
153.01863	2.0
164.04704	9.6
165.01823	2.3
165.05496	100.0
166.05797	4.2
176.83887	1.4
177.05515	2.3
178.57841	1.3
180.04204	6.2
195.06567	61.5
196.06882	2.1
222.92773	1.7
268.07504	2.9
283.09756	1.9
296.06915	2.2
308.07031	2.1
308.10580	1.6
309.07751	2.4
311.09369	1.8
322.08524	1.7
323.09326	2.3
324.09967	3.1
325.10825	2.3
326.11679	4.4
327.08743	5.7
339.08783	12.3
339.12305	2.5
341.13919	4.0
342.11038	9.6
354.11221	5.1
357.13474	26.0
369.13437	33.5
370.13800	2.1
472.15137	2.4
487.18262	2.0
505.18631	4.1
520.94440	1.6
530.65002	1.4
535.19775	52.5
536.20221	6.4
553.21021	1.7
565.20514	2.3
583.21857	71.7
584.22046	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	805.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.5
59.01250	6.2
61.81366	0.5
61.98692	0.8
65.00182	0.6
67.01767	0.8
71.01257	6.1
72.99167	1.0
73.02821	0.8
75.00751	1.5
83.04873	0.5
85.02816	2.8
87.00770	1.5
88.98708	0.5
89.02316	3.0
93.03365	1.0
95.01324	0.8
96.95903	2.7
97.02824	0.7
98.20506	0.9
99.00761	1.7
101.02326	2.3
102.38126	0.5
108.02077	0.6
109.02852	1.7
113.02356	1.9
113.88696	0.5
119.03408	0.5
119.04890	0.8
121.02819	1.1
123.00753	1.4
123.04426	0.7
125.02338	1.4
134.03673	0.7
135.04445	1.2
136.01544	1.2
136.84462	0.5
137.02350	15.9
139.03935	1.2
145.02905	0.6
149.02295	1.2
150.02986	0.7
151.00279	5.6
151.03947	2.1
152.00975	0.8
153.01822	0.8
154.31400	0.5
160.01599	1.0
160.05316	0.7
161.02400	0.8
163.03923	1.2
164.01079	1.4
165.01854	90.1
166.02641	16.0
167.03247	1.1
175.02391	0.7
175.03897	1.6
176.00966	0.7
177.01862	2.2
179.03433	14.6
180.04211	52.9
181.04994	16.6
182.05350	0.8
183.02843	0.7
190.02783	0.9
191.05597	0.8
192.04210	0.8
193.04997	0.7
194.05804	2.9
195.02873	1.9
195.06573	76.6
196.06909	3.9
201.11259	0.9
205.05034	1.8
207.06609	1.2
209.08174	0.7
209.11772	1.9
210.05290	13.7
211.05878	0.7
211.13347	1.1
220.07335	0.7
225.07657	100.0
226.07961	4.6
271.02524	1.0
296.40881	0.5
300.02820	0.6
315.14523	2.0
327.14380	0.6
345.15668	2.4
357.09448	0.6
359.11008	0.5
387.09824	2.4
387.14914	5.2
402.12930	1.2
417.15561	21.9
418.15942	2.3
565.20184	0.7
595.21814	5.7
596.21973	0.6
643.23547	10.0
644.24323	1.6
805.32770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.2
58.00452	0.7
59.01260	6.4
61.80887	0.9
61.98701	1.6
71.01262	5.4
71.01595	0.8
72.63673	0.8
78.95786	1.1
79.95628	0.9
80.96399	5.5
85.02848	1.3
87.00719	0.9
89.02331	3.2
90.09362	0.7
92.25034	0.6
94.97964	1.5
95.04960	0.9
98.20807	0.8
101.02332	2.7
108.70603	0.9
111.08056	8.4
113.02335	2.5
115.14539	0.7
119.03451	1.5
120.34496	0.8
152.99591	0.9
155.93521	0.7
161.04457	1.6
164.98500	1.0
167.10721	2.5
177.12801	2.3
179.10701	1.8
179.14349	0.9
195.13870	10.7
207.88803	0.7
211.13347	2.0
223.13385	5.3
225.00517	0.8
235.08235	3.4
247.20726	2.1
253.09302	16.3
273.18719	1.6
275.20102	4.1
277.21664	3.5
278.22314	0.9
281.62613	0.7
291.19690	100.0
292.20074	8.4
293.21249	77.8
294.21613	7.0
307.19144	0.7
510.42947	0.8
527.28729	6.6
528.28448	0.9
529.30066	0.9
541.54871	0.8
631.95276	0.8
700.23016	0.9
803.41846	4.6
804.42169	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.6
61.98688	1.4
69.83486	0.8
71.01279	4.3
71.04901	2.2
73.02840	1.0
79.95623	0.8
80.96406	3.8
81.03346	0.8
83.04935	1.0
85.02869	1.0
88.75588	0.7
89.02301	1.8
93.43807	0.9
95.04900	1.0
98.19738	1.3
101.02327	3.7
106.04125	1.2
109.06468	7.1
111.04425	2.5
111.08054	0.9
113.02366	1.1
121.06546	0.9
123.08064	1.3
143.10681	1.3
149.09669	1.2
161.04466	1.2
163.28107	1.0
167.10640	1.7
179.05615	1.2
179.10800	0.9
181.12236	1.1
195.13852	3.1
235.08188	1.4
245.19118	3.1
253.09299	8.7
277.21735	63.2
278.21976	4.8
289.18112	100.0
290.18402	8.0
291.19812	1.0
307.19247	4.5
333.88974	0.8
461.86044	0.9
525.27045	2.6
539.90704	0.8
734.48145	0.9
803.42682	4.1
804.43219	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31944	0.2
56.85585	0.2
58.68330	0.3
59.01254	3.1
61.98696	0.3
67.01750	0.3
71.01258	0.9
71.28871	0.3
71.29188	0.4
72.99217	0.3
73.02818	0.3
75.00766	0.3
78.95797	0.3
85.02814	0.3
89.02332	0.6
93.03342	0.8
96.95901	0.7
101.02324	0.4
104.99672	0.3
108.02091	0.3
109.02834	0.6
113.02296	0.3
116.92695	0.4
121.02858	3.9
122.03625	0.6
123.04414	0.5
123.94138	0.3
125.02391	0.4
128.33147	0.3
134.03638	0.2
135.04459	0.3
136.01511	0.2
136.05215	0.5
137.02380	1.2
137.05951	0.3
138.03165	0.4
139.00252	0.5
145.02858	1.8
147.04416	1.4
149.02325	0.3
150.03157	0.7
151.00175	0.3
151.03918	0.5
153.01826	0.7
153.05559	0.5
154.02605	0.3
159.04486	0.4
160.01564	0.4
161.02339	0.6
161.05962	0.5
162.03201	0.5
163.03912	4.4
164.04601	0.3
165.01866	1.2
165.05458	0.6
166.02600	0.5
167.03412	0.9
173.02330	0.6
173.06029	0.7
174.03133	1.7
175.03929	14.5
176.04709	2.7
177.05490	2.3
178.02498	0.3
179.03426	1.8
180.04210	10.2
180.05779	0.6
181.04691	0.8
187.03894	0.3
188.04703	3.4
189.05502	7.1
190.06285	18.2
191.03482	0.5
191.07059	12.5
192.04166	0.6
192.07401	0.5
193.05003	9.6
194.05779	6.9
195.06476	0.4
203.07007	2.1
205.04990	0.8
205.08650	17.3
206.05756	0.4
206.09047	1.3
207.06583	5.7
208.07358	11.4
209.04477	0.5
209.07874	1.0
211.13342	0.9
220.07423	0.4
221.08112	0.4
222.08881	1.2
223.06160	0.4
223.09766	1.7
235.09761	0.4
270.09698	0.3
299.01849	0.3
300.02832	0.5
314.11191	0.3
329.10269	0.5
341.10114	0.6
343.12015	0.3
344.12631	4.3
345.13324	2.0
356.12598	0.7
358.14255	0.7
359.15002	100.0
360.15314	8.1
360.19586	0.5
367.10474	0.5
371.15002	1.3
373.16574	2.6
375.14590	0.8
385.13220	0.6
389.16061	12.3
390.16394	1.0
403.17563	0.3
431.17041	4.9
432.17435	0.5
599.25006	26.8
600.25165	3.7
641.25299	0.5
722.30145	0.7
803.31403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	6.9
57.85232	2.0
58.00473	3.1
58.72847	2.2
59.01254	77.6
60.68920	2.7
61.98721	2.8
66.30338	2.7
69.03339	5.5
70.54843	7.5
71.01256	54.8
73.02817	10.4
74.31824	2.6
75.00771	3.2
81.03339	5.0
83.01272	4.2
83.04879	9.3
85.02843	14.8
87.00758	18.2
89.02320	38.8
94.41521	2.4
95.01313	3.2
97.02824	8.4
97.06485	3.8
101.02333	35.7
109.06441	3.3
111.08025	6.9
113.02347	20.0
119.03383	10.5
121.06487	3.2
123.08085	5.8
125.02322	15.6
125.09615	14.0
143.03366	6.6
161.04474	8.5
171.10196	63.0
179.05527	15.4
185.11578	2.9
187.09763	3.2
205.15862	7.7
209.11768	10.6
211.13354	25.4
215.14346	11.2
221.06723	6.6
231.13855	7.2
233.15446	46.6
235.08084	4.0
249.14949	36.9
283.19354	2.8
341.24863	9.2
353.86951	2.9
375.25510	6.6
379.12454	4.2
385.23758	31.1
397.13467	38.8
403.24933	55.2
404.25247	4.8
415.14578	5.3
421.25937	35.2
422.26569	5.3
467.43839	3.0
482.87958	2.6
611.02014	3.2
773.40430	3.4
783.38092	100.0
784.37915	18.8
801.39282	95.8
802.39697	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	803.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	12.2
60.10461	1.8
69.56671	8.9
69.57092	6.6
71.01258	12.1
73.02874	3.1
85.02825	7.6
87.00785	2.5
89.02319	2.8
93.03384	3.6
95.01283	5.4
96.95940	4.1
99.28549	2.2
101.02322	6.3
108.02063	94.8
109.02852	37.1
111.00814	2.4
113.02330	4.6
121.02952	1.9
122.53999	2.0
123.00811	5.3
123.04424	7.2
125.02374	6.9
134.03622	7.7
135.00806	4.1
135.04454	4.6
137.02370	2.8
151.00304	4.9
151.03912	3.7
152.01068	85.6
153.01855	49.8
160.01579	6.6
161.02325	4.5
163.03923	3.3
166.02600	2.4
167.03430	24.1
175.03955	6.4
179.03456	2.4
193.05040	4.6
195.02917	2.3
233.48177	2.5
253.14171	2.3
295.08206	2.3
296.05319	3.6
297.06229	8.2
311.07773	11.5
315.07416	6.7
421.11557	4.2
465.10394	100.0
466.10901	6.9
489.10675	3.2
627.15668	27.6
641.13257	2.1
650.13849	2.1
802.39905	2.4
803.20148	35.6
804.20728	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	801.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	5.2
58.00465	4.6
59.01258	66.7
61.98705	3.5
65.03828	3.6
69.03339	4.4
69.07944	2.2
70.89106	2.7
70.89440	5.3
71.01257	51.3
72.99185	5.9
73.02824	7.4
77.92717	2.1
81.03326	2.8
83.01231	3.4
83.04895	7.0
83.70640	2.2
85.02831	13.3
85.06460	2.9
87.00756	14.7
89.02325	46.3
92.04946	2.9
93.03352	2.3
95.01287	3.5
95.52652	2.4
97.02829	7.7
97.06458	6.2
99.00782	5.3
101.02329	36.8
109.06483	5.5
111.04413	2.6
111.08067	3.9
113.02355	16.3
119.03387	9.8
121.02835	2.4
123.08041	2.3
125.02357	14.1
125.09649	12.7
127.03873	2.2
134.92685	2.2
143.03429	5.0
145.05008	3.6
147.73059	2.4
158.54570	2.5
161.04480	6.4
162.41022	2.3
171.10205	45.8
174.01740	4.6
179.05486	15.6
185.11731	7.0
205.15921	3.7
209.11838	16.7
211.13356	28.1
215.14406	7.9
221.06677	6.5
231.13936	7.3
233.15451	51.1
234.15703	3.2
235.08258	5.1
247.17285	2.8
249.14980	31.5
331.26404	3.6
341.25037	3.8
359.25903	3.8
367.22681	3.5
375.25351	4.1
379.12491	6.9
385.23846	23.1
386.24301	3.0
393.26288	2.9
397.13553	28.8
403.24915	45.1
404.25198	4.0
415.14218	3.7
421.25928	29.4
422.49948	2.6
429.04248	2.5
477.30505	2.8
638.16956	2.7
647.29254	4.3
669.29688	4.6
773.39069	5.1
783.38147	100.0
784.38434	22.1
801.39429	68.6
802.39984	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	801.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	6.7
59.01250	44.3
61.98687	2.2
69.03315	2.4
71.01252	31.0
71.57630	2.2
71.58047	3.4
72.99187	10.4
73.02826	6.5
75.00751	29.1
80.96393	5.9
83.01270	4.3
85.02824	33.4
87.00737	11.3
89.02338	10.4
93.03338	15.2
93.69378	2.0
95.01237	5.8
96.95880	24.8
97.02758	2.2
99.00757	17.6
100.25291	2.3
101.02348	8.9
103.00285	2.7
103.03902	2.5
108.02026	2.7
111.04391	2.7
113.02330	28.8
115.00239	5.9
116.92748	9.6
117.01810	2.2
119.04925	17.5
120.05200	5.1
130.89067	2.2
131.03366	3.5
134.03624	4.9
135.04475	2.5
137.02341	18.3
145.02881	5.7
149.02408	4.2
151.00333	4.4
151.03947	2.8
163.03918	19.0
164.04321	7.1
165.05495	2.9
175.02499	4.7
175.03902	3.2
179.03410	2.3
190.02693	2.8
191.05606	2.6
193.01054	2.6
195.06651	3.2
221.19078	21.5
223.06042	2.4
249.06265	8.0
265.18149	11.9
267.07263	5.0
271.02502	4.5
271.06097	2.8
283.19147	18.6
284.03183	3.2
289.07300	2.9
299.01974	3.7
301.20193	28.7
625.30969	6.1
801.34344	100.0
802.34625	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	801.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	2.7
59.01255	42.2
61.98703	3.8
63.53749	1.6
65.03830	2.0
69.03330	3.4
69.49765	7.6
69.50189	6.6
71.01257	42.5
72.99185	4.5
73.02825	4.7
75.00764	2.9
78.23740	1.5
78.31363	1.8
80.96410	2.0
83.01262	4.7
83.04901	3.5
85.02836	10.6
85.03268	2.0
89.02322	23.6
95.01299	2.7
95.04924	2.6
95.61603	1.7
96.95876	1.7
97.02833	7.8
97.06465	4.6
98.13097	1.5
98.19748	3.0
99.00753	4.6
101.02329	21.0
102.06937	1.8
109.02855	1.9
109.06504	1.9
111.00759	2.9
111.04363	1.9
113.02335	11.1
113.39280	1.8
115.00241	2.5
119.03400	6.1
121.02872	2.3
123.08073	3.5
125.02328	6.3
125.09628	15.5
131.03391	1.9
143.03389	2.9
149.46844	1.6
161.04446	4.2
171.10252	2.0
175.02394	2.6
179.05585	6.0
179.14322	2.1
183.13849	2.6
197.11778	2.0
209.11797	21.7
211.13350	32.0
213.14803	3.9
215.14363	6.7
221.06610	4.1
223.13361	13.3
233.15443	61.2
234.15823	3.5
235.08200	2.8
241.14478	4.9
251.16582	3.0
253.09348	2.9
299.02286	2.4
306.07550	1.9
331.26511	2.4
341.24927	2.0
341.40112	1.7
375.25330	2.9
379.12582	2.0
385.23804	18.0
393.26550	3.0
397.13657	12.2
403.24887	24.5
404.25333	2.5
415.14502	2.5
416.28799	1.9
421.25970	6.6
459.22473	3.4
783.38098	100.0
784.38141	18.3
801.39111	12.7
802.38788	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	801.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	6.7
59.01254	54.6
63.02774	4.9
64.09990	5.4
71.01241	47.0
73.02820	9.2
75.65372	5.6
83.01239	9.3
85.02820	19.8
87.00755	27.6
89.02300	30.8
101.02334	29.5
110.00603	7.1
111.04496	6.1
113.02333	15.0
122.03664	10.0
123.55048	5.6
125.02382	11.2
161.04512	6.6
179.05611	6.3
183.13853	13.7
191.05444	14.9
199.44228	5.6
211.13347	77.1
213.14896	25.4
223.13478	11.0
229.29642	6.3
235.08217	9.5
241.14397	82.9
253.09380	8.7
253.14372	16.5
259.13196	10.4
277.14548	8.3
280.43253	6.1
381.24838	6.9
397.13556	100.0
415.14499	39.8
482.54669	6.6
568.45514	8.5
609.27643	17.1
639.28827	71.1
640.29077	13.0
649.27570	7.9
651.28510	11.4
661.26648	10.0
667.27240	6.9
739.29980	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	801.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	6.0
58.00467	9.5
59.01251	68.0
69.03336	5.7
71.01252	56.1
71.44468	6.0
72.99184	6.6
73.02825	5.9
75.00755	2.5
78.87715	2.2
83.01248	5.1
85.02827	14.8
87.00770	22.3
89.02327	46.1
93.03314	3.5
95.01270	5.8
97.02841	8.9
97.93509	2.2
99.00753	4.3
101.02320	43.3
109.06468	2.8
110.05419	2.4
111.00774	3.6
111.04428	3.2
113.02330	19.2
115.00267	2.2
119.03382	14.8
119.04893	3.8
124.01553	2.5
125.02345	12.7
134.03670	2.5
137.02373	4.2
141.01842	2.8
143.03500	2.4
157.60907	2.3
161.04480	9.1
164.74803	2.5
165.12788	3.8
173.04425	4.5
179.05547	7.2
183.13875	12.5
197.15340	4.2
205.15501	2.6
207.13803	3.1
211.13342	100.0
212.13669	7.5
213.14929	37.3
219.13812	3.1
221.06642	4.2
221.11829	2.9
223.13416	12.7
233.06622	8.4
235.08205	8.1
235.13329	12.2
241.14409	99.3
242.14699	6.9
243.16098	3.0
247.13234	3.0
251.12794	12.2
253.09213	3.5
253.14474	15.9
259.13269	14.0
259.15701	3.6
263.12866	9.1
277.14444	9.1
281.13715	2.7
296.15225	2.5
296.18594	2.5
298.93185	2.5
305.08707	4.8
307.87872	3.2
319.08148	2.8
323.09851	3.0
397.13501	98.5
398.13904	7.2
415.14630	54.2
416.15231	4.1
479.43094	3.0
526.90326	2.5
594.32349	2.7
609.27588	31.9
610.27832	5.3
612.50537	2.8
639.28687	91.4
640.28857	13.9
649.27124	10.2
651.28839	9.8
661.27197	9.6
667.28333	9.6
675.28534	5.9
679.27911	9.2
691.28198	5.6
739.30243	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	801.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.5
58.00466	1.5
59.01252	46.3
61.98698	4.4
65.00188	1.6
68.99716	1.7
71.01257	29.7
71.58205	1.4
72.99162	3.5
73.02830	5.3
75.00740	2.6
78.95802	2.6
78.98465	1.7
79.95626	3.2
80.96395	23.4
83.01271	2.3
85.02827	11.2
87.00754	4.5
89.02323	16.0
92.04951	2.9
93.03341	4.9
94.97974	4.5
95.01260	2.2
96.95918	2.5
97.02822	2.2
99.00754	3.6
101.02337	10.4
109.02861	5.6
113.02330	6.9
115.00298	2.5
117.03348	1.7
119.03380	1.7
119.04868	1.6
121.02838	16.5
121.10089	2.4
125.02318	3.7
128.03452	1.6
131.03438	5.6
131.04472	2.0
133.02876	1.6
134.97504	2.0
136.03972	4.7
137.02342	2.9
139.03938	3.4
142.99713	2.1
145.02859	7.0
148.99089	3.1
149.02371	5.7
151.00273	2.3
152.98578	2.4
161.04457	1.9
163.00330	3.6
163.03903	3.8
164.98511	2.3
165.09125	2.7
171.10226	2.1
174.01628	3.3
175.00388	2.2
175.02371	2.4
175.03847	2.5
177.01854	5.6
178.99780	1.7
189.01872	42.9
190.02597	5.8
191.03526	2.3
209.11758	7.4
211.13341	8.9
217.01312	2.7
225.00655	7.1
231.02980	2.2
239.07263	2.4
255.02924	5.0
265.05081	2.0
267.06763	3.2
271.02533	8.1
281.04550	1.7
283.02591	1.4
283.06030	2.3
285.04187	1.8
297.04114	1.9
297.13455	1.9
299.05609	3.9
300.02780	16.0
301.03516	5.9
311.05585	9.9
313.03494	1.9
315.14572	10.8
325.03558	2.3
326.04080	1.5
327.04980	6.7
328.02444	1.5
328.05814	7.3
329.16107	2.0
339.05124	66.1
339.20691	1.9
340.05508	6.5
397.13583	1.5
399.23822	6.8
417.24973	3.1
459.25552	1.9
475.17621	5.3
505.20724	6.9
509.31519	1.8
627.21045	8.2
654.23065	15.6
655.24011	49.8
656.24585	6.0
665.10590	1.8
672.29987	1.8
783.36536	2.6
801.29016	100.0
802.29382	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	801.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	11.6
61.98702	5.0
65.00201	0.8
68.99693	0.8
69.03316	0.7
69.70811	1.4
69.71220	3.7
71.01250	5.7
72.99168	1.7
73.02825	1.0
75.00744	1.6
83.01256	0.9
85.02818	3.8
87.34087	0.7
93.03329	2.8
96.95869	0.8
97.02848	0.9
97.87608	0.8
99.00744	0.9
101.02290	3.8
107.01270	0.9
108.02068	2.0
109.02837	5.0
110.85333	0.8
113.02306	3.1
119.03432	1.0
119.04987	0.8
121.02855	5.4
122.03629	1.2
123.00755	2.1
123.04393	1.0
123.69653	0.8
123.72135	0.7
124.01485	1.1
125.02319	1.2
131.55537	0.8
133.02870	0.8
134.03650	1.1
134.44685	0.8
136.01569	43.7
137.02350	6.7
138.03033	0.8
139.03870	1.4
145.02740	0.8
149.02333	2.5
149.05930	1.2
150.03111	0.7
151.00294	6.8
151.03926	57.0
152.01044	1.9
152.04369	1.1
156.18823	0.8
159.04369	0.9
160.05191	1.1
161.02306	2.1
162.03110	1.3
163.03879	2.4
164.04646	0.8
166.01259	1.7
166.02637	31.3
167.03273	3.2
171.04430	0.7
175.00305	1.0
175.03932	4.1
175.07608	1.4
176.04596	1.2
177.01886	5.3
177.05551	1.0
179.03447	1.3
181.04994	43.9
182.05293	1.9
189.01779	2.8
189.05490	2.0
190.02679	4.2
190.06238	3.0
191.03362	2.6
191.07072	1.5
193.04930	1.4
203.03471	1.3
205.01375	1.1
205.04988	2.6
205.08638	1.0
206.05661	2.3
209.11754	1.7
220.07304	1.2
221.08174	6.5
242.02106	1.0
255.02948	1.5
271.02322	2.4
281.04611	1.8
281.07913	0.9
282.05334	2.0
283.02438	3.4
283.06036	1.2
284.03174	0.9
293.04449	1.8
294.05203	2.1
296.03412	1.0
297.03922	2.9
300.02570	1.2
309.07617	2.1
311.05524	2.9
315.14471	1.5
324.10071	1.0
325.14267	1.9
326.04260	4.9
327.04980	4.1
327.08417	1.5
328.05704	1.1
329.10214	2.0
339.05206	4.7
342.11038	4.5
343.11505	1.1
357.09607	10.6
357.13376	33.4
358.13889	1.9
369.13333	2.5
371.15024	2.3
372.12143	10.7
373.12390	1.6
387.14523	100.0
388.14810	8.0
401.15936	2.5
459.14197	0.9
475.17804	6.5
476.17960	1.0
493.18497	1.2
505.20782	3.2
533.20422	1.1
564.62036	1.1
567.22424	8.2
568.22748	1.2
579.21783	1.4
597.23370	29.9
598.24005	3.8
621.23315	1.4
621.32318	1.3
654.22833	6.9
655.23920	11.4
656.24310	1.1
801.29633	51.0
802.29987	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	801.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	8.3
63.02262	1.8
65.00212	5.0
68.99692	0.9
69.34341	0.8
69.46615	6.0
71.01261	6.3
72.99191	0.9
73.02814	1.0
75.00745	3.1
83.01267	3.3
85.02830	2.9
87.00749	1.3
89.02261	4.0
93.03393	0.9
98.19878	1.9
99.00768	1.1
101.02312	1.2
107.01263	8.7
109.02853	2.8
113.02327	3.6
115.75871	0.8
121.02843	2.4
125.02359	1.2
126.53130	1.1
133.02855	1.7
134.03610	1.2
135.00813	0.9
135.04391	1.1
139.03871	0.9
144.47794	0.7
145.16698	0.7
148.01540	1.1
149.02338	1.2
151.00278	30.4
153.01865	1.1
160.01590	3.2
161.02332	3.3
163.00301	1.5
163.03894	0.9
164.00996	0.7
165.02002	1.0
169.01344	2.7
171.04422	2.0
175.00247	3.1
175.03960	3.8
178.99786	7.8
179.03554	1.3
179.05333	0.8
187.03976	1.3
199.03934	7.3
201.01868	1.5
201.05672	0.8
215.03465	3.7
225.01840	0.8
226.02550	1.8
227.03511	6.4
242.02138	1.2
243.02942	7.8
249.06155	1.6
254.02121	1.2
255.02960	4.8
267.07278	1.4
271.02484	77.0
272.02951	6.9
283.02448	1.4
285.04135	1.5
299.01978	100.0
300.02707	41.2
301.03528	78.2
302.03931	6.4
313.03589	1.0
315.01563	0.8
315.05109	13.8
316.05566	1.5
323.07825	5.4
353.08771	1.5
433.07712	4.5
447.09396	1.0
463.08923	10.6
517.10303	1.8
552.30957	0.9
572.92072	0.9
638.12854	6.5
639.13586	56.7
640.13861	7.7
668.13702	2.8
669.14362	12.1
670.14783	1.2
757.34918	11.8
758.36298	0.9
801.18805	27.8
801.33209	1.8
802.19324	6.3
805.05988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.1
61.98711	16.3
71.01271	3.4
71.57268	1.7
78.95799	2.6
79.75524	1.1
83.04897	1.5
85.02806	1.4
88.98712	1.4
89.02309	3.2
95.01141	1.2
97.02818	2.0
100.70134	1.4
101.02358	3.1
113.02306	2.3
121.02921	1.2
125.09612	1.6
133.26958	1.5
145.04959	1.9
161.04529	1.4
165.12762	2.7
171.10211	3.2
176.15642	1.2
183.13869	7.9
193.12289	2.5
197.11783	11.2
203.00180	1.2
209.11865	10.3
211.13350	100.0
212.13669	4.1
227.12866	3.7
235.08252	4.3
253.09341	12.7
291.19656	23.3
292.20020	2.4
293.21237	9.5
307.19211	1.7
309.20731	51.1
310.21103	5.2
447.22440	7.9
503.33209	1.5
545.29810	2.7
800.46613	2.0
833.74609	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	799.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	16.1
69.03331	0.8
71.01264	5.9
73.02827	1.1
78.95776	1.8
78.98465	2.3
79.42131	0.6
79.95617	4.5
80.96396	23.5
82.95967	3.0
83.01232	0.5
85.02831	1.9
87.00726	1.5
88.40031	0.6
89.02321	1.5
94.97973	5.4
95.01258	0.7
97.02808	0.7
98.19789	1.6
101.02340	2.9
106.97968	1.8
113.02360	1.5
121.13840	0.6
122.97471	0.8
125.02364	0.8
126.26676	0.6
134.97447	1.4
136.99063	0.9
148.99034	2.3
152.98497	2.0
152.99577	0.9
161.04456	1.0
164.98529	3.9
171.10110	0.9
183.13852	5.8
193.12257	1.8
198.48425	0.5
206.99631	1.0
209.11780	0.6
211.13350	100.0
212.13721	3.7
225.00702	6.4
226.00879	0.9
235.08214	1.4
253.09305	6.6
255.23312	1.7
264.69574	0.6
277.21732	49.2
278.22128	3.8
350.69968	0.6
373.33664	0.5
429.21146	1.1
447.22406	6.3
448.22318	0.7
709.38391	14.8
709.50171	1.1
710.38324	3.3
734.01581	0.6
781.41010	2.0
799.43225	11.1
800.43146	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	799.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13389	0.6
58.71476	0.6
63.96136	0.6
67.08350	0.8
68.71874	0.7
69.28953	7.6
71.01247	0.8
77.60919	0.6
78.95777	60.2
78.98437	0.9
79.95628	1.8
80.02544	0.7
80.96397	11.3
83.04897	3.7
84.02023	0.9
87.00722	0.8
94.97963	2.8
96.96842	13.4
98.19740	1.6
99.00809	0.6
101.02281	0.8
125.09591	3.1
127.11170	4.0
137.09637	0.8
148.99016	1.0
152.98355	0.8
152.99498	12.7
155.10719	1.2
163.11172	2.4
164.98572	2.1
165.09114	1.7
165.12767	1.6
171.00615	0.7
171.10182	1.7
184.10204	0.7
191.10637	0.8
199.09758	1.1
201.11258	44.0
202.11546	2.1
209.11774	37.6
210.12251	1.6
223.00117	4.7
225.00638	4.0
227.12849	3.7
241.01146	31.5
242.01518	0.8
255.23268	33.3
256.23563	2.6
259.02148	2.5
297.03821	1.0
300.34488	0.7
303.17020	0.8
315.04861	1.1
381.13297	1.6
391.22409	1.5
709.37988	6.6
710.38354	2.1
751.79535	0.8
755.39514	0.9
781.41107	8.4
782.41321	1.1
799.42432	100.0
800.42786	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	799.4157
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
59.01245	3.5
61.98700	3.0
70.18417	9.6
71.01241	10.3
78.95782	6.0
78.98478	7.7
79.95612	20.6
80.96395	100.0
85.02819	3.0
87.00767	3.3
94.97955	20.1
97.02792	3.2
101.02345	4.2
106.61849	2.2
106.66566	2.4
106.98005	4.1
122.97453	4.3
125.02346	4.7
134.97450	7.6
148.99071	7.6
152.98540	9.3
162.08328	1.9
164.98531	14.4
206.99648	3.4
207.10219	2.7
211.13310	11.9
225.00682	33.1
226.01073	2.3
241.01263	3.4
253.09261	3.0
255.23247	7.4
277.21725	7.5
328.07352	2.6
453.14136	4.2
466.51215	2.2
709.38373	77.8
710.38678	11.9
781.40210	18.5
782.41486	3.3
799.41956	34.7
800.42047	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	793.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86009	0.2
58.29711	0.2
59.01248	1.0
61.98693	0.7
66.73638	0.2
68.75226	0.2
71.01264	0.5
71.58044	0.3
72.04429	0.2
73.02821	3.1
75.00747	0.5
78.95791	0.4
87.00758	0.3
89.02308	0.4
99.00780	1.1
99.92463	10.6
100.92451	0.5
114.93301	0.7
116.03401	0.3
116.92747	100.0
116.97119	2.9
117.01821	6.4
117.92756	3.8
171.10251	0.4
171.76447	0.2
258.31488	0.2
277.21768	0.2
280.78967	0.2
335.17685	0.2
343.39746	0.2
397.13593	0.4
455.05600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	7.4
59.01254	19.5
59.60067	7.0
61.98694	30.4
62.86945	7.5
63.20217	6.8
71.01237	12.7
71.18910	13.7
78.95780	13.5
80.68277	8.0
85.02857	8.0
87.00754	14.1
101.02356	11.2
201.11264	40.8
209.11743	100.0
211.13330	27.0
227.12827	29.9
253.09302	39.8
293.21176	74.9
309.20670	28.5
422.23798	7.9
649.65503	9.1
660.66821	9.0
765.68793	9.6
793.40375	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.2
57.18027	2.0
59.01249	15.1
59.32368	1.9
67.01776	4.9
69.03329	3.4
69.32535	17.7
71.01254	15.3
73.02834	5.9
75.00735	4.3
79.65016	2.1
80.96393	4.1
81.03315	4.2
85.02830	11.4
87.00768	11.1
89.02321	3.4
93.03338	23.3
94.03681	2.7
95.01254	4.5
96.95875	8.6
99.00726	2.6
101.02323	5.6
108.02057	79.6
109.02866	23.7
111.04367	3.6
113.02315	7.7
117.03349	28.2
119.04916	76.4
120.05244	8.3
121.02798	2.1
125.02332	4.1
132.02013	3.1
134.03630	8.2
135.04393	5.3
137.02338	2.4
145.02856	100.0
146.03210	5.1
150.03151	2.2
151.03937	2.4
152.01059	95.7
153.01852	29.4
160.01566	13.2
161.02332	7.0
163.03922	54.0
164.04338	4.1
165.01892	2.5
173.04439	5.8
175.03969	12.8
179.03416	6.6
180.47116	1.9
191.05577	22.3
192.05887	5.3
193.04883	3.5
202.94157	1.9
205.05147	2.1
242.55923	1.8
249.05963	2.9
261.90350	2.3
267.07114	5.5
285.03909	3.7
299.05356	2.4
307.08383	4.9
315.07190	22.9
323.07687	3.2
329.16174	2.9
337.09030	2.7
417.11859	4.9
459.12119	2.2
461.10901	38.4
462.10904	2.5
491.20908	4.1
623.16260	45.3
624.16290	7.4
661.62524	2.2
732.35339	2.0
754.88647	2.2
755.35712	2.8
798.28375	9.0
799.18945	57.7
799.31592	7.6
800.19977	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	793.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55082	1.1
59.01246	2.0
60.99180	1.5
67.52036	1.0
71.01262	1.4
72.54195	1.0
72.99175	1.3
78.95774	1.3
123.04407	1.4
136.01610	1.2
138.52509	1.2
151.03899	3.1
154.99796	1.5
155.95970	1.0
170.99167	1.2
172.00073	5.3
223.13431	1.3
277.21713	2.3
291.19635	1.9
347.75220	1.2
362.62866	1.1
418.04834	1.1
432.19257	1.6
446.17731	1.5
460.19107	11.7
461.19925	8.4
475.21304	6.7
519.20410	12.9
520.20764	3.0
533.21216	1.4
534.22485	2.2
589.23883	1.4
603.17151	1.1
621.27222	100.0
622.27722	14.7
762.37585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.9
61.30067	0.9
61.98692	1.8
71.01246	1.5
72.99184	2.8
77.02814	1.2
84.53759	1.0
93.35519	1.0
96.79372	1.0
98.19783	3.3
103.48940	0.9
109.72731	1.1
112.34716	1.0
115.45084	1.0
116.92734	5.6
134.79323	1.0
170.99280	2.0
172.00119	7.2
338.02533	1.2
446.17316	1.3
460.19104	11.9
461.19775	8.8
474.20828	1.9
475.21506	6.5
476.22272	1.6
519.20422	12.9
520.20782	2.4
534.22614	2.5
539.61066	1.2
589.24365	3.8
621.27222	100.0
622.27515	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	793.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99098	0.2
59.01245	0.7
61.98712	0.2
73.02828	4.3
75.00743	0.8
87.00756	0.2
89.02336	0.2
99.00742	1.7
99.92463	10.5
100.92496	0.6
113.02295	0.2
114.58728	0.2
114.93319	0.6
116.03460	0.2
116.92751	100.0
116.97070	0.8
117.01831	6.6
117.05467	0.4
117.92763	4.4
144.92215	0.1
171.10141	0.4
261.23807	0.2
277.21985	0.2
293.21216	0.3
367.29602	0.2
397.13666	0.3
455.04929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	0.6
59.01245	1.9
63.99239	0.6
64.48457	0.5
66.83382	0.5
69.24467	7.0
71.01238	1.0
72.99177	2.7
78.95779	1.0
87.00761	0.9
94.34194	0.6
104.21812	0.6
117.64145	0.5
119.89384	0.6
123.94736	0.5
130.33165	0.6
130.84970	0.7
140.98175	1.1
154.99788	1.6
170.99236	1.0
172.00038	7.6
173.00842	2.8
223.13240	1.2
234.21892	0.6
277.21790	1.1
291.19678	1.4
445.16736	0.7
446.17395	0.6
460.19058	10.2
461.19748	7.4
474.20724	1.1
475.21393	6.7
476.21838	2.2
481.98767	0.6
519.20355	12.3
520.20740	2.0
533.21918	1.3
534.22461	2.2
589.24939	3.3
621.27167	100.0
622.27521	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	793.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98745	0.6
56.59706	0.6
59.01261	1.8
66.74620	0.6
71.01257	1.5
71.58099	0.7
72.99181	2.4
78.95784	1.1
80.96408	0.7
87.00742	0.6
99.00704	0.7
99.10657	0.8
153.13550	0.6
170.99297	1.1
171.10265	1.6
172.00108	6.0
209.11719	0.7
223.13379	2.3
235.08287	0.8
259.55133	0.7
277.21750	2.7
291.19727	1.9
327.42136	0.8
445.16373	0.9
446.17136	1.2
460.19092	11.2
461.19849	8.5
462.20334	0.7
474.20490	2.8
475.21411	7.2
476.22186	1.6
515.39355	0.7
519.20465	13.2
520.20746	3.2
533.22186	1.5
534.22620	1.8
589.24414	2.3
621.27240	100.0
622.27600	18.3
668.34247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10688	0.3
58.30652	0.3
59.01241	1.5
60.99168	0.8
68.99676	0.6
71.01250	1.5
72.99187	2.9
78.95779	0.5
87.00728	0.5
96.95869	0.4
99.00744	0.7
106.06508	0.4
135.04453	0.4
140.40573	0.4
140.98195	1.3
154.99887	0.5
161.02350	0.9
170.99281	0.7
171.10078	0.7
172.00058	7.3
173.00749	0.5
181.12167	0.3
199.09787	0.4
201.11288	1.0
207.10332	0.5
253.09262	0.4
272.46112	0.4
277.21643	1.9
291.19745	0.5
328.14777	0.5
432.19659	0.6
445.16696	1.1
446.17612	0.7
460.19067	11.9
461.19867	9.1
462.20380	1.4
474.20691	1.7
475.21509	7.0
476.21780	1.2
505.18454	0.6
519.20502	13.5
520.20630	2.3
533.22321	1.8
534.22369	2.5
589.24640	2.0
621.27240	100.0
622.27557	15.0
793.51154	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	51.4
61.98717	32.4
70.63648	29.9
70.63972	65.1
71.01232	30.1
78.95789	100.0
80.96400	49.2
86.38179	28.5
90.75038	28.4
96.95931	37.5
211.13336	97.2
251.64233	32.1
277.21390	29.6
293.21194	60.3
424.33405	27.1
518.40417	26.6
529.72485	32.5
612.31604	31.9
669.77911	33.0
791.41650	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	27.0
61.50492	17.4
62.32672	16.5
63.52639	15.4
64.22472	13.6
71.01271	28.8
78.95788	57.9
79.16688	15.5
80.96410	21.7
96.95861	21.0
98.20647	31.1
122.18752	16.6
152.99553	28.5
195.13852	16.0
195.71072	15.2
198.68288	15.9
209.11729	100.0
229.82610	16.9
235.01610	15.2
253.09424	24.2
277.21753	68.4
279.19714	62.5
293.21246	54.1
294.60391	22.2
299.48618	15.8
351.20789	16.2
354.55447	22.7
791.49457	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14433	0.6
57.03308	0.9
58.00467	1.1
59.01254	6.0
65.00196	0.7
68.99698	0.8
69.32828	6.2
71.01270	6.1
72.99184	1.9
73.02823	1.8
75.00755	5.7
83.00804	0.6
83.01255	3.0
85.02811	5.2
85.98752	0.5
87.00753	3.2
89.02332	1.0
93.03362	0.8
95.01258	0.7
96.96889	0.6
99.00745	6.4
100.01543	6.9
101.02340	1.8
102.02864	0.6
109.02854	0.6
111.00767	16.7
113.02325	7.1
113.99471	15.6
115.00259	2.1
128.01054	7.6
129.01849	0.7
137.02336	1.4
139.00276	0.9
141.06636	0.6
156.00554	100.0
157.00955	3.4
163.03821	0.9
173.04514	1.7
174.01617	54.1
175.02386	5.0
193.03410	1.2
227.14604	0.6
235.04359	0.6
535.21753	1.2
571.24237	2.0
572.25287	1.0
643.26227	1.0
657.27600	0.9
685.27106	46.5
686.27405	8.6
687.25403	4.0
729.25879	1.6
747.28198	3.1
748.27386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.3
58.31614	1.2
59.01266	6.0
67.26289	1.2
71.01250	7.0
71.57472	1.5
72.99186	2.1
73.02818	2.0
75.00752	5.7
76.82654	1.3
83.01271	4.0
85.02825	4.6
87.00745	4.1
89.02291	1.6
99.00743	8.7
100.01550	8.3
101.02321	1.5
107.54885	1.3
111.00766	20.8
113.02380	6.4
113.99479	12.4
115.00254	3.1
128.01062	9.6
131.00052	1.2
156.00551	100.0
157.01025	3.5
174.01619	48.5
175.02306	5.5
188.58711	1.2
319.08447	1.5
379.08591	1.8
397.62366	1.3
405.01050	1.3
432.55823	1.3
571.24237	3.1
685.27112	39.9
686.27417	9.7
687.25116	3.7
747.27271	3.4
764.51947	1.4
824.30646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.7
59.01255	10.1
61.98677	1.1
63.02270	0.9
65.00177	1.0
65.65076	0.8
69.03319	1.0
70.19725	0.8
71.01244	8.8
72.99177	1.4
73.02822	2.0
75.00745	1.4
78.95743	0.9
83.01244	1.6
85.02814	3.3
87.00729	1.8
88.98656	0.9
89.02316	7.3
93.03346	1.4
96.95906	2.0
99.00732	0.9
100.14839	0.8
101.02321	4.8
107.01291	1.2
108.02046	1.6
109.02838	2.9
112.84788	0.8
113.02329	2.9
115.00297	1.2
115.45523	0.8
119.03384	2.1
119.04903	1.2
121.18501	0.8
123.00791	1.3
123.04382	0.9
124.01572	1.2
125.02326	2.6
136.01532	1.8
137.02318	7.5
139.00246	1.9
139.03911	2.1
145.02823	4.0
147.04420	3.8
149.02367	2.0
150.03101	1.6
151.00255	3.7
151.03918	9.0
152.01051	2.0
152.04697	1.7
153.01852	2.4
153.30099	0.9
160.05234	1.1
161.02362	2.3
161.04543	0.8
161.05946	1.5
162.03087	1.5
163.00415	1.1
163.03923	9.7
164.04680	0.9
165.01852	3.7
165.05464	2.3
166.02614	4.1
166.06244	1.2
167.03311	1.2
168.04077	0.8
173.02374	1.3
173.04572	1.0
173.05901	1.0
174.03178	5.5
175.03925	30.6
176.04707	7.8
177.05511	4.8
178.06255	1.7
178.99765	3.0
179.03438	2.3
179.05614	1.1
180.04210	15.8
181.04956	3.7
183.73338	0.8
184.03879	0.9
188.04707	5.8
189.05482	12.1
190.06276	31.3
191.03488	1.4
191.05495	2.5
191.07047	23.0
192.04152	1.7
193.04985	17.5
194.05798	11.6
195.06523	2.1
196.68684	1.0
203.07056	5.7
205.05334	1.2
205.08638	28.0
205.12469	0.9
206.09004	2.3
207.06578	12.8
208.07343	15.7
209.07777	1.3
222.08983	1.9
223.09770	3.2
243.03026	1.4
255.03030	2.5
270.00806	1.0
271.02484	6.6
287.01978	1.4
299.02008	3.2
300.02747	9.3
301.03464	6.1
315.01340	1.3
317.03107	2.0
317.06519	1.1
329.10495	0.9
344.12585	1.4
356.12671	1.0
359.11191	1.8
359.15030	3.6
371.15143	0.9
374.13699	5.8
375.14160	1.7
387.14709	1.6
389.16046	100.0
390.16422	11.4
401.16299	1.2
403.17957	4.7
419.17065	2.0
421.05576	1.1
447.09256	0.9
463.09073	1.7
569.24731	1.1
599.24988	62.0
600.25238	11.3
629.09241	6.7
629.24969	3.0
630.09656	2.7
761.30609	5.2
762.31201	1.2
773.23224	2.7
791.33398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98244	1.6
57.03313	2.0
59.01258	43.1
59.34492	1.6
59.64938	1.7
65.00224	2.2
65.03859	1.9
67.01767	4.5
69.35661	4.9
69.36083	11.7
71.01247	12.2
73.02843	2.5
75.00753	2.4
75.60078	1.4
81.03340	3.3
85.02831	6.8
87.00761	6.1
89.02332	6.6
93.03338	46.4
96.95891	8.3
99.00761	2.6
101.02352	4.0
108.02103	1.9
109.02850	3.5
111.04414	7.4
113.02351	4.3
117.03391	9.3
119.01302	3.0
119.04926	100.0
119.08578	2.1
120.05282	3.9
121.02851	4.3
125.02265	2.0
127.03900	2.0
137.02351	19.8
145.02861	37.9
149.02354	11.9
150.03131	5.8
151.00296	6.4
151.34518	1.8
155.03423	10.0
161.93079	1.7
163.03938	58.7
164.04715	11.3
164.05904	2.3
165.01932	2.3
165.05450	4.4
165.64528	1.7
173.04486	60.6
175.00264	9.1
175.03871	2.2
176.01112	10.6
177.01694	3.1
177.05510	7.5
179.03525	1.9
179.07004	2.8
181.05043	3.8
190.02647	34.5
191.03409	15.2
191.05565	16.8
194.02022	1.8
195.06619	2.3
199.04002	2.0
205.05011	36.9
206.73549	1.8
209.04483	3.6
215.05563	2.0
223.06078	12.7
227.03497	1.9
233.06616	18.6
255.02774	2.1
271.02502	19.5
288.88495	1.6
298.75565	1.8
299.01990	25.1
300.02597	5.4
301.03586	14.4
315.14554	4.6
319.08240	54.9
320.08649	5.0
353.08737	5.3
367.10349	52.2
368.10611	3.3
379.10217	3.8
463.08487	2.0
481.13449	2.6
531.15137	22.1
532.15454	2.6
541.15759	22.5
628.17603	3.2
629.19318	4.7
687.19507	13.7
705.20209	9.4
729.31866	1.8
747.21393	25.9
748.22168	5.2
791.22278	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	791.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	89.5
59.82806	4.1
64.49391	3.4
66.80172	3.8
69.03312	3.7
71.01253	12.8
71.57789	3.5
71.58137	7.0
85.02842	7.9
87.00764	7.0
89.68942	3.5
93.03323	28.1
99.00787	4.6
111.00780	8.0
111.04400	9.5
113.02321	4.1
113.99467	7.2
134.03661	40.2
137.02341	9.7
143.48161	3.7
149.05980	12.0
155.03362	8.7
156.00533	41.2
160.01579	19.9
173.04475	58.8
174.01630	18.2
175.03891	23.3
189.35324	3.5
191.05544	99.7
191.07144	7.7
193.04974	42.0
233.06631	100.0
234.06975	4.2
300.02628	4.6
334.20123	4.3
337.09103	13.0
349.09219	63.9
350.09619	6.0
367.10001	4.8
404.65445	3.8
409.11243	23.9
464.84650	3.8
516.23285	4.2
685.27075	12.4
686.27441	4.8
707.55005	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	789.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75062	6.5
68.95438	6.3
70.14294	37.5
71.01261	13.6
74.98917	7.2
79.95632	17.9
80.96396	98.6
84.67854	6.2
88.85578	7.5
94.97950	26.0
134.97469	8.4
151.53117	6.8
152.98509	11.1
164.98531	21.2
225.00635	14.8
495.63965	8.7
789.44580	100.0
790.44763	23.9
803.62921	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	789.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
57.03315	3.4
57.38866	1.3
58.00463	1.4
59.01256	17.2
61.98703	6.8
69.03332	3.3
71.01261	15.8
71.04902	2.4
71.38006	3.0
73.02839	3.3
75.00774	1.6
78.95832	1.3
79.95608	2.3
80.91576	2.4
83.01259	1.9
83.02396	1.6
83.04915	1.9
85.02832	8.1
87.00765	2.7
89.02333	6.1
95.04893	2.8
96.95863	2.6
97.02838	5.5
97.06480	5.5
97.29851	1.2
99.00764	20.9
99.04352	1.3
101.02332	8.1
105.34925	1.3
109.06495	1.7
111.04415	1.4
112.98721	2.0
113.02321	5.0
115.00208	1.9
123.08067	2.4
125.02380	1.9
125.09637	10.6
134.04625	1.9
135.08047	1.5
142.02631	1.4
151.00218	1.5
153.90332	1.4
161.04501	2.6
163.11195	11.5
171.10162	11.3
174.01639	2.1
181.08649	2.0
181.12270	16.4
183.13829	4.3
185.11826	2.6
197.11774	3.5
199.13312	8.9
201.11296	3.1
207.10219	26.0
209.11815	11.6
211.13405	12.5
225.11275	35.6
226.11623	2.3
227.12924	2.1
229.14453	4.5
239.12868	3.1
241.14410	2.8
243.12392	17.7
251.12712	1.4
253.09366	3.6
271.02673	2.6
299.01984	3.8
300.02798	3.2
302.61282	1.3
307.19186	2.6
309.20901	1.5
315.14310	1.4
325.20425	2.0
327.21790	15.4
461.20480	2.7
479.21463	6.0
483.67429	1.4
485.53778	1.6
537.30865	1.7
571.31189	1.5
699.32770	2.1
763.17767	1.4
789.43054	100.0
790.43079	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	789.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.7
57.03312	5.4
58.00455	1.2
59.01255	27.8
59.43311	1.2
61.98706	6.8
67.01755	1.3
69.03310	1.4
71.01260	40.5
71.57143	1.2
71.57551	1.3
72.99174	7.9
73.02813	7.8
75.00752	26.5
80.91568	5.9
80.96375	3.1
82.95300	1.5
83.01238	4.5
83.02361	2.8
85.02828	35.1
87.00751	7.9
89.02334	13.2
95.01248	5.6
96.95876	6.0
97.02850	2.0
99.00761	12.2
101.02325	9.7
109.02849	1.5
111.00762	4.6
113.02341	26.5
113.27606	1.1
115.00247	2.3
115.03927	1.1
116.79850	1.2
116.92706	1.1
117.01817	2.6
120.49932	1.1
121.10108	3.5
125.02315	2.7
131.03433	3.0
134.03601	1.6
138.01784	1.3
157.01372	1.4
160.65466	1.5
161.04468	3.0
165.09157	1.3
167.10706	2.3
171.10197	8.8
175.02376	4.8
176.02512	1.3
181.08582	1.7
195.06470	1.5
197.11758	1.7
199.13319	2.8
201.11311	2.7
207.10260	1.3
209.11763	9.9
210.11964	1.3
211.13353	5.1
221.90172	1.1
225.00580	1.8
225.11307	3.0
227.12753	1.6
235.08168	1.7
252.10588	1.3
253.09233	3.0
271.02383	1.8
278.15811	1.3
299.01852	2.8
300.02673	2.0
315.14432	4.5
327.21750	3.9
329.15869	2.1
343.21228	2.0
375.27393	2.6
397.13324	1.6
491.21436	2.7
631.94604	1.4
641.32050	1.5
651.21008	1.4
699.31238	2.4
699.81445	4.3
788.82526	1.6
789.35461	100.0
790.35913	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	789.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	1.9
59.01247	12.0
59.79636	1.9
61.98700	2.5
69.03319	2.3
71.01261	8.7
71.34829	2.9
71.35169	2.1
72.99216	2.3
73.02828	2.6
80.04919	4.3
80.94466	1.6
83.04905	3.5
85.02822	3.9
87.00762	1.8
89.02317	5.2
92.04913	1.8
94.06477	2.7
99.00771	2.8
101.02319	6.8
106.06499	7.3
108.04420	4.0
109.05182	1.7
109.06453	1.7
111.00777	2.2
111.04354	1.7
113.02296	2.3
115.00237	1.8
120.04459	3.7
122.06028	15.8
124.07560	15.6
125.02346	1.8
134.05975	2.1
136.03946	4.8
140.07077	2.6
144.04555	2.1
146.06055	2.1
148.02734	1.8
148.03949	34.7
149.04306	1.7
150.05528	9.3
152.07051	3.2
160.03923	3.8
161.04486	2.5
163.11212	1.8
164.03505	3.1
166.04994	8.8
168.06589	9.6
171.10161	5.4
174.01555	1.9
174.05577	1.8
175.03998	1.5
179.05469	1.6
181.12341	1.5
183.13843	10.5
185.11739	3.4
193.12160	2.7
195.13844	2.5
197.11908	2.9
201.11240	4.8
203.03471	3.1
209.11841	13.6
211.13368	87.0
212.13744	3.9
213.14899	22.0
215.11909	2.1
218.28709	2.0
223.08664	2.8
223.13336	3.3
224.09462	3.0
225.10161	1.6
231.11299	3.6
233.08264	1.9
235.08357	6.7
235.12762	2.1
236.09383	4.0
237.10309	11.0
238.10893	2.0
239.11938	2.5
241.09834	4.8
241.14417	43.3
243.11397	4.3
249.10281	6.9
251.08629	4.9
251.11786	24.6
253.09256	10.4
253.14192	5.2
254.10474	2.2
255.11351	6.7
259.13318	3.3
263.08234	9.5
263.58026	1.7
264.09033	51.9
265.09570	6.6
267.11356	3.2
269.09171	2.4
273.12430	24.0
277.09891	8.0
278.10455	4.8
279.11383	100.0
280.11615	8.2
281.09222	4.4
281.12686	1.9
291.13483	6.7
295.10834	4.4
297.12411	9.9
299.02011	2.8
299.10416	1.9
305.09177	10.2
307.10873	2.2
309.20685	2.5
315.09756	1.9
317.11325	5.2
323.10361	37.8
324.10501	3.0
325.12302	4.0
325.20157	6.0
335.12540	9.2
341.11456	22.0
377.81049	1.8
399.25439	2.6
417.26343	6.1
447.22104	2.9
452.18237	4.9
459.22122	2.7
470.19403	2.2
477.23489	10.1
478.23663	1.9
534.15283	4.5
566.17957	8.7
579.22430	7.2
597.23456	5.1
623.21582	16.6
624.21875	2.2
635.33997	5.3
641.22577	49.2
642.22998	13.1
653.35181	8.6
655.23981	3.8
659.23578	69.7
660.24121	13.5
671.36395	3.9
673.25104	32.9
674.25226	6.0
691.26257	71.4
692.26422	14.9
699.35547	2.9
781.37518	1.9
789.42322	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	789.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.1
57.03333	9.4
58.00462	4.3
59.01256	70.1
61.98708	5.1
68.99667	2.1
69.03326	3.2
69.26915	13.2
71.01260	77.6
72.01589	1.1
72.99183	5.3
73.02827	20.9
75.00750	4.0
76.68719	1.2
78.91765	1.1
78.95770	1.6
80.96394	1.8
81.03351	4.0
83.01267	9.8
83.04898	3.0
85.02830	38.3
87.00761	5.3
88.98682	2.5
89.02328	24.2
93.03324	1.7
95.01280	3.4
96.95886	6.9
97.02853	3.4
98.19813	2.0
99.00768	13.2
99.04397	2.0
101.02338	21.1
103.03895	7.9
107.04906	1.1
108.02065	3.5
109.02856	8.4
111.00789	1.6
113.02352	19.5
119.03412	3.7
119.04956	1.4
119.08579	1.2
121.02846	1.9
121.10127	16.4
123.04419	2.8
125.02361	24.5
127.03905	2.0
131.03397	3.7
132.01987	1.3
134.03653	2.2
137.02359	7.8
145.04965	4.7
149.02390	1.6
150.03151	2.7
151.03889	3.0
152.01076	2.0
153.01846	21.9
160.01616	2.2
161.02415	5.8
161.04494	7.9
163.03903	2.6
163.06000	2.2
165.01877	5.9
165.05522	3.2
165.09183	6.3
166.02596	1.4
167.10738	1.3
168.04214	29.2
174.01648	1.4
175.00443	1.3
175.02458	1.8
175.03946	5.6
177.01797	1.1
178.99911	1.3
179.03368	1.5
181.04941	1.2
183.06586	22.5
187.04008	1.6
190.02690	2.7
191.05501	2.2
193.05017	2.3
195.06558	4.0
203.07002	1.8
205.04982	3.6
205.07037	1.9
209.11725	2.3
211.13342	3.9
245.08362	1.6
253.13890	1.2
255.03059	1.6
267.07245	16.3
289.07144	4.7
299.02176	1.4
301.03513	1.7
315.14523	40.2
329.16071	100.0
330.16382	5.2
335.06213	1.8
337.16641	8.3
345.11859	2.8
359.13638	2.2
401.12445	2.3
407.07657	2.9
477.16171	63.9
478.16367	6.3
491.17654	18.8
492.18616	1.5
499.19818	5.4
535.18774	1.4
619.21893	5.8
637.22717	1.9
789.31250	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	789.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.0
57.03336	1.0
58.00462	0.9
59.01254	15.0
61.98701	3.5
69.50111	5.3
69.87563	0.8
71.01263	15.8
72.99181	1.9
73.02832	3.2
75.00755	1.8
81.03368	0.8
83.01276	1.6
84.02026	1.0
85.02827	6.3
85.70393	0.8
87.00736	1.3
88.98689	2.0
89.02321	9.6
93.03338	1.0
95.01268	1.6
96.95902	3.1
99.00783	2.2
101.02333	6.3
103.03899	1.1
108.02073	2.5
109.02834	5.6
111.00768	0.9
113.02368	3.7
119.03395	1.7
119.04900	0.7
121.02851	2.0
121.10135	1.9
123.00769	4.4
123.04393	1.4
124.01610	1.4
125.02340	4.4
134.03680	1.5
137.02376	11.5
138.03119	1.0
139.00316	1.2
139.03899	2.3
142.52339	0.7
145.02870	2.4
147.04559	0.8
149.02371	3.2
149.04425	1.1
149.06003	0.8
150.03165	1.5
151.00282	23.4
151.03920	2.1
152.01109	5.8
152.04816	1.6
153.01830	2.6
159.04517	0.8
160.01591	1.2
161.02377	1.1
161.04469	1.0
163.03986	1.3
163.07613	0.7
164.04659	1.2
165.01820	2.0
165.05518	1.3
165.09058	1.1
166.02641	73.6
167.03398	4.8
171.10231	0.9
174.01607	1.0
174.03003	1.0
175.00224	1.0
175.02550	1.5
175.03954	4.1
175.07610	1.0
176.01024	0.9
176.04715	1.1
177.01894	3.8
177.05527	1.5
178.02554	0.8
178.99763	1.7
181.05002	87.2
182.05383	1.7
187.03928	1.1
188.04767	0.7
190.02675	2.2
190.06245	1.6
191.03482	3.7
191.05367	0.7
191.07245	0.9
192.04298	1.2
193.05048	1.6
195.02917	0.8
203.03459	0.9
203.07124	1.0
205.05077	5.1
205.08707	1.2
206.05728	3.0
207.06570	1.3
209.11819	2.4
211.13356	3.3
219.06596	1.5
219.72057	0.8
220.07404	2.3
221.08162	4.6
223.06206	1.0
235.09801	0.9
236.68076	0.8
241.14435	0.8
267.07346	1.6
283.85849	0.8
307.55383	0.7
315.07251	1.0
315.14606	8.9
316.14981	1.0
327.04785	0.9
327.49619	0.8
329.16034	11.0
339.08804	1.9
341.10205	1.0
354.11099	0.8
357.09781	1.2
359.11447	1.4
372.12115	6.0
382.78726	1.0
387.10672	11.7
387.14575	24.8
388.10965	1.6
388.15320	1.6
399.14685	1.6
401.16446	1.8
402.13138	10.9
403.13611	1.7
417.15567	100.0
418.15884	9.6
495.46558	1.0
597.23553	9.3
598.24152	1.0
599.30933	0.9
609.23309	1.5
627.24445	37.3
628.24854	4.6
656.24219	1.1
657.24457	1.0
789.25714	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	789.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.0
57.03325	2.8
59.01255	12.7
68.56451	1.1
69.03306	2.1
69.56375	8.2
71.01252	19.5
72.99192	1.8
73.02819	7.3
75.00723	1.9
80.96398	1.4
81.03336	2.9
83.01267	3.0
85.02824	14.6
87.00757	2.5
89.02316	3.5
93.03338	3.4
95.01276	5.5
96.95891	2.3
98.19891	2.0
99.00780	3.0
101.02324	10.9
107.04949	1.1
108.02055	95.0
109.02858	47.2
110.03127	1.2
112.28358	1.0
113.02344	7.5
115.00280	1.1
115.02278	1.0
119.03445	1.2
119.04902	2.5
121.02871	1.5
123.00751	5.2
123.04425	5.0
124.01569	3.9
125.02340	7.7
131.03355	1.7
134.03618	1.8
135.00722	1.8
135.04410	1.9
136.09451	1.1
137.02327	5.0
147.60478	1.1
149.02377	1.3
149.99486	5.9
150.03145	1.2
151.00298	1.1
151.03925	2.2
152.01060	100.0
153.01842	35.1
153.05411	1.1
156.00542	0.9
158.49060	1.0
160.01581	1.5
161.04475	4.0
163.03931	3.6
165.01889	1.4
165.05544	1.8
167.03375	8.1
168.00578	7.6
169.01315	2.9
175.03911	2.0
179.03371	0.9
179.67363	1.2
181.04959	1.0
191.03458	1.5
193.05127	1.8
195.06602	1.2
197.04431	1.1
211.41505	1.1
243.25909	1.1
271.02405	1.6
281.06757	1.6
299.01953	2.4
300.02658	1.2
301.03433	1.8
315.07272	1.8
392.82010	1.1
465.17776	8.3
789.28510	86.4
790.28735	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	787.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	11.6
61.98690	9.5
71.01261	10.8
71.15816	3.3
72.99165	2.3
73.02798	2.1
75.00755	2.4
78.95793	4.6
83.04910	7.8
85.02830	2.4
87.00764	6.1
89.02328	6.8
91.28330	1.5
95.04891	2.0
96.95896	5.5
96.96876	1.9
97.06484	1.6
101.02330	4.6
113.02341	3.3
119.03413	2.0
120.45572	1.7
121.88242	1.6
151.00298	1.8
152.99544	2.3
161.04495	1.8
163.11229	5.6
165.12718	5.0
171.10182	4.8
172.44322	1.6
181.12335	2.1
183.13852	2.4
185.11723	2.9
197.11804	2.1
201.11328	3.7
209.11781	100.0
210.12082	3.8
211.13292	4.6
222.68964	2.0
227.12869	15.2
235.08232	3.6
241.14647	1.8
247.20636	2.7
253.09274	10.7
271.02463	3.5
291.19666	19.9
300.02707	5.9
309.20734	48.1
310.21158	4.1
323.22263	2.1
511.17319	1.9
527.28644	2.5
545.29852	6.9
737.41162	2.5
787.40979	10.6
808.22064	2.0
808.46039	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	787.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	15.9
61.56564	2.0
61.98704	8.4
69.03328	2.0
71.01264	21.6
81.03343	3.7
83.04915	3.8
87.00742	4.2
89.02326	6.8
93.56493	2.0
94.92410	2.2
97.02845	6.5
97.06502	1.8
99.00755	2.6
101.02343	4.3
104.71107	2.2
113.02313	4.3
125.02363	2.2
125.09624	4.4
137.09532	2.4
161.04457	2.8
163.11180	5.2
165.12747	8.1
169.12256	19.9
171.10187	22.8
183.13792	3.1
193.12367	2.7
195.59572	2.4
197.11772	12.8
201.11308	5.8
209.11777	100.0
210.12018	5.6
211.13358	9.3
211.45253	2.4
225.11249	5.2
227.12868	15.3
229.55179	2.8
235.08128	5.1
253.09319	13.9
291.19669	25.3
299.02094	2.8
300.02881	3.3
307.19232	4.5
309.20737	59.6
310.21045	5.1
472.85709	3.2
704.88800	2.3
725.72693	2.4
769.39862	3.4
771.14203	2.5
787.40869	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	788.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.0
59.01248	1.6
63.02268	2.1
65.00198	3.0
66.29510	0.6
71.01249	2.0
73.02827	0.7
79.77477	0.7
83.01269	3.9
85.02802	1.3
89.02317	1.2
89.96622	0.6
93.03323	0.9
98.65224	0.6
100.69939	0.7
101.02344	0.6
107.01257	6.3
108.02078	7.9
109.02840	10.8
111.00743	0.9
121.02850	1.9
125.02312	5.2
133.02856	2.2
135.00768	1.0
148.01544	1.7
149.02304	1.4
151.00264	14.7
152.01074	9.8
153.00658	0.9
153.01849	15.5
158.02353	1.0
160.03984	2.3
161.02351	4.4
163.00325	1.1
163.03859	0.8
169.01334	3.6
171.04446	0.8
175.03911	1.5
176.01109	1.2
177.01840	1.6
178.99763	8.5
185.06073	0.8
186.01898	10.2
187.00282	0.8
199.02522	1.1
203.03506	1.1
208.03947	0.8
211.02509	1.1
212.03450	13.2
212.05347	1.0
213.05550	0.9
214.01401	100.0
215.01768	3.7
215.03574	0.9
216.04141	1.1
217.04977	1.0
226.04996	1.1
227.03378	1.9
229.05017	0.9
234.05641	1.2
236.03490	5.5
238.01360	2.5
240.04362	0.9
241.04936	1.4
243.02919	5.5
245.04466	1.7
250.05072	1.5
254.04488	5.4
255.02921	8.3
255.05020	0.7
256.03622	1.1
257.04474	2.2
267.03027	1.3
269.04584	1.8
271.02478	16.1
272.03000	2.5
278.04636	3.2
285.04034	24.8
286.04440	1.9
294.04160	2.7
295.02493	2.0
297.06174	3.2
299.01917	1.2
300.02750	52.2
301.03427	19.2
302.03757	1.2
313.03488	5.6
315.07263	2.0
322.03555	42.6
323.03995	3.2
339.07245	0.9
340.04596	54.2
341.05017	5.8
369.62234	0.7
407.09882	4.0
433.07898	1.5
447.09283	33.9
448.09653	4.8
451.08795	13.8
471.47205	0.8
613.13873	2.1
702.19879	0.9
788.30219	0.9
789.19025	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	787.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.3
59.01257	18.6
61.98697	6.2
65.94417	1.8
69.03329	4.1
69.06982	1.9
69.48997	12.4
69.49408	3.4
71.01261	17.4
71.04891	5.6
71.93490	1.7
72.99191	2.0
73.02794	2.4
75.00728	2.1
78.95794	3.0
83.01271	3.2
83.04891	6.1
85.02822	7.9
87.00751	2.5
89.02308	8.2
95.04913	3.4
96.95885	6.1
97.02810	7.7
97.06458	7.4
99.00764	29.7
101.02323	12.8
109.02886	2.2
109.06452	5.5
113.02328	6.0
115.00266	2.5
121.02807	2.3
123.08070	5.5
125.09627	13.4
127.07576	2.8
134.04645	2.8
135.47832	1.9
137.02364	2.1
161.04424	3.3
163.11212	20.1
165.12793	3.2
171.10233	16.6
181.12271	21.8
183.13748	3.0
185.11765	5.6
193.12213	1.8
197.11781	11.6
199.13280	15.5
201.11169	3.4
207.10191	36.6
208.10461	2.4
209.11766	57.2
210.12144	2.5
211.13370	15.7
225.11284	58.9
227.12885	3.6
235.08160	2.6
239.12773	1.9
241.14397	4.1
243.12361	28.3
245.19051	3.0
251.12846	2.4
253.09363	10.7
255.02809	3.4
268.53064	2.2
271.02469	4.1
289.18079	3.9
299.01968	2.7
300.02933	2.9
301.03525	3.3
307.19199	13.5
325.20126	5.6
327.21786	6.0
341.23349	14.3
399.29279	2.2
410.95364	2.4
461.20444	4.2
479.21329	14.1
543.28259	4.4
577.12042	3.6
597.78473	1.9
769.40314	18.6
770.40942	3.8
787.41217	100.0
788.41321	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.4
57.03317	2.8
58.47652	0.8
59.01252	20.3
62.03220	0.7
65.00159	0.9
66.92649	0.8
67.01749	0.8
68.99676	1.7
69.03333	1.0
71.01258	20.8
72.99184	7.1
73.02814	2.2
75.00753	14.6
83.01236	2.6
83.26448	0.8
85.02832	16.5
87.00753	6.5
89.02303	5.7
95.01254	4.2
96.95934	1.2
98.19832	1.8
99.00740	7.9
101.02327	3.2
109.02895	0.8
111.00735	1.5
112.01641	0.8
113.01610	1.2
113.02332	13.2
115.00244	2.3
117.01822	2.2
119.03359	0.9
126.22315	1.0
126.80254	0.8
129.01897	1.6
134.03616	0.8
134.52806	0.8
142.16420	0.7
149.02423	1.1
150.03123	1.1
151.00261	2.4
152.03389	1.5
157.12259	0.9
160.01518	0.8
161.02341	0.9
165.05441	1.0
175.02423	1.9
175.03888	1.2
177.01904	1.1
193.04964	1.8
224.12830	0.7
239.01115	0.8
249.06146	4.8
255.02965	1.8
256.03183	0.9
271.02438	1.5
283.02356	1.1
284.02917	1.2
285.04034	8.4
286.04337	5.1
287.04733	2.2
299.01944	2.1
300.02530	1.8
301.03461	3.0
302.03809	1.2
357.26529	4.2
359.23999	0.7
369.13855	0.8
375.27499	12.3
376.27469	1.0
444.30020	0.8
449.09995	1.1
517.99646	1.0
519.32062	2.4
537.32800	20.2
538.33002	2.3
611.64648	0.8
624.13904	0.9
625.14484	3.5
641.14099	1.7
787.39722	100.0
788.40167	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	787.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.0
59.01251	10.9
61.98708	3.2
65.10187	1.8
71.01262	10.9
75.00758	3.3
78.95822	2.1
81.65086	1.9
83.04868	1.8
84.72851	2.1
85.02834	3.9
87.00769	2.5
89.02310	3.9
92.04967	2.1
94.97971	9.1
96.95901	7.7
99.00790	4.0
101.02373	5.3
106.06522	5.4
108.04418	4.0
109.00172	2.1
109.06479	2.3
113.02376	2.6
115.00245	2.8
116.92728	2.2
122.05964	3.2
124.07605	4.5
134.04611	4.4
136.03900	2.7
148.03949	10.1
160.03978	12.8
166.05006	4.7
171.10193	8.2
174.01735	2.6
183.13788	3.3
189.04205	2.4
197.11769	3.4
199.13248	2.3
201.11215	4.3
207.10208	4.0
209.11775	12.7
211.13368	13.3
225.11264	6.8
227.12897	2.9
229.30733	2.3
235.08264	2.6
239.08200	2.8
243.12263	2.8
249.10484	2.6
251.08232	7.1
251.12096	2.3
252.09041	12.5
253.09734	20.3
265.09796	5.4
267.11398	9.8
271.02533	8.5
273.12476	6.3
277.09885	4.2
278.06934	5.2
279.07776	22.6
280.08386	3.7
291.13708	2.7
292.30255	2.4
293.09399	15.3
295.10901	36.3
296.11398	2.7
299.01852	2.4
300.02875	9.7
301.03467	3.4
321.08835	97.0
322.09286	7.0
335.12494	13.7
339.09879	100.0
340.10318	6.8
341.23322	2.6
403.56512	2.6
410.71835	2.4
532.13544	3.4
593.53174	2.6
597.86896	2.2
639.21008	17.2
640.21582	4.3
657.22058	87.4
658.22235	15.1
689.24341	16.4
690.25238	2.9
706.59210	2.4
769.40039	4.1
787.43127	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	787.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.0
62.59634	3.4
71.01250	14.8
71.56411	5.5
75.00734	11.0
85.02850	17.3
87.00787	4.6
95.01240	3.9
99.00754	7.2
101.02379	4.6
101.11132	3.3
113.02317	14.7
115.00247	3.4
142.49773	3.2
189.34512	3.5
418.40314	3.7
432.54160	4.3
445.13519	100.0
446.13754	6.4
540.72565	4.0
744.22113	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	787.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.8
63.02286	2.7
65.00195	10.4
66.78284	2.7
68.05024	2.4
71.01257	17.1
71.57517	3.5
73.00022	2.5
73.02831	3.3
75.00726	4.3
83.01262	7.3
83.04897	3.0
84.27374	2.4
85.02833	16.3
87.00760	5.0
89.02325	8.3
93.03333	4.6
95.01266	5.6
99.00771	4.9
101.02325	6.0
106.00436	3.1
107.01270	11.0
108.02048	5.8
109.02850	12.6
109.99981	3.1
111.00758	7.3
113.02322	9.4
115.00231	3.0
119.04908	6.4
123.00768	8.0
124.01656	4.5
125.02399	3.5
127.03933	6.6
128.03455	2.9
133.02899	4.5
135.00829	2.7
137.02322	5.9
139.00293	11.4
143.03462	2.7
143.04637	5.6
145.02881	6.4
145.04996	8.6
145.82018	3.2
149.02336	5.8
149.74924	2.5
151.00290	30.4
152.01042	13.6
153.01900	6.8
153.98880	2.7
154.99838	5.8
159.04413	7.4
161.02354	6.8
163.00302	5.7
163.03862	4.7
164.98117	3.3
165.98955	4.9
166.99785	7.6
169.01311	6.4
171.04425	5.2
173.71919	2.4
175.02458	3.3
175.03922	9.9
177.01854	4.6
177.98962	4.5
178.99783	28.2
179.05557	6.4
187.03929	10.8
191.05539	62.7
193.01361	5.1
194.99277	5.4
199.03964	7.3
201.01891	3.6
202.02707	3.7
203.03447	12.8
209.00961	4.5
214.35722	2.7
215.03455	12.1
217.01233	3.2
222.98811	3.8
227.03574	4.8
229.01433	5.4
231.02968	9.3
232.03648	5.5
241.01384	4.5
242.02171	8.2
243.02960	21.0
245.00822	4.6
245.04579	3.7
255.02986	7.1
257.00797	3.7
258.01675	7.9
259.02466	15.9
260.03107	4.9
269.00903	3.5
270.01703	4.8
271.02475	46.4
272.03055	5.4
286.01160	8.2
287.01962	52.5
288.02698	12.2
297.00314	8.2
299.01996	22.4
300.02631	12.2
301.03403	8.2
306.07614	7.4
314.00729	7.3
315.01498	100.0
315.14468	4.3
316.02179	33.4
316.14746	5.1
317.02975	22.3
332.01709	11.5
337.09180	15.0
367.12360	6.7
437.60257	2.7
449.16595	9.9
479.08206	15.0
511.65643	3.0
619.26587	3.0
625.14001	20.1
647.18427	3.3
741.18530	4.7
743.20703	4.6
769.18219	8.7
787.19275	34.5
788.19861	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	787.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28624	1.2
57.03316	1.9
59.01261	13.2
61.98703	7.2
63.02279	1.7
65.00204	5.4
67.01765	1.2
71.01255	8.9
72.99184	2.4
73.02834	2.0
75.00746	4.5
78.95810	2.0
78.98479	1.9
79.95636	2.8
80.96405	13.3
83.01269	4.2
85.02832	5.0
87.00761	2.6
88.98732	1.4
89.02312	2.9
92.09803	1.4
93.03353	2.5
94.98012	2.4
96.95898	3.1
96.96842	1.5
99.00789	2.1
101.02283	2.5
107.01270	10.1
108.02109	1.4
109.02859	1.9
113.02342	5.1
119.04850	2.1
121.02866	5.4
125.02338	3.5
133.02808	1.4
134.03612	1.3
135.02908	2.9
135.04416	1.5
136.01566	3.5
137.02324	2.1
145.02878	2.6
147.04431	1.3
149.02362	5.9
149.99510	1.3
150.03143	19.4
151.00305	27.6
151.03908	3.8
152.01056	2.0
155.04927	2.5
161.02386	3.0
161.06046	1.6
163.03967	2.1
164.04817	1.6
164.98610	2.5
165.01781	1.9
165.05487	21.6
166.02623	2.6
169.01369	3.1
171.04427	3.1
174.88443	1.2
175.03906	3.4
177.05510	1.8
178.99814	10.4
180.04289	1.9
181.05008	2.6
183.04424	3.4
186.03242	2.0
187.03940	2.4
190.02620	1.3
193.04987	1.9
195.06537	17.4
199.03947	9.0
201.01688	1.2
205.05022	2.1
209.11809	2.2
211.04015	1.5
213.02039	1.4
214.02676	3.8
215.03494	3.8
225.00813	2.4
226.02705	1.4
227.03522	8.3
229.81381	1.3
241.01401	13.0
242.02164	6.3
243.02940	22.5
245.00905	6.2
255.02995	19.7
256.03387	1.8
267.12064	1.6
270.01694	22.7
271.02466	52.2
272.02991	4.6
285.04199	1.8
297.04056	1.8
298.01086	9.1
299.01981	100.0
300.02719	52.0
301.03464	28.6
302.03848	1.5
313.03619	2.3
327.12036	1.3
351.36517	1.3
387.14310	5.9
433.07748	4.8
446.06387	1.8
461.08578	9.4
473.36948	1.9
479.10199	1.5
501.24191	1.6
505.08276	2.0
508.10208	1.7
577.12000	67.7
578.12567	26.4
579.13538	16.9
580.14313	2.5
583.21790	3.2
607.14441	2.2
647.49182	1.3
647.61438	1.6
742.36255	3.3
743.36652	3.8
757.20441	2.1
769.19910	2.0
787.20465	3.0
787.34314	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	785.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.8
57.03316	2.3
58.00452	2.3
59.01254	43.8
69.03343	3.8
69.28677	7.7
71.01259	31.8
71.04865	0.7
72.99184	2.7
73.02835	3.9
75.00726	0.6
81.03320	2.0
83.01266	4.2
83.04881	1.2
85.02821	8.4
87.00754	9.6
89.02322	23.5
91.05290	0.6
91.75906	0.6
93.06930	0.8
95.01262	2.4
95.04889	1.1
97.02843	3.9
97.06459	1.6
99.00750	1.3
101.02327	18.0
109.06480	1.7
111.00700	0.7
111.04415	1.0
111.08059	1.5
113.02327	11.4
119.03414	5.5
119.26568	0.6
120.01186	0.6
121.06506	1.0
125.02334	7.3
131.03378	1.2
135.08089	1.4
137.09612	2.3
141.01796	0.8
143.03424	2.6
146.57079	0.7
149.04372	0.9
160.74782	0.7
161.04471	3.1
171.10228	0.7
179.05511	10.0
203.14284	1.3
209.11757	1.6
211.13425	1.7
213.14932	2.1
221.06590	4.1
231.17502	1.7
233.18983	0.8
235.08189	2.9
237.15018	1.2
237.18597	1.0
239.16478	1.9
241.18073	2.3
247.13313	1.5
247.17131	0.8
251.16495	0.8
253.09248	1.0
263.07715	1.9
265.18066	1.0
267.19626	1.5
275.16556	2.5
293.21283	0.9
313.25485	0.7
315.26804	2.7
317.28445	1.1
325.25360	7.2
333.27869	1.1
341.24814	4.6
343.26248	6.0
351.23352	2.7
359.26025	5.5
361.27460	3.0
369.24310	9.1
370.24545	1.1
377.26999	2.3
387.25439	22.8
388.25687	3.1
397.13474	14.3
405.26465	47.3
406.26868	5.1
479.30045	2.1
605.32745	0.8
623.34131	1.2
628.03772	0.8
631.88434	0.8
641.35504	1.4
705.76953	0.9
757.40149	1.8
767.38824	1.0
785.39703	100.0
786.40063	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	785.397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
57.03319	3.7
58.00460	2.6
59.01254	43.6
61.98695	2.8
68.99706	0.9
69.03320	2.2
70.63263	0.8
70.63614	2.5
71.01254	37.6
72.99191	4.4
73.02821	5.3
75.00731	1.9
77.08274	0.7
81.03334	2.6
83.01295	4.5
83.04895	3.5
85.02822	11.5
87.00753	8.5
89.02324	33.2
93.03382	0.9
95.01267	1.8
97.02834	4.9
97.06470	1.5
99.00747	2.2
101.01692	1.5
101.02328	21.2
107.04951	1.1
109.02765	0.8
109.06477	1.8
111.00771	1.3
111.08027	1.6
113.02337	13.2
119.03419	5.6
121.02872	1.2
122.18916	0.8
125.02349	7.6
125.09658	0.8
131.03444	0.9
135.08038	1.0
135.80048	0.7
137.09616	2.5
141.01770	1.0
142.99747	0.9
143.03398	2.5
149.04413	0.9
161.04504	3.6
163.11160	0.8
167.10544	0.8
169.12271	2.8
171.10175	2.5
174.01758	0.8
179.05557	12.4
183.13953	0.9
185.11781	1.0
197.11702	3.3
200.52048	0.7
203.14340	1.1
205.15964	0.9
209.11801	3.4
211.13333	2.7
213.14931	2.6
221.06682	4.2
223.54694	0.7
225.14932	1.6
231.17525	2.1
235.08235	4.1
237.14764	0.9
239.16579	2.2
241.18147	1.5
245.18961	1.0
247.13342	1.5
249.14780	1.0
253.09258	2.2
263.07593	2.1
265.18027	1.6
267.19736	0.9
275.16571	1.2
277.17953	1.6
279.19415	0.8
289.18231	1.0
293.21164	2.3
305.08713	0.8
307.19336	1.0
313.25452	1.1
315.27032	2.8
315.63156	0.8
317.28348	1.7
325.25357	6.9
333.27878	1.2
341.25012	3.8
341.28323	0.8
343.26483	6.3
344.26559	1.3
351.23175	1.9
359.25873	7.8
361.27457	2.6
369.24417	8.8
370.24518	1.5
377.26993	1.1
387.25409	23.3
388.25775	3.0
397.13531	14.5
398.13693	1.1
405.26480	51.7
406.26801	5.3
458.98648	0.9
479.30203	1.8
590.11157	0.9
623.34302	1.2
753.40588	3.8
757.39429	1.2
767.39038	1.2
785.39685	100.0
786.39893	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	785.382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.1
57.03313	2.7
58.00474	1.1
59.01253	22.0
67.01756	1.1
68.99702	1.4
69.03339	0.9
71.01260	22.2
71.37841	1.4
72.99189	7.0
73.02821	3.7
75.00745	18.0
83.01277	2.3
85.02828	17.4
87.00746	5.8
88.98717	0.7
89.02299	5.2
94.65133	0.7
95.01253	3.7
96.95880	0.9
99.00765	9.1
101.02320	4.7
103.00247	1.2
109.02850	0.7
111.00744	1.2
113.02338	15.8
115.00256	2.4
117.01822	1.8
119.03382	1.3
119.04932	1.8
123.55471	0.7
128.69670	0.7
129.01831	1.3
131.03406	0.8
135.04356	1.4
139.00327	0.8
141.77768	0.7
157.12234	1.0
160.01518	0.8
163.06081	0.8
173.66946	0.8
174.41611	0.7
175.02449	2.0
175.03926	1.3
179.03308	0.8
185.11710	1.8
193.05016	0.7
215.12830	5.0
249.06085	5.4
267.07300	1.1
300.02621	1.3
301.03436	0.8
312.54108	0.8
315.14508	1.1
343.24933	4.4
355.24945	8.3
357.26389	2.3
373.25946	11.9
374.26447	1.5
383.66351	0.7
453.64957	0.7
517.30109	2.4
534.63812	0.8
535.31256	14.0
536.31561	1.7
741.39148	9.2
742.38818	1.5
767.37140	1.5
785.38135	100.0
786.38452	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	785.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.3
57.03320	3.4
58.00463	1.2
58.48515	0.6
59.01256	33.7
60.39391	0.6
61.98702	1.3
67.01765	1.0
68.99690	1.8
69.03338	1.4
69.28165	3.5
69.28586	3.3
71.01255	25.3
72.99183	7.9
73.02815	3.1
73.12218	0.6
75.00751	17.2
78.95777	1.4
81.03329	0.8
83.01250	1.8
83.04897	0.6
85.02826	20.6
85.99981	1.1
87.00756	7.8
89.02328	6.3
91.18145	0.7
91.80328	0.6
93.03317	0.7
95.01276	5.4
95.94491	0.7
96.95908	0.9
96.99177	0.8
97.02831	1.8
98.20499	1.4
99.00766	10.2
99.04388	0.9
101.02325	5.1
103.00240	2.1
103.03873	0.6
109.02840	1.0
111.00786	1.1
112.01534	0.8
113.02333	19.0
115.00271	3.1
116.90251	0.8
117.01809	1.7
119.04919	1.7
121.02901	0.7
125.02356	3.0
129.01843	2.1
131.03413	0.7
134.03636	0.6
137.02341	0.8
141.12692	0.7
143.03395	1.1
151.03952	0.8
157.01305	0.8
161.02429	0.7
163.03947	1.1
165.09172	0.9
167.10724	0.7
175.02377	2.5
182.97920	0.7
185.11769	0.6
205.07027	1.4
249.06113	7.6
267.07089	1.0
269.21158	3.2
287.22281	17.9
288.22495	1.3
300.02588	0.8
329.23337	0.9
408.60379	0.9
431.26410	7.6
449.27588	19.5
450.27707	1.8
491.28949	3.7
605.33838	1.2
699.34363	1.3
723.34674	2.2
741.35529	100.0
742.35846	15.2
785.36530	5.8
785.82709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03326	4.2
58.00451	0.9
59.01254	21.7
60.05699	0.7
65.00206	1.1
69.03333	0.9
71.01258	19.1
72.99184	8.2
73.02825	5.8
75.00751	12.4
83.01240	2.3
85.02821	16.6
87.00755	6.3
89.02325	6.2
89.73287	0.7
93.03310	1.3
94.98755	0.8
95.01250	3.5
96.95869	1.1
97.02871	1.1
99.00758	8.7
101.02323	5.0
103.00230	1.9
107.01272	1.2
109.02883	1.2
111.00777	1.3
113.02332	15.7
115.00267	1.3
117.01796	2.4
119.03397	1.5
119.04946	4.3
121.02774	1.5
125.02341	1.3
125.09590	1.5
129.01852	0.9
132.02017	0.9
134.03664	2.2
135.04399	1.8
137.02341	1.9
149.05930	1.2
151.00313	7.1
152.01167	0.9
160.01553	1.6
161.02371	1.5
163.03908	2.3
163.06055	1.1
169.01326	1.0
171.10173	3.6
173.22057	0.9
175.02402	2.0
175.03847	1.2
178.99780	2.8
179.03436	2.6
185.11751	1.1
191.05461	0.9
193.05002	3.9
249.06149	5.5
252.41818	0.8
255.02876	2.7
258.08865	1.0
267.07269	0.9
271.02496	7.1
284.03070	1.2
285.04031	4.7
285.20746	1.5
299.02066	4.4
300.02731	8.3
301.03503	13.4
302.03827	1.2
355.24957	4.1
373.25909	10.5
447.09167	11.9
463.08850	1.0
517.30127	2.0
519.31287	0.8
535.31287	20.2
536.31696	1.3
623.14111	2.5
636.15570	0.9
639.13605	5.2
651.88629	0.8
756.67822	1.1
785.38147	100.0
786.18939	0.9
786.23804	1.5
786.38458	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	785.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.03318	3.0
59.01255	21.7
63.02287	2.4
63.10416	0.7
65.00188	3.6
69.79762	4.6
71.01260	19.1
72.99187	4.6
73.02817	3.2
75.00751	10.7
77.54062	1.0
78.95782	1.2
83.01285	4.3
83.04861	1.1
85.02827	14.1
87.00753	4.7
87.56516	0.9
89.02333	6.1
93.03355	1.5
95.01262	1.4
96.95889	2.2
99.00768	5.9
99.04386	1.3
101.02335	4.8
103.00222	1.4
106.69797	1.0
107.01270	8.1
108.02089	0.9
109.02845	4.1
111.00862	0.9
113.02327	9.9
115.00288	1.6
117.01864	1.2
119.03504	1.0
119.04948	7.3
119.78536	0.8
121.02850	8.0
124.01582	0.9
125.02322	1.4
128.03430	0.9
134.03630	5.3
135.00786	1.3
135.04437	1.2
137.02327	1.8
145.02824	1.3
147.43282	0.9
148.01521	0.9
149.02348	1.6
149.05963	1.0
151.00284	27.6
152.00861	1.4
153.01857	1.5
160.01575	3.8
161.02214	1.2
163.00259	2.7
163.03918	3.0
164.04776	1.0
165.01852	1.2
167.03363	1.0
169.01387	2.6
175.02583	1.2
175.03947	3.7
178.02609	1.2
178.99794	13.7
179.03343	1.1
185.99739	1.0
193.01326	1.0
193.05016	4.2
198.18968	0.9
200.49832	1.0
201.05658	1.4
211.04004	1.8
243.02927	5.1
245.04539	2.0
249.06125	1.5
254.02254	1.6
255.02969	19.0
256.03613	1.0
267.07132	1.3
269.21210	1.2
271.02490	34.3
271.05490	1.7
272.02945	3.2
273.04022	2.7
283.02481	1.9
287.22208	2.8
298.35355	0.9
299.01981	3.9
300.02734	61.0
301.03525	80.6
302.03851	5.4
315.04990	1.3
355.24872	1.1
447.09326	100.0
448.09714	10.5
449.27563	3.2
496.46140	1.0
514.85669	1.0
605.33472	5.1
639.13623	12.1
640.13965	1.7
740.38300	2.7
741.36365	22.4
768.40063	1.0
784.37073	2.5
785.38678	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	785.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85182	0.2
59.01248	0.6
61.98698	0.6
62.31684	0.2
67.60648	0.3
69.96952	1.3
71.01266	0.5
75.00758	0.5
77.03815	0.3
78.95779	0.3
85.02831	0.4
87.00760	0.2
91.01797	0.5
95.01276	0.4
96.65708	0.2
108.90086	0.3
113.02367	0.3
120.02046	0.6
121.02851	100.0
122.03156	3.2
126.31377	0.2
132.66222	0.2
133.78244	0.2
136.01567	0.9
165.01839	2.7
171.10179	0.4
180.05740	0.6
181.06537	1.8
191.03406	2.2
191.93114	0.3
193.86150	0.2
197.11777	0.9
209.04506	68.6
209.11801	0.8
210.04848	3.5
211.13513	0.3
225.05576	2.2
226.05836	0.3
279.06213	0.3
283.02609	0.3
291.19604	0.7
298.56400	0.3
301.03238	0.3
313.03894	0.4
313.07230	4.7
314.07654	0.6
316.67773	0.2
357.06168	1.8
401.08759	10.5
402.09048	1.5
488.18649	0.3
549.10547	0.5
653.28778	0.4
686.34473	0.3
741.14935	0.5
753.41168	0.3
785.16779	0.8
785.41156	0.5
786.18573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44674	1.1
55.86226	1.2
63.02292	2.0
65.00201	5.4
67.57241	1.0
69.57768	8.1
81.98810	1.2
83.01241	1.8
107.01290	8.9
108.56631	1.2
109.02920	1.9
119.19565	1.2
121.02885	2.9
125.02297	1.2
133.02867	1.6
144.59549	1.3
151.00278	31.2
160.01581	3.5
161.02316	3.3
163.00314	1.7
164.01094	1.3
165.01869	1.5
171.04341	1.3
175.00282	3.5
175.03922	4.2
178.99783	7.5
187.03931	1.4
193.04996	1.5
196.58562	1.2
199.03888	3.2
200.16057	1.3
214.86870	1.2
215.03445	1.2
227.03412	5.0
243.03029	5.6
254.02240	1.8
255.02919	2.5
271.02472	54.9
272.02933	4.9
283.02631	1.4
285.03922	1.6
289.68677	1.2
299.01971	100.0
300.02692	39.7
301.03503	88.4
302.03885	6.5
313.03482	1.4
315.05139	12.5
323.07870	5.5
327.75430	1.3
424.75839	1.3
447.09338	11.3
471.09680	1.3
517.09869	3.7
638.12805	8.0
639.13568	57.3
640.13977	9.7
785.19287	36.5
786.19916	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	783.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.8
56.00735	1.1
57.03339	6.6
58.87300	1.1
59.01256	39.4
65.16721	1.2
67.01753	1.2
68.99696	1.3
69.03327	2.3
71.01258	28.0
72.99165	7.3
73.02831	5.5
75.00750	29.1
78.95800	2.0
83.01260	2.3
85.01418	1.1
85.02830	34.7
87.00767	12.0
89.02305	6.0
91.59948	1.4
93.03362	1.7
95.01278	5.2
96.95913	4.1
97.02880	1.4
98.19819	2.0
99.00763	12.1
101.02348	7.5
111.00753	1.3
113.02345	28.7
115.00265	2.8
117.01855	3.1
119.04915	4.7
134.03638	1.7
136.88438	1.2
137.02348	3.6
149.02454	1.2
150.03140	1.7
155.10725	1.3
157.01357	2.1
163.03963	1.7
165.05444	3.0
171.10196	1.4
175.02411	2.5
185.11929	1.4
191.05588	1.4
195.06549	1.9
205.04875	1.3
249.06184	2.2
354.03094	1.5
359.28024	2.6
370.83264	1.3
371.24384	3.2
423.80035	1.3
424.73303	1.3
445.11487	3.1
533.29443	3.8
739.37610	100.0
740.37799	14.2
765.35565	1.8
783.36658	25.4
784.37384	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	784.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99722	1.2
66.92499	1.2
69.39915	7.6
69.40332	5.6
74.33730	1.5
78.95778	100.0
79.74128	1.3
95.21609	1.5
96.96844	65.7
110.56995	1.5
119.04909	3.2
130.53320	1.5
134.04607	6.5
158.92491	7.2
162.97966	2.2
163.03915	2.1
180.98988	13.0
195.00487	2.6
223.86440	1.4
241.07373	3.7
255.08829	3.0
268.88940	1.3
272.95743	1.5
346.05582	27.3
347.06067	1.7
408.01126	3.2
437.08627	31.1
438.08966	2.4
455.08975	2.0
541.72821	1.5
687.16565	1.6
784.14703	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	783.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	3.3
58.00477	2.9
58.02835	2.1
59.01255	46.9
69.03310	2.5
71.01260	46.2
72.99189	21.6
73.02827	9.3
75.00760	12.2
81.03326	2.3
83.01291	9.6
83.04892	2.4
85.02832	13.0
87.00758	19.3
88.98690	3.8
89.02321	30.3
93.03371	3.0
95.01238	4.1
96.95876	4.2
97.02836	4.9
99.00776	12.5
101.02341	23.0
101.27507	2.3
102.01894	3.2
103.00262	5.1
104.03400	2.6
105.01820	28.3
106.03970	2.2
108.02058	2.4
109.02832	4.8
111.00780	4.6
112.98727	13.3
113.02337	15.8
115.00260	23.3
116.67468	2.0
119.03380	10.2
119.04899	4.5
123.03367	2.1
124.98716	3.6
125.02341	8.6
142.99783	33.4
143.03419	4.0
149.02361	2.4
150.03136	4.2
151.03975	2.3
152.01112	3.2
153.01787	3.4
156.00604	4.0
157.01326	2.6
160.01585	2.5
161.04466	8.4
163.03934	3.9
165.05531	4.3
167.03325	2.4
173.00850	8.4
174.01636	44.0
175.02435	37.3
175.03894	2.7
179.05574	6.4
179.99138	2.0
181.17464	2.0
183.13821	5.4
191.03456	2.6
195.06581	2.3
211.13350	100.0
212.13780	2.8
221.06598	2.4
223.13278	6.1
229.47153	2.4
233.11665	3.0
235.08260	9.0
235.13293	2.2
249.06137	2.9
251.12872	2.5
251.94083	2.1
263.12927	8.4
267.07068	2.9
285.04037	2.5
287.07681	2.2
305.08716	2.7
374.92227	2.2
397.13495	76.6
398.13724	6.4
415.14691	32.3
416.15042	3.7
582.66888	2.2
609.27734	24.3
610.28235	2.8
665.26660	9.3
666.26086	2.5
677.49524	6.5
678.49896	4.6
704.99475	2.2
705.26117	7.0
723.27441	4.9
747.27118	2.4
758.32361	2.6
765.28381	4.1
783.36255	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	783.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.9
55.40135	1.6
57.03322	3.4
58.00459	2.4
59.01252	45.5
59.04006	1.4
68.99683	1.6
69.03336	2.1
71.01256	44.7
72.99181	21.2
73.02814	7.8
74.02338	1.6
75.00743	12.0
83.01250	6.8
83.04908	3.0
85.02821	11.9
87.00751	21.0
88.98685	2.9
89.02322	28.2
93.03320	1.5
95.01274	3.8
96.95918	2.8
96.96819	1.2
97.02845	4.8
99.00761	8.8
101.02318	25.5
102.01852	1.8
103.00276	4.2
104.03437	2.6
105.01822	16.9
109.02850	3.1
111.00777	3.5
112.98694	11.7
113.02339	16.7
115.00273	22.3
119.03379	6.3
119.04901	2.3
124.98722	4.2
125.02379	9.0
133.04756	1.4
134.03647	1.8
136.01556	1.6
137.02368	2.5
142.99771	35.4
143.03438	2.4
145.01398	1.5
145.02942	1.4
150.03122	4.3
152.01035	1.6
156.00522	3.6
157.01389	2.5
161.04503	5.8
163.03874	1.8
164.04820	1.3
165.05515	4.3
167.03384	2.1
167.14348	1.3
173.00822	11.4
174.01619	52.0
175.02417	38.2
175.03918	3.4
176.02777	1.6
179.05598	5.8
183.13910	6.8
184.63661	1.3
193.04953	2.4
193.12314	3.1
195.06616	1.8
205.12206	2.0
211.13338	100.0
212.13734	5.7
214.57974	1.3
218.86946	1.4
223.13351	7.1
235.08173	7.9
237.11076	1.6
239.12901	1.7
249.06026	2.4
249.11333	1.5
251.12927	2.2
253.09253	2.2
263.12881	7.1
267.07242	2.8
271.02567	1.5
287.07797	2.4
299.02060	1.6
305.08743	3.5
355.62534	1.7
361.12537	1.5
371.24341	3.1
381.07333	1.4
397.13519	83.8
398.13687	4.5
415.14575	34.4
416.14941	2.7
585.23425	4.6
609.27667	20.8
610.28186	2.4
637.27527	1.8
647.25500	1.6
665.26514	9.9
666.26984	1.9
677.49969	3.2
678.50305	3.1
683.27618	2.8
703.27545	2.6
705.25775	7.3
723.27051	4.2
765.28436	3.7
783.38458	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	783.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	42.2
69.00374	3.2
69.27995	3.5
69.28291	35.7
71.01256	48.7
72.99205	17.4
76.70870	3.1
78.95770	4.3
83.01237	4.7
85.02818	11.7
87.00755	18.2
88.98729	3.2
89.02330	23.7
95.01234	3.2
96.99175	3.4
97.02882	3.5
98.19775	6.6
99.00739	9.0
101.02305	18.6
111.00756	4.8
112.98709	15.3
113.02322	13.5
115.00278	23.3
119.03381	5.4
124.98708	4.1
125.02325	9.9
142.99776	35.8
143.16269	3.0
145.01326	4.8
173.00832	11.3
174.01630	50.9
175.02394	39.5
179.05542	6.0
183.13795	6.0
190.99847	3.5
195.06651	4.8
211.13345	87.3
212.13609	3.3
223.13268	4.2
235.08270	8.0
236.08578	3.5
251.12787	4.8
253.09174	3.7
263.12732	4.6
352.27408	3.5
397.13504	100.0
398.13675	5.5
415.14548	41.0
609.27704	22.4
610.27472	3.4
647.25928	4.5
665.26563	12.9
666.26520	3.4
705.25989	11.4
723.27570	4.6
783.29974	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	781.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	5.7
58.00461	1.4
59.01253	20.8
68.99677	3.5
69.03326	2.3
71.01254	41.6
72.99181	11.8
73.02815	2.8
74.52109	1.1
75.00750	22.7
83.01255	3.8
85.02827	30.6
87.00751	11.4
89.02334	11.2
89.03832	1.3
90.04327	1.2
91.03876	1.8
93.03328	3.1
95.01266	7.6
96.95892	6.5
99.00758	28.0
101.02309	3.3
109.02847	2.0
111.00764	3.3
113.02333	34.3
115.00243	2.8
117.01817	4.0
117.03336	6.5
119.04895	4.7
121.02845	1.3
125.02281	2.0
129.01846	3.8
132.02054	5.4
133.02881	8.5
134.03641	100.0
135.04355	8.6
137.02313	5.0
148.05177	1.8
149.04768	2.1
149.05984	18.7
150.03079	1.6
151.03830	1.8
157.01347	5.3
160.01570	37.3
161.02365	15.4
163.03900	3.4
165.01872	1.2
165.05493	1.7
175.02382	4.9
175.03906	43.6
176.04430	2.0
177.01915	1.6
178.02646	11.6
179.03424	6.6
181.04959	1.3
189.03984	1.4
191.07130	2.1
192.04250	2.2
193.04994	70.4
194.05328	2.9
195.06503	1.5
207.04951	2.1
221.04477	1.4
231.05190	3.0
235.06133	5.8
241.05067	2.4
242.05421	1.5
249.06151	35.0
250.06482	1.9
252.06329	5.0
253.07146	2.1
256.07431	1.7
267.07053	40.9
271.09875	2.3
279.15060	1.4
295.08215	7.0
315.14340	2.6
323.07867	4.0
337.09219	5.4
349.09311	2.0
381.11871	2.9
399.13211	1.4
425.10983	20.7
426.11130	1.8
443.11929	70.8
444.12317	5.7
473.23727	1.3
476.07028	1.3
531.15369	3.0
586.96674	1.4
605.17328	23.7
606.17188	1.5
781.21948	59.4
782.22760	12.9
782.37128	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	781.4413
Annotation	lugdunin
Peak:m/z	Relative Intensity
63.96100	1.9
71.01255	9.4
73.02824	1.3
78.98465	6.9
79.95605	15.9
80.96393	94.5
85.02831	3.4
87.00745	3.2
94.61097	1.1
94.97963	22.0
97.02837	1.5
101.02309	3.2
106.97969	3.5
111.24602	0.8
115.28629	0.9
122.97443	4.2
125.02323	3.6
134.97476	6.4
136.99004	1.9
148.99060	7.0
151.57564	1.0
152.98535	6.2
164.98538	15.9
178.10991	1.2
206.99602	2.6
211.13412	1.0
225.00684	22.3
226.00966	1.2
229.63062	1.1
255.23303	1.9
525.20074	2.8
537.27551	1.6
781.44135	100.0
782.30878	1.6
782.44421	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	781.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38551	1.1
57.03311	3.8
59.00994	1.4
59.01255	18.4
59.68671	1.1
62.30146	1.0
66.06176	1.0
68.46438	1.3
68.99686	3.3
69.03324	1.1
69.37469	12.4
71.01253	30.5
72.30770	1.3
72.99184	9.6
73.02822	2.4
75.00755	22.0
76.13364	1.2
77.31249	1.1
83.01270	1.6
85.02352	1.8
85.02829	25.4
87.00761	9.8
89.02335	7.1
89.03827	1.3
93.03315	1.9
95.01237	5.6
96.95878	3.2
98.20489	2.4
99.00761	17.5
101.02320	1.7
103.00233	2.0
105.03306	1.3
109.02813	2.1
111.00768	2.9
113.02341	31.2
115.00236	2.4
117.01822	3.9
117.03349	4.9
119.04867	1.8
121.02799	2.2
127.57552	1.2
129.01837	2.9
132.02065	9.9
133.02853	9.1
134.03636	89.5
135.04462	10.9
136.04733	1.3
137.02357	5.6
139.03935	2.2
149.05980	18.1
150.03178	1.7
157.01312	1.4
160.00229	2.7
160.01570	47.9
160.03885	5.1
161.02374	17.1
161.04346	1.5
163.03926	1.4
170.42615	1.3
174.99980	1.6
175.02444	3.2
175.03918	48.3
176.04308	2.4
177.01831	3.0
177.05508	1.3
178.02638	13.7
179.03395	8.8
191.07045	1.6
193.04985	64.3
194.05353	2.5
207.04930	1.7
221.04417	1.9
224.72672	1.2
231.05096	2.1
249.06111	31.5
252.06363	5.5
253.07069	2.3
267.06833	24.7
295.08411	2.8
323.07794	7.9
337.09344	8.8
381.11844	4.0
395.09442	1.2
425.11234	9.1
443.11945	55.9
444.12305	5.7
485.11969	1.4
531.15179	1.5
605.17535	14.1
606.18060	1.4
749.20514	2.5
763.21295	2.4
781.21954	100.0
782.21985	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	779.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	5.0
71.01265	3.3
71.58102	3.0
78.95789	5.9
105.16895	2.3
106.06534	3.9
110.95861	2.4
114.98439	2.6
119.47626	2.3
120.60259	2.2
147.11588	2.5
154.99809	3.1
171.10213	3.4
172.00038	4.0
181.32932	2.5
253.81915	2.5
277.21634	2.9
279.23343	3.5
285.13226	2.8
398.18634	3.3
460.18793	6.9
475.20941	4.4
498.21118	3.7
502.20740	2.8
513.22894	5.8
519.20276	3.4
531.24237	12.8
575.23016	18.9
600.24597	2.9
607.25684	100.0
608.26282	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	779.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	19.5
60.42810	1.0
60.75819	1.0
61.98708	1.2
63.64813	0.9
69.03326	1.3
71.01250	3.7
73.02832	1.3
78.95784	8.7
80.96397	2.5
83.04827	1.1
83.84030	0.9
85.02811	1.3
89.02312	3.3
92.15860	1.0
96.96839	1.7
97.02874	1.0
101.02316	2.3
109.06433	1.3
116.72332	0.9
148.29187	0.9
152.99429	2.5
161.04431	1.4
167.10635	2.1
179.10678	1.6
179.14296	4.0
181.12228	1.6
195.12569	0.9
195.13863	10.4
205.12242	10.3
207.10226	4.9
223.13351	100.0
224.13707	4.4
225.11290	4.7
229.92747	1.7
235.08112	1.7
241.01132	3.6
253.09286	8.3
255.23253	5.6
277.21719	61.3
278.22043	4.4
459.22397	12.5
779.40021	13.0
780.40320	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	777.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29547	0.5
57.03329	0.5
59.01250	5.3
61.98720	0.6
67.01772	0.7
70.75939	1.7
70.91653	0.5
71.01266	4.8
73.02811	1.0
73.41773	0.5
75.00748	0.7
79.91286	0.6
83.01250	0.6
85.02827	2.4
87.00723	0.9
89.02309	2.4
89.37703	0.6
93.03322	0.6
96.95890	2.1
99.00751	0.7
101.02329	2.3
107.04954	0.7
108.02022	0.7
109.02840	1.6
113.02334	3.0
116.92773	2.5
119.03387	1.5
119.04903	0.5
121.02831	3.1
123.00837	0.8
125.02381	0.8
135.04472	1.0
136.01558	0.8
137.01285	0.6
137.02344	13.1
138.02756	0.5
145.02892	0.7
149.02348	0.7
150.03169	1.4
151.03902	2.1
160.01569	0.6
161.02338	1.2
161.04454	1.4
163.03917	3.0
164.01091	1.0
165.01846	92.1
165.05501	1.5
166.02184	4.1
167.03476	0.6
174.03172	0.5
175.03952	4.9
176.04706	1.1
177.01862	0.9
177.05469	1.6
179.03423	14.3
180.04199	59.6
181.04688	2.9
189.05519	2.0
190.06288	4.2
191.07048	4.0
192.04245	0.9
193.05011	2.5
194.05730	4.9
195.02840	2.3
195.06563	81.7
196.06944	3.8
205.04846	0.6
205.08607	5.1
207.06557	3.1
208.07375	2.6
209.04500	0.8
209.08061	1.9
210.05286	13.6
225.07640	100.0
226.08017	4.2
255.02817	0.6
271.02280	0.8
279.71875	0.6
299.02017	0.6
300.02594	1.2
301.03473	1.8
344.12515	0.8
345.13342	0.7
357.13171	0.6
359.10574	1.0
359.15024	20.7
360.15079	1.4
389.16046	1.2
447.09378	1.3
505.59616	0.6
524.88940	0.6
567.22260	3.5
615.24445	17.8
616.24957	3.2
678.80170	0.6
777.34088	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	777.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51571	1.2
56.49342	1.2
57.03346	2.2
59.01252	16.6
61.39514	1.6
69.03355	1.9
71.01259	16.5
71.57877	2.9
72.99197	3.5
73.02824	3.1
75.00756	6.1
78.95779	2.1
79.95597	2.7
81.95168	1.5
83.01247	2.2
85.02852	8.9
87.00770	4.6
89.02336	5.7
93.03338	2.6
95.01279	1.6
96.95898	90.5
98.02363	2.7
98.95486	19.6
98.96304	3.3
99.00779	4.3
99.01879	1.6
101.02336	4.3
101.36258	1.6
107.01306	1.7
108.02079	1.8
109.02821	3.9
111.04425	5.5
113.02359	10.8
116.92770	5.1
119.04869	1.6
119.08610	2.0
121.02867	6.6
122.03632	3.3
122.41745	1.4
124.01514	1.5
125.02386	1.6
135.04399	3.5
136.01563	3.3
137.02351	18.5
140.63815	1.5
145.02834	2.4
146.00974	1.6
147.04369	1.5
149.02367	3.3
150.03131	9.9
151.00241	3.9
151.03908	2.7
153.01843	2.3
162.03157	2.7
163.03952	7.0
164.01079	2.7
164.04688	2.9
165.01855	100.0
165.05527	8.9
166.02361	4.8
173.02402	1.5
173.04475	1.9
174.03154	2.1
175.02605	2.0
175.03967	10.7
176.04669	1.6
177.05443	2.9
179.03433	25.5
180.04214	62.1
181.04761	5.0
188.04767	2.2
189.05522	4.7
190.06253	11.5
191.07097	10.4
192.04134	1.8
193.05008	6.3
194.05775	13.1
195.06569	84.5
196.06903	4.2
204.17683	1.5
205.08676	10.7
206.08917	1.3
207.06564	9.1
208.07321	9.9
210.05360	11.4
222.08833	1.6
225.07655	56.4
226.07957	3.7
249.06190	3.9
261.05475	3.6
267.07248	2.4
267.11423	3.2
271.02548	2.7
282.24564	1.5
299.01901	2.5
300.02811	6.8
301.03418	9.2
315.14462	2.0
344.12708	2.0
357.13690	2.4
358.14139	3.4
359.15021	49.8
360.15378	6.8
388.15286	3.0
389.15927	10.1
390.16281	2.1
417.17801	2.3
433.07806	2.9
447.09018	2.1
448.09253	1.6
537.21515	1.6
552.20361	1.7
567.22351	55.0
568.22571	8.4
577.20990	2.2
595.22473	3.0
597.23328	3.9
615.15240	2.2
615.24591	34.0
616.24670	5.5
747.31158	2.8
759.30798	15.0
760.30945	3.9
777.32452	14.0
778.31769	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	777.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.4
60.54542	0.6
61.98682	0.8
71.01258	4.3
72.35312	0.6
75.00766	1.0
78.95780	3.6
79.61501	0.6
79.95612	2.6
82.12994	0.7
83.04905	0.9
85.02825	1.8
87.00771	1.2
89.02329	2.4
93.03308	1.4
96.95890	100.0
96.96894	3.2
97.95828	2.7
98.02370	7.1
98.03441	0.9
98.19697	1.6
98.95471	22.8
98.96302	3.3
99.00755	1.9
99.01894	5.2
101.02328	1.4
102.41272	0.7
108.02061	1.0
109.02835	2.4
113.02345	1.5
121.02849	4.1
122.03621	1.1
135.04337	0.8
136.01553	0.7
137.02336	11.6
139.61415	0.7
140.69687	0.6
147.00780	0.8
147.04402	1.3
148.01654	0.7
149.02335	2.0
150.03174	3.8
151.00276	2.2
151.03905	2.0
160.03995	1.3
161.02438	0.8
162.03142	1.9
163.00163	0.7
163.03951	4.7
164.01022	1.6
164.04660	0.8
165.01855	74.6
165.05487	4.7
166.02307	3.3
167.03355	0.8
173.02409	0.8
174.03172	1.5
175.03944	7.7
176.04694	1.8
177.01788	0.9
177.05446	2.1
178.99915	0.8
179.03429	19.1
179.04932	0.7
179.07050	2.6
180.04210	48.1
181.04927	3.3
188.04726	1.2
189.05490	2.0
190.06302	7.8
191.07076	7.2
193.05005	4.1
194.05771	10.6
195.06569	62.9
196.06944	2.2
203.07074	1.0
205.08647	7.7
207.06544	5.1
208.07349	4.6
209.08057	2.3
210.05276	7.7
211.06168	1.0
222.08890	0.9
225.07655	44.6
226.08029	2.2
254.01904	0.7
271.02481	2.3
285.04120	1.0
286.36957	0.7
298.45221	0.7
299.02151	1.6
300.02789	3.7
301.03427	5.8
337.11188	0.7
344.12698	1.4
345.13416	2.2
357.13641	1.0
358.14279	1.4
359.15015	37.0
360.15359	3.2
388.15231	2.5
389.15964	6.0
433.07648	2.1
437.18393	1.4
437.68604	2.2
447.09387	2.4
537.18518	1.5
552.20221	1.3
566.43115	0.9
567.22284	40.6
568.22467	6.4
615.24487	23.2
615.34509	1.2
616.24908	3.5
627.17133	1.6
716.50983	2.0
717.51233	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	776.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.9
57.03295	0.6
59.01251	6.3
60.37431	0.6
61.98697	2.3
65.03805	0.8
71.01257	8.6
71.58319	1.2
72.99174	1.2
73.02827	2.9
75.05270	0.6
79.02747	0.6
81.03340	1.8
83.01247	0.8
83.04884	0.8
85.02834	5.8
87.00778	0.8
87.04409	0.9
87.31709	0.6
89.02298	0.6
92.04937	100.0
93.05270	2.2
97.21007	0.6
99.04391	0.7
101.02323	2.5
102.49432	0.6
109.02838	1.3
111.04399	1.0
112.24563	0.6
116.04951	6.7
119.08558	16.6
121.10111	2.0
122.04234	0.6
133.77785	0.5
136.03943	95.9
137.04277	2.6
145.00456	0.6
145.04903	0.9
160.03983	1.3
161.08420	0.6
163.07585	6.6
165.09105	2.3
165.15718	0.6
166.80026	0.7
167.10741	1.5
178.05013	5.2
182.81880	0.6
183.10225	2.9
183.13777	0.9
201.11263	1.4
209.11784	2.1
210.12068	1.2
211.13339	1.1
225.11130	0.6
309.13434	1.9
309.20596	1.2
310.20853	0.8
311.15009	2.4
327.14444	2.8
448.19705	2.1
462.51724	0.7
475.23239	1.3
477.25006	0.8
495.25751	1.1
621.29370	5.7
639.29877	5.2
640.30316	1.0
758.33978	19.0
759.34399	4.0
776.34888	31.2
777.35425	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	776.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13064	1.0
59.01260	7.3
61.98701	4.7
62.91929	1.0
68.89370	1.0
71.01249	8.9
71.57569	1.3
72.99203	1.2
73.02822	4.0
75.00736	2.9
78.95792	1.6
81.03339	2.1
83.01256	1.8
85.02840	4.5
87.00768	1.4
92.04939	92.5
93.05255	1.4
97.02844	1.1
99.00790	2.5
99.04380	1.1
111.04395	1.8
116.04975	6.7
116.92744	2.1
119.08558	12.6
121.10057	2.0
128.33563	1.0
136.03947	100.0
137.04256	2.7
161.09634	1.2
162.95139	1.0
163.07521	6.8
165.09154	2.9
171.10184	1.4
172.07655	1.0
178.05026	4.3
183.10132	2.6
201.11261	1.3
207.10201	1.2
209.11816	4.6
210.12202	2.1
211.13333	1.7
221.60963	1.1
230.52835	1.2
253.09224	1.1
258.66248	1.0
289.18033	1.2
291.19305	1.1
309.13535	2.2
309.20694	2.5
311.14966	4.0
311.21573	1.9
327.14499	3.1
412.21036	1.2
448.19662	5.9
621.29163	5.0
639.30121	5.3
671.20160	1.2
746.34113	1.8
758.33887	19.4
758.47290	1.4
759.34302	3.5
776.34680	23.4
777.35303	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	775.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39189	1.4
59.01255	11.9
61.98680	1.6
63.02267	1.8
65.00188	2.4
67.01760	1.5
69.44052	6.0
69.44479	8.9
71.01255	10.0
77.05506	1.8
82.99860	1.4
83.01266	2.8
85.02818	4.0
87.00768	1.7
87.37048	1.5
89.02309	7.4
93.03363	2.5
96.95895	2.7
98.19810	3.5
101.02312	3.1
107.01266	4.6
109.02834	5.6
113.02341	3.2
119.01222	1.7
121.02853	8.4
122.03616	5.7
123.00799	1.6
135.04387	5.1
136.01578	19.7
137.02361	16.9
149.02333	6.5
150.03137	17.3
151.00284	24.9
151.03935	26.3
156.50169	1.6
161.05931	1.7
162.03116	3.4
163.00273	2.0
163.03870	3.2
164.01138	2.7
165.01859	100.0
165.05495	20.7
166.02637	19.0
167.03238	2.4
171.04530	2.0
175.00235	2.5
175.02481	1.5
175.03908	4.8
177.01860	3.7
177.05518	2.8
178.99846	2.5
179.03430	23.5
180.04214	60.9
181.04993	23.6
190.06276	4.9
192.04283	1.8
193.01318	2.1
193.05032	1.6
194.05812	4.4
195.02890	2.9
195.06575	93.3
196.06879	4.2
199.03952	7.1
201.01889	1.9
203.03465	2.1
203.07059	1.6
210.05273	12.6
215.03404	3.9
225.07661	63.0
227.03421	3.9
243.02995	7.3
255.02846	2.2
271.02490	57.9
272.02798	4.3
289.07239	3.2
292.56961	1.8
299.01981	80.5
300.02594	21.7
301.03534	62.2
301.06940	3.9
302.03854	5.3
302.52820	1.7
329.16049	2.2
343.04849	2.2
357.09692	4.4
357.13568	6.5
372.12201	2.4
386.13577	5.3
387.14545	52.6
388.14743	4.9
417.15558	7.8
447.09402	12.2
565.20758	55.5
566.21057	7.3
613.22760	16.9
614.23254	3.7
628.17841	7.2
629.18976	17.7
630.18518	2.4
775.24585	54.1
776.24969	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	775.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93557	62.0
71.83759	49.3
71.99283	52.3
78.95802	100.0
80.96401	61.7
89.89689	54.1
96.72323	52.1
103.11987	59.7
196.89404	54.4
237.27075	57.8
369.57156	67.1
583.37238	58.2
602.14740	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.4
71.01256	0.4
71.58316	0.2
75.00763	0.2
78.95778	2.9
79.95611	3.0
83.02379	0.2
85.02852	0.1
89.02316	0.1
96.95894	100.0
96.96773	3.7
97.95842	0.3
98.02363	0.5
99.00751	0.1
113.02345	0.1
135.61305	0.1
137.02316	0.2
141.17720	0.1
143.04576	0.1
143.29228	0.1
151.00226	0.1
152.01155	0.1
158.86769	0.1
163.03859	0.1
165.01842	0.7
165.05522	0.2
167.03368	0.1
179.03415	0.1
180.04224	0.1
192.61559	0.1
195.06593	0.4
225.07640	0.2
225.37070	0.1
271.37033	0.1
300.02792	0.1
437.18564	0.2
477.16266	0.2
565.20819	0.1
716.50354	0.5
775.46411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.6
55.91122	0.8
57.03323	3.7
58.00443	1.2
59.01253	30.7
61.14890	1.1
61.98697	1.5
62.27855	1.0
69.03339	1.4
71.01252	46.7
71.34277	1.8
72.99168	3.9
73.02822	7.4
75.00737	2.6
81.03338	1.1
83.01256	4.3
85.02826	18.7
87.00739	4.2
88.98687	3.1
89.02316	20.5
93.03342	9.4
95.01271	2.5
96.95901	7.1
99.00763	7.4
101.02320	8.8
108.02070	2.2
109.02829	4.7
113.02321	11.4
116.92744	1.3
119.03416	1.7
119.04910	4.4
121.02857	5.4
121.10120	7.1
121.10860	1.2
122.03634	10.4
123.04377	2.0
124.01530	2.0
125.02332	3.7
131.03415	5.8
133.02861	3.0
134.03607	2.8
135.04408	2.0
136.01523	1.2
137.01353	1.6
137.02348	12.4
138.03015	1.0
139.00320	1.0
143.03424	1.3
145.02841	2.4
149.02351	27.4
149.04311	1.7
149.05930	1.6
150.03142	90.9
151.00282	9.8
151.03876	6.5
152.01070	3.1
152.04674	5.9
153.01836	14.3
159.04486	1.3
160.01570	1.8
161.02313	2.5
161.04477	4.6
163.03889	3.4
164.04732	6.2
165.01833	3.4
165.05493	100.0
165.09151	3.2
166.02647	32.3
166.05829	3.5
167.03421	2.4
168.04198	23.6
169.04686	1.1
173.04477	1.7
175.02477	1.8
175.03906	6.4
177.01852	2.7
177.05489	3.4
179.03468	2.7
179.06960	2.0
180.04250	7.6
181.05005	38.2
183.06564	14.5
183.10272	1.5
184.03667	1.6
187.03897	2.9
190.02721	2.3
190.06297	1.3
191.05463	1.9
193.05029	5.8
195.06570	62.3
196.06934	2.6
205.04996	8.4
206.05576	1.3
219.06702	1.1
220.07356	4.7
225.07471	2.0
235.09721	1.4
299.02145	1.2
300.02716	1.2
315.14490	71.8
316.14792	4.3
319.08020	1.2
329.10266	1.5
329.16449	1.3
372.12085	1.6
387.10577	4.4
387.14871	8.2
388.14886	1.6
402.13077	4.8
403.13779	2.4
416.14716	3.2
417.15543	50.1
418.15878	5.5
477.16135	41.8
478.16309	3.3
535.16211	3.6
550.18549	1.5
565.20740	58.8
566.21033	9.1
595.22089	1.9
613.22784	28.0
614.23431	5.1
631.93164	1.2
675.19324	2.6
758.99890	1.2
775.26477	3.4
776.24677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66390	2.6
60.55166	2.7
67.56519	3.0
78.95778	50.2
96.96810	3.1
111.08060	4.7
118.94526	3.2
152.99509	49.2
153.30054	3.0
171.00528	6.8
197.11780	19.7
207.19321	3.1
227.03276	4.5
229.61749	3.0
253.21724	40.1
255.23380	4.3
291.19644	7.9
291.60532	2.9
309.20700	18.7
445.19839	7.4
519.23907	6.3
537.24701	100.0
538.25067	13.3
773.46240	65.2
774.46649	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	775.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	7.5
61.98712	2.9
63.02281	1.6
65.00187	3.8
65.12724	1.5
69.62234	8.3
71.01250	4.8
83.01266	5.1
85.02834	2.8
89.02324	2.8
93.03343	2.8
94.29679	1.6
95.04900	1.6
96.95908	3.6
101.02296	2.3
103.03852	1.8
107.01270	6.0
108.02082	1.8
109.02848	10.1
120.24790	1.6
121.02840	9.1
122.03613	3.5
123.00764	2.2
123.04430	4.8
125.02309	6.6
133.02841	2.3
135.04422	4.6
136.01572	22.8
137.02356	22.2
139.03894	2.7
143.04866	2.0
149.02336	4.9
150.03130	11.7
151.00290	25.3
151.03932	28.3
152.01103	2.3
156.83302	2.1
157.41019	1.6
162.03044	2.0
163.03938	3.2
164.01099	2.3
165.01855	97.2
165.05490	11.2
166.02609	15.9
169.01405	2.0
172.05106	2.1
175.00371	2.5
175.03926	4.9
177.05617	1.5
178.99782	4.1
179.03442	24.0
179.07112	2.1
180.04227	50.1
181.05028	18.8
181.51436	1.7
187.03998	3.0
189.05476	3.3
190.06310	3.4
191.03459	1.6
194.05692	4.1
195.06583	85.1
196.06885	2.4
199.03922	5.7
201.01759	1.8
203.07095	4.4
205.04901	2.8
209.08310	2.0
210.05292	12.7
215.03397	2.4
225.05420	3.6
225.07645	61.8
226.02647	1.8
226.07965	4.0
227.03482	5.7
241.74120	1.6
243.02988	6.3
245.08223	4.9
255.02831	2.5
271.02496	79.5
272.02899	6.4
289.07187	22.6
299.01974	100.0
300.02634	25.0
301.03549	88.7
301.06320	1.5
302.03799	7.1
313.03339	2.1
343.11929	3.2
356.12402	2.7
357.09729	5.1
357.13528	6.1
372.12204	3.4
387.14502	68.9
388.14957	6.0
417.15381	4.7
447.09332	16.9
520.17487	2.1
535.19904	2.3
565.20746	59.1
566.21222	7.8
613.22968	18.8
628.18005	17.1
629.18744	25.1
630.18604	4.6
775.24597	79.3
776.24799	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	773.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.2
59.01253	7.8
61.98701	1.2
71.01262	8.2
72.99171	1.1
73.02822	1.5
78.95747	1.7
83.04898	5.3
85.02842	2.2
87.00790	1.9
89.02312	4.0
101.02322	4.2
111.08048	3.4
113.02330	3.5
116.92739	1.9
119.75658	1.1
120.37688	1.2
125.02342	1.2
125.09569	1.8
127.11170	2.6
130.25867	1.1
157.04599	1.1
161.04454	1.4
163.11192	4.5
165.09113	2.1
165.12762	4.7
169.12296	2.1
171.10181	6.1
183.13818	1.9
193.12505	1.3
197.11758	14.9
199.13361	1.6
201.11253	49.2
202.11554	3.0
207.10355	1.5
209.11775	100.0
210.12088	7.7
211.13353	5.0
225.11313	2.5
227.12892	14.4
235.08231	4.0
253.09248	22.8
254.09749	1.5
291.19681	25.3
292.20126	1.9
300.02905	1.3
308.10236	1.0
309.20718	59.0
310.21027	5.1
311.22131	1.2
327.21744	2.2
371.26440	1.2
395.33105	1.2
437.20111	1.7
445.20099	1.2
493.32077	1.7
545.29425	2.1
773.43292	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	773.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83599	0.8
57.03317	2.7
59.01254	12.7
61.98706	1.2
69.45891	3.6
69.46317	4.8
71.01268	10.3
73.02808	2.6
81.03328	1.7
83.01255	1.4
83.04898	1.8
85.02827	7.7
87.00744	3.2
89.02326	3.9
96.95897	1.8
97.02831	2.2
97.06474	3.4
100.90140	0.9
101.02341	8.7
109.06516	1.6
111.08066	1.7
113.02343	4.4
119.03373	1.9
123.08068	1.1
123.88251	1.1
125.09602	1.8
127.11117	2.3
137.09596	1.3
145.04994	1.4
161.04468	4.1
163.11086	2.0
165.12808	9.3
171.10197	16.6
172.10634	1.2
177.12662	2.0
181.08649	2.1
183.13850	100.0
184.14166	4.5
185.11781	2.2
197.11755	2.2
199.13354	1.1
201.11258	10.2
207.10057	1.3
209.11787	26.8
209.13762	1.3
210.12227	1.6
211.13379	15.7
221.11865	2.0
227.12874	10.2
229.14433	13.1
230.14758	1.4
235.08235	6.8
239.12926	1.6
253.09291	11.4
291.19693	7.2
300.02902	1.0
307.19214	1.7
309.20773	9.7
316.01755	1.1
327.21802	33.1
328.22021	2.1
331.04419	1.0
444.30807	1.0
445.20770	2.3
456.76004	0.9
463.21951	5.7
755.41748	1.4
773.43353	91.8
774.43597	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	773.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.4
59.38203	0.2
61.98700	0.6
67.09252	0.1
71.01260	1.5
71.57169	0.2
71.57558	0.3
78.95782	4.2
79.95614	3.0
79.96080	0.2
85.02827	0.2
94.97977	0.3
96.95895	100.0
96.96784	5.2
97.95873	0.4
98.02383	0.7
98.90588	0.2
109.66945	0.2
114.63779	0.2
118.96496	0.2
146.96136	0.2
171.10204	1.2
179.74307	0.2
185.11864	0.3
199.09738	0.2
201.11269	0.4
207.10266	0.3
209.11810	0.5
225.11313	0.4
229.14380	0.5
231.20515	0.2
253.09381	0.3
277.21677	0.3
293.21146	0.8
309.20746	0.2
327.21442	0.2
361.04675	0.3
397.13382	0.2
401.19186	0.2
407.17477	0.5
435.08322	0.6
453.09430	0.9
489.81686	0.2
593.26630	0.3
596.82990	0.2
713.30310	1.0
714.30676	0.2
773.42816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.8
65.00153	0.4
66.11778	0.3
69.03322	0.4
71.01266	1.5
71.59071	0.3
73.02811	0.4
85.02829	5.9
86.28712	0.4
87.00759	1.4
93.03343	3.2
98.19755	0.8
101.02338	0.5
107.01283	1.0
109.02855	0.7
111.04399	1.2
113.02329	0.6
119.04948	0.8
121.02831	0.4
122.03166	0.4
127.03915	1.9
138.38943	0.3
145.02870	0.8
151.00293	3.0
152.00648	0.9
163.03935	1.3
171.02945	0.6
173.04494	1.4
178.99762	1.6
179.52281	0.4
191.05556	100.0
192.05894	3.3
196.16241	0.3
239.71208	0.4
239.96420	0.4
243.03032	0.7
251.25356	0.4
255.03040	1.0
256.03351	0.5
257.03564	0.5
271.02472	2.6
272.02884	2.3
273.03119	1.6
299.02014	0.9
300.02667	4.2
301.03369	6.8
302.03714	5.4
303.04114	2.2
337.09296	23.1
338.09586	1.8
349.18549	0.5
391.19791	1.3
406.72348	0.4
463.09033	1.3
464.09238	1.2
465.09433	2.3
525.71448	0.5
610.15070	2.0
611.15253	6.2
773.20392	3.0
774.20441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.4
61.98706	0.9
71.01254	0.7
75.00760	0.3
75.70606	0.2
78.95780	5.8
79.95615	3.3
85.02835	0.2
88.29688	0.1
89.02343	0.3
90.85036	0.2
90.97054	0.2
94.97935	0.2
96.95898	100.0
96.96796	7.0
97.02850	0.2
97.95827	0.3
98.02396	0.2
104.17554	0.1
118.96542	0.5
144.98108	0.2
146.96036	0.2
152.99524	0.4
160.97765	0.2
171.10289	0.2
181.25839	0.2
185.11790	0.2
209.11766	0.4
217.00369	0.2
277.02820	0.2
277.21661	0.4
278.22171	0.2
301.02664	0.2
309.20477	0.2
333.05252	0.2
354.44516	0.2
361.04825	0.3
397.13419	0.4
400.67056	0.2
407.17624	0.6
409.57889	0.2
435.08221	1.2
453.09140	1.4
592.45557	0.2
593.26660	0.5
644.34570	0.2
713.30725	1.3
714.30670	0.3
773.43085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.7
59.01248	8.8
68.99655	1.4
69.33107	11.7
71.01250	12.4
72.52480	1.2
72.99157	3.3
73.02792	3.8
75.00723	4.4
81.03330	1.8
83.01252	3.3
85.02807	10.9
87.00723	3.1
89.02303	2.9
93.03330	22.0
95.01287	2.3
96.95847	2.1
99.00735	1.5
101.02317	7.6
103.40014	1.1
108.02051	87.0
109.02856	32.7
113.02330	8.6
113.31805	1.3
119.04855	1.5
121.02807	3.6
123.00733	2.0
123.04374	1.6
124.01514	1.2
125.02323	1.7
132.02031	1.3
133.02779	1.8
134.02477	1.1
134.03580	5.3
135.04375	2.2
136.01486	3.9
136.03841	1.8
137.02350	45.7
138.02603	1.2
149.02373	2.6
151.00253	1.5
151.03908	6.8
152.01059	100.0
153.01849	30.0
153.98560	1.3
156.70514	1.2
160.01567	8.8
161.02206	3.6
163.03889	2.1
165.01830	1.2
167.03345	2.5
174.04726	1.2
175.03842	6.5
177.01741	1.2
178.99722	1.5
179.03337	3.4
181.04944	1.3
191.05453	1.3
193.04961	3.3
193.55750	1.2
206.21001	1.1
255.02728	1.3
271.02344	4.1
273.02792	1.4
281.06705	21.7
299.01935	2.4
300.02414	4.3
301.03363	5.5
302.03510	1.7
303.04071	1.5
315.07233	14.8
315.14447	2.5
391.10025	3.3
427.12210	1.3
435.09302	66.4
436.09698	7.5
447.09277	1.7
475.14642	2.0
477.09836	1.7
569.19379	1.4
597.14575	44.3
598.14514	4.7
641.13898	2.5
743.27374	2.5
755.26080	1.5
773.18732	58.2
774.19214	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	771.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	17.3
61.98704	46.2
70.66460	2.8
71.01260	28.5
74.19563	3.0
78.95788	5.9
80.96397	4.2
83.04888	6.9
87.00745	6.1
88.03539	3.0
89.02294	6.1
94.92339	3.2
94.97970	8.4
96.95889	4.1
98.20542	10.8
101.02312	3.8
109.06465	4.8
113.02341	4.6
116.92673	3.1
123.35934	3.1
125.09612	3.2
152.99496	3.8
155.10730	4.1
163.11198	8.3
171.10194	22.7
181.12067	3.7
183.13782	3.6
197.11813	8.3
201.11220	4.6
207.10175	12.0
209.11786	100.0
210.12071	6.6
211.13390	23.3
223.13470	3.6
225.11223	14.7
227.12781	20.3
229.14423	17.3
235.08099	6.0
253.09267	25.2
255.02834	3.3
271.02417	4.5
275.20248	3.1
289.18027	3.5
291.19629	7.0
293.21292	45.6
299.02069	4.3
300.02658	7.7
309.20697	13.5
311.22086	3.8
317.05350	4.1
323.18768	4.7
325.23709	4.1
327.21817	7.3
709.28943	6.8
753.40710	4.3
771.43182	14.7
772.42035	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	771.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79607	3.4
61.41335	3.9
61.98710	9.6
69.58275	4.1
71.01258	8.9
72.99171	7.4
73.03925	9.4
74.02353	5.2
78.95778	6.9
80.96423	5.2
85.02845	4.0
85.03960	3.7
93.17358	4.3
99.92490	7.0
116.92749	100.0
117.92766	4.9
129.10251	7.5
130.06059	5.7
152.99509	4.9
168.11362	6.3
169.09689	6.9
171.10201	5.1
225.15907	3.7
255.23042	4.7
288.26141	5.0
330.25070	4.3
741.48059	26.6
742.48456	6.4
771.49054	63.7
772.49329	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	771.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11314	0.4
57.03324	0.6
59.01253	5.4
61.98681	1.2
69.03322	0.8
71.01267	5.3
71.04894	1.0
71.37580	1.0
73.02821	1.2
74.16869	0.5
80.02546	1.0
81.03342	1.1
83.01239	0.6
83.04901	6.0
84.02036	0.6
85.02829	1.8
87.00758	1.0
89.02321	3.4
93.03326	0.7
95.01292	0.5
95.04921	1.0
97.02837	1.0
97.06471	1.0
99.04443	0.5
101.02332	4.5
109.06489	2.9
111.08023	0.8
112.05236	0.5
113.02332	1.9
119.03312	0.4
120.01971	0.4
121.06499	0.5
123.08065	0.8
125.05959	1.2
125.09617	1.6
125.70233	0.4
127.07518	0.7
127.11189	0.8
135.08047	1.4
137.09613	0.8
143.03436	0.4
145.04976	0.7
147.11716	0.5
151.00261	0.6
153.09111	4.9
155.10713	0.7
161.04485	1.9
163.11212	5.6
165.12787	2.9
169.12306	0.9
171.10191	15.5
178.09981	0.9
178.99841	0.6
181.12251	0.9
183.13847	1.0
185.11766	2.7
191.10686	1.9
193.12375	0.5
197.11790	5.7
198.12100	0.7
199.13313	1.0
201.11278	1.9
207.10226	1.8
209.11787	100.0
210.12128	5.6
211.13373	4.6
223.57417	0.5
225.11296	4.0
227.12859	12.9
235.08238	3.6
235.13376	1.0
238.12027	0.6
245.19051	1.0
249.15044	0.9
253.09290	11.9
254.09671	0.5
255.03107	0.9
271.02542	1.1
289.18088	6.8
290.18491	0.7
291.19666	1.9
300.02707	0.6
301.03430	0.5
307.19189	22.6
308.19421	2.2
309.20764	3.5
315.01422	1.3
325.20200	19.6
326.20654	1.2
327.22134	0.5
341.23169	0.6
345.20737	0.8
407.20233	0.6
445.20914	0.9
461.20486	1.0
517.31793	0.8
525.27325	0.8
543.28082	4.1
544.28528	0.5
561.29004	1.0
684.34015	0.6
735.39496	2.1
753.40833	3.2
754.40961	1.1
771.30994	1.3
771.42529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.5
57.03324	2.9
59.01254	9.2
69.03311	2.5
71.01254	10.9
71.04897	3.2
73.02821	1.7
75.85754	1.1
83.01266	1.3
83.04891	2.5
85.02812	2.3
87.00750	2.2
87.73198	1.3
89.02319	2.7
95.04887	2.2
97.02836	6.7
97.06483	5.4
99.00766	19.9
101.02317	5.5
109.06436	2.0
111.08022	1.8
113.02333	3.6
123.08076	2.9
123.59129	1.3
125.09630	10.4
127.11163	2.1
135.08084	1.7
140.55786	1.1
142.02562	1.6
161.04565	1.9
163.11229	16.3
164.11583	1.3
165.12709	4.9
171.10199	16.7
181.12262	21.7
183.13821	13.2
185.11768	3.0
197.11745	10.0
198.12082	1.2
199.13383	8.9
201.11267	2.8
207.10217	31.7
207.12181	1.5
208.10553	2.5
209.11766	13.5
211.13338	4.0
225.11292	45.5
226.11627	3.8
227.12868	2.7
235.08080	2.8
241.43469	1.1
243.12357	17.7
245.19130	1.4
253.09367	7.8
291.19711	12.2
292.15894	1.3
299.02072	1.3
307.19205	5.9
309.20801	17.1
315.01627	1.3
325.20154	3.5
327.21820	1.9
405.18286	1.4
461.20239	4.9
479.21423	7.3
631.30377	1.3
639.35181	1.3
753.40515	4.6
771.41797	100.0
772.42175	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	771.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03325	2.7
58.00464	1.0
59.01258	25.4
64.47861	0.8
67.49940	0.8
68.99697	1.1
69.23866	10.4
71.00891	1.7
71.01257	23.1
72.99184	7.4
73.02822	3.7
75.00755	15.2
79.95605	1.8
82.87254	1.0
83.01278	2.7
85.02827	18.4
85.03295	1.7
86.00014	1.1
87.00745	7.2
89.02319	7.0
95.01269	5.2
96.95878	2.3
99.00764	9.1
101.02332	7.7
103.00262	1.4
113.02345	15.2
115.00266	1.3
117.01842	1.1
119.03395	1.2
121.02836	1.2
125.02353	2.8
129.01852	1.7
129.43846	0.9
131.03375	1.2
132.02057	1.0
134.03658	1.6
136.01555	1.5
151.03915	1.1
160.01566	3.8
163.03877	0.9
175.00438	0.9
175.02434	2.2
175.03947	3.9
190.02611	1.5
191.05554	1.3
193.04941	2.0
201.61267	0.9
206.05411	1.0
231.05000	1.1
249.06123	8.0
252.54828	1.0
289.91504	1.1
302.13425	1.1
313.23859	2.6
341.26920	4.4
359.28070	16.1
360.28339	1.6
503.32321	2.2
521.33398	22.4
522.33514	2.9
595.22687	1.5
719.69965	1.0
753.39362	1.2
771.28772	5.9
771.40448	100.0
772.30249	1.2
772.40900	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	771.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.9
57.03310	3.4
58.00475	1.0
58.93375	1.0
59.01250	30.7
61.98704	1.6
65.52537	1.1
69.03330	2.6
69.79160	0.9
71.01255	27.8
72.01595	1.0
72.99189	7.3
73.02814	4.7
75.00369	1.0
75.00756	14.9
78.95765	1.7
79.95576	2.3
80.96391	2.0
83.01255	3.0
85.02348	1.9
85.02827	25.9
87.00756	7.1
89.02334	9.1
93.03327	1.7
95.01274	6.5
96.95868	3.2
98.19828	2.5
99.00747	10.2
101.02325	9.6
108.01991	1.3
109.02901	1.5
113.02330	19.9
113.93895	1.0
115.00262	1.6
115.54031	0.9
117.01821	1.7
117.91245	1.0
119.03380	2.3
119.04898	1.6
121.02828	1.3
125.02331	3.1
129.01804	2.2
131.03357	1.2
132.02081	1.2
133.02864	1.2
134.03639	6.5
136.01576	4.8
137.02335	2.0
151.00385	1.3
151.03908	4.9
157.01421	1.1
160.01605	5.7
161.02306	2.9
161.04424	1.6
163.03944	1.7
164.04774	1.0
167.10690	1.3
175.02341	3.0
175.03905	5.9
179.03410	1.2
190.02605	1.7
190.89429	0.9
191.05522	2.1
191.07089	1.3
193.04973	5.1
202.72154	1.0
205.04918	2.2
223.06055	2.0
229.25687	1.3
231.04872	1.0
235.06168	1.4
249.06139	9.3
253.09164	2.8
267.07193	2.2
268.07211	0.9
271.06161	1.1
285.03961	1.3
287.22244	1.9
300.02875	1.3
313.23938	2.9
315.14496	1.5
327.12540	1.4
335.94662	1.1
341.26889	2.7
357.13278	2.8
357.26123	1.4
359.28000	17.0
360.28284	1.2
367.10507	1.1
385.13196	1.3
431.26645	2.3
449.27579	4.5
503.32034	2.4
521.33276	23.2
522.33484	2.5
567.22607	1.5
595.22528	5.8
596.22620	1.5
642.68726	1.0
667.38751	1.3
685.39880	1.3
727.41180	2.0
753.39868	1.4
771.27423	12.2
771.40204	100.0
772.27783	3.9
772.40582	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	771.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.6
71.01294	1.6
71.57199	1.3
71.57623	2.5
74.02348	2.2
86.02350	1.5
87.40109	1.1
89.02313	1.2
96.95921	1.6
99.05523	3.0
107.01312	1.4
107.83056	1.2
109.03956	1.3
120.23263	1.2
121.02863	1.7
128.03423	8.0
139.84343	1.2
143.04510	13.0
144.04858	1.5
146.04465	1.2
149.02347	7.2
151.00291	5.0
152.00987	2.5
160.00656	3.4
163.03912	2.5
164.04686	7.0
177.03369	1.9
178.99799	3.3
179.04549	2.9
179.07014	3.2
193.01343	4.0
196.22783	1.1
199.03819	1.6
208.03705	8.4
210.08760	1.6
215.03400	1.1
223.06071	30.0
223.08107	2.4
225.64082	1.1
226.02490	1.6
227.03366	3.2
243.02985	11.1
247.40469	1.3
254.02124	1.8
254.07730	2.7
255.02988	20.7
263.89813	1.3
271.02493	56.0
272.03018	5.1
272.08926	3.9
289.07120	1.3
299.01978	4.9
300.02756	100.0
301.03308	11.4
304.19571	1.3
306.07654	22.6
307.07990	9.4
308.07281	1.9
385.11362	5.5
386.31992	1.3
609.14587	65.2
610.15253	7.8
771.19916	11.0
771.32343	2.2
772.19745	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	771.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.6
57.03309	4.8
59.00994	2.1
59.01257	29.9
59.77932	1.5
61.94690	1.6
61.98686	1.4
63.36637	1.5
63.74385	1.6
67.01762	1.4
68.99697	1.5
69.03324	2.7
71.00896	2.3
71.01257	35.2
71.57961	2.7
71.85208	1.3
72.99181	11.3
73.02806	5.1
75.00756	19.7
79.29517	1.5
83.01254	3.0
85.02828	24.9
87.00761	9.9
87.49290	1.4
88.98669	1.8
89.02309	8.3
93.03357	2.3
95.01245	5.3
96.95870	5.1
99.00778	18.8
101.02325	10.4
109.02827	2.0
111.00725	2.9
113.02348	26.7
115.00259	3.0
117.01840	2.5
117.03337	1.6
119.03364	1.8
119.04902	1.6
121.10136	2.1
129.01772	2.1
130.99716	1.4
132.02054	11.2
133.02843	3.8
134.03639	42.4
135.04402	2.8
135.48904	1.5
137.02328	5.5
141.58063	1.6
149.05975	4.3
160.01578	45.0
161.02370	12.5
161.04520	2.1
163.03952	2.2
165.09061	1.7
167.10727	9.3
175.02559	2.1
175.03934	37.5
176.04556	4.1
177.01790	1.9
178.02548	1.6
179.03391	2.2
191.07013	4.0
193.05038	23.0
194.05350	2.7
207.06532	2.9
235.06113	6.9
239.68803	1.7
249.06122	15.8
259.13583	1.5
267.07172	5.5
345.15378	1.5
417.17508	7.3
562.45233	1.5
577.21783	3.2
595.22467	44.1
596.22388	3.7
606.39014	1.8
667.38818	5.6
685.39972	3.0
753.25208	2.9
771.27185	100.0
772.27466	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	771.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.5
60.21637	1.8
69.51119	5.3
69.51533	7.8
107.01360	1.7
136.74020	1.8
145.06143	2.5
151.00264	2.7
177.60835	2.0
184.95578	1.7
199.03894	2.6
214.11313	1.6
215.03268	2.2
227.03453	4.0
236.32320	1.5
243.02977	4.4
255.03052	2.0
271.00226	1.3
271.02478	65.1
272.02872	5.4
299.01974	100.0
300.02563	15.1
301.03485	5.0
306.07397	2.1
462.08121	25.3
463.08997	3.3
609.14764	11.3
771.19867	44.6
772.19720	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	771.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	11.4
62.18634	3.2
63.02261	4.2
65.00196	11.0
67.01778	4.0
71.01250	9.4
71.57732	5.9
75.14033	3.1
75.63586	3.0
83.01237	4.5
87.00743	3.3
93.03324	5.4
95.01299	3.5
96.95902	4.4
99.00747	4.3
101.02295	4.2
107.01259	10.6
108.02053	5.6
111.00750	9.1
113.43166	3.8
116.92770	18.6
117.03368	8.4
120.28172	4.4
121.02869	4.4
123.00710	4.5
125.02296	4.2
132.02031	4.5
133.02861	6.5
137.02357	5.0
139.00288	17.5
141.01868	3.9
145.02872	6.4
149.99489	5.4
151.00290	38.9
152.00922	5.6
155.04950	4.6
159.04408	8.6
165.01773	6.9
165.94328	3.0
166.99773	5.5
168.00571	3.4
169.01369	6.1
171.04449	9.2
173.02287	5.2
174.03044	3.5
177.01897	4.4
177.98970	9.2
178.99808	37.9
183.04498	6.8
185.02457	3.8
187.03966	9.6
193.01207	4.7
195.98648	3.3
199.04001	7.6
203.03352	6.8
211.03839	3.2
214.02705	4.0
215.03455	10.1
216.04330	5.2
217.05005	3.8
227.03406	14.6
231.02811	9.4
243.02916	16.8
244.03862	6.8
245.04625	3.8
255.02983	52.3
256.03458	8.5
257.04626	4.4
259.02484	16.1
270.01706	12.7
271.02472	94.0
272.03094	22.5
273.04044	4.4
283.02454	27.9
284.03134	16.2
285.04004	10.3
287.01923	22.4
288.02713	6.6
297.04074	4.3
298.01114	5.4
299.01929	100.0
300.02701	50.8
301.03540	34.9
316.02185	51.9
317.02911	18.7
445.03168	4.0
609.14972	11.0
663.17871	5.2
753.19397	13.0
771.19708	84.4
772.20117	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	771.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27819	0.7
65.00179	1.1
69.58305	2.8
69.58728	2.6
75.06625	0.7
82.72530	0.8
86.58429	0.8
103.05012	2.5
107.01266	2.3
109.02837	0.9
115.27844	0.9
133.02815	0.9
133.55165	1.0
145.06091	5.0
149.02319	1.0
151.00259	8.7
169.01280	1.1
174.79190	0.7
175.00275	1.4
178.99725	2.8
187.03812	1.2
199.03957	3.1
201.01871	0.9
211.03735	1.1
215.03456	1.4
227.03421	3.8
243.02994	5.0
255.02940	5.3
271.02484	57.3
272.02893	5.3
299.01968	100.0
300.02646	32.5
301.03522	42.5
302.03851	3.5
313.03580	1.3
343.04633	1.3
344.02399	0.8
382.77557	0.9
462.08087	13.7
463.08725	9.2
609.14618	51.1
610.14801	5.1
651.15118	1.2
694.86292	0.8
771.19879	60.3
772.20282	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	771.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21090	0.6
57.47616	0.6
62.88577	0.6
63.02256	1.8
65.00191	4.3
66.76188	0.5
67.64105	0.6
69.46754	3.8
69.47166	1.3
71.17649	0.6
80.20499	0.6
83.01266	3.5
83.97890	0.6
93.03337	0.7
98.92603	0.6
107.01282	9.3
109.02827	1.2
121.02850	6.6
125.02291	0.7
131.87862	0.7
149.02388	1.9
151.00275	36.8
152.00652	0.8
161.02406	0.6
163.00288	2.5
164.01083	0.9
169.01385	3.0
178.99786	19.8
183.04329	0.7
187.03928	1.2
191.05533	1.7
193.01245	1.1
199.03983	3.2
203.03394	0.8
211.03993	1.2
215.03439	1.4
226.02628	0.8
227.03525	3.6
229.05110	1.7
238.84810	0.6
243.03006	9.9
244.03362	1.0
245.04625	1.4
254.02258	1.4
255.02960	22.2
256.03403	1.9
271.02466	48.5
272.02972	4.5
273.03995	3.2
283.02457	0.9
287.01859	0.9
299.01987	20.5
300.02734	88.7
301.03503	100.0
302.03842	7.2
316.02234	1.9
343.04861	0.7
403.10736	0.7
462.07935	2.6
463.08820	41.0
464.08994	3.5
609.14630	83.8
610.15057	11.8
771.19843	33.5
772.20490	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	770.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.4
59.48166	0.1
61.98707	100.0
63.99150	0.2
68.47938	0.2
70.42558	0.6
71.01255	1.1
73.02824	0.3
79.95617	0.5
80.96386	1.2
85.02837	0.7
89.02341	0.3
95.01305	0.2
97.02820	0.3
98.20459	0.2
99.00755	0.2
101.02343	0.4
113.02348	0.5
121.02869	0.2
125.02315	0.3
125.09606	0.2
135.38129	0.2
136.01596	0.3
136.03981	0.2
151.03999	0.3
156.57509	0.2
164.38559	0.2
164.98543	0.3
171.10149	0.3
209.11813	0.9
210.12239	0.2
211.13489	0.3
417.88580	0.2
770.35181	0.6
771.33936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
57.78027	1.4
58.70915	1.5
59.01249	9.3
62.64405	1.4
63.02286	2.0
65.00185	3.1
71.57995	2.4
73.02804	1.8
83.01273	3.2
85.02834	3.5
89.02340	4.1
93.03349	2.0
95.15727	1.3
101.02325	3.6
102.91125	1.6
107.01279	7.9
108.02047	1.9
109.02853	4.4
113.02291	2.9
119.04960	3.0
121.02842	2.2
124.01537	1.6
125.02352	2.8
133.02901	2.0
134.03624	2.9
134.59148	1.4
137.02354	2.0
147.04417	1.5
149.02403	2.0
151.00279	31.3
153.01849	4.2
160.01555	3.0
161.02333	3.0
163.00291	1.6
163.03952	3.1
163.06075	2.1
166.02658	1.7
169.01303	2.7
171.04404	1.7
175.00287	2.2
175.03928	5.4
178.99783	6.3
193.05034	1.9
199.03976	7.7
199.77904	1.5
201.01881	2.2
211.03923	1.6
215.03558	2.1
226.02740	1.7
227.03387	7.9
243.02888	7.3
249.11351	1.9
255.02959	6.4
271.02499	88.4
272.02850	4.5
273.04114	1.9
285.03854	1.8
299.01981	100.0
300.02686	40.8
301.03537	77.6
302.03940	5.3
315.05142	12.4
323.07578	6.9
337.11548	2.9
343.04565	2.0
433.07660	19.3
517.09534	2.9
638.12787	14.2
639.13599	83.0
640.13715	8.7
641.25177	1.7
671.30084	1.6
673.08246	1.6
698.80255	1.6
771.17584	30.6
771.31366	1.7
772.17896	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	769.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.7
57.03328	2.4
58.00467	1.2
59.01253	17.6
61.98709	0.8
63.98032	0.7
69.03320	1.1
69.25213	6.9
69.25631	0.9
71.01254	17.9
72.99184	5.5
73.02810	3.1
75.00753	10.5
83.01254	1.7
83.86286	0.7
85.02294	0.9
85.02819	14.9
87.00759	5.2
88.98668	1.2
89.02316	4.6
95.01281	4.6
97.02854	0.7
99.00758	8.4
100.01040	0.8
101.02343	4.2
101.02937	0.6
103.00238	1.3
111.00745	1.0
112.01417	0.8
113.02338	11.6
115.00229	1.3
117.01790	1.1
119.03395	0.8
119.04887	0.7
129.01794	0.9
139.11086	0.8
141.76767	0.7
175.02446	1.3
193.05067	0.7
225.36873	0.9
249.06204	6.2
267.07248	0.9
309.24277	0.9
311.22189	1.2
321.58783	0.8
327.25403	2.6
339.25369	4.2
341.26962	1.4
357.26465	14.0
358.26669	1.3
501.30994	2.1
519.31714	15.3
520.32043	2.8
576.81366	0.8
751.38031	1.3
769.38660	100.0
770.38940	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	769.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.0
57.03328	2.4
58.00470	0.8
58.31410	0.5
59.01253	16.7
61.98706	1.0
63.00920	0.5
68.99672	1.0
69.03317	1.1
71.01252	19.1
72.99174	5.6
73.02831	2.4
75.00750	12.1
78.95778	0.6
83.01255	1.4
85.02821	16.2
87.00752	4.5
89.02319	3.8
93.03310	0.6
95.01269	4.2
96.95903	0.7
97.02811	0.6
99.00755	8.3
101.02321	4.4
103.00220	1.5
111.00771	1.2
113.02335	12.5
114.02699	0.6
115.00248	1.8
117.01813	1.6
119.03363	1.2
125.02362	0.6
128.77699	0.5
129.01863	0.9
131.03368	1.0
160.01593	0.6
163.03877	0.7
173.89449	0.5
175.02318	1.9
175.03789	0.7
185.11797	1.8
189.03972	0.5
193.04967	0.8
249.06105	5.8
255.02911	0.7
284.03162	0.8
297.24625	0.8
309.24295	1.4
325.23788	0.7
327.25394	7.9
339.25439	6.8
340.25870	0.7
341.27048	4.1
357.26477	17.4
358.26688	1.7
501.30920	1.2
519.31702	13.6
520.32104	1.8
751.37274	1.2
769.38629	100.0
770.38947	15.6
772.12628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85172	1.6
55.01753	3.3
57.03320	6.4
59.01257	76.7
65.20509	1.6
69.03313	4.2
71.01257	60.0
72.76183	1.5
72.99188	13.2
73.02827	18.4
75.00752	4.8
75.06637	1.5
83.01283	9.1
83.04889	1.9
85.02836	28.2
87.00778	8.5
89.02329	17.3
93.03323	2.2
95.01242	3.7
96.95895	3.1
97.02833	3.5
98.20586	3.7
99.00755	11.7
101.02329	32.3
109.02849	2.4
111.00774	4.1
111.04415	2.0
113.02333	23.1
119.03411	6.2
119.04923	100.0
120.05262	4.9
124.01637	1.6
125.02355	6.4
127.03943	2.7
129.01820	1.8
131.03415	2.5
131.95372	1.5
134.03621	2.8
135.04449	2.0
137.02328	1.9
141.01930	1.9
143.03413	4.4
144.06657	2.2
145.02888	4.3
145.04948	4.8
151.03915	2.4
155.10754	2.4
159.02902	2.1
160.01552	2.5
161.04437	4.0
161.89886	1.6
163.03934	65.5
163.06027	3.9
164.04419	3.4
165.01828	2.6
167.29787	2.0
173.04608	2.1
175.03963	2.7
193.04970	2.5
201.14847	2.9
214.85498	1.6
271.18875	2.5
293.18790	1.8
329.16028	6.7
330.16299	2.0
359.27945	11.5
426.23108	1.8
439.12369	5.3
457.13449	14.6
485.30789	2.0
503.32321	9.9
521.33405	16.3
522.33447	2.0
623.23608	6.0
665.37512	91.9
666.37885	16.1
683.38580	54.3
684.38733	6.9
725.30261	4.1
725.39771	10.5
769.28821	23.4
770.30023	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	769.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.4
57.03331	3.2
59.01253	44.4
62.71441	1.3
62.97300	1.2
68.99676	2.7
69.03338	1.6
71.01256	26.2
72.99191	6.9
73.02822	2.3
75.00754	22.1
78.95807	1.5
83.01258	1.4
85.02824	27.7
85.03339	1.5
85.25365	1.1
87.00754	10.2
89.02311	5.1
93.03321	1.3
95.01269	6.8
98.20551	2.8
99.00760	11.6
99.04400	3.5
103.00239	2.5
111.00764	2.0
113.02335	25.0
115.00262	2.8
116.92746	13.3
117.01835	3.7
117.92761	1.5
121.06527	1.5
129.01840	2.1
163.03880	1.2
165.12810	2.2
175.02419	2.3
189.12767	4.0
201.11263	2.0
205.07100	3.2
207.13905	5.6
209.11781	4.3
246.42667	1.2
249.06163	13.3
267.07199	17.8
300.02982	3.4
309.08167	2.7
364.74582	1.3
433.07574	2.9
455.68488	1.4
457.20654	4.3
459.19019	1.9
501.19482	2.5
519.20551	4.6
593.24567	5.6
634.57751	1.2
655.57764	1.6
751.26776	5.8
769.27753	100.0
770.28192	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.6
60.99178	16.9
71.01254	0.9
71.57748	0.4
72.43733	0.2
72.99176	0.8
75.00745	0.5
81.03303	0.4
83.04896	0.7
85.02833	0.9
87.00745	1.3
88.00280	4.3
88.01119	0.3
88.63470	0.2
88.98678	100.0
89.02314	5.0
89.86919	0.2
89.99008	0.7
90.01842	0.5
93.03345	0.3
96.05109	0.2
96.95890	0.5
98.02338	0.2
99.00751	0.3
101.02335	0.6
105.05668	0.2
113.02337	0.4
119.04917	0.3
133.02831	0.2
134.03610	0.3
135.04396	0.3
137.02316	0.4
150.03133	0.3
151.00177	0.3
160.03979	0.3
195.06538	0.3
224.17601	0.3
225.16005	0.8
451.32562	0.4
673.46777	0.4
675.48358	0.7
677.49957	1.1
691.47711	0.4
707.48724	0.8
708.48810	0.4
767.26569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.1
61.10728	0.2
62.50010	0.3
63.02269	0.7
65.00205	0.8
69.48913	0.3
69.49737	2.4
71.01242	0.9
72.99179	0.3
73.02806	0.5
75.00753	0.3
76.03938	0.3
82.76093	0.2
83.01266	0.8
85.02810	0.4
89.02306	0.3
93.03337	1.1
96.95901	0.3
98.19810	0.6
99.00777	0.4
101.02300	0.7
102.74254	0.3
107.01269	1.2
113.02341	0.4
117.03381	0.4
119.04922	1.7
120.91409	0.3
132.02066	1.2
133.02776	0.3
134.03625	0.7
135.04424	0.6
137.02318	0.4
143.04912	0.3
144.74025	0.3
145.02809	0.4
151.00259	2.4
154.04193	0.4
155.04968	0.4
159.04398	0.5
160.00381	0.4
160.01591	4.2
161.02393	1.2
163.00305	0.3
163.03877	1.1
164.01056	0.4
169.01346	0.4
169.06436	0.5
175.03922	3.5
179.03496	0.4
183.04474	0.7
185.05965	0.6
187.03883	0.7
193.04988	0.4
211.03903	0.9
213.05516	0.5
227.03455	5.2
229.04944	0.8
239.03470	0.5
241.04901	0.5
255.02979	12.0
256.03470	1.3
257.04602	0.5
283.02466	9.3
284.03253	9.3
285.04034	100.0
286.04419	6.0
299.05573	5.0
323.07706	3.3
327.05038	0.5
337.09106	0.5
431.09836	5.6
432.09778	0.5
440.95688	0.3
471.48703	0.3
622.13239	0.7
623.14105	22.6
624.14337	3.0
665.37244	0.8
683.38641	0.4
769.19666	0.6
769.33850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	16.2
59.28466	1.1
71.01246	4.1
71.57027	1.0
78.95768	1.5
78.98457	1.6
79.95629	3.1
80.96394	18.3
82.95988	3.1
85.02843	1.5
94.97966	4.5
96.97556	1.3
101.02306	2.8
113.02312	2.2
120.77238	1.1
125.02346	1.6
134.97421	1.5
148.99046	2.4
152.98521	1.8
164.45514	1.1
164.98573	3.0
183.13788	6.8
193.12242	1.6
211.13341	100.0
212.13681	4.2
225.00716	6.3
228.98883	1.4
235.08217	1.6
253.09279	7.1
255.23384	2.4
276.32693	1.3
277.21719	56.0
278.22061	3.8
447.22235	6.9
723.39722	2.6
767.41754	22.8
768.41956	3.6
786.91766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12481	2.6
55.38157	2.7
55.38426	2.3
57.03312	3.3
59.01254	17.3
60.99174	14.8
61.98703	11.0
65.44002	2.4
71.01258	9.5
72.99184	66.6
82.20048	2.9
83.04935	3.2
83.89992	2.4
85.02840	3.8
87.00758	5.8
88.98688	67.8
89.02321	17.8
89.99006	5.5
90.99091	5.0
91.00239	7.7
93.03445	2.9
95.99186	2.4
97.02847	3.8
98.20596	4.7
99.62261	2.9
101.02325	7.3
101.46883	2.8
109.06496	4.3
111.08038	6.4
113.02337	4.5
125.02353	2.7
150.43132	2.4
167.78906	2.4
169.12201	3.2
171.10165	8.5
177.12778	18.4
195.13861	100.0
196.14131	5.0
197.11768	26.9
209.11707	7.2
211.13396	8.7
221.11797	21.6
223.13298	6.7
227.12933	2.8
229.54898	3.2
235.08119	6.2
239.12865	20.5
253.09254	9.4
268.37256	2.7
291.19775	14.0
293.21304	3.8
300.69543	2.8
307.19382	3.6
309.20743	31.9
325.20291	5.5
451.52048	2.7
475.21890	7.6
517.76587	2.9
767.42297	86.7
768.42493	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	767.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81263	3.5
59.01043	2.8
59.01261	32.2
61.03099	3.4
61.98700	11.6
66.01389	3.3
69.03333	3.7
71.01254	22.2
77.94366	3.6
78.14882	3.5
85.02811	6.5
89.02318	12.6
95.32336	3.8
97.02851	4.0
98.19842	9.4
101.02327	13.0
111.08021	10.2
113.02314	12.1
119.03410	3.5
197.11818	40.6
205.04915	3.9
211.13370	7.2
235.08139	5.6
263.19849	3.9
284.42999	3.6
291.19714	17.4
309.20737	100.0
310.20932	9.8
341.28067	4.2
397.13562	31.6
398.13934	4.6
415.14554	37.8
415.58963	4.9
443.62515	4.0
449.14398	4.0
767.37555	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	767.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99607	3.7
58.81985	3.9
59.01252	31.0
61.98704	20.7
69.21963	4.6
69.44090	27.3
69.44508	11.0
71.01253	22.6
73.02805	5.4
83.04887	4.1
85.02842	5.0
89.02326	21.4
95.01260	4.5
97.02844	10.3
101.02332	13.1
111.11402	4.9
113.02354	6.0
119.03394	8.0
125.02332	4.6
171.10233	7.0
190.02982	5.3
227.65988	4.2
235.08333	5.5
240.66504	4.7
291.19669	21.9
309.20752	100.0
310.21170	6.9
388.47296	5.3
397.13516	42.5
415.14633	32.3
589.88025	5.3
667.93335	5.7
767.36066	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	767.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.8
55.91413	1.2
57.03321	7.4
59.01248	13.2
61.98697	2.6
69.44559	12.1
71.01263	27.6
72.99200	7.4
73.02832	3.0
75.00745	33.4
83.01263	2.7
85.02830	35.0
86.03182	1.7
87.00747	10.2
89.02325	4.2
95.01266	4.4
98.20591	2.8
99.00771	13.2
101.02325	5.9
111.00783	1.9
113.02338	30.0
115.00288	3.8
117.01778	2.2
125.02362	2.0
142.99780	2.6
159.13451	1.8
161.04483	1.6
175.02409	4.8
195.13863	4.1
197.37531	1.5
209.11710	2.3
211.13301	4.5
223.13412	3.3
264.14438	1.4
290.93729	1.4
293.21262	17.2
343.89288	1.5
410.91608	1.8
422.95111	1.8
435.23325	1.5
540.74841	1.7
542.21289	1.5
674.09412	1.5
767.42212	100.0
768.42700	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	767.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.7
58.85589	1.8
59.01254	13.3
61.88882	1.4
61.98713	17.6
71.01258	10.1
71.58063	1.6
72.99183	2.2
73.02824	3.1
75.00751	3.2
78.95793	2.1
80.96394	2.9
83.01271	1.9
85.02838	6.2
87.00768	2.8
89.02318	2.3
89.09393	1.5
93.03351	3.1
95.01299	1.4
96.95903	1.6
97.02859	1.8
99.00774	2.7
101.02328	3.7
105.00002	2.0
113.02357	3.1
119.01288	3.8
121.02863	3.3
123.04391	1.5
125.02396	1.9
128.57712	1.5
134.03609	1.9
135.04370	2.0
137.02423	1.4
147.00780	4.3
149.02348	11.8
151.03949	1.7
163.03912	4.5
164.04707	13.1
165.01842	2.5
174.01607	2.6
175.00317	32.9
175.03937	1.9
179.07028	3.3
181.08696	1.4
190.02660	74.7
191.03174	3.5
205.05022	76.7
206.05386	4.0
208.03603	1.8
223.06067	17.0
237.05540	1.3
253.08768	1.9
263.07156	4.0
266.62189	1.5
281.08282	9.1
291.06622	2.5
292.07431	1.5
293.08224	4.9
296.10669	2.0
308.10532	3.1
309.07697	35.8
309.20718	4.6
310.07959	3.4
323.09323	9.7
324.10022	23.6
325.10568	3.3
339.12384	30.1
340.12613	2.4
344.46198	1.5
352.08029	1.7
367.10367	100.0
368.10788	6.8
415.14731	3.1
707.23309	2.2
723.37946	3.2
767.25952	17.2
767.37732	5.6
768.25677	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	767.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.8
59.01254	50.2
64.27301	2.0
69.03345	3.2
69.55219	15.5
71.01259	31.3
72.99178	7.5
75.00757	20.3
85.02825	25.9
87.00764	11.5
89.02334	6.1
91.00196	2.0
95.01287	6.2
99.00758	13.0
103.00311	2.7
109.02944	2.5
113.02342	34.8
115.00262	2.6
117.01827	2.3
119.04893	1.9
125.33557	1.7
129.01863	2.3
151.00328	4.3
161.13226	2.1
163.11182	2.8
175.02420	2.3
187.11218	2.9
191.05542	4.0
205.07016	2.3
205.12425	2.2
223.13414	2.8
231.05141	5.1
249.06203	15.4
267.07214	20.9
270.30359	1.8
301.03464	2.1
309.08221	2.2
457.17346	2.7
490.70889	2.1
591.22687	5.8
624.07318	2.2
749.25226	6.9
767.26306	100.0
768.26691	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	765.429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20159	0.2
59.01258	8.9
59.38659	0.3
61.42066	0.2
61.98693	1.1
71.01253	2.2
72.99181	0.8
73.02811	0.3
75.00736	0.3
78.95760	0.3
80.96399	0.5
83.01266	0.4
85.02814	0.7
87.00771	0.4
88.84069	0.3
88.98697	0.5
89.02329	1.9
95.01291	0.4
95.25223	0.3
101.02326	1.9
109.83001	0.3
113.02341	1.4
119.03387	0.7
139.32848	0.2
152.97968	0.3
161.04468	0.9
167.10703	0.3
167.14252	0.3
171.10162	0.4
174.01595	0.4
179.05605	0.3
183.13869	6.0
193.12242	1.6
211.13364	100.0
212.13721	5.8
235.08215	1.5
238.89589	0.3
253.09277	3.4
266.38120	0.3
309.20346	0.3
387.25302	0.4
397.13504	0.5
420.65680	0.3
429.21240	2.0
447.22372	10.9
448.22839	0.9
468.52750	0.3
597.32635	0.3
623.34344	3.2
624.35303	0.4
641.35681	1.9
642.36023	0.4
655.46222	0.3
679.53406	0.3
765.38635	1.6
765.52411	0.4
766.41052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.5
59.01255	37.0
61.98694	4.4
65.76288	2.2
69.03314	3.4
71.01259	37.9
71.44450	2.9
72.99185	3.9
73.02821	5.7
75.00748	3.4
78.95741	3.8
78.98497	2.1
81.03339	2.6
83.01282	5.2
83.04947	2.2
85.02831	5.6
87.00753	5.1
89.02324	24.0
93.46987	2.2
95.04890	2.8
97.02837	6.2
97.06488	4.4
99.00751	4.6
101.02326	22.5
109.06547	2.1
113.02336	13.2
119.03406	7.1
123.04411	4.2
123.08022	3.4
125.02338	9.6
125.09608	6.2
126.54516	2.7
134.42810	2.6
137.09625	4.0
143.03374	4.4
161.04503	5.1
163.11203	9.1
167.03452	2.5
171.10155	4.3
179.05536	8.0
181.08543	3.2
185.11768	9.5
191.14345	8.9
207.10162	4.7
209.11774	30.4
211.13432	6.6
225.11313	5.6
235.08127	8.8
237.11308	3.1
245.19133	19.6
253.09306	3.4
263.20117	3.0
271.17126	4.5
289.18137	84.8
290.18448	9.0
305.08725	2.5
307.19153	100.0
308.19501	7.7
397.13498	66.2
398.13947	6.1
415.14618	49.9
416.14954	5.3
472.07843	2.7
607.26135	3.8
705.33789	8.2
763.33417	2.9
765.30695	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	765.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13169	3.1
55.22941	3.2
57.03334	6.4
59.01257	60.7
61.98711	7.3
69.03316	4.3
70.34094	10.5
71.01258	58.7
72.99194	12.7
73.02824	7.5
75.00771	11.6
80.96378	3.6
83.04886	3.4
85.02842	11.6
87.00764	12.8
89.02316	40.8
97.02845	10.2
97.06475	10.3
101.02336	26.5
109.02850	3.6
111.07993	4.7
112.32620	3.1
113.02306	17.1
114.63888	3.3
114.97129	3.5
119.03353	10.2
125.02338	15.2
125.09591	5.3
143.03473	4.9
151.11208	10.2
161.04485	8.6
165.12791	16.5
169.12190	5.1
171.10252	4.2
179.05611	5.5
179.10722	5.8
181.12274	10.6
183.13831	8.1
188.57355	4.3
191.10626	10.5
203.42435	3.5
209.11789	57.8
211.13405	9.8
227.12846	24.7
235.08185	7.8
245.19121	10.5
263.07709	3.7
263.20129	14.8
289.18143	20.2
290.18381	4.0
307.19159	100.0
308.19379	8.9
345.73911	3.5
370.39307	3.4
397.13443	61.1
398.13873	6.2
415.14612	33.3
603.25739	11.3
607.26129	42.2
608.26666	4.5
705.33148	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	765.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.0
59.01257	69.9
61.98701	49.6
66.75354	3.7
69.03336	4.2
70.64932	4.8
71.01260	53.8
72.99183	10.1
73.02818	8.0
75.00742	8.7
77.74413	3.7
80.96378	4.0
83.01266	8.3
85.02825	17.3
87.00765	13.0
88.98688	7.3
89.02327	35.0
90.85231	3.8
96.95887	21.1
97.06454	7.1
98.19808	13.6
99.00774	8.3
101.02329	36.2
105.06581	3.9
109.02779	4.0
110.68782	4.2
111.04432	8.3
113.02325	17.2
115.84106	4.3
119.03378	14.7
119.08574	6.2
123.08074	5.8
123.37498	4.6
125.02328	7.5
125.09627	14.2
127.28604	4.0
137.09666	7.1
137.26198	4.4
145.04933	5.1
161.04495	4.2
163.07605	7.2
163.11189	9.4
165.12733	6.3
168.23502	4.4
171.10132	8.9
179.05548	14.8
181.08588	28.5
185.11754	7.5
191.14464	7.4
199.13354	4.5
207.10175	5.5
209.11783	52.1
211.13318	8.9
227.12767	8.2
235.08185	9.1
240.11250	4.2
245.19109	19.0
253.09329	4.2
263.20020	4.8
273.44821	4.9
275.15054	7.6
280.87112	4.7
289.18091	88.9
290.18408	9.1
307.19147	100.0
308.19446	8.8
311.15195	4.6
347.23398	4.2
366.54657	4.8
397.13544	53.4
415.14633	43.3
428.45950	4.5
533.29327	23.1
538.91962	4.3
545.07990	5.3
607.26215	9.8
705.33154	10.5
765.38647	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	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46275	0.3
59.01247	1.0
60.99178	17.3
61.98696	0.7
63.86785	0.3
65.67949	0.3
65.92193	0.3
71.01250	0.7
78.95762	0.4
80.96394	0.4
87.00763	2.5
88.00282	3.5
88.98680	100.0
89.02316	17.3
89.99022	0.7
101.02319	0.5
102.21800	0.4
122.21854	0.3
126.13458	0.3
133.99242	0.3
209.11909	0.4
232.27556	0.3
277.21689	0.7
397.13641	1.3
415.14499	0.5
571.48987	0.3
598.35339	0.3
679.87677	0.4
765.40948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
60.99180	19.1
61.98679	0.3
70.86559	0.6
71.01257	0.5
72.99194	0.3
79.03344	0.2
79.68571	0.2
87.00758	4.2
88.00285	4.3
88.00841	0.3
88.01095	0.5
88.98684	100.0
89.02319	24.2
89.99033	0.9
90.02671	0.4
98.70100	0.2
101.02325	0.5
140.28024	0.2
144.59702	0.2
183.66664	0.2
211.13449	0.4
226.21262	0.2
277.21716	1.1
278.21765	0.3
328.36932	0.2
397.13580	1.6
415.14581	0.4
418.70212	0.2
479.61383	0.2
734.22473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	10.7
57.85893	5.5
59.01259	85.1
59.01545	9.8
61.98702	19.1
70.46902	10.8
71.01262	66.5
72.99191	16.5
73.02821	9.9
73.36279	5.3
75.00763	38.4
83.01262	13.0
85.02838	43.8
87.00761	20.3
89.02330	23.7
93.03343	7.8
96.95879	8.5
98.94585	7.4
99.00759	14.9
101.02328	32.3
109.06491	8.8
113.02325	30.7
119.03445	8.3
119.04946	8.5
125.02287	7.1
129.82509	5.5
131.03357	10.8
136.03934	9.6
137.02347	14.0
161.04500	6.8
171.10214	8.7
174.01599	6.9
179.07031	6.2
289.18149	95.9
307.19226	7.4
329.16016	8.0
337.11304	9.2
397.13379	40.5
415.14514	22.9
429.97031	8.0
721.36603	100.0
722.36584	17.0
765.35461	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	765.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.5
59.01252	33.8
69.30366	18.1
69.30763	3.3
71.01254	36.8
72.99196	7.7
73.02837	9.0
73.64745	2.0
75.00748	31.9
81.06622	1.6
83.01263	7.4
85.02828	34.7
87.00769	11.3
89.02326	5.5
92.81192	2.0
93.03343	2.3
95.01261	2.9
96.95882	4.8
97.02817	2.4
99.00766	12.4
101.02337	10.9
113.02338	33.9
115.00250	3.6
117.01783	3.3
125.02341	2.2
127.01385	2.1
129.01851	2.8
131.03368	4.7
145.24620	2.0
146.03563	2.3
153.01898	1.8
163.03955	2.4
165.01845	2.0
165.05580	3.6
173.04446	13.2
175.02376	3.0
191.05515	3.0
194.22107	1.8
195.06496	4.0
215.05380	2.1
227.79665	1.7
233.06689	10.6
235.04448	3.1
273.03854	1.9
300.02759	2.7
364.25803	1.7
380.10611	1.9
403.36771	1.9
444.24219	2.0
452.98734	2.4
519.17047	5.7
631.26184	20.0
632.26581	4.2
661.27020	6.3
685.27191	3.9
721.29291	100.0
722.29779	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	763.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70803	1.4
66.31873	1.2
70.24654	5.9
71.01264	8.1
78.98461	4.7
79.58837	1.2
79.95602	12.9
80.96394	78.2
85.02809	3.0
94.74393	1.3
94.97969	16.7
95.73564	1.2
98.20506	1.5
99.43916	1.6
101.02334	2.6
106.97934	3.5
122.97442	5.7
125.02352	4.3
134.97467	5.0
136.99075	2.0
148.99026	6.3
152.98553	8.4
158.28394	1.5
164.98532	13.7
206.99622	3.8
225.00699	22.8
225.11316	1.6
255.23380	1.4
288.49014	1.3
399.59406	1.5
507.15594	2.7
537.27808	2.5
578.51587	1.5
582.77417	1.5
763.39410	100.0
764.39636	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	765.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03358	2.0
59.01239	3.7
61.29037	2.1
63.02274	2.7
65.00199	9.9
67.07939	2.1
71.57381	2.6
73.99837	2.2
77.48666	2.3
77.61703	2.4
83.01250	5.8
86.74178	2.2
95.01288	3.3
107.01274	15.1
109.02837	50.7
115.00288	5.9
123.00799	2.6
124.01579	3.9
125.02358	9.5
128.20245	2.6
135.00801	4.8
139.00275	3.6
151.00281	47.0
152.01045	11.6
153.01854	19.6
161.02420	3.7
163.00288	45.0
169.01392	5.8
175.03934	3.1
178.99773	44.0
180.00163	3.9
190.99782	34.8
203.03465	3.8
206.99300	25.8
208.00041	11.5
211.03802	3.0
227.03499	16.2
231.03069	3.1
243.02846	5.6
245.04446	4.0
255.02939	22.3
256.03531	2.6
271.02496	24.9
271.61868	2.4
273.04001	5.9
280.75879	2.3
299.01901	17.3
300.02750	39.1
301.03552	31.8
302.04108	2.8
317.03000	100.0
317.06705	4.9
318.03445	9.8
334.19678	2.6
394.98163	2.3
447.09256	62.0
448.09537	7.1
463.08871	3.8
470.26978	2.8
765.25159	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	761.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69754	11.2
64.26669	9.6
65.14100	12.7
70.25542	15.4
70.25948	27.8
80.96397	38.7
94.97968	16.7
120.94236	9.9
164.98502	14.2
171.89865	10.9
225.00757	16.1
402.91721	10.6
580.84332	11.9
761.41278	100.0
762.42053	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	763.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
63.02270	4.2
65.00200	11.6
71.57906	1.1
71.58275	0.8
83.01265	5.8
93.03346	0.9
107.01285	20.2
109.02849	0.9
119.04940	1.6
125.02377	1.5
145.06572	0.7
151.00290	100.0
152.00684	2.7
163.00258	1.6
169.01341	5.4
178.99797	90.7
180.00136	2.7
203.03258	1.1
206.99223	0.8
215.03494	1.5
243.02980	2.0
255.02950	1.6
259.02408	1.3
271.02518	5.9
287.02014	2.5
299.01978	2.1
300.02744	2.6
301.03464	4.3
315.01471	24.8
316.01981	1.8
445.07782	0.9
447.09320	6.0
486.47043	0.7
708.34229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	5.8
55.98873	2.6
57.03310	11.0
58.00452	3.8
59.01254	83.8
63.60809	3.0
69.03336	8.5
70.59465	2.7
71.01257	89.5
72.99186	16.3
73.02827	15.2
74.61253	2.7
75.00745	38.5
75.32247	2.7
83.01253	8.3
85.02825	46.3
85.60768	2.8
87.00742	13.2
89.02308	36.3
95.01251	6.6
96.95898	13.2
98.19806	6.3
99.00776	19.6
101.02325	19.7
109.02839	5.9
111.04403	34.4
113.02341	34.7
117.01828	6.5
117.03357	5.5
119.03404	4.2
119.04900	3.8
119.08545	6.7
121.10113	8.0
129.01839	3.3
131.03477	3.2
134.03578	3.9
138.67445	3.4
145.02837	21.8
151.00269	4.9
160.01585	5.9
161.02261	3.8
161.04536	3.3
161.13286	3.2
164.04652	5.0
165.09155	6.5
167.10669	5.0
175.03941	7.3
177.54361	3.4
181.08585	7.4
187.11124	4.7
190.02679	3.4
191.05560	7.0
193.04968	4.6
209.11728	7.1
210.68764	3.0
220.65479	3.5
235.06099	3.9
249.06111	20.8
253.13283	4.4
255.02985	5.0
256.16464	3.2
267.07297	8.6
271.02274	7.3
297.58252	3.5
300.02744	13.3
301.03571	4.0
307.19083	6.0
315.14478	13.4
325.20380	3.7
327.14536	6.7
327.82462	3.1
329.15988	5.9
329.70190	3.1
337.09262	4.7
345.15573	6.8
367.62924	3.1
417.17419	5.6
436.66498	3.3
560.15680	6.7
579.23102	14.8
581.29767	12.1
600.24573	3.5
613.28717	3.3
643.29767	31.8
644.29938	5.9
705.34320	3.9
731.31818	17.9
743.31409	100.0
744.32050	18.7
761.32605	72.1
762.32556	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	761.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62484	3.2
53.63161	2.6
55.01757	4.1
57.03330	5.9
58.00460	5.9
59.01254	76.9
59.06273	2.9
61.98700	26.0
68.05185	2.7
69.03325	4.0
69.28690	31.4
71.01259	83.4
71.04914	2.5
72.01585	2.8
72.99178	7.6
73.02811	15.8
75.00740	12.3
78.95789	4.5
81.03322	3.6
83.01265	10.1
85.02831	36.5
87.00748	9.9
89.02321	40.4
96.95882	8.6
99.00762	11.3
99.04428	2.9
101.02303	16.5
107.01294	4.4
108.02007	2.7
109.02823	3.3
110.48578	2.9
111.04411	4.0
113.02335	15.8
116.92738	3.7
117.01810	3.5
119.03350	3.6
119.04886	3.5
119.08551	35.3
121.02836	4.0
121.10082	8.1
125.02339	6.8
125.09586	4.2
131.03448	5.4
134.03584	3.9
135.02905	5.3
151.00296	10.9
160.01534	5.2
161.04462	3.4
163.07571	9.9
163.11220	4.1
165.09138	8.4
167.10638	5.0
171.10176	8.8
174.01704	3.2
175.03894	3.6
178.99820	5.7
181.04967	2.7
181.08646	5.2
183.10246	11.4
193.04935	4.2
201.11227	3.7
208.64536	3.3
209.11746	25.7
210.12177	4.0
225.11333	3.6
227.12866	6.0
301.03497	23.8
309.07947	3.0
309.13312	4.5
315.14401	17.1
327.14532	6.4
327.21664	7.7
613.28839	5.1
625.28668	34.1
626.28851	4.9
643.29755	100.0
644.30005	14.1
743.31250	6.0
761.32288	92.8
762.32831	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	761.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	22.3
67.01763	3.5
68.45937	2.0
71.01253	3.5
71.57672	3.4
72.99173	2.0
83.04893	2.2
85.02816	14.9
87.00784	6.1
93.03334	34.3
111.00794	2.3
111.04408	5.0
115.00256	2.3
116.92768	5.4
119.04910	8.3
127.03850	2.3
137.02303	2.4
143.04938	2.7
145.02927	2.1
155.03435	3.7
157.44608	1.9
163.03906	3.8
173.04491	29.4
176.92018	2.1
191.05554	100.0
192.05836	2.6
211.07581	30.6
212.07924	2.3
214.11902	2.0
230.82668	2.0
233.06651	14.8
237.09404	2.1
265.08734	3.6
327.08878	9.1
483.13214	4.8
501.13763	3.7
657.18176	20.9
675.19250	3.0
717.20496	38.1
718.20673	7.2
782.57526	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	761.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	34.7
67.01760	3.5
69.03307	2.0
71.01257	8.0
71.57803	1.7
71.58173	2.4
75.00768	1.8
81.03342	2.1
82.57906	1.7
83.04910	3.2
84.48828	1.7
85.02811	3.8
87.00751	6.4
89.29741	2.0
89.83533	1.6
92.39342	1.7
93.03331	41.3
96.95890	2.3
101.02329	2.9
109.02840	2.6
111.04400	6.4
113.02307	2.2
117.03362	7.5
119.04916	100.0
127.03928	3.5
132.02058	4.0
133.02849	7.3
134.03618	17.5
135.04416	6.9
137.02347	17.7
145.02853	40.5
146.03207	2.4
149.05896	2.2
150.03151	1.8
151.00291	3.2
155.03479	9.2
160.00389	3.1
160.01595	33.6
161.02371	16.9
162.03004	2.3
163.03918	61.1
165.05452	2.9
173.04485	52.3
174.04825	2.2
175.03938	47.8
176.04311	3.3
177.05464	7.3
178.02554	2.2
179.03403	5.7
179.07011	1.7
191.05545	22.0
193.04999	19.7
215.05605	2.6
221.04436	2.2
227.03450	5.7
233.06572	21.0
235.06004	2.4
255.02965	3.8
271.02466	14.5
284.03259	7.2
285.04013	8.4
299.01944	16.4
300.02515	5.1
301.03464	9.2
314.04312	6.0
315.14560	2.5
319.08218	75.3
320.08533	5.0
323.07678	7.1
329.06516	8.8
337.09256	70.9
338.09467	5.6
339.64868	2.0
361.22095	2.0
379.10391	4.9
379.67532	1.7
380.10294	1.8
431.09891	13.9
433.07285	2.0
481.13559	4.9
489.73865	2.1
501.14044	37.0
502.14267	6.8
506.23199	2.1
538.60895	2.2
541.15631	24.1
542.15662	3.2
629.18945	2.4
657.18268	21.2
675.19293	10.1
696.04224	2.1
717.20355	37.1
718.20697	5.9
748.15491	2.3
761.22083	8.3
794.65430	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	761.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.0
57.03313	1.3
59.01255	24.9
61.98700	1.3
69.03342	1.5
69.56699	7.3
71.01254	11.8
72.99203	1.7
73.02808	2.0
75.00764	2.9
81.03370	1.1
81.66589	0.9
83.01263	2.1
85.02829	7.1
85.60703	0.8
87.00751	1.0
89.02314	5.4
93.03349	2.9
95.01270	1.1
96.95908	4.1
98.19716	0.9
99.00758	2.0
101.02349	3.0
109.02840	1.2
111.04387	2.4
113.02345	5.1
113.70760	0.8
114.78318	0.8
119.03444	1.6
119.04940	1.6
119.08598	1.0
121.02847	5.4
123.00771	3.5
124.01583	2.2
125.02379	2.4
125.09656	0.9
134.03619	3.1
135.04428	1.3
136.01590	1.4
137.02359	1.9
141.97459	0.9
145.02867	3.1
147.04422	2.6
149.02380	1.1
150.03123	2.1
151.03992	2.0
152.01048	1.3
152.99559	1.1
160.01602	1.3
161.02332	2.3
162.03110	1.3
163.03958	7.0
163.07585	1.0
165.01869	1.1
165.05536	2.0
166.02602	0.9
167.03366	1.6
169.08629	4.0
171.10190	1.2
173.04614	1.0
174.03169	2.3
175.03932	18.1
176.04625	2.7
177.05556	2.0
179.03419	1.7
180.04187	13.4
181.04823	1.2
181.08647	3.6
188.04767	3.5
189.05502	7.4
190.06303	20.8
191.05536	6.1
191.07085	13.7
193.05003	14.1
194.05804	8.1
195.06583	2.0
203.07050	2.0
205.08672	19.8
206.08989	1.0
207.06621	5.9
208.07347	14.0
209.04605	1.3
211.13426	1.0
223.09741	1.3
235.06053	2.0
249.05807	1.0
253.08688	1.2
255.02940	1.2
263.07040	1.3
267.07065	1.7
269.08154	2.5
270.70865	0.9
271.02469	3.0
272.07013	1.2
279.06531	1.8
281.08261	3.9
285.04019	1.2
287.09232	7.1
294.08963	2.0
296.10385	1.3
297.07675	9.8
298.08249	1.4
300.02615	4.4
309.07709	13.6
309.11407	3.9
310.07831	1.2
312.10098	8.2
313.10187	1.1
313.13315	1.0
315.14505	2.2
323.09262	3.4
324.10049	9.4
327.12363	39.5
327.21692	1.3
328.12845	3.9
329.15979	1.6
339.12372	41.4
340.12695	3.1
344.12595	5.7
345.13058	1.2
359.15030	100.0
360.15347	11.3
373.16623	4.2
373.21310	0.9
375.14453	1.7
389.16138	12.9
390.16504	1.2
477.32318	0.9
585.23761	1.0
599.25012	32.6
600.25250	4.4
643.29877	3.4
675.51270	1.1
743.31763	2.7
761.32257	8.4
762.33130	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	760.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.5
61.98704	2.5
65.52333	0.8
70.69538	1.0
70.69911	2.3
71.01254	7.6
73.02831	2.1
78.95785	1.4
81.03335	1.2
81.44621	0.8
83.04897	1.4
85.02827	4.5
87.00785	0.9
89.02306	0.8
89.36729	0.6
92.04939	100.0
93.05273	3.0
95.84498	0.7
97.02858	0.7
99.00787	1.1
99.04409	1.1
101.02329	2.1
116.04971	5.3
121.10145	5.5
123.14758	0.7
132.04477	1.1
136.03949	94.2
137.04285	3.5
143.04584	0.7
165.09143	4.4
167.10687	2.6
171.10175	6.9
172.10507	1.6
178.05072	3.9
197.11726	0.9
211.13223	0.8
252.15649	0.9
253.09418	1.1
309.20419	1.4
310.20865	1.0
311.15021	7.1
329.16165	7.4
448.19681	3.7
477.24814	2.6
525.26825	0.7
623.30731	21.5
624.31122	3.1
760.35449	21.9
761.35632	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	761.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04243	1.4
54.22891	1.4
54.99170	1.5
59.01254	44.7
64.96650	1.3
67.01746	2.6
70.97090	1.2
71.01242	2.3
85.02826	6.3
87.00770	2.2
93.03343	17.3
98.19780	3.5
99.04340	1.3
106.39700	1.3
108.02039	1.8
111.04403	3.0
114.93389	1.3
117.03313	2.1
119.04922	10.0
122.24859	1.5
127.03909	1.6
137.02327	4.7
145.02850	8.6
152.01033	3.1
153.17496	1.4
153.66678	1.2
155.03409	5.7
163.03917	8.0
163.82719	1.6
168.28688	1.3
173.04482	48.7
174.04857	1.6
191.05559	100.0
192.05881	3.5
211.07697	1.5
233.06656	91.3
234.07005	4.8
319.08173	11.4
337.09317	21.3
338.09683	2.1
338.39246	1.5
376.40598	1.4
379.10376	11.8
468.76639	1.4
712.43890	1.4
717.20032	3.2
752.02307	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	759.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16714	2.2
59.01253	26.1
61.98690	3.3
71.01252	15.3
71.58473	3.5
72.99172	3.7
73.02837	2.8
79.81506	2.1
83.01272	2.2
85.02827	9.6
87.00773	2.7
88.98702	5.9
89.02332	8.1
93.03353	2.1
96.95901	5.1
97.02841	2.8
99.00742	2.9
101.02329	7.3
109.02826	2.8
109.86459	2.3
113.02316	6.2
121.02850	4.3
122.05984	3.1
125.02363	3.6
127.90133	2.4
134.05968	4.8
137.02310	3.2
140.07068	3.2
150.05565	2.3
150.09117	5.1
164.07124	3.6
165.01884	2.3
168.86224	2.2
181.08632	11.5
195.06528	2.3
200.10844	5.2
201.11295	3.2
209.11729	5.1
211.13348	5.9
227.03525	11.5
237.06723	2.9
240.04265	2.7
241.14543	2.7
251.08203	4.1
255.02919	17.0
256.03577	3.9
263.08234	9.2
264.08914	9.3
265.09741	16.1
271.02405	2.8
273.12515	4.6
277.09909	20.4
278.10629	10.4
279.11353	8.5
283.02603	4.1
284.03244	24.0
285.04022	31.7
286.04190	3.4
291.11337	12.0
293.12982	3.5
294.13678	5.1
299.02322	2.9
299.05569	9.7
301.03653	2.8
301.11615	3.1
301.35901	2.2
303.13550	7.3
307.14511	15.9
321.16147	37.0
322.16626	2.3
329.15936	3.8
335.17621	5.9
349.19254	3.8
351.09756	2.1
351.13544	14.6
351.20746	3.8
365.15015	34.9
366.15704	5.8
379.16617	16.7
423.92883	2.4
438.17740	5.0
439.18747	11.3
532.21240	10.7
546.22839	3.7
577.24353	17.1
578.24921	5.4
641.31952	5.7
699.30151	24.0
700.30566	3.4
715.22345	5.0
741.31470	100.0
742.31903	16.6
759.32770	38.1
760.33478	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	759.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32747	1.6
56.08322	1.4
59.01262	8.6
61.98701	2.8
63.01199	1.3
64.62693	1.4
69.54128	6.3
69.54554	3.9
71.01253	3.9
78.95787	2.3
85.02808	2.4
87.00767	1.5
97.02854	1.4
101.02363	2.9
113.02325	1.8
125.09612	1.5
161.04520	1.4
171.10184	100.0
172.10497	4.5
179.77251	1.3
181.09564	1.4
197.11781	4.5
209.11719	2.6
210.12097	2.2
211.13351	2.9
229.14525	2.7
235.08150	5.7
253.09290	9.1
285.42352	1.4
291.19693	16.6
292.19720	1.5
295.22839	1.8
300.02771	1.7
309.20731	34.9
310.21091	4.0
311.22287	1.4
365.94336	1.3
407.19086	2.6
545.30414	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	759.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86283	2.7
57.03304	8.2
59.00996	2.7
59.01257	40.6
59.42996	2.4
69.73427	16.9
71.01260	48.5
72.99168	10.8
73.02824	4.4
75.00361	3.4
75.00752	53.8
82.68034	2.3
83.01272	7.3
85.02345	3.8
85.02827	52.2
87.00762	14.6
89.02326	17.3
95.01254	7.2
97.02840	2.5
99.00758	19.0
101.02312	9.2
103.00259	4.1
112.01564	14.6
113.02338	41.0
115.00236	5.4
117.01790	4.0
119.08591	13.3
133.06458	2.4
139.03836	3.8
151.00255	6.3
153.01891	2.3
161.04475	3.1
163.07564	2.7
173.04401	2.4
175.02425	3.1
178.99786	4.5
196.09956	2.4
203.07069	4.0
225.54832	2.6
227.55109	2.6
227.85562	2.2
243.02893	2.9
255.02853	8.0
271.02545	13.0
300.02817	25.0
301.03528	22.3
313.12918	6.8
427.12354	10.8
433.07819	34.8
434.08249	3.3
445.13535	29.6
655.17450	3.0
711.25055	2.7
729.25995	24.8
730.25940	5.2
741.26129	34.1
742.25836	5.1
759.26990	100.0
760.27606	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	759.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.5
61.98730	0.8
68.81252	0.8
69.86481	3.8
71.01254	8.8
72.99183	1.4
75.00745	2.6
78.19228	1.1
80.68738	1.1
85.02808	4.4
87.00740	1.6
88.98687	3.3
89.02342	4.4
95.01313	1.4
96.95898	3.3
97.02862	1.0
98.19860	1.3
99.00751	1.0
100.64082	1.1
101.02308	2.7
109.02851	2.7
113.02356	2.5
119.03397	1.3
121.02843	2.6
123.00767	1.1
123.04380	1.6
124.01566	1.0
125.02369	1.4
134.03658	2.0
136.01566	49.5
137.02394	6.6
139.03929	1.4
145.02841	1.0
145.09697	1.3
149.02368	0.9
149.06009	0.9
151.00302	10.7
151.03920	64.6
152.01067	1.2
152.04391	3.1
160.01535	1.7
160.05270	1.3
163.03966	2.0
165.01859	1.0
166.02644	32.5
167.03299	1.9
175.02541	1.1
175.03857	4.8
175.07594	1.0
176.04562	1.2
177.01880	2.0
177.05580	1.3
179.03412	0.9
179.05472	1.0
181.04993	49.7
182.05316	1.4
187.03961	1.3
189.05455	2.1
190.02649	1.3
190.06290	2.7
191.03447	2.7
193.05019	2.3
205.05031	2.6
205.08711	2.1
206.05734	2.6
211.13377	1.0
219.06575	1.1
221.08168	5.6
227.03436	2.8
235.06064	1.0
255.02966	3.1
271.10312	0.8
284.03091	2.1
285.04056	6.9
297.07825	2.0
299.09409	1.3
309.07755	2.6
324.09937	1.8
327.08694	1.1
329.10257	2.5
339.12302	1.5
341.10248	1.1
342.07394	0.9
342.11050	5.9
357.09683	14.0
357.13470	32.3
358.13861	3.0
365.56573	0.9
369.13397	2.5
371.15076	2.3
372.12024	11.6
373.12469	1.9
387.14505	100.0
388.14731	7.4
401.16180	1.9
567.21991	8.7
568.22528	1.2
583.35718	2.2
597.23450	32.0
598.23334	5.2
759.26373	2.9
759.38959	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	759.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22088	0.3
54.24060	0.3
58.31137	0.3
59.01259	0.5
61.98706	0.5
71.01269	1.5
71.57691	0.3
72.39404	0.3
72.99162	0.3
73.02823	4.8
75.00748	0.3
78.95778	1.1
99.00773	1.6
99.92471	8.5
100.92458	0.5
114.93314	1.7
115.00291	0.8
116.92757	100.0
117.01839	7.4
117.91929	0.4
117.92774	4.4
118.02191	0.3
138.59033	0.3
139.92308	0.3
152.99532	0.6
171.10193	0.7
277.21756	1.4
278.22119	1.2
447.21783	0.3
677.20264	0.8
699.24164	0.3
758.44379	0.3
759.45691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.2
59.01268	8.2
68.99699	6.2
69.51955	9.4
69.52369	2.6
71.01253	6.1
72.99192	1.7
75.00750	3.3
81.03334	15.8
81.13758	1.5
81.60236	1.4
83.01257	11.4
85.02834	5.8
87.00771	1.5
89.02324	1.5
91.32913	1.4
93.03335	9.5
95.01293	5.0
95.04879	8.1
97.02842	10.4
99.00755	2.5
99.04422	4.2
101.02332	1.8
102.95939	1.5
107.04923	3.2
108.02061	3.3
109.02845	6.5
111.04411	5.9
113.02336	4.4
113.14204	1.6
115.00262	1.4
119.04918	35.6
121.02843	15.6
121.06502	2.2
122.03179	3.0
123.00833	1.8
123.04420	27.5
125.02325	19.9
135.04391	8.9
136.01503	1.6
137.02350	12.7
137.06000	11.3
138.03090	2.3
139.03934	16.3
141.05551	1.7
147.04402	4.0
149.02356	4.0
149.06062	2.4
150.03152	2.6
151.03951	6.5
155.03516	1.9
159.04442	2.3
161.06027	2.0
163.03932	6.9
164.04683	4.8
165.01845	6.0
165.05458	10.1
166.02606	7.7
167.03413	31.9
173.04466	2.7
177.01907	3.3
177.05518	4.7
178.02615	2.2
179.03442	19.3
179.07039	1.6
180.04138	2.8
181.04930	3.2
189.05545	5.8
191.03438	4.9
192.04172	1.9
193.04973	3.5
194.05797	1.9
197.04489	4.9
207.02902	7.4
207.06497	2.1
209.04507	27.1
210.04863	2.0
219.02911	4.7
220.03654	2.5
221.04478	3.7
223.06133	1.8
229.08617	2.6
239.05566	11.2
249.06139	2.9
251.05457	2.5
261.88394	1.5
269.06635	3.2
315.08688	2.0
327.08640	2.9
337.94150	1.6
343.22009	1.6
357.09918	1.9
371.09863	5.7
372.10089	4.7
373.10397	3.8
435.13116	4.3
447.13101	2.7
462.44135	1.6
476.58435	1.7
477.14160	17.9
489.14090	6.7
507.14981	6.5
519.15088	100.0
520.15503	14.9
531.15149	4.0
549.16144	81.2
550.16406	13.0
561.16034	4.7
579.17206	23.1
580.18341	2.0
621.18311	10.9
639.19202	15.9
640.19775	1.9
651.19489	8.0
652.19250	1.9
669.20422	4.1
741.22870	3.6
759.23651	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	757.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	23.2
61.98710	65.7
71.01254	100.0
73.02810	7.5
78.95770	22.8
85.02826	8.5
98.19704	7.1
102.75552	5.0
104.78153	5.2
109.06476	8.0
113.02341	8.8
152.76245	5.3
152.99489	12.3
163.11183	7.6
171.10188	94.4
199.09756	25.6
201.11331	35.6
207.10229	28.7
209.11755	18.8
225.11232	21.6
229.25203	6.4
253.09213	17.2
277.21741	75.6
279.23367	10.7
311.22223	11.0
461.20276	13.7
739.42474	19.9
749.75989	6.3
757.44055	39.1
758.43628	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	757.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
68.29520	2.4
71.36891	4.2
78.95782	38.4
89.11446	2.2
96.96879	3.7
152.99503	43.9
161.83830	2.6
171.00548	6.1
195.13799	15.1
202.51129	2.4
223.13412	6.9
227.03194	4.0
253.21741	25.0
255.23265	3.3
275.20151	5.9
293.21262	49.6
324.32767	2.7
429.20175	4.2
515.04352	2.6
521.25244	100.0
522.25427	11.9
567.16748	2.7
574.07782	2.7
633.12122	2.9
757.46698	42.9
758.46948	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	757.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.4
59.01259	55.0
61.98703	26.4
66.23730	5.7
71.01260	18.9
80.96415	5.9
82.70079	5.6
83.04894	5.6
85.02808	7.2
89.02307	7.9
95.97426	4.6
96.18869	4.8
96.95901	11.0
97.86713	5.7
98.20556	17.8
99.00809	5.4
101.02321	13.6
103.68546	4.9
113.02322	8.8
117.06464	6.0
125.09595	5.8
125.60542	6.5
145.02779	5.1
148.22037	5.9
151.00301	11.6
169.12167	6.3
171.10222	21.0
178.37704	5.9
181.08623	22.4
183.13741	7.3
185.11674	6.8
197.11761	8.7
205.99713	5.3
209.11787	100.0
210.12186	42.2
211.13481	81.8
212.13702	6.9
227.12817	13.9
228.13045	6.9
229.76587	6.6
235.08212	9.8
253.09296	22.5
271.02448	21.2
291.19711	7.5
292.19989	12.2
300.02695	31.2
301.03488	13.3
309.20718	23.0
310.21100	16.7
311.22064	10.3
327.21838	25.3
431.22687	9.6
447.22275	8.6
515.91833	5.7
590.33405	5.7
625.26196	11.1
666.30701	9.8
698.38177	11.6
757.18671	8.8
757.31091	26.2
757.42126	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	757.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05118	0.6
57.03321	0.5
59.01256	14.9
61.25665	0.5
61.98700	2.6
62.15377	0.6
66.59356	0.6
71.01257	5.0
71.14999	1.4
72.99203	1.0
78.95776	2.0
81.03320	1.0
83.01270	1.1
83.04906	0.9
84.16182	0.6
85.02843	0.9
87.00755	1.0
89.02334	1.7
95.04880	0.8
96.95878	0.6
97.06458	1.3
99.00791	0.7
101.02345	3.5
113.02333	1.4
123.04402	0.9
125.09619	2.5
127.11190	2.4
133.05008	0.9
136.75536	0.6
137.09592	1.1
152.99542	0.7
163.11217	2.5
165.12764	0.9
171.10193	100.0
172.10535	4.8
181.12270	0.7
185.11777	2.6
191.14406	2.7
197.11789	1.3
207.10234	1.6
209.11819	7.3
210.12117	1.1
211.13393	4.3
217.15691	0.8
225.11313	1.7
226.11671	0.6
227.12883	1.4
235.08221	2.7
237.11273	0.7
245.19054	4.7
253.09288	9.7
263.20139	1.5
271.17261	0.9
289.18100	26.6
290.18488	2.2
291.19604	0.7
293.21182	1.2
294.21545	1.4
307.19156	22.5
308.19562	1.8
309.20758	1.5
310.21185	1.2
311.22327	0.9
327.21710	2.2
344.24728	0.6
407.19217	1.3
543.28284	1.3
632.76685	0.8
757.42859	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	757.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	4.8
59.01257	23.1
61.98711	8.1
69.60040	9.7
69.60470	10.3
71.01255	9.3
78.95776	3.1
83.01292	2.3
83.04891	5.3
85.02847	4.5
87.00755	4.3
89.02324	5.9
96.95885	6.3
97.02862	4.8
101.02336	10.2
111.08061	4.9
113.02338	6.3
125.09621	2.6
141.53329	2.9
156.94072	2.4
163.11166	4.8
165.12788	7.4
171.10223	17.3
180.14948	2.5
183.13918	5.7
185.11839	6.2
195.13802	5.6
197.11781	16.5
199.13443	3.1
201.11264	21.7
201.12875	3.3
205.94926	2.7
209.11786	100.0
210.10269	4.2
210.12141	35.8
211.13603	22.0
212.13701	5.3
223.13362	4.6
227.12863	18.0
228.13164	4.6
229.14432	86.7
230.14787	7.3
235.08289	5.1
243.03041	3.3
253.09277	39.7
254.09546	5.1
255.03020	3.9
271.02530	11.0
272.02609	3.2
275.20142	4.1
291.19626	21.0
292.20029	9.8
293.21231	58.4
294.21524	5.1
299.02045	9.2
300.02792	16.0
301.03128	7.7
302.03412	2.9
309.20728	57.2
310.21094	17.5
311.21695	11.8
327.21579	3.5
465.23801	3.0
595.23199	3.0
611.58026	3.2
739.41968	3.5
757.30219	10.1
757.43018	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	757.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.7
57.03310	5.1
59.01258	41.2
69.03333	2.0
69.22852	13.8
69.23260	3.1
71.01260	42.6
72.99189	9.4
73.02821	15.2
75.00749	36.1
78.95766	1.5
83.01270	7.1
83.04900	1.5
85.02832	34.2
87.00755	9.1
89.02319	5.4
93.03366	1.7
95.01247	6.1
96.95891	7.8
97.02825	4.0
99.00765	13.2
99.04404	1.8
100.68160	1.5
101.02341	13.7
108.02041	2.9
109.02855	2.7
111.00764	2.8
112.01553	7.3
113.02344	27.5
115.00278	3.2
117.01810	3.0
119.04903	4.8
121.02836	3.2
121.10126	2.3
123.00767	1.9
125.02315	1.7
129.01799	1.6
134.03615	3.6
135.04366	1.6
136.01559	3.1
143.03369	1.8
145.02878	2.9
149.02377	1.7
150.03101	4.7
151.03891	5.0
152.00983	1.3
160.01575	4.7
161.02353	2.0
161.04459	3.5
162.03128	4.1
163.03940	2.6
165.05424	2.3
165.09154	1.7
167.10672	4.1
175.02356	4.5
175.03934	5.2
190.02577	2.3
191.05481	1.6
193.04976	4.0
195.06548	1.5
203.07057	1.8
205.05016	2.5
223.06236	2.0
255.02798	1.4
265.07071	1.6
267.07074	1.8
289.12283	1.5
313.98538	1.3
329.15964	2.5
341.10291	1.9
357.13318	2.0
382.86057	1.5
427.12436	4.3
445.13672	4.2
561.23206	5.2
576.61890	1.4
595.23798	2.0
612.48120	1.4
621.19238	1.5
713.31549	3.3
738.59662	1.6
750.58618	1.7
757.29089	100.0
758.29620	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	757.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	1.2
58.01965	1.2
59.01247	12.5
67.01761	1.2
70.49477	2.4
70.49833	2.7
71.01260	13.9
72.99187	3.0
73.02820	1.9
75.00742	14.6
81.03290	1.3
85.02827	11.5
87.00763	3.5
89.02314	3.9
93.03304	1.4
95.01266	4.4
99.00764	5.0
101.02361	1.4
111.00697	1.8
113.02331	13.8
113.53440	1.3
117.01855	2.4
121.02847	60.8
129.01866	1.4
199.89890	1.3
213.14896	1.9
217.13028	1.1
231.05061	4.1
241.14398	4.8
249.06142	40.4
250.06357	2.5
258.80463	1.2
371.09845	100.0
372.10187	7.1
397.13770	1.9
412.05542	1.4
639.29071	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	757.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	1.3
57.03323	4.6
59.01251	22.5
67.01738	1.5
69.03311	1.4
69.59200	0.7
71.01254	28.6
72.99181	7.3
73.02824	7.2
75.00745	31.4
81.03349	1.7
83.01238	3.8
85.02824	27.8
87.00761	8.9
89.02328	5.9
90.74361	0.9
95.01251	4.7
96.58434	0.8
96.95910	6.3
97.02806	1.8
98.19668	1.7
99.00751	11.2
99.04381	1.2
101.02348	6.2
103.00247	1.4
108.02060	0.9
109.02802	2.3
109.20939	0.9
111.00768	1.8
112.01563	6.0
113.02337	21.9
115.00247	3.3
116.92757	1.4
117.01872	1.3
119.04901	1.5
121.02816	2.3
121.10076	1.9
125.02322	1.6
129.01717	1.0
132.02039	1.3
134.03586	2.4
139.00227	1.1
143.04773	0.8
149.02312	2.9
150.03098	2.1
151.00261	2.1
151.03816	1.7
157.01274	2.1
160.01540	3.2
161.02347	1.2
161.04419	1.9
161.05818	1.2
164.04648	1.4
165.01698	1.6
165.05453	1.5
165.09088	1.4
167.10721	5.9
173.04402	1.1
175.00299	1.6
175.02405	1.9
175.03928	3.8
178.02779	0.9
190.02661	4.9
193.04947	3.3
199.03960	1.3
203.07077	1.3
205.05014	4.9
205.06642	1.0
209.04546	1.1
219.54523	1.0
223.06026	1.7
230.07518	0.8
243.02892	1.3
270.01477	1.0
271.02493	3.2
299.02011	5.0
300.02634	3.5
315.14404	1.0
329.16031	2.1
337.09064	2.9
389.16116	1.1
427.03452	1.0
427.12259	2.8
441.13788	1.1
445.13373	3.8
491.09952	1.3
529.45856	0.9
561.23254	1.9
577.11609	2.6
579.13434	1.2
595.23889	2.4
631.06598	1.0
637.15088	1.3
757.29065	100.0
758.29669	18.0
776.13696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.9
71.01255	9.4
72.99168	1.5
73.02818	3.8
75.00745	2.0
75.45203	1.0
80.69711	0.9
83.01263	2.0
85.02845	4.5
87.00758	2.5
89.02321	2.4
91.01791	1.1
93.03313	1.6
96.95885	11.0
99.00708	1.3
101.02333	3.8
109.02873	1.8
113.02313	5.0
117.03345	1.6
119.01270	6.9
119.04913	5.1
121.02843	7.9
122.31082	0.9
125.02314	1.6
131.03377	1.1
132.02051	1.5
134.03632	3.5
136.01633	1.1
137.02379	5.2
145.02885	2.2
147.00781	4.7
147.04376	2.8
149.02339	15.7
149.36562	1.1
150.03090	4.0
151.03926	2.4
152.01016	1.6
160.01559	4.4
161.02385	2.6
161.04477	1.7
161.05931	1.4
162.03151	2.3
163.03931	8.4
164.04697	17.6
165.01843	3.9
165.05389	2.0
167.03380	1.1
173.23204	1.0
174.03151	2.4
175.00284	33.7
175.03902	19.9
175.05293	1.7
176.00914	3.1
176.04636	2.9
177.05464	5.9
179.03394	2.3
179.07051	5.4
180.04175	8.5
181.04874	1.2
188.04721	2.8
189.05489	6.5
190.02638	81.3
190.06239	16.7
191.03241	6.3
191.07031	11.4
192.04352	1.3
193.01334	1.3
193.04988	8.5
194.05789	5.2
195.06512	1.8
203.07158	1.9
205.05003	79.3
205.08575	13.3
206.05458	3.2
207.06557	4.4
208.03679	2.2
208.07310	8.0
209.04494	1.6
211.30380	1.1
221.08159	1.7
223.04083	1.7
223.06076	19.2
227.03523	2.9
247.05981	1.3
249.06113	1.3
255.02971	4.5
271.02481	1.3
284.03226	5.5
284.85828	1.1
285.03915	1.3
332.75165	1.1
337.09317	1.9
345.13361	4.8
359.15002	30.0
359.19366	2.0
360.15353	3.3
367.10324	100.0
368.10709	9.0
491.10123	1.2
531.14862	1.8
561.23840	1.3
575.13989	1.7
670.32574	1.5
713.31360	1.6
727.25977	15.1
728.26636	3.5
757.26935	20.1
758.27344	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	755.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.2
59.01253	7.1
61.98688	1.2
69.03315	0.7
70.01493	0.7
70.31441	0.5
71.01254	4.7
73.02839	1.6
80.02544	1.1
81.03326	1.7
83.01254	1.1
83.04893	5.5
85.02827	1.4
87.00743	1.0
89.02321	3.6
92.88829	0.6
93.03367	0.6
95.04902	1.2
97.02840	1.2
97.06457	1.7
99.00763	2.5
101.02342	4.4
109.06470	0.8
111.08017	1.0
113.02350	2.4
113.09565	0.8
125.05965	0.7
125.09618	1.1
141.09114	0.7
151.00244	1.0
161.04434	1.5
163.00455	0.6
163.11200	5.0
165.12775	4.3
167.14293	0.7
171.10236	6.0
172.92932	0.6
178.99759	1.3
181.12292	3.6
183.13826	2.5
185.11899	0.8
191.10696	1.2
193.16093	0.7
195.13847	1.7
197.11797	1.9
199.03908	0.8
199.13309	2.6
201.11298	1.2
207.10191	3.6
209.11777	100.0
210.12134	6.7
211.13318	4.9
221.15414	1.5
225.11279	5.8
227.12840	15.8
228.13358	0.7
229.14439	0.8
235.08296	4.2
243.02950	1.4
243.12338	2.7
247.20656	1.5
253.09251	12.4
255.02916	1.3
271.02515	3.7
273.18646	1.7
291.19690	19.9
292.20047	1.4
293.21210	2.5
299.01944	8.4
300.02853	5.2
301.03470	3.0
309.20715	54.2
310.21097	4.4
325.19952	1.0
347.22314	0.8
462.08075	2.7
463.08743	2.0
463.21890	1.3
479.21484	0.7
527.28339	1.3
545.29639	4.4
583.31329	0.8
593.23975	2.1
737.41272	2.6
755.29395	1.4
755.42230	12.1
756.42645	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	757.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.4
59.01254	7.6
63.02279	1.4
65.00201	4.9
71.01261	9.3
71.58218	1.2
72.99181	2.3
73.02823	2.0
75.00729	4.9
80.96366	1.1
82.96026	0.9
83.01267	3.5
85.02813	7.7
87.00762	2.9
88.98698	2.3
89.02311	3.0
95.01305	1.4
96.95901	12.0
99.00767	3.2
101.02326	3.5
103.85792	0.9
107.01273	7.8
108.02087	1.7
109.02844	1.7
113.02312	6.5
121.02851	10.4
122.03133	1.3
125.02324	0.9
134.03633	1.9
137.02325	1.4
145.02895	2.6
147.00810	1.4
149.02309	3.2
150.03183	1.1
151.00276	25.2
151.03848	1.3
152.01028	1.6
154.98332	1.0
155.04890	1.6
159.04362	1.3
160.01637	1.9
161.02370	1.5
162.03174	1.1
163.03867	1.0
164.01108	1.1
164.04642	1.3
165.01863	1.1
165.05440	1.2
169.01405	2.4
171.04405	1.7
175.00275	2.2
175.02547	1.4
175.03912	4.4
178.02698	1.0
178.99792	11.5
179.06976	1.0
183.04474	3.3
185.02429	1.3
186.03236	1.6
187.04044	1.7
189.01918	1.4
190.02631	4.9
190.28227	0.9
191.05513	1.1
192.00586	1.1
193.04951	1.2
199.03961	10.5
203.03461	1.2
205.04996	5.2
209.11697	1.9
211.03961	1.5
214.02721	4.9
215.03398	4.0
227.03401	8.4
227.12776	1.1
241.01384	15.7
242.02206	7.6
243.02943	20.0
244.03502	0.9
245.00932	9.0
255.02968	18.4
270.01678	25.1
271.02478	52.6
272.02902	4.4
285.04297	1.1
295.02573	1.0
297.07123	1.1
298.01169	11.1
299.01971	100.0
300.02716	54.8
301.03510	30.2
302.03925	2.8
313.03513	3.5
339.05014	1.1
341.02844	1.7
359.15115	1.3
367.10410	4.9
424.05499	1.0
429.63754	1.0
433.07632	3.6
448.08618	1.1
461.08383	1.1
478.09149	1.4
500.06744	1.0
577.12006	80.7
578.12598	30.5
579.13550	23.2
580.13672	2.8
701.17712	1.0
739.18530	4.0
757.19226	6.9
757.30469	14.3
758.30011	1.7
785.65869	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.8
58.00476	1.6
59.01254	13.3
61.98699	1.0
69.28342	7.7
69.28751	2.1
69.94007	0.9
71.01256	9.3
73.02836	2.2
78.91779	1.5
78.95767	1.1
81.03325	1.1
83.04897	2.2
85.02830	2.2
87.00764	3.1
89.02344	4.6
90.13139	0.9
96.95866	0.9
97.02808	2.2
97.06474	1.8
99.00781	1.9
100.37936	0.9
101.02341	7.1
103.81161	1.1
106.56992	1.0
109.06475	1.0
111.08044	3.2
113.02325	3.5
113.09602	1.6
119.03386	1.0
133.05034	0.9
139.11214	0.9
141.09088	1.1
161.04465	2.6
163.11177	2.6
165.12778	13.5
167.10808	1.2
167.14322	1.2
169.12250	1.9
171.10176	6.9
181.12309	4.6
183.13843	100.0
184.14197	4.6
185.11743	2.8
193.12325	1.6
194.72995	1.0
195.13777	2.7
197.11763	3.5
199.13359	8.1
201.11266	1.4
207.10249	4.9
209.11797	16.1
211.13326	5.8
225.11324	7.6
227.12846	16.0
228.13173	1.5
235.08174	5.4
241.14482	1.3
247.20642	2.7
253.09335	10.8
264.09134	1.5
273.18503	2.1
275.20163	2.0
279.11453	1.9
291.19678	28.3
292.19897	2.8
293.21246	7.5
300.02228	1.2
307.19275	1.4
309.20737	43.4
310.21155	2.5
338.45560	1.1
347.98199	1.2
445.20932	2.5
461.20407	1.9
463.22089	6.0
527.27985	1.2
545.29840	5.4
625.23016	1.9
657.25366	1.1
755.42352	83.2
756.42584	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	755.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	8.7
61.98719	1.5
64.25504	0.9
66.71259	0.9
69.03336	1.2
69.46226	8.0
71.01267	5.6
72.32813	1.0
73.02810	1.8
73.81168	0.8
75.59132	0.9
83.01271	1.1
83.04934	1.5
84.10345	0.8
85.02821	2.7
87.00762	1.0
89.02322	4.9
90.69085	0.7
97.02833	3.1
97.06455	1.6
98.19837	1.8
101.02319	6.2
102.97256	0.9
108.97243	0.9
111.08021	4.2
112.89883	0.8
113.02329	3.0
119.03429	1.4
125.09641	0.9
153.12695	1.0
161.04483	1.6
163.11220	2.6
165.12759	9.2
169.12314	1.9
171.10220	4.6
181.12392	0.8
183.13838	100.0
184.14148	4.8
197.11765	18.2
199.13356	2.4
199.41066	0.8
209.11783	13.1
210.12100	2.4
211.13467	4.6
225.11354	3.2
227.12865	11.9
228.13127	1.2
235.08162	4.5
244.27344	1.2
247.20589	2.7
253.09247	9.8
270.61212	1.0
271.02344	1.1
273.18530	1.0
291.19659	15.3
292.20032	1.6
293.21185	2.7
294.82346	0.9
307.19147	1.4
309.20709	25.8
310.21121	2.0
445.20749	3.8
463.21899	5.4
527.28149	1.0
755.42261	71.5
756.42731	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70419	40.6
53.14886	45.3
55.85914	42.5
61.98729	43.6
71.57983	58.7
78.95785	100.0
82.71407	39.0
88.21297	43.9
99.80679	41.4
116.58836	36.4
135.51028	46.4
135.51974	51.6
139.46124	38.6
181.23509	45.0
184.33984	44.2
199.13318	84.7
277.21564	44.2
278.41388	43.9
755.43610	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	13.2
61.98706	3.4
70.33635	3.2
70.34041	2.4
71.01258	10.1
73.02799	1.5
76.71645	1.1
78.95802	1.3
83.04911	1.9
85.02827	2.0
87.00765	2.0
88.98692	3.7
89.02309	5.6
90.51155	1.1
95.01257	1.5
97.02818	1.4
97.06458	1.8
98.19831	1.2
99.00753	2.1
101.02332	7.4
111.08045	8.2
113.02327	5.4
119.03390	1.8
121.85188	1.2
135.08134	1.4
161.04456	2.7
163.11221	2.7
165.12726	11.7
168.96442	1.3
169.12299	3.8
171.10210	8.1
181.12286	3.0
183.13840	100.0
184.14183	5.5
185.11743	3.8
195.13779	1.2
197.11769	37.8
198.12074	2.5
199.13298	7.4
207.10236	3.4
208.10526	1.3
209.11795	17.8
210.12070	2.9
211.13460	8.5
225.11282	7.0
227.12862	14.0
228.13307	1.3
235.08200	6.2
241.39108	1.3
243.12369	2.2
245.25375	1.3
253.09302	13.2
263.20145	1.8
271.02679	1.3
289.18201	1.5
291.19653	12.6
293.21280	4.6
309.20749	27.5
310.21030	3.0
445.20792	2.7
463.21616	6.3
755.42224	94.8
756.42633	22.8
760.22424	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	4.5
57.03323	6.3
58.00459	2.8
59.01256	76.4
61.26474	1.6
61.98709	19.5
67.76677	1.5
69.03330	1.4
70.56251	3.0
70.56580	1.7
71.01255	53.3
72.99194	4.9
73.02828	14.4
75.00748	3.2
80.96397	3.3
83.01253	9.2
84.19514	1.4
85.02831	30.6
87.00758	8.1
87.13571	1.5
88.98690	2.3
89.02321	13.1
95.01246	8.2
96.95911	7.1
97.02843	3.7
99.00780	6.1
101.02337	31.7
107.29423	1.2
109.02886	2.4
111.00774	6.1
112.01603	2.3
113.02339	21.0
115.00285	1.4
119.01270	1.6
119.03374	2.9
119.04907	2.0
121.02855	3.6
121.46435	1.4
123.04459	2.8
125.02347	9.0
131.03456	1.5
134.03635	5.1
136.01567	3.1
137.02374	2.4
140.63708	1.5
143.03429	4.4
147.00783	1.5
149.02368	5.0
151.00304	2.4
151.03917	5.8
157.47894	1.5
159.02969	2.4
160.01584	8.3
161.04462	4.0
163.03894	2.3
163.07553	1.6
164.04733	5.8
165.01921	2.3
165.70665	1.4
166.02657	6.3
174.01677	1.7
175.00269	8.2
175.03964	9.9
179.07010	2.2
181.05003	6.9
190.02664	18.1
191.03319	2.7
191.05498	1.8
193.04962	4.5
195.06499	1.7
205.05026	19.0
206.05597	2.2
208.03665	2.5
209.11734	2.1
211.13347	3.8
223.06055	4.8
265.07214	4.6
275.14731	1.4
279.23328	1.7
289.07492	2.2
295.08133	2.0
299.01761	1.5
299.25986	4.5
300.02597	2.6
337.09259	6.4
345.30209	7.1
357.22906	2.3
367.10236	16.4
368.10611	2.1
373.12692	1.8
385.10858	1.6
387.14578	3.8
489.34412	5.6
507.35373	11.3
533.29388	1.9
578.90051	1.6
579.22894	1.7
651.39612	100.0
652.39703	18.0
669.40710	67.1
670.31189	1.7
670.40601	8.9
711.41870	15.5
712.41986	3.8
755.33789	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	755.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02633	0.9
57.03328	1.1
58.92643	0.9
59.01252	9.5
59.08168	0.9
61.98709	6.7
65.00198	2.3
69.33694	9.9
71.01264	6.4
79.95607	3.1
80.96394	4.8
81.03333	2.1
83.01266	1.4
83.04916	5.0
85.02821	2.3
89.02340	2.9
94.97970	1.5
95.04925	1.0
97.02828	1.9
97.06458	1.6
101.02335	5.9
107.01266	3.9
108.02073	1.4
109.02848	3.2
109.06468	1.7
111.08028	2.9
113.02328	3.0
121.02831	2.8
125.02356	1.7
135.07994	1.0
151.00288	13.5
159.04459	1.2
161.04509	2.7
163.00291	3.0
163.11185	5.3
164.00996	1.0
165.12729	4.0
167.14201	1.0
171.10214	3.4
178.99771	7.2
181.12300	2.2
183.13829	1.2
195.13728	1.2
197.11801	10.7
198.03152	1.5
199.03970	2.1
199.13351	3.2
207.10213	1.4
209.11795	100.0
210.12146	4.3
211.03868	1.1
211.13397	9.3
215.03520	1.6
216.04193	1.2
225.11346	2.7
226.02711	4.9
227.03450	5.1
227.12854	22.7
228.04033	1.1
229.04961	1.3
235.08203	3.9
243.02988	21.8
244.03261	2.0
245.04521	1.4
253.09296	16.5
254.02225	4.6
255.02997	27.9
256.03326	1.4
263.20288	1.1
271.02490	88.5
272.02985	6.8
290.18503	1.4
291.19693	19.4
292.19836	1.3
299.02124	5.3
300.02768	90.5
301.03513	45.5
301.06403	0.6
302.03845	2.8
307.19116	1.0
309.20724	54.2
310.21078	1.1
325.20517	1.1
337.71637	1.0
385.07877	1.0
388.36005	1.0
447.08887	1.3
463.08911	3.3
463.21866	1.6
471.15259	3.2
545.29681	3.7
549.52087	1.2
609.23022	2.3
737.40417	1.7
755.29218	68.2
756.29712	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	755.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	2.3
59.01253	18.5
61.98703	22.7
63.99188	1.6
65.00188	4.6
67.96331	1.5
71.01250	12.7
71.58000	2.7
73.02805	2.6
79.95611	3.2
80.96377	5.1
81.03322	2.5
83.01243	1.9
83.04892	5.8
84.63671	1.5
85.02821	3.4
87.00745	2.9
89.02308	6.0
92.04874	2.3
93.03326	3.5
95.01234	2.4
96.95857	2.1
97.02805	2.1
99.00751	2.7
101.02311	6.4
107.01258	1.9
109.02821	3.0
109.32158	1.7
111.00755	1.8
113.02303	6.1
114.93285	5.9
115.00269	10.1
115.00943	1.7
119.03401	2.2
119.04877	2.0
121.02847	19.1
124.01564	2.0
125.02341	2.8
134.42424	1.5
136.01593	2.8
136.03909	2.6
137.02261	3.8
139.03928	2.6
145.02809	6.2
145.06232	2.0
149.02310	5.2
151.00209	6.5
151.64941	1.9
153.09227	1.5
161.02435	1.9
163.00317	11.6
163.07619	3.5
163.11192	4.3
164.01004	3.8
165.01918	1.8
165.12772	2.5
171.10185	3.7
175.00229	4.8
175.03835	1.7
176.01022	2.1
177.01865	1.8
178.99731	3.4
183.13770	2.5
185.11736	1.8
187.07571	2.7
189.99004	6.3
190.99747	1.8
195.13641	2.1
196.04543	1.6
197.11742	5.8
202.99734	1.9
203.03413	3.2
209.11771	88.3
210.12082	4.2
211.03979	1.9
211.13396	16.0
223.16611	1.7
227.03482	2.4
227.12930	9.1
231.02910	1.6
231.06577	12.0
235.08174	4.0
241.05048	4.4
243.03011	3.2
245.04318	1.7
251.16451	4.9
253.09340	11.6
255.02945	3.9
256.03763	3.2
257.04565	2.5
259.06073	3.6
269.04483	3.0
271.02502	8.5
283.02493	3.7
284.03223	4.7
285.03986	5.6
289.17996	3.6
291.19656	12.2
299.01907	6.2
299.05289	2.0
300.02744	10.0
301.03442	5.7
307.19104	2.8
309.20715	26.8
311.01859	2.0
312.02856	10.3
313.03531	28.4
314.04254	9.5
325.03418	6.8
325.20096	3.0
327.05273	2.4
329.13840	5.6
340.02081	3.3
353.06625	3.3
373.12790	14.1
381.09851	20.3
382.10379	6.9
409.09366	3.1
443.20609	3.1
523.16058	15.2
524.16559	7.5
575.22522	3.5
592.23242	5.9
593.23871	74.5
594.24078	10.8
609.23267	2.2
697.74005	2.3
711.36133	2.5
755.29150	100.0
756.29633	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	755.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.8
59.01258	8.2
59.97310	0.8
61.98702	2.8
63.02263	1.0
63.17047	0.9
65.00185	2.1
71.01245	3.6
71.32056	0.9
71.35365	1.0
73.02806	1.8
83.01276	1.8
83.04903	3.3
85.02813	1.7
89.02304	2.0
94.58443	0.8
97.02839	2.5
99.21879	1.0
101.02326	2.5
107.01286	3.3
108.02044	1.5
109.02845	2.1
111.08058	1.5
113.02335	2.1
121.02856	2.9
124.01423	1.0
137.09677	1.1
145.04961	0.8
148.01569	1.1
151.00296	11.3
153.09117	0.9
153.12762	1.0
163.00279	2.7
163.11197	3.2
164.00963	1.1
165.12810	1.5
169.12283	1.2
171.10220	5.5
178.99832	5.6
181.12254	1.3
183.04346	0.8
183.13818	2.1
185.11752	1.4
197.11775	6.5
199.03937	2.4
199.13380	3.8
201.11256	1.9
207.10233	1.1
209.11794	54.6
210.12074	2.3
211.03964	1.1
211.13364	10.2
215.03461	1.1
225.11270	3.3
226.02673	2.9
227.03572	4.6
227.12868	22.1
229.14392	1.4
235.08180	2.5
243.02983	14.7
245.04576	1.1
251.16508	1.1
253.09288	10.1
254.02205	2.4
255.02980	25.9
256.03323	1.6
271.02502	66.9
272.03012	5.9
283.02588	0.9
289.18219	1.3
291.19717	14.1
298.59457	0.9
299.02002	11.5
300.02771	100.0
301.03513	47.5
302.03979	2.1
307.19226	1.8
309.20740	29.9
310.21155	1.9
315.01450	1.8
325.20370	1.4
445.07813	1.2
446.08673	1.6
447.09180	1.5
462.08170	2.9
463.09003	5.8
463.21878	1.5
468.36057	1.0
545.29755	1.3
593.23792	3.9
737.40576	1.1
745.97968	1.0
755.29297	61.8
755.41809	3.9
756.29858	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	755.2049
Annotation	Kaempferol 3-rutinoside-4'-glucoside
Peak:m/z	Relative Intensity
69.36493	1.4
69.45292	3.4
69.45698	8.5
100.11797	1.3
111.48233	1.1
151.00319	2.6
183.04456	4.3
185.67793	1.3
198.71526	1.2
211.04001	3.5
227.03455	17.6
255.02982	62.4
256.03442	4.7
283.02487	83.2
284.03253	49.5
285.04013	17.2
327.04852	1.4
359.80933	1.5
446.08383	12.4
447.09152	3.0
593.15161	100.0
594.15472	12.2
620.52240	1.5
635.15942	3.1
755.20331	8.2
774.21063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87453	0.7
59.01263	5.9
61.98709	4.4
63.02270	1.3
65.00219	1.6
70.09358	3.6
71.01247	3.0
79.95609	1.0
80.02544	0.9
80.96395	2.5
83.01250	1.5
83.04925	1.8
84.00854	0.7
87.00761	1.2
89.02325	1.7
97.02824	1.1
101.02332	3.1
107.01302	3.8
108.02052	1.6
109.02839	1.1
113.02338	1.6
118.92486	0.8
121.02845	2.1
122.85320	0.9
125.02320	1.5
125.09595	0.9
135.00832	1.2
148.01555	2.4
151.00299	12.4
163.00293	2.4
163.11163	2.8
165.12740	2.6
169.01321	2.0
169.12257	0.8
171.10184	2.8
178.99818	6.3
181.12216	1.0
187.03792	1.1
190.02684	1.1
197.11757	3.3
199.03938	2.1
199.13350	2.2
203.03462	1.0
209.11789	50.8
210.12070	4.0
211.03931	1.0
211.13388	7.6
211.19252	0.8
215.03410	1.1
223.16922	1.0
225.11229	2.1
226.02618	4.8
227.03482	4.7
227.12857	19.9
235.08202	1.3
243.02989	19.4
244.03270	1.1
251.16495	3.5
253.09323	7.2
254.02232	5.4
255.02975	26.4
256.03394	1.4
271.02496	89.9
272.02939	7.4
289.18100	2.3
290.18442	2.2
291.19705	12.6
299.01974	15.3
300.02768	100.0
301.03506	39.5
302.03949	2.4
307.19269	1.0
309.20728	24.0
310.21021	1.5
343.04715	1.2
422.29684	0.8
445.21078	0.9
446.08047	1.3
447.09216	3.1
463.08838	4.5
519.33405	0.9
545.29456	1.1
585.12500	1.0
609.23254	3.8
755.29218	81.8
755.39648	3.0
756.29578	13.7
788.01831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.204
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21535	0.9
64.59179	1.1
65.00195	1.8
70.91199	3.5
72.72987	1.0
74.18615	1.0
87.95713	1.0
107.01284	1.6
108.02074	1.6
121.02776	1.2
148.01567	1.8
151.00281	5.1
163.81628	1.2
178.99756	4.6
183.04468	1.5
199.03877	1.2
209.04750	1.2
216.04134	1.2
218.47913	1.1
226.02594	3.1
227.03366	5.5
243.02950	13.5
244.03539	2.2
254.02135	2.5
255.02975	33.6
256.03271	1.5
271.02475	79.9
272.02902	7.8
289.91260	1.2
292.09113	1.2
299.02020	3.4
300.02737	100.0
301.03244	13.5
310.29709	1.2
755.20392	72.7
756.20972	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	755.1829
Annotation	UNII-8PGL6583N7
Peak:m/z	Relative Intensity
56.17549	0.5
56.75493	0.6
59.01241	1.9
63.02264	1.9
65.00197	5.1
71.01249	2.3
75.00738	2.9
83.01260	3.2
89.02356	0.6
93.03332	1.9
93.71062	0.7
94.71519	0.5
96.03188	0.6
98.19620	1.1
101.02299	0.9
107.01276	8.8
108.02076	0.6
109.02831	1.4
117.03349	2.3
119.04927	1.7
121.02832	3.1
125.02328	0.8
131.01318	0.9
133.02814	0.8
135.00815	0.7
145.02849	7.8
149.02380	0.9
151.00278	36.5
152.00548	0.9
161.02428	0.6
163.00259	1.1
163.03868	2.6
164.00992	1.3
165.01799	0.7
169.01323	1.7
171.04529	0.7
175.00305	4.6
175.03976	1.0
178.99794	10.5
183.04337	0.5
187.03896	1.3
189.01974	0.6
191.05540	2.3
197.02301	0.7
198.03145	0.6
199.04002	4.2
201.01776	1.6
205.01317	0.6
205.05089	1.0
211.03841	0.7
215.03418	1.3
226.02640	1.5
227.03485	4.1
229.05032	1.2
229.36954	0.9
243.02985	5.1
244.03365	0.9
244.61128	0.6
245.04584	0.8
255.02948	3.3
271.02481	45.8
272.02856	2.9
283.02380	1.5
284.03186	0.8
285.04086	6.0
299.01971	54.5
300.02719	24.6
301.03528	100.0
302.03766	6.0
305.67972	0.6
313.03568	0.9
447.09280	5.5
448.09909	0.7
468.36600	0.7
487.08536	1.8
593.13153	0.7
608.11871	5.7
609.12488	82.6
610.12811	6.9
698.34369	0.9
755.18329	27.5
755.31635	1.7
756.19055	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	754.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75614	0.2
54.32125	0.1
56.63863	0.1
59.01249	1.0
61.98704	100.0
70.55006	0.3
70.55365	0.5
71.00890	0.2
71.01262	0.7
72.99205	0.2
73.02812	0.2
77.61092	0.2
80.96413	0.4
83.01284	0.3
83.04900	0.3
85.02818	0.3
89.02345	0.4
92.54858	0.2
101.02341	0.4
105.30614	0.2
105.31322	0.2
107.01312	0.2
113.02355	0.4
115.00302	0.2
116.25125	0.1
119.03532	0.2
119.04932	0.3
121.02885	0.3
122.82711	0.2
125.09652	0.2
143.04745	0.2
145.02875	0.7
151.00281	0.3
163.03958	0.3
171.10182	0.3
178.99788	0.4
183.13931	0.2
192.42401	0.1
197.11804	0.3
207.10222	0.2
209.11765	4.5
210.12178	0.5
211.13345	0.9
227.12993	0.6
243.02875	0.2
253.09340	0.5
255.03075	0.3
271.02444	1.0
272.03076	0.3
289.18057	0.4
290.18613	0.5
291.19806	0.6
293.21176	0.2
299.01978	0.4
300.02734	1.0
301.03418	0.8
307.19260	0.4
308.19687	0.2
309.20609	1.0
593.23645	0.3
711.36328	0.6
754.28430	0.5
754.41479	0.3
755.30542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	0.1
59.01253	0.5
59.50075	0.1
61.98706	100.0
62.98425	0.3
69.70646	0.8
71.01264	0.4
80.96399	0.5
83.04890	0.1
87.00745	0.1
88.19970	0.1
89.02328	0.2
98.20594	0.1
100.75571	0.1
101.02377	0.2
105.62771	0.1
109.52049	0.1
121.02824	0.3
125.02297	0.1
142.15096	0.1
160.93495	0.1
165.12852	0.1
171.10158	0.1
177.92488	0.1
209.11761	0.8
210.12152	0.2
210.47243	0.1
211.13368	0.3
225.00659	0.2
227.12859	0.2
253.09094	0.2
291.20029	0.1
293.21442	0.2
294.21692	0.3
309.20737	0.3
619.11780	0.1
754.34692	0.5
760.01343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99702	1.3
55.01754	3.3
57.03319	4.2
58.00477	2.3
59.01253	76.8
61.98705	15.9
68.99674	1.3
69.03331	2.1
71.01257	54.6
72.99181	5.8
73.02831	11.0
75.00733	2.9
80.95618	1.6
81.03322	2.1
83.01260	10.3
85.02820	27.7
87.00771	7.2
89.02328	20.8
95.01266	6.4
96.05405	1.6
96.95879	2.6
97.02838	3.4
99.00774	3.6
101.02325	31.4
102.31232	1.5
111.00748	5.5
113.02334	23.8
113.03064	2.0
116.92746	3.6
119.03400	6.8
125.02343	6.3
143.03397	3.5
157.12196	1.4
159.02863	1.6
160.01581	1.5
161.04466	6.0
171.10153	2.4
175.03760	1.6
193.04962	1.6
209.11771	3.4
211.13495	1.5
211.85190	1.4
225.00836	1.3
254.88579	1.4
271.02432	2.8
299.01828	6.8
343.28867	3.7
390.86966	1.4
446.08279	3.4
487.32782	12.5
488.32748	1.6
505.33908	14.6
506.34143	1.9
533.29437	1.9
556.55066	1.6
649.38000	100.0
650.38470	12.4
667.39050	77.1
668.39160	10.1
709.40295	15.3
710.40009	3.4
753.38574	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	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.7
59.01255	13.0
61.98707	2.1
64.24170	1.3
68.99713	1.8
69.03315	2.3
69.25931	13.7
69.36500	1.4
71.01254	14.5
72.99196	3.7
73.02818	2.5
75.00735	4.7
78.95786	2.3
83.01261	4.8
83.04893	1.3
85.02818	3.2
87.00736	8.0
89.02319	5.1
89.32648	1.4
95.01215	1.8
95.04897	2.0
96.95919	1.3
97.02825	3.2
97.06474	3.6
98.20550	3.0
99.00744	5.4
101.02314	7.6
109.06447	2.6
111.00735	1.8
111.08051	3.4
112.98714	8.8
113.02309	5.1
115.00263	3.6
119.39195	1.4
125.09611	6.1
128.90048	2.4
129.01840	1.6
135.08043	2.0
142.99774	4.2
145.04977	1.4
149.09521	2.1
161.04489	2.2
163.11186	5.0
165.12737	12.5
165.49052	1.5
171.10152	4.4
171.59323	1.3
173.00798	3.5
174.01627	24.0
175.02377	9.6
179.14551	1.3
181.12167	1.7
183.13840	100.0
184.14154	5.2
185.11739	4.7
191.14319	3.9
195.13893	2.6
197.11781	4.3
207.10156	5.8
208.22972	1.5
209.11769	23.2
210.12062	2.7
211.13380	12.7
219.13889	1.8
223.13367	10.7
224.13652	6.7
225.11307	7.5
225.14153	1.7
227.12866	12.7
235.08183	3.8
237.15269	1.7
241.14389	3.4
245.19064	5.2
251.12880	2.3
253.09259	8.9
271.02557	1.8
277.94312	1.4
289.18118	17.3
290.18216	1.9
291.19647	3.8
293.21127	5.0
299.01904	2.7
307.19147	11.9
309.20709	9.3
310.21149	2.2
311.21909	4.8
334.90891	1.4
353.55978	1.4
410.86142	1.6
445.20770	9.0
463.21817	4.6
473.32883	2.4
487.55276	1.4
637.31982	2.2
655.33246	6.2
735.39557	3.2
749.16730	1.7
753.40729	54.8
754.40802	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	751.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	15.3
61.98711	2.1
70.08744	5.9
71.01257	9.1
78.95792	2.1
83.01275	2.1
83.04887	1.9
87.00750	2.5
89.02310	3.6
96.95915	15.0
97.06502	3.0
101.02322	4.0
113.02288	2.2
119.03433	1.6
135.02817	3.1
160.11807	1.8
161.04439	2.0
174.01515	2.6
177.12761	20.5
195.13849	94.8
196.14246	5.1
209.11763	4.0
211.13367	3.1
221.11790	3.8
223.13409	8.7
235.08157	4.5
239.12892	7.6
253.09267	8.7
289.18091	2.1
291.19580	2.4
293.21252	31.7
294.21487	2.7
307.18951	2.2
309.20993	2.7
358.79288	1.9
414.60648	1.9
457.20804	2.7
475.21710	6.3
489.01453	1.7
522.88892	1.8
539.39655	1.9
751.42810	100.0
752.43237	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51628	0.8
59.01236	2.1
60.99173	2.0
67.01758	2.6
69.03316	1.4
71.01264	2.7
82.17450	0.8
83.42245	0.8
85.02823	5.5
87.00764	5.3
93.03345	23.5
103.90254	0.9
110.17337	0.8
111.04398	3.1
127.03855	1.4
134.03613	6.6
137.02405	0.9
148.97072	0.9
155.03458	1.1
157.81728	1.0
164.82918	0.8
173.04457	8.3
175.03941	1.2
191.05547	100.0
192.05901	2.8
193.04948	5.5
209.51593	1.0
314.99631	4.7
316.00089	4.1
367.10336	31.6
368.10678	2.9
375.35025	1.0
427.58066	1.0
451.62570	1.1
479.06525	2.7
480.06833	7.1
481.05206	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76829	0.3
55.01743	0.3
57.03323	0.9
59.01257	6.0
61.98674	0.4
66.92921	0.3
69.03336	2.9
71.01262	5.2
71.04902	0.7
71.57986	0.5
72.99179	1.7
73.02817	0.6
75.00730	0.4
80.02592	0.4
81.03336	0.3
83.01276	0.5
83.04901	1.1
85.02834	1.2
87.00767	1.8
89.02317	3.5
93.03342	0.5
95.01311	0.4
95.04924	0.8
97.02827	2.6
97.06443	0.5
99.00759	0.8
100.68240	0.3
101.02328	4.3
109.06487	1.1
111.08052	4.6
112.98717	1.3
113.02340	2.5
115.00278	0.4
119.03423	0.6
119.08589	0.4
123.08057	0.4
125.09621	1.0
128.72525	0.4
135.02876	0.4
135.11716	0.5
137.09621	0.5
141.09137	0.4
142.99782	0.8
145.05042	0.4
149.04562	0.5
149.09619	0.6
153.12746	0.4
161.04485	2.6
161.09694	0.4
161.13191	0.4
163.11147	1.0
164.58925	0.4
165.12805	2.0
167.10715	3.1
167.96059	0.3
169.12268	2.0
171.08823	0.5
171.10106	1.9
171.77278	0.3
173.00833	0.5
174.01605	2.5
175.02397	0.6
177.12839	0.8
179.05608	0.9
179.10764	1.6
179.14330	4.4
181.12276	0.9
183.13765	0.9
193.12276	0.9
193.13928	0.4
193.15787	0.4
195.13844	9.3
196.14293	0.5
197.11781	22.4
198.12170	1.0
199.13362	1.1
205.12309	11.1
206.12653	0.6
209.11794	1.3
211.13345	4.4
221.11792	0.9
223.13367	100.0
224.13715	5.9
225.15044	0.4
227.12904	1.8
235.08266	5.0
239.13016	0.6
247.20703	1.5
253.09286	15.8
254.09616	0.6
261.18723	0.5
263.20197	0.9
265.18118	0.8
273.18652	0.8
291.19699	24.2
292.20004	2.9
293.21262	0.8
309.20734	56.8
310.21051	4.9
441.21198	0.5
459.22391	7.7
460.22559	1.1
486.98065	0.3
515.33820	0.9
527.28400	0.4
545.29492	1.7
577.37964	0.4
733.37085	0.5
751.41034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.9
58.00477	0.6
59.01256	8.9
61.98695	0.6
62.23339	0.5
69.03326	2.7
71.01263	8.4
71.04895	1.2
71.57436	0.8
72.99168	1.0
73.02832	1.1
75.00741	1.0
81.80587	0.8
83.01258	1.2
83.04874	1.1
85.02837	2.4
87.00758	2.3
88.98692	0.8
89.02319	3.5
90.51823	0.7
93.03362	0.8
95.04876	1.0
97.02845	3.2
97.06485	0.6
99.00767	1.8
101.02338	4.6
103.03917	0.7
109.06487	2.2
111.00778	1.3
111.08050	4.9
112.98711	3.5
113.02316	2.0
115.00259	1.8
119.03372	1.0
119.08564	0.7
123.08047	0.9
125.05958	0.7
125.09592	1.7
135.02855	0.8
137.09610	1.8
142.99767	2.4
161.04475	2.5
161.09715	0.7
163.11189	1.2
165.04231	0.7
165.12762	1.8
167.10667	2.8
169.12251	1.7
171.10220	4.1
173.00797	1.5
174.01624	10.0
175.02425	2.5
177.12802	0.9
179.05547	1.0
179.10655	2.1
179.14333	3.8
181.12273	1.5
183.13773	0.9
185.11844	0.9
192.70769	0.6
193.12289	1.2
195.13846	11.4
197.11792	19.5
198.12064	0.9
199.13387	0.9
205.12270	9.5
206.12621	1.2
207.10272	1.8
209.11774	3.3
211.13397	7.3
221.11787	2.2
223.13367	100.0
224.13704	7.1
225.11234	1.3
227.12871	2.1
235.08223	4.4
237.15022	0.8
239.12918	2.2
239.35730	0.7
247.20776	1.1
253.09290	16.2
263.20175	1.7
273.18552	1.1
291.19690	25.9
292.20032	2.4
293.21222	2.7
307.19131	1.1
309.20734	69.5
310.21066	6.2
441.20816	0.8
459.22372	8.1
460.22672	1.0
501.81244	0.7
515.34265	1.0
527.28851	0.9
545.29834	1.8
640.39575	0.7
711.17664	0.8
751.39819	2.5
752.40057	0.9
753.26117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35848	2.0
56.69121	2.0
59.01254	8.8
61.98708	2.5
65.83691	2.5
71.01264	20.2
72.99181	8.2
75.00753	23.1
78.95778	15.0
83.01254	7.8
85.02834	4.0
87.00756	8.1
88.96732	2.0
97.02837	2.6
99.00774	11.8
101.02274	2.2
109.06490	2.3
111.00765	4.9
112.98688	38.1
113.02364	2.5
115.00280	17.1
123.65189	2.5
124.98637	2.1
126.72433	2.0
142.99757	25.2
145.01265	2.4
163.11208	2.9
173.00867	13.9
174.01622	100.0
175.02382	30.8
183.13828	2.1
194.93587	5.7
197.11813	6.1
207.10167	3.5
211.13341	21.1
221.11874	2.3
223.13353	5.0
225.11299	3.2
237.11429	3.0
237.14853	2.9
263.12881	5.2
291.19711	7.6
293.61105	2.4
309.20776	12.9
323.51038	2.3
371.00616	4.3
413.01883	2.4
431.02646	11.3
629.37238	3.2
633.36304	5.1
673.36230	3.6
691.36951	3.8
751.39417	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	751.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	3.7
59.01256	10.6
67.01749	1.9
69.03334	2.4
71.01263	20.4
71.04908	2.4
71.24890	1.9
72.99170	9.6
73.02809	2.5
75.00757	16.4
78.95782	8.6
83.01250	7.3
85.02834	3.8
87.00758	8.7
89.02331	3.0
98.93114	1.9
99.00767	15.2
99.01315	2.6
101.02328	3.9
109.06474	6.9
111.00767	5.4
111.04433	2.1
112.98701	31.9
113.02346	3.6
115.00278	14.0
116.57047	1.8
125.02437	2.1
129.01849	3.1
142.99779	29.2
145.01343	3.4
161.04468	2.4
163.11191	2.9
167.10622	2.0
171.10141	3.8
173.00818	13.9
174.01624	100.0
175.02431	29.5
177.12772	2.6
178.94200	2.6
180.14742	1.8
181.12337	2.4
194.93727	4.3
196.91800	2.1
197.11803	12.2
205.12248	3.8
205.81885	2.1
207.10208	11.7
209.11769	5.7
211.13347	26.1
221.11737	4.3
223.13364	30.4
224.13681	11.1
225.11269	7.6
225.13490	2.0
235.08205	2.6
237.14966	3.2
239.12906	5.9
253.09291	5.5
263.12854	3.9
289.17999	16.3
290.18552	11.6
291.19418	12.2
293.21201	7.2
307.19144	4.0
309.20621	15.2
353.07608	2.0
356.67197	2.1
431.02615	6.9
448.96402	1.9
474.86234	1.9
482.62726	2.0
584.64612	2.1
647.38000	2.7
673.35736	3.5
689.29755	2.2
691.36334	9.0
733.38782	3.4
751.39172	12.9
752.39594	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	751.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51729	1.6
57.03325	3.1
59.01257	35.7
61.98707	51.3
69.03317	2.4
69.42615	14.8
71.01256	27.8
72.99168	1.9
73.02823	4.7
76.68252	1.5
78.95765	1.7
83.01245	2.6
83.82698	1.6
84.33242	1.5
85.02820	6.0
87.00735	4.9
89.02318	19.1
95.01263	2.2
97.02847	4.6
99.00762	2.3
101.02327	19.2
113.02319	7.7
113.09607	7.4
114.09824	1.6
119.03389	6.6
125.01321	1.5
125.02336	8.1
135.22035	1.7
143.03372	2.5
161.04427	3.6
167.10626	1.9
171.10184	5.7
179.05598	3.7
185.11783	3.9
195.13795	1.6
209.11954	2.6
211.13387	13.8
220.94589	1.7
221.06409	2.8
225.11391	2.4
229.14452	2.6
235.08186	10.4
235.16978	4.4
237.32265	1.8
253.09235	4.3
275.20087	6.7
287.07565	1.9
289.18207	2.0
289.97778	1.5
293.21246	100.0
294.21533	9.1
305.08636	3.1
397.13516	77.9
398.13690	6.5
415.14584	39.6
447.22522	1.8
635.54315	1.8
691.35358	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	751.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.7
57.03325	5.6
59.01254	100.0
61.98704	41.9
62.64947	4.0
64.46605	3.4
65.31438	3.6
69.76759	4.1
71.01259	85.3
71.58097	6.1
72.99184	8.7
73.02812	13.4
75.00734	6.2
78.95770	4.8
79.29344	3.1
83.01272	13.9
85.02834	30.1
87.00759	12.3
88.02291	3.3
89.02332	34.9
95.01244	4.9
96.95888	7.8
99.00784	14.4
100.31019	4.4
101.02314	54.7
101.03325	3.8
111.00739	6.5
113.02334	34.4
119.03386	14.6
125.02325	8.5
142.06117	3.3
143.03323	3.8
150.66588	3.3
161.04463	7.0
166.82851	3.6
169.12280	7.9
174.92815	3.3
179.05548	6.2
193.05032	3.9
197.11775	14.4
209.11700	21.4
211.13383	4.3
226.68272	3.7
269.04254	4.0
289.18558	4.2
397.69046	3.9
485.31165	9.3
490.15201	3.9
503.32095	18.9
504.32413	4.2
626.04932	4.3
630.77240	4.0
647.36621	95.7
648.36975	17.0
665.37531	83.7
666.38019	11.8
707.38446	18.2
708.39484	4.4
719.34674	9.5
751.37671	30.3
752.38220	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	751.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	47.3
61.68177	4.7
61.98709	100.0
68.83004	4.6
69.34879	17.7
69.35310	28.6
71.01256	30.6
73.02805	10.0
75.00763	10.3
76.05173	4.3
78.95775	5.3
79.53005	5.2
80.96397	15.0
83.01267	5.9
85.02833	16.8
87.00758	9.9
89.02328	22.4
96.95910	6.8
101.02314	17.6
111.04388	5.7
113.02328	10.4
121.02785	7.1
125.43165	4.7
133.34612	4.7
160.01550	5.0
165.66547	4.8
171.10164	9.1
181.08641	23.9
199.09688	6.7
209.11771	19.2
211.13344	14.7
235.17001	16.5
237.68324	5.6
275.20157	6.4
293.21280	45.6
397.13461	41.8
403.41339	5.1
415.14624	18.1
693.22504	9.4
733.24841	15.5
733.37537	7.0
734.25409	5.4
751.30188	16.5
773.10870	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	751.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79673	1.7
55.76801	1.6
57.03332	3.0
59.01255	54.9
61.98701	28.0
69.03307	3.1
71.01256	43.7
71.04921	1.7
71.49767	1.7
71.50087	3.1
72.99203	4.0
73.02825	5.0
75.00743	3.3
78.95763	2.1
81.03334	2.7
83.01251	4.7
85.02829	11.1
87.00753	8.9
89.02321	33.8
95.01245	1.8
96.95898	3.0
97.02808	4.7
98.86333	1.8
99.00768	3.4
101.02333	31.1
109.02789	1.9
113.02352	14.0
116.17754	1.5
119.03400	9.0
125.02338	10.9
125.85193	1.4
126.94891	1.6
128.88348	1.6
133.05086	1.8
143.03412	5.3
161.04460	6.1
171.10225	4.1
179.05511	7.6
185.11720	3.4
209.11761	4.9
211.13362	4.7
221.06528	2.4
223.17047	3.1
235.08278	12.5
235.17021	20.5
239.32442	1.6
253.09309	3.7
263.07837	1.8
275.20181	21.1
287.07788	4.1
291.19473	2.5
293.21234	89.9
294.21527	6.8
305.08670	3.2
323.09750	2.1
329.16180	2.5
397.13507	100.0
398.13818	7.0
415.14590	42.7
416.14871	4.2
691.36157	3.7
751.39752	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	751.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	3.4
59.01250	19.6
68.99673	1.9
69.03338	1.4
69.36604	9.2
71.01254	34.6
72.99175	6.7
73.02830	2.4
75.00742	18.6
80.02544	6.3
83.01254	1.4
85.02824	32.3
86.03116	1.1
87.00752	11.3
89.02329	7.8
91.03862	1.2
92.31012	1.0
93.03341	1.1
95.01257	7.4
96.95882	3.0
98.19827	1.7
99.00755	13.2
99.04422	4.7
101.02309	2.2
103.00236	3.2
107.02088	0.9
109.02826	1.1
111.00792	1.9
112.01554	0.9
113.02329	43.9
115.00254	2.2
117.01794	2.3
121.06464	2.2
129.01839	2.8
131.03400	1.1
134.79459	1.0
138.05681	0.9
150.03113	2.0
151.03963	1.2
157.01390	1.2
165.05569	1.7
170.90152	1.1
175.02365	2.6
178.73773	1.2
189.12770	17.1
190.13078	1.8
205.07071	2.9
207.05080	1.5
207.13875	7.2
233.11807	1.5
249.06161	9.5
251.12854	4.6
267.07196	29.9
268.07526	2.1
329.13852	1.3
354.49063	1.1
395.91382	1.1
439.19690	10.6
477.19095	1.9
483.18713	2.1
501.19589	2.5
523.97870	1.0
575.23419	7.9
578.03906	1.1
689.26898	2.0
733.26050	3.1
751.26611	100.0
752.26929	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	751.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23755	1.1
53.71546	1.2
57.03316	5.7
59.01262	21.8
67.01754	1.1
68.99677	1.3
69.03314	1.5
71.01257	34.2
71.57297	1.8
72.99184	8.0
73.02798	2.1
74.03158	1.2
75.00752	16.5
80.02541	4.9
81.03357	1.1
83.01254	2.2
85.02828	34.8
87.00759	12.2
88.98692	1.3
89.02323	7.0
91.03936	1.5
95.01267	6.5
96.95891	8.9
99.00758	13.6
99.04383	4.3
101.02345	2.7
103.00271	1.7
107.33534	1.1
109.02855	1.7
113.02335	41.9
115.00239	3.1
117.01830	2.4
119.04887	4.2
121.06465	1.4
129.01813	2.6
131.03342	1.4
135.04430	1.8
137.02335	2.2
145.02808	1.9
149.04369	1.2
151.03856	1.2
157.01324	1.9
160.01500	1.8
165.05618	1.2
175.02388	2.9
175.03922	2.5
188.99309	1.1
189.12810	15.6
190.13055	1.3
193.05006	1.5
195.47374	1.3
198.47858	1.0
203.07190	1.3
205.05161	1.3
205.06999	2.5
207.05098	2.5
207.13873	7.5
231.05205	1.3
233.11748	1.9
249.06111	7.1
251.12851	4.6
267.04373	2.1
267.07217	35.8
267.68808	1.3
268.07452	2.8
289.07144	1.7
335.51309	1.2
439.19815	9.4
440.20001	1.3
483.18628	1.5
501.19986	2.1
575.23279	5.9
611.22937	1.2
624.76685	1.3
733.25897	1.6
751.26636	100.0
752.27411	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	751.21
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04812	1.4
57.03320	5.3
59.01254	31.0
67.01765	1.7
68.99686	4.4
69.03333	2.7
69.28640	7.4
69.29075	7.5
71.01260	38.0
72.98831	1.3
72.99190	9.7
73.02824	3.0
75.00752	22.9
77.02141	1.8
81.03328	1.7
83.01273	3.8
85.02824	36.0
87.00744	11.3
88.74967	1.7
89.02328	11.7
91.72821	1.5
93.03332	3.9
95.01275	6.4
96.95883	7.4
99.00145	2.5
99.00760	21.3
99.04395	9.0
101.02323	3.4
103.00257	3.0
107.01264	1.5
109.02821	4.9
111.00748	5.1
111.04401	1.7
112.52896	1.5
113.02339	36.0
113.99476	6.0
114.32743	1.4
115.00282	5.3
117.01817	3.5
117.03353	13.9
119.04927	100.0
120.05262	5.6
121.02869	2.1
125.02365	1.9
129.01849	3.3
132.02054	3.1
133.02832	3.4
134.03636	15.3
135.04407	3.4
137.02373	2.1
139.00269	3.6
145.02867	54.8
146.03145	2.1
149.06013	2.5
153.01785	1.8
157.01335	5.1
160.00267	1.9
160.01581	25.2
161.02374	8.1
163.03925	60.0
174.03145	1.8
175.02391	4.8
175.03923	22.0
177.05537	2.5
183.52577	1.5
191.05431	2.0
193.05008	12.3
203.07076	1.9
207.13924	7.9
235.06110	2.2
237.07710	9.2
242.61971	1.6
249.06154	31.8
251.12941	7.1
267.07239	50.1
268.07666	2.8
277.05688	10.0
289.07370	1.8
295.08252	2.1
300.94165	1.6
319.06750	4.3
323.07626	2.1
337.07886	15.1
351.10818	6.5
369.11951	2.2
381.96640	1.4
388.08481	1.5
395.09848	16.4
413.10913	41.8
414.11066	3.7
455.12027	1.7
571.20325	1.8
575.16205	39.5
576.16541	3.8
629.48865	1.6
733.19946	2.4
751.19940	80.6
752.20105	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	751.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.7
57.03334	3.5
59.01253	36.2
65.75323	2.1
68.99696	2.9
71.01257	34.1
72.99171	13.4
75.00755	20.4
83.01280	6.4
85.02830	30.8
87.00751	13.0
89.02301	11.4
93.03352	3.6
94.31939	2.4
95.01268	6.1
96.95894	11.2
98.19770	6.3
99.00768	26.8
99.04394	3.1
101.02341	3.9
103.00264	2.9
111.00779	3.6
113.02345	35.5
113.99496	3.3
115.00258	7.9
117.01965	2.6
117.03360	15.2
119.04922	100.0
120.05229	3.9
125.02344	3.8
129.01874	4.1
131.03409	3.1
132.02130	4.5
133.02907	3.8
133.83774	2.6
134.03624	18.1
135.04427	3.7
139.00307	3.1
142.09178	2.6
145.02847	52.6
149.26070	2.7
150.03076	3.2
151.00211	3.0
157.01347	3.8
160.01584	20.9
161.02306	9.0
163.03928	59.0
175.02484	5.2
175.03928	16.2
179.03395	2.4
193.05045	9.7
207.13853	6.9
229.59583	2.7
235.06143	3.8
237.07666	4.6
249.06175	28.9
251.12955	8.1
267.07217	52.8
277.05627	11.9
289.07196	3.0
299.98373	2.4
323.07642	3.9
337.07724	11.7
351.11081	4.9
395.09644	13.6
410.68158	3.1
413.10971	35.9
431.19492	3.0
494.03778	2.6
575.16217	37.9
690.19482	2.8
751.19745	74.9
752.19867	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	751.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	2.2
59.01250	16.9
64.75067	1.3
68.99695	3.2
69.03311	1.6
71.01255	25.8
71.57738	1.2
72.99188	6.4
73.02846	1.9
75.00751	18.5
78.62388	1.3
83.01261	2.4
85.02349	1.6
85.02830	21.8
87.00742	10.3
89.02311	4.1
91.99313	1.4
93.03352	2.0
95.01276	7.1
96.95866	10.1
99.00761	15.0
101.02303	1.9
103.00242	2.4
105.02792	1.2
109.02825	2.1
111.00777	1.8
113.02340	24.7
115.00246	2.2
117.01843	3.5
117.03346	12.8
119.04923	89.1
120.05264	3.0
129.01826	2.3
132.02031	5.7
133.02847	4.8
134.03638	11.9
135.04424	2.7
145.02869	43.6
146.03230	2.0
149.05936	2.2
151.00296	2.5
160.01584	31.1
161.02380	12.0
163.03926	56.8
164.04233	1.7
175.02435	4.4
175.03908	25.3
176.04567	1.3
179.03366	2.2
193.05022	9.0
193.12683	1.2
231.05136	2.4
237.07687	11.3
249.06129	28.8
267.07184	33.4
268.07489	2.1
323.07736	7.6
337.09158	7.5
351.10739	3.2
395.09689	4.3
413.10916	22.8
448.55072	1.4
501.14279	3.3
557.15247	1.6
575.16272	20.6
576.16736	1.9
734.19257	2.2
751.20886	100.0
752.21179	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.1
57.10968	1.9
58.42098	1.9
58.82293	2.0
59.01255	16.9
60.40931	2.0
64.70443	2.1
71.01252	21.2
72.99194	8.2
75.00744	23.6
78.95795	2.9
79.95615	4.3
80.91542	4.0
80.96389	9.3
85.02827	22.5
87.00764	7.9
89.02286	2.0
94.97948	2.3
95.01283	3.6
99.00751	15.9
101.02357	2.5
103.00243	3.2
113.02331	30.0
117.01837	3.6
129.87476	2.2
133.62004	2.1
152.99512	3.4
153.26491	2.2
171.10175	23.1
175.02403	5.0
195.76837	2.9
199.09686	8.0
207.10184	6.0
216.27345	2.1
222.89766	2.4
225.11290	6.8
229.23497	2.0
243.12341	2.2
246.98149	2.1
249.06105	4.7
255.23286	100.0
256.23657	8.7
487.29382	3.3
505.30206	9.7
506.30487	2.9
633.86328	2.4
659.40204	29.3
660.40082	3.7
687.39532	20.4
688.39600	5.6
713.40936	23.4
714.41962	3.8
731.42078	9.6
749.41980	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	751.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	6.8
71.01256	9.6
71.58103	11.7
75.00747	18.8
78.94826	6.0
83.01260	10.7
93.03342	6.7
95.01229	6.2
96.95855	14.8
109.02830	30.6
121.02886	14.5
123.04384	19.5
125.02351	75.9
125.31543	6.7
133.02896	9.3
135.00781	10.5
135.02925	13.5
137.02350	48.6
149.02307	9.8
151.03894	11.8
161.02348	30.9
163.00316	100.0
163.03911	8.8
164.01071	11.1
165.01836	28.3
175.03935	20.8
176.01064	15.9
177.01825	10.7
187.03874	8.6
189.01880	20.2
199.03908	11.6
215.03566	10.5
217.01335	10.9
221.00726	8.1
239.03467	11.4
243.02980	10.4
245.08209	13.3
255.02808	15.9
257.04578	20.1
267.02957	17.1
268.03543	11.7
269.04544	45.8
270.05347	20.4
275.03146	7.0
281.04904	7.4
283.02493	34.1
287.05707	10.3
289.07196	65.1
295.02344	16.9
296.03177	10.5
297.04059	19.0
299.05826	9.1
312.02747	10.4
313.03503	13.1
325.03427	19.9
327.05191	11.9
407.07825	39.6
419.07761	28.1
420.08054	7.8
421.09238	20.4
425.08743	29.9
445.05399	21.5
447.06995	22.6
451.10410	11.8
463.06702	76.4
464.07343	17.5
465.08188	28.6
492.06985	11.7
499.97516	7.6
615.11389	42.8
616.11627	9.4
624.70001	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	749.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06818	0.5
59.01259	0.8
62.29121	0.5
63.19609	0.5
63.96133	1.3
69.03316	1.0
69.50337	2.6
69.50764	1.5
71.01260	7.0
73.02816	1.3
76.09126	0.5
78.98460	6.1
79.95609	12.2
80.96395	69.3
81.03317	0.7
85.02812	2.7
87.00745	2.7
94.97963	16.6
94.98566	0.9
96.95896	1.5
97.02817	1.8
98.20557	1.0
99.00781	0.7
100.78836	0.6
101.02337	2.2
106.97974	3.5
113.02264	0.5
122.97441	2.4
125.02319	2.9
134.97504	3.7
136.99075	1.7
148.99046	5.8
152.98546	5.1
154.80077	0.5
164.98557	9.0
184.72513	0.6
201.78961	0.5
206.99591	1.9
211.13301	1.5
225.00693	15.2
255.23212	2.1
355.79099	0.6
385.42853	0.8
493.17532	2.0
537.27081	1.2
543.87311	0.6
749.41534	100.0
750.41833	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	749.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.1
56.23621	2.3
59.01253	36.3
61.98699	10.1
71.00892	3.6
71.01262	37.9
72.99187	9.9
73.02830	8.9
75.00756	9.5
78.95784	3.3
81.03345	2.8
83.01246	6.3
85.02831	15.5
87.00768	8.7
89.02316	22.5
96.95898	4.9
99.00772	5.6
101.02331	20.7
106.12315	2.5
109.02833	7.8
113.02353	19.5
115.00270	2.7
119.03359	6.1
121.02892	3.3
125.02348	8.9
137.02365	39.5
165.12766	17.4
175.02463	2.9
179.05562	3.9
181.08629	6.0
183.13705	2.9
209.11798	5.9
211.13345	7.2
235.08192	8.2
247.20625	8.5
253.09245	4.0
263.10507	2.8
273.18658	5.0
277.89200	3.0
287.22327	4.6
291.19690	100.0
292.19962	9.2
298.08417	5.3
313.10864	17.6
343.11816	5.0
381.63593	3.8
382.92316	2.9
387.11111	18.3
397.13528	58.8
415.14691	31.0
689.34070	8.5
749.37109	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73396	1.5
54.38661	1.7
59.01265	12.7
61.98702	7.9
62.54698	1.5
71.01245	8.2
72.99194	2.4
73.02820	2.0
75.00747	9.3
78.95764	4.7
80.96390	3.5
81.56823	1.6
83.01237	1.6
83.04837	2.3
85.02815	3.7
89.02322	6.1
93.03356	2.4
96.95886	3.7
101.02329	5.3
109.02837	5.9
113.02343	3.8
121.02818	4.7
129.93877	1.5
148.49622	1.8
149.99516	3.0
163.11113	1.9
166.51709	1.8
171.10114	2.9
175.00294	3.7
179.05701	1.8
183.13792	2.3
201.11089	2.2
207.10248	1.9
209.11777	50.2
211.11499	2.4
211.13356	36.1
226.06282	1.6
227.03421	2.1
227.12860	7.4
235.08098	2.6
253.09305	3.0
255.02907	2.6
256.03931	3.0
271.02386	4.7
284.03076	2.1
291.19653	16.8
295.02438	6.1
299.01697	2.0
300.02734	1.8
309.00055	1.8
312.02625	1.7
313.03622	2.6
390.07242	1.7
397.13425	11.9
415.14569	5.8
445.21097	2.0
447.22476	2.4
453.19202	6.0
521.05664	1.8
525.50812	2.1
545.18317	11.9
546.18579	2.4
602.21613	32.6
603.22382	24.5
604.22906	2.7
620.47296	2.0
689.34528	5.7
749.28180	100.0
750.28265	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	749.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.9
57.03312	4.6
58.00458	2.4
58.48106	1.5
59.01252	30.7
62.05167	1.3
67.01768	2.0
67.07598	1.4
69.03315	2.2
71.01257	50.1
72.99191	8.9
73.02817	3.7
75.00752	25.8
81.49960	1.4
82.10777	1.5
83.01252	2.6
83.04904	1.7
85.02822	41.1
86.03139	1.4
87.00748	17.6
88.98682	6.3
89.02324	14.6
93.03319	2.8
95.01263	8.9
96.95904	7.6
98.19791	4.2
99.00761	14.5
99.04371	2.2
101.02321	3.4
103.00247	4.0
111.00788	2.3
113.02336	46.5
113.05943	1.4
115.00235	4.1
117.01800	4.4
119.04915	8.2
129.01775	2.2
135.04375	3.1
137.02341	1.8
145.02785	1.8
148.32643	1.5
149.02383	1.8
150.03078	1.7
151.03880	1.6
157.01367	2.2
160.03987	2.4
161.13274	12.6
162.13632	1.7
163.03775	2.2
164.04749	1.8
165.01851	1.5
165.05428	2.7
175.02359	3.1
187.11238	10.5
195.06531	2.2
205.05214	1.7
205.07037	8.6
205.12276	12.1
207.05051	2.6
249.06082	15.2
249.11264	1.8
267.07220	60.7
268.07617	1.9
289.07114	3.2
315.14420	1.4
363.12903	2.3
437.17892	4.8
481.17041	4.5
499.17859	2.4
573.21710	7.4
701.03033	1.5
731.24695	1.7
735.46594	1.6
749.25073	100.0
750.25470	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	749.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	3.2
63.02267	2.7
65.00198	10.0
71.01257	2.5
71.58111	1.1
81.51225	0.7
83.01260	5.7
85.02824	0.8
89.02330	1.0
93.03335	1.8
94.03736	0.9
107.01276	17.6
108.02114	1.1
109.02840	2.0
113.02345	1.6
119.04943	2.9
125.02293	0.9
133.02934	1.2
145.02879	1.7
151.00281	100.0
152.00734	2.3
163.03969	2.5
164.04515	0.8
165.01830	0.9
165.05464	0.8
169.01373	3.4
171.74709	0.7
173.04483	1.5
174.01682	0.8
175.03949	1.1
178.99785	92.6
180.00156	3.3
180.04242	0.9
181.01457	1.2
181.04939	1.4
190.02682	0.7
195.06572	0.8
205.05098	1.2
230.51459	0.9
243.02873	1.6
271.02524	5.8
287.01959	2.1
299.01987	1.6
300.02673	3.9
301.03424	3.2
315.01459	16.7
316.01743	1.7
320.08820	1.2
367.10815	0.8
433.07501	3.8
701.27850	1.2
749.25433	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.9
57.03334	5.9
58.00452	1.2
59.01253	28.7
62.14654	1.2
69.03304	1.3
70.33613	2.0
70.34026	4.8
71.01257	48.0
72.99178	8.3
73.02818	3.8
75.00748	22.5
81.03361	1.2
81.62629	1.0
83.04886	1.5
84.20171	1.1
85.02822	41.5
87.00740	15.0
88.98699	1.3
89.02323	9.6
91.03860	2.0
93.03340	3.6
95.01272	8.2
99.00273	1.4
99.00769	14.9
101.02322	3.7
103.00240	4.7
104.67698	1.1
107.04957	1.5
109.02843	2.1
111.00748	1.5
113.02327	44.2
115.00274	2.3
117.01807	2.9
119.04917	7.4
120.05273	1.3
121.02815	1.0
129.01816	4.0
131.03404	1.8
137.02315	2.1
145.02846	3.3
146.03517	1.1
149.02338	1.9
149.04535	1.5
150.03116	6.7
151.03583	2.1
156.09258	1.0
157.01381	1.1
159.11745	1.2
160.01591	2.0
161.13252	14.8
163.03880	4.0
165.05455	8.5
166.05872	1.6
173.04425	2.3
174.04895	1.2
175.02382	3.7
175.03947	4.1
179.07002	1.2
187.11241	11.1
190.02631	1.8
191.05560	1.8
195.06525	4.6
196.06819	2.4
205.07098	5.0
205.12306	16.6
207.05045	2.5
231.05209	1.3
233.06645	1.7
249.06142	11.6
267.07211	59.9
289.07220	1.4
319.08228	1.7
320.08557	2.1
321.08673	1.5
437.18106	2.5
481.17078	3.7
533.15552	1.7
573.22125	6.6
687.25049	2.0
731.24219	1.7
749.25061	100.0
750.25232	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	749.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	3.2
63.02267	2.7
65.00198	10.0
71.01257	2.5
71.58111	1.1
81.51225	0.7
83.01260	5.7
85.02824	0.8
89.02330	1.0
93.03335	1.8
94.03736	0.9
107.01276	17.6
108.02114	1.1
109.02840	2.0
113.02345	1.6
119.04943	2.9
125.02293	0.9
133.02934	1.2
145.02879	1.7
151.00281	100.0
152.00734	2.3
163.03969	2.5
164.04515	0.8
165.01830	0.9
165.05464	0.8
169.01373	3.4
171.74709	0.7
173.04483	1.5
174.01682	0.8
175.03949	1.1
178.99785	92.6
180.00156	3.3
180.04242	0.9
181.01457	1.2
181.04939	1.4
190.02682	0.7
195.06572	0.8
205.05098	1.2
230.51459	0.9
243.02873	1.6
271.02524	5.8
287.01959	2.1
299.01987	1.6
300.02673	3.9
301.03424	3.2
315.01459	16.7
316.01743	1.7
320.08820	1.2
367.10815	0.8
433.07501	3.8
701.27850	1.2
749.25433	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21696	1.2
53.36461	1.6
57.03323	2.4
57.74153	1.0
59.01249	15.0
67.01760	1.3
69.07889	1.0
71.01257	23.1
71.20205	2.1
72.99180	7.1
73.02816	1.9
74.75642	1.0
75.00747	22.2
81.03342	1.2
83.01247	1.8
85.02825	23.2
87.00761	6.1
89.02316	4.4
95.01260	5.1
99.00764	16.0
103.00245	2.6
113.02337	26.7
115.00249	2.6
117.01793	2.3
129.01811	1.6
163.11246	2.1
165.12807	2.0
175.02365	4.9
209.11777	39.4
210.12059	2.1
227.12923	2.7
232.42087	1.2
249.06305	2.6
255.23282	94.3
256.23602	5.4
505.30060	4.4
592.16901	1.4
715.42749	100.0
716.43042	21.0
747.45398	61.5
748.45923	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	747.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.3
61.98700	1.0
65.35403	0.8
71.01254	5.5
71.58083	1.8
73.02871	1.1
83.01288	0.8
84.50009	0.8
85.02836	2.9
89.02326	2.1
93.03344	6.4
95.01321	1.2
95.04942	1.0
96.95886	1.9
99.00767	1.1
101.02341	1.9
104.32111	0.8
108.02072	1.1
109.02824	4.2
113.02366	1.8
119.04932	2.3
120.01130	1.4
121.02846	12.4
122.03635	12.4
123.04429	1.7
124.01616	1.1
126.09209	0.9
132.02075	1.8
133.02875	4.7
134.03632	6.7
135.04465	5.2
136.01590	2.6
137.02344	3.4
138.66975	0.9
139.00276	0.9
145.02913	1.0
147.04445	3.4
149.02361	30.7
149.05971	5.7
150.03143	90.2
151.00259	1.1
151.03711	3.8
152.01022	1.1
153.01859	1.2
155.03421	1.5
160.01591	3.7
161.02405	1.4
161.06036	1.5
162.03021	1.1
163.03941	7.4
164.04753	7.1
165.05499	100.0
166.05820	3.7
170.84557	0.9
171.28471	0.9
173.04538	4.7
173.05928	1.1
174.03192	2.1
175.03917	16.2
176.04713	2.4
177.05508	3.2
178.02649	2.5
179.03413	2.2
179.07062	2.0
180.04205	13.5
181.04933	1.5
188.04677	1.9
189.05511	3.8
190.06284	10.5
191.03401	0.9
191.07076	8.6
193.04980	12.7
194.05763	7.9
195.06577	47.8
196.06889	2.4
205.04939	0.9
205.08669	11.0
206.05869	0.9
207.06657	4.9
208.07352	8.3
225.07878	0.9
233.06769	1.0
297.11502	1.5
337.09348	2.1
344.12585	3.0
345.13495	3.1
349.09253	3.5
357.13437	4.4
358.14349	1.6
359.14999	53.0
360.15427	5.1
375.14569	1.5
388.15323	1.4
389.15872	4.8
461.16196	1.0
507.20276	4.6
522.18500	1.2
531.14954	1.6
537.21301	56.6
538.21625	6.5
555.21875	2.2
567.21881	1.1
585.23389	37.2
586.23657	6.9
687.19403	3.0
729.05267	1.1
747.22644	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	747.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.7
67.01774	1.1
71.01262	6.2
72.98797	0.8
73.02832	1.1
81.03327	1.0
83.01246	1.0
85.02822	2.2
87.00745	1.6
89.02313	5.4
93.03339	9.4
96.95869	1.2
99.00776	0.8
101.02338	2.2
108.02081	2.5
109.02827	2.7
111.04389	1.3
113.02331	1.8
117.03362	2.1
119.03382	2.2
119.04919	14.5
121.02852	7.5
122.03632	11.1
123.04368	0.9
124.01511	1.6
124.72969	0.7
131.03366	0.8
133.02832	2.0
134.03687	1.1
134.17076	0.8
135.04401	1.8
136.01576	1.1
137.02354	4.3
143.03329	0.8
145.02855	6.0
149.02357	18.4
150.03139	82.8
151.00288	0.9
151.03537	3.3
152.01024	1.8
153.01860	2.4
155.03471	1.9
161.02458	1.3
162.03154	2.6
163.03918	12.1
164.04759	4.6
165.01813	3.1
165.05492	93.8
166.05824	3.5
173.04533	7.0
174.03146	1.2
175.00279	2.7
175.03897	4.9
176.01155	1.4
177.05553	4.1
178.99821	1.2
179.03477	1.2
179.07080	1.3
180.04214	9.5
181.04941	1.3
189.05571	1.8
190.02699	5.7
190.06303	5.4
191.03352	2.2
191.07028	4.1
193.04985	2.1
194.05809	2.0
195.06577	100.0
196.06935	4.1
205.04991	7.0
205.08643	4.6
207.06621	1.3
208.07353	2.8
210.05318	0.8
223.06133	2.5
233.06602	1.7
260.25256	0.8
293.66095	1.0
319.08179	11.3
345.13412	1.6
353.08521	1.2
357.13409	1.0
358.13934	1.6
359.15005	34.5
360.15421	2.2
367.10397	10.2
368.10376	1.2
389.15802	1.7
480.92422	0.8
531.15308	5.4
537.21063	5.5
538.21753	0.9
541.15668	0.9
585.23407	22.5
586.23700	2.2
629.29242	0.8
687.19287	2.3
688.20264	1.0
699.26459	3.5
747.19897	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	747.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	80.7
60.99209	7.2
71.57934	5.7
87.00754	6.1
88.98697	22.6
89.02310	8.2
97.28224	6.4
113.02374	6.4
208.81471	5.3
233.11830	8.6
237.08284	6.3
251.12912	15.1
259.49118	6.5
267.03036	5.6
277.21829	9.5
324.77872	5.9
410.91837	5.7
420.33591	5.8
469.18668	8.4
495.16690	13.0
497.21976	9.4
499.17160	7.9
523.16058	18.2
524.16394	8.1
526.14838	19.4
527.18835	6.4
541.20898	12.5
569.17065	11.4
596.19049	50.6
597.20160	50.4
598.19989	8.5
599.21436	7.9
601.23029	66.8
602.23633	16.3
612.18744	50.4
613.19012	16.3
614.20074	13.9
627.20416	7.8
628.18201	15.4
631.23944	23.3
655.20300	54.0
656.20422	14.1
657.22003	12.6
672.20947	100.0
673.21283	30.1
687.23071	16.7
688.22894	9.1
747.25562	9.5
748.27240	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	747.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
63.50070	0.7
69.24881	7.5
72.73241	0.7
78.95773	1.7
80.96380	2.4
94.97933	1.1
98.20582	1.5
140.72057	0.7
157.55632	0.8
164.98625	0.7
271.80722	0.7
272.91483	0.7
277.21744	1.7
455.17300	3.1
456.17685	0.9
467.13391	1.0
469.11130	1.4
473.18295	4.6
483.13345	1.0
496.13782	1.9
510.15558	0.8
512.13281	10.1
513.13629	2.3
526.14972	9.1
527.15289	3.4
569.16638	1.3
599.17297	1.1
600.18890	0.9
601.19263	3.6
602.20081	1.0
613.19208	1.6
614.20184	70.7
615.20502	16.0
632.18115	1.9
646.19128	9.1
647.19171	2.1
673.21045	1.2
687.22998	5.8
688.23126	1.8
734.34399	1.0
747.25195	40.9
748.25311	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	747.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26746	0.3
59.01257	3.4
61.98704	0.7
63.02282	1.3
65.00214	1.0
70.50438	0.2
71.01250	1.7
71.12749	0.3
72.99193	0.4
83.01265	0.9
85.02831	0.7
87.00770	0.4
89.00228	0.3
89.02328	0.6
95.01282	0.4
97.19395	0.3
99.00761	0.4
101.02338	0.6
107.01292	1.6
109.02830	1.6
110.82536	0.3
113.02354	0.7
129.29478	0.3
131.04936	0.4
133.02852	2.4
143.04907	1.1
145.02777	0.5
147.00865	0.4
147.04398	0.3
149.02316	0.5
151.00281	2.2
155.04958	0.8
157.02895	1.0
161.02361	0.4
169.01350	0.3
171.04462	2.6
173.02396	0.9
175.03975	1.6
178.99727	0.5
181.08710	0.7
183.04379	0.6
185.02443	0.3
187.03961	1.8
189.05568	0.4
195.51070	0.3
197.02371	0.7
198.03181	1.0
199.03972	7.5
200.04286	0.4
201.01913	2.3
203.03426	0.6
209.11655	0.4
214.02710	0.4
215.03455	2.5
226.02679	1.3
227.03479	3.5
228.03735	0.4
241.01480	0.5
242.02147	1.1
243.02942	4.7
244.03502	0.4
249.06177	0.7
255.03030	2.7
270.01663	0.7
271.02484	48.2
272.02829	3.3
282.01553	0.4
283.02393	1.6
290.01080	0.3
298.01227	0.6
299.01971	100.0
300.02423	10.6
301.03323	1.6
316.02328	0.4
407.44070	0.3
430.33142	0.3
431.15579	1.8
445.07626	1.6
447.09204	1.5
448.09833	0.3
461.07306	0.4
496.80215	0.3
498.46252	0.3
674.20685	0.4
746.33710	0.5
747.32513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40452	0.3
59.01252	2.3
61.98701	0.7
63.02279	1.1
65.00219	0.8
69.03342	0.4
69.03792	0.3
69.48800	0.6
69.49194	2.2
71.01247	1.7
72.99183	0.3
73.02827	0.6
75.00755	0.6
78.95821	0.2
83.01262	1.0
85.02840	1.2
87.00790	0.5
88.98698	1.0
89.02321	1.0
93.03366	0.3
95.01274	0.4
96.95881	0.9
99.00725	0.6
101.02331	0.9
102.53470	0.3
103.35099	0.3
107.01288	1.5
108.02074	0.4
109.02798	1.5
111.36859	0.3
113.02326	1.0
121.02824	0.6
123.04408	0.4
133.02852	2.6
134.03621	0.3
135.00739	0.5
143.04936	1.1
145.02867	0.5
147.00786	0.3
147.04427	0.8
149.02377	0.5
150.03165	0.4
151.00259	2.1
155.04897	0.6
157.02859	0.8
159.04453	0.9
160.01552	0.4
161.02386	0.4
161.05832	0.3
163.03963	0.5
169.01320	0.4
170.21378	0.3
171.04430	2.9
173.02415	0.6
173.04475	0.3
175.02577	0.5
175.03911	2.1
175.07567	0.3
178.99719	0.6
181.08618	0.4
183.04485	1.0
187.02548	0.3
187.03928	1.8
190.02716	0.4
193.05003	0.4
196.60748	0.3
197.02386	0.6
198.03142	0.7
199.03967	6.7
200.04213	0.5
201.01903	1.7
203.03453	0.7
209.11766	1.0
211.04088	0.3
211.13316	0.3
213.01807	0.3
214.02626	0.6
215.03493	2.4
221.06348	0.3
226.02629	1.2
227.03452	4.0
228.03786	0.4
241.01372	0.9
242.02196	1.3
243.02933	4.1
244.03053	0.3
245.00934	0.3
255.02980	5.0
270.01688	0.9
271.02481	46.1
272.02805	3.0
282.01810	0.3
283.02490	6.4
284.03033	0.9
287.01791	0.3
298.01111	0.3
299.01965	100.0
300.02429	8.7
301.03369	2.3
431.15793	0.5
445.07727	0.9
447.09372	1.9
461.07205	1.1
462.07953	0.7
473.27380	0.3
497.26254	0.3
521.18347	0.4
747.34119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	3.5
59.01040	3.0
59.01255	30.7
62.22021	3.4
63.07887	3.0
65.00198	5.5
69.09422	3.5
71.01257	6.1
93.03333	12.3
98.19772	10.2
107.01291	4.8
108.02071	3.9
119.04908	24.1
130.98201	3.5
133.02861	4.1
133.84694	3.3
134.03590	4.8
137.02332	14.1
142.12544	4.3
145.02788	4.5
151.00278	14.6
155.03479	6.9
163.03926	22.6
173.04472	11.5
175.03935	6.0
178.99802	10.1
180.44154	4.0
190.02686	8.5
193.04976	4.9
199.03897	6.6
205.05029	8.1
214.02631	4.2
215.05602	17.4
215.36967	3.5
243.03023	5.6
271.02527	54.8
272.02582	4.6
274.60019	4.0
280.29108	3.5
299.01968	100.0
300.02631	23.8
319.07870	5.5
330.42017	4.8
367.10403	6.1
447.09290	6.9
531.14948	19.5
559.01758	4.0
687.18884	8.6
715.87518	3.9
747.22046	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	745.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54103	1.1
59.01254	5.8
65.24530	1.1
69.62289	6.4
69.62708	2.6
71.01254	3.1
72.99194	1.2
80.74840	1.3
85.02831	1.3
89.02332	2.2
93.03357	4.2
101.02307	1.3
107.04913	1.2
108.02032	1.4
109.02861	1.2
111.04356	1.2
119.03381	1.4
120.01142	1.9
121.02856	11.7
122.03625	16.6
122.66322	1.0
123.00851	1.5
123.04435	1.9
123.15401	1.1
124.01572	1.6
125.02225	1.4
133.02841	2.4
134.03622	1.6
135.04395	7.9
136.01559	21.4
137.02333	4.0
147.04434	1.7
149.02345	22.1
149.06013	1.5
150.03137	90.6
151.00270	6.2
151.03938	24.0
151.88362	1.1
152.01097	2.0
160.05179	1.3
161.02365	1.3
162.03183	1.7
163.03888	2.3
164.04742	8.2
165.05489	100.0
166.02617	16.0
166.05815	4.4
167.03400	3.2
172.05254	1.4
175.03879	5.0
177.05473	2.3
180.04207	7.5
181.05006	18.7
181.08635	1.7
183.21292	1.0
189.05501	2.1
190.06293	7.3
195.06567	74.0
196.06931	3.5
199.09773	1.3
205.05037	2.2
205.08669	1.4
257.62015	1.2
282.05566	1.5
314.03998	1.4
315.08539	1.3
329.10065	1.9
342.11093	1.6
356.12555	2.3
357.09576	3.2
357.13461	11.9
367.09998	1.5
372.12207	3.4
373.12915	2.7
375.14655	1.3
386.13727	2.0
387.14508	54.2
388.14755	3.6
505.19104	1.9
513.28699	1.4
535.19696	59.8
536.20129	9.8
553.21002	2.4
565.20929	2.8
575.41791	1.4
583.21765	25.4
584.22198	4.7
609.04071	1.3
720.10876	1.2
745.27368	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	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.8
57.03309	2.1
58.00465	3.4
59.01251	60.2
60.01582	1.2
61.98697	2.5
71.01255	45.0
72.99184	5.4
73.02814	1.5
75.00734	2.1
83.01248	2.7
85.02825	9.6
87.00770	4.1
89.02321	52.1
93.03344	3.4
95.01269	2.9
96.95897	7.2
99.00771	0.9
101.02320	20.5
108.02089	2.1
109.02820	2.0
113.02333	18.2
117.03354	1.1
118.93439	0.7
119.03401	19.5
119.04844	1.4
120.01109	1.2
121.02837	7.7
122.03630	12.7
123.00783	1.3
123.04395	1.5
124.01601	1.1
125.02323	1.7
131.03378	3.4
133.02841	2.7
134.03630	1.9
135.04419	1.6
136.01564	18.3
137.02408	4.4
137.05975	0.9
139.03897	0.9
143.03375	4.4
145.02910	4.2
146.03601	1.7
147.04411	1.9
149.02356	18.5
149.04390	1.6
149.05994	0.8
150.03133	91.5
151.00287	4.7
151.03935	18.8
152.01080	1.5
153.01881	1.0
160.01631	1.1
161.02388	5.6
161.04431	3.9
161.05795	1.1
162.03142	21.3
163.03854	1.8
163.07539	1.1
164.04701	4.0
165.05493	100.0
166.02654	14.4
166.05875	4.5
167.03174	1.1
175.03951	1.9
177.01900	0.9
177.05501	12.7
179.03484	1.2
179.05539	8.9
179.06978	1.5
180.04158	7.2
181.04990	16.8
190.02682	0.8
190.06287	1.1
191.03441	0.8
195.06569	99.9
196.06879	4.9
201.11316	2.1
205.05052	1.4
209.11795	3.1
223.06233	0.8
315.14490	1.8
342.11060	1.8
357.09814	3.5
357.13745	6.6
367.10281	1.1
372.12155	2.5
387.14511	30.8
387.19727	1.1
388.14798	2.3
535.19513	3.7
547.19727	5.1
553.20996	1.0
583.21771	13.6
584.22070	2.1
701.25702	1.6
744.37628	1.2
745.25421	1.9
745.36957	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	745.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	10.5
59.01255	27.5
61.98705	1.7
62.23389	1.1
67.00912	1.1
67.05402	4.9
69.03332	25.3
71.01249	12.7
71.57331	1.6
72.99165	3.1
73.02815	4.4
75.00740	1.8
85.02837	7.1
87.00745	2.2
87.99236	1.1
88.98678	4.4
89.02319	6.2
93.03343	1.7
96.95888	3.1
99.00758	3.7
101.02319	5.4
109.02897	1.2
111.04388	5.3
113.02338	9.7
119.04921	1.3
119.08537	1.4
121.10101	2.0
125.02352	1.8
125.09609	14.0
137.02348	1.5
149.02371	2.1
150.03098	1.8
153.01819	9.5
155.10660	2.1
160.01558	2.6
161.04437	1.6
164.04628	2.0
168.04195	15.6
169.08604	12.8
175.00348	1.6
175.03822	2.7
181.08623	100.0
182.08940	5.0
183.06569	14.8
186.63304	1.3
190.02629	3.6
193.05006	1.9
199.09689	61.6
200.09959	2.6
201.11194	1.6
205.04988	4.1
209.11687	2.2
222.31778	1.4
223.05986	1.5
255.02847	1.7
271.02448	2.5
285.04059	5.8
300.02710	5.0
315.14566	1.6
329.15958	4.3
436.18420	1.5
459.14911	7.5
501.15948	1.9
519.17084	17.6
520.18219	1.6
539.28326	2.9
597.24146	2.0
627.30389	7.0
744.38318	1.6
745.33099	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	743.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11366	1.6
53.70987	2.0
55.01758	1.7
59.01254	37.2
61.98703	8.3
62.92099	1.5
71.01249	7.1
73.02851	1.5
78.95773	3.0
85.02802	2.7
87.00772	3.1
89.02288	3.5
98.20557	4.8
101.02318	5.3
113.02352	3.4
115.42715	1.5
148.99695	1.8
151.11194	4.8
169.12265	37.6
170.12567	5.3
171.10187	76.6
171.11659	3.7
172.10587	4.2
195.13835	2.9
197.11755	1.9
211.13451	2.3
213.11195	5.6
229.63858	2.3
231.12354	4.5
253.09247	5.8
255.23346	1.7
275.20102	2.1
284.60287	1.9
293.21280	15.2
309.20935	2.4
374.39267	1.5
400.41309	1.5
407.88617	1.6
467.21625	3.1
496.04544	2.0
507.27176	2.6
633.09210	1.8
691.71283	1.9
725.41071	2.7
743.42212	100.0
744.42651	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	743.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94126	0.6
55.01762	0.9
57.03310	2.5
58.00475	0.7
59.01252	18.7
61.98711	1.1
67.01758	0.8
68.12044	0.5
68.99683	1.4
69.03337	1.2
69.25903	1.5
69.26305	4.7
71.01254	19.7
71.04882	0.6
72.99187	5.4
73.02806	2.0
75.00749	11.7
80.47505	0.5
83.01250	2.0
84.02048	0.6
85.02821	15.6
85.94759	0.5
87.00765	6.0
89.02325	7.0
93.03367	0.6
95.01257	3.0
96.95956	0.6
97.02819	0.7
99.00761	7.0
101.02335	4.9
103.00233	1.0
108.02022	1.1
109.02831	0.8
111.00775	0.8
113.02341	13.9
115.00255	1.7
116.92783	0.7
117.01809	1.4
119.03345	1.8
119.04941	0.7
121.02817	1.0
122.02323	1.3
123.00771	1.7
124.01566	4.4
125.02341	11.9
127.11179	1.1
129.01834	1.0
135.04332	0.9
136.01505	0.9
137.02356	0.9
145.02821	0.7
149.02325	1.2
149.99507	6.0
151.00185	0.7
151.03908	2.0
152.01068	0.6
157.01334	0.8
165.05490	1.6
168.00552	10.4
169.01347	2.6
171.10144	1.9
175.00226	1.7
175.02487	1.3
175.03900	2.9
190.02678	3.7
193.04964	2.0
201.11324	0.7
205.04965	3.5
206.05363	0.6
223.06009	1.6
249.06142	4.4
267.06982	1.1
285.03821	0.7
295.22629	1.1
299.01984	0.7
312.10110	0.8
313.23810	8.4
317.56027	0.6
322.73846	0.5
327.12347	2.5
328.12387	0.7
329.23267	2.2
331.06564	1.9
331.24924	17.9
332.25143	1.7
359.16705	0.6
367.10336	7.6
368.10721	0.7
423.16071	0.6
475.28729	1.7
491.09641	1.4
493.30142	8.7
494.30362	0.9
563.17218	1.1
616.16602	0.5
725.36438	1.3
743.24139	16.0
743.36914	100.0
744.24792	3.5
744.37347	17.8
764.78204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.9
58.00463	1.2
59.01257	17.5
61.98711	1.0
63.26028	0.7
67.01743	1.1
69.03342	1.0
69.26550	5.1
69.26976	2.2
71.00896	1.3
71.01263	18.6
72.99186	4.9
73.02822	2.3
75.00756	11.1
76.01042	0.7
78.38182	0.6
78.95782	0.6
83.01266	1.3
85.02827	13.4
87.00765	5.1
88.98689	1.4
89.02319	5.5
89.03701	0.7
95.01284	3.6
95.61149	0.6
96.95882	1.2
99.00758	7.4
101.02351	5.6
103.00282	1.1
109.02856	0.8
111.00760	1.1
113.02341	11.7
113.67399	0.6
115.00232	1.4
116.92839	0.7
117.01831	1.1
119.03391	1.2
119.04918	1.3
121.02851	0.8
125.02369	1.4
127.11195	1.4
131.03531	0.6
137.02339	1.1
146.03648	1.7
149.02364	1.4
150.03098	0.8
151.03920	1.6
157.01308	1.0
160.01588	1.1
162.03209	0.8
163.03864	0.9
164.04688	2.4
165.82562	0.6
169.01328	1.7
171.10165	0.7
175.00314	1.5
175.02412	1.3
175.03851	1.4
179.07059	0.9
190.02657	3.9
191.03172	0.8
193.04916	0.9
193.85239	0.6
205.05045	4.0
205.06758	0.7
212.14986	0.7
221.08189	1.1
223.06110	2.0
249.06099	3.9
265.07208	2.3
267.07269	1.0
295.08362	1.4
295.22729	1.7
313.23862	7.6
315.14676	1.3
325.09457	1.0
327.12146	0.7
329.23294	1.7
331.24921	16.5
332.25287	1.4
337.09128	1.7
367.10345	4.1
475.29160	1.0
493.30188	9.2
494.30692	1.2
607.48328	0.8
712.23224	0.9
725.36182	1.1
743.37134	100.0
744.25323	1.2
744.37457	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	743.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.2
59.01257	44.9
60.22630	4.1
61.98697	10.2
64.83421	3.9
71.01264	34.2
71.58160	6.9
72.99194	6.7
73.02810	10.0
75.00748	6.3
78.95792	5.0
80.01441	4.7
80.27553	4.4
85.02837	15.7
87.00735	6.4
89.02306	24.6
92.55710	3.9
96.95887	5.6
97.02814	8.9
99.00809	5.9
101.02329	23.6
113.02353	14.1
119.04905	6.2
121.02853	11.0
125.02294	6.6
134.03641	10.7
137.02403	8.2
145.02811	8.0
149.02345	19.1
149.05846	6.9
149.09578	9.1
150.06691	6.7
160.01570	6.6
161.04469	5.4
162.03072	4.9
163.07556	5.5
164.04709	12.1
165.12703	5.2
171.10161	7.6
190.02702	14.9
193.05003	8.3
197.15399	4.1
205.05020	16.6
209.11658	7.5
211.13298	9.0
222.05293	8.5
223.06044	17.0
235.08218	6.9
291.19815	25.4
297.87222	4.6
302.87363	4.9
303.46667	4.6
309.20746	100.0
310.21442	5.4
327.22040	5.3
397.13553	52.9
398.13849	6.5
415.14548	36.6
495.37354	7.9
633.98938	4.6
707.35431	10.3
743.32672	51.0
744.34839	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	743.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.9
58.00463	1.2
59.01257	17.5
61.98711	1.0
63.26028	0.7
67.01743	1.1
69.03342	1.0
69.26550	5.1
69.26976	2.2
71.00896	1.3
71.01263	18.6
72.99186	4.9
73.02822	2.3
75.00756	11.1
76.01042	0.7
78.38182	0.6
78.95782	0.6
83.01266	1.3
85.02827	13.4
87.00765	5.1
88.98689	1.4
89.02319	5.5
89.03701	0.7
95.01284	3.6
95.61149	0.6
96.95882	1.2
99.00758	7.4
101.02351	5.6
103.00282	1.1
109.02856	0.8
111.00760	1.1
113.02341	11.7
113.67399	0.6
115.00232	1.4
116.92839	0.7
117.01831	1.1
119.03391	1.2
119.04918	1.3
121.02851	0.8
125.02369	1.4
127.11195	1.4
131.03531	0.6
137.02339	1.1
146.03648	1.7
149.02364	1.4
150.03098	0.8
151.03920	1.6
157.01308	1.0
160.01588	1.1
162.03209	0.8
163.03864	0.9
164.04688	2.4
165.82562	0.6
169.01328	1.7
171.10165	0.7
175.00314	1.5
175.02412	1.3
175.03851	1.4
179.07059	0.9
190.02657	3.9
191.03172	0.8
193.04916	0.9
193.85239	0.6
205.05045	4.0
205.06758	0.7
212.14986	0.7
221.08189	1.1
223.06110	2.0
249.06099	3.9
265.07208	2.3
267.07269	1.0
295.08362	1.4
295.22729	1.7
313.23862	7.6
315.14676	1.3
325.09457	1.0
327.12146	0.7
329.23294	1.7
331.24921	16.5
332.25287	1.4
337.09128	1.7
367.10345	4.1
475.29160	1.0
493.30188	9.2
494.30692	1.2
607.48328	0.8
712.23224	0.9
725.36182	1.1
743.37134	100.0
744.25323	1.2
744.37457	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	743.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43974	3.5
59.01253	23.6
67.80380	2.8
69.38451	31.7
71.01247	16.0
75.00769	4.2
83.73338	3.2
89.02320	10.4
98.19852	7.7
101.02316	13.0
113.02299	4.3
119.03380	5.4
125.02333	4.7
134.03601	6.1
147.07457	3.0
150.06746	8.1
163.07512	6.6
171.10156	4.5
179.05437	3.9
179.10699	7.4
193.04922	8.4
197.11725	8.9
209.11809	6.8
280.65894	3.8
291.19800	21.4
309.20746	100.0
310.21036	9.8
341.15121	3.5
397.13528	42.5
398.13593	3.8
415.14575	39.9
494.36490	5.1
495.36621	7.1
707.34479	12.1
743.32776	38.3
744.32916	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90772	4.0
57.03307	6.5
59.01250	51.2
61.98703	4.3
70.27596	5.1
70.75938	10.5
70.76300	7.8
71.01250	25.1
72.99191	5.3
73.02810	4.7
75.00740	4.8
85.02827	9.0
89.02332	12.4
97.02809	6.1
99.00816	6.0
101.02334	15.9
111.08051	6.6
113.02339	12.3
119.03442	5.6
122.02446	4.6
134.03625	4.8
137.02347	7.2
150.06764	12.5
163.07602	7.5
170.24156	4.6
171.10249	6.2
171.74275	4.0
178.99783	4.4
179.10724	10.3
188.94528	4.5
190.02614	6.7
197.11801	19.6
201.11256	11.8
205.05008	7.8
209.11795	19.2
210.12093	4.9
211.13268	31.4
224.72736	6.0
227.12810	10.2
253.09135	6.0
265.52237	4.5
289.18115	5.2
291.19711	18.1
299.02011	11.5
300.02936	6.9
309.20691	100.0
325.87842	4.2
397.13678	23.8
415.14526	45.3
441.53210	4.5
447.22290	5.5
456.77301	5.0
494.35910	13.3
495.36783	14.9
513.34949	4.8
581.27246	8.5
610.13196	4.8
611.24457	4.7
699.42664	5.7
707.34937	13.6
743.32538	42.3
744.33728	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	743.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69814	1.2
55.01764	2.2
55.84443	1.2
57.03342	4.9
58.00443	1.3
59.01254	19.8
60.58841	0.9
69.03307	1.7
70.71590	3.1
71.01258	31.5
72.99180	5.9
73.02831	5.4
74.50275	1.1
75.00752	26.0
83.01247	4.4
84.92764	1.1
85.02824	25.0
87.00758	7.6
89.02321	5.8
95.01250	4.7
97.02840	1.3
99.00764	11.2
101.02311	4.4
108.39923	1.2
109.02881	1.3
110.68635	1.0
111.00797	1.6
112.01563	6.7
113.02337	19.4
115.00246	2.7
116.93629	1.0
117.01851	2.2
121.10100	2.5
124.01534	2.1
125.02322	4.1
127.11073	1.0
128.89084	1.0
129.01772	1.5
133.15912	0.9
137.02261	1.3
146.03635	4.2
149.02339	3.2
149.99455	1.2
150.03098	4.2
151.03883	1.2
152.01099	1.0
160.01584	2.7
161.05923	1.3
163.03915	2.0
164.04662	4.7
165.05428	4.0
165.09091	1.5
167.10661	3.3
168.00542	3.5
169.01268	1.5
173.04398	1.3
175.00256	3.1
175.02495	1.5
175.03911	2.6
179.07028	3.5
190.02649	7.4
195.06458	2.2
203.07101	2.4
205.05020	9.8
223.06007	3.2
239.57394	1.0
269.10413	1.3
315.14362	2.4
331.24979	1.6
337.09232	2.4
367.10303	11.2
368.10663	1.3
375.14209	1.5
383.13342	1.8
427.12268	3.1
445.13364	4.7
481.70404	1.1
526.17487	1.2
563.17731	3.9
595.23639	2.0
743.27393	100.0
744.27991	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	743.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.7
59.01260	11.0
69.21522	1.0
71.01254	18.6
73.02802	2.2
73.80112	1.1
74.47453	1.2
75.00739	7.7
83.01251	2.5
85.02829	14.3
87.00758	5.0
88.98695	1.4
89.02324	5.5
90.16885	1.2
93.03324	2.3
93.16144	1.2
95.01269	2.5
96.95874	2.0
98.51849	1.1
99.00764	3.7
101.02328	4.6
105.03338	2.4
109.02840	1.3
113.02342	8.5
119.03397	1.5
119.04916	4.1
121.02844	4.2
122.03614	4.8
123.04419	1.4
125.02322	1.9
130.88924	1.6
132.02051	18.0
133.02847	4.0
134.03624	26.5
135.04298	1.1
136.01624	1.5
137.02350	3.3
138.03127	1.4
145.02863	1.9
146.03630	1.9
147.04466	2.3
149.02350	16.3
149.05966	6.4
150.03131	34.8
151.03929	7.6
152.01060	1.5
160.01570	86.0
161.02365	21.9
161.04474	1.3
162.03096	4.3
163.03911	3.3
164.04726	7.6
165.05487	30.3
166.05779	1.8
175.00285	4.5
175.03925	97.4
176.04694	12.5
177.05478	3.4
178.02628	1.9
179.03423	36.8
179.07031	4.1
180.04158	6.0
181.05002	1.2
190.02629	14.2
191.03383	2.6
191.07066	5.3
193.04974	23.4
194.05791	36.8
195.06572	19.9
205.04996	13.1
206.05725	3.0
209.08124	36.9
217.05063	2.4
221.08055	1.8
223.06091	6.5
235.06157	1.8
237.07954	1.2
265.07166	9.9
295.08310	3.9
315.14252	1.9
325.09323	4.7
327.12589	1.6
337.09283	100.0
338.09476	6.1
357.13531	4.6
367.10352	1.7
385.11548	1.5
405.15125	1.5
533.16595	48.4
534.17279	7.7
588.06714	1.3
627.73853	1.5
695.23138	5.4
725.25061	2.1
742.36072	3.4
743.26013	37.7
744.27173	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	743.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21577	1.1
58.00456	1.0
59.01260	14.5
68.99672	1.1
69.03323	3.2
71.01255	10.7
71.57899	1.4
71.58273	1.3
72.99168	2.1
75.00736	1.5
81.03327	1.5
83.01284	2.7
85.02821	4.2
89.02315	3.4
95.01263	3.0
97.02831	3.4
99.00817	1.3
101.02322	2.8
109.02845	1.6
113.02322	5.0
117.36260	1.3
119.04920	1.4
121.02840	2.0
123.00764	11.7
123.04417	2.1
124.01564	28.1
125.02347	62.6
126.02691	1.9
129.61948	1.1
134.03625	1.4
136.01550	2.6
137.02344	5.5
146.03616	4.4
149.02379	6.5
149.06003	1.4
149.99500	37.8
150.03033	2.2
151.00259	4.4
151.03940	2.4
152.01082	1.7
153.01845	1.4
160.01566	4.3
163.03952	2.6
164.04709	5.1
165.05495	1.7
167.03490	2.8
168.00565	72.1
169.01376	15.9
173.89511	1.2
175.00238	4.1
175.03923	3.0
179.03424	1.9
179.07059	4.3
190.02686	8.6
193.05014	1.3
205.04977	10.0
205.12253	1.9
223.06082	1.7
242.64473	1.4
278.40555	1.2
313.05667	3.1
327.12231	2.4
331.06873	6.2
337.09137	1.9
344.53311	1.2
367.10373	13.2
368.10825	1.5
501.18689	1.3
519.18359	2.3
563.17865	8.0
619.67139	1.3
742.35748	3.4
743.24109	100.0
743.35870	6.7
744.24738	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	743.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.7
59.01260	11.0
69.21522	1.0
71.01254	18.6
73.02802	2.2
73.80112	1.1
74.47453	1.2
75.00739	7.7
83.01251	2.5
85.02829	14.3
87.00758	5.0
88.98695	1.4
89.02324	5.5
90.16885	1.2
93.03324	2.3
93.16144	1.2
95.01269	2.5
96.95874	2.0
98.51849	1.1
99.00764	3.7
101.02328	4.6
105.03338	2.4
109.02840	1.3
113.02342	8.5
119.03397	1.5
119.04916	4.1
121.02844	4.2
122.03614	4.8
123.04419	1.4
125.02322	1.9
130.88924	1.6
132.02051	18.0
133.02847	4.0
134.03624	26.5
135.04298	1.1
136.01624	1.5
137.02350	3.3
138.03127	1.4
145.02863	1.9
146.03630	1.9
147.04466	2.3
149.02350	16.3
149.05966	6.4
150.03131	34.8
151.03929	7.6
152.01060	1.5
160.01570	86.0
161.02365	21.9
161.04474	1.3
162.03096	4.3
163.03911	3.3
164.04726	7.6
165.05487	30.3
166.05779	1.8
175.00285	4.5
175.03925	97.4
176.04694	12.5
177.05478	3.4
178.02628	1.9
179.03423	36.8
179.07031	4.1
180.04158	6.0
181.05002	1.2
190.02629	14.2
191.03383	2.6
191.07066	5.3
193.04974	23.4
194.05791	36.8
195.06572	19.9
205.04996	13.1
206.05725	3.0
209.08124	36.9
217.05063	2.4
221.08055	1.8
223.06091	6.5
235.06157	1.8
237.07954	1.2
265.07166	9.9
295.08310	3.9
315.14252	1.9
325.09323	4.7
327.12589	1.6
337.09283	100.0
338.09476	6.1
357.13531	4.6
367.10352	1.7
385.11548	1.5
405.15125	1.5
533.16595	48.4
534.17279	7.7
588.06714	1.3
627.73853	1.5
695.23138	5.4
725.25061	2.1
742.36072	3.4
743.26013	37.7
744.27173	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	741.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37387	0.9
53.69209	0.8
58.00474	1.1
59.01246	6.3
61.98698	1.0
65.15758	0.8
69.47031	3.9
69.47458	3.1
71.01253	5.1
73.02810	1.4
75.57650	0.7
78.95771	1.9
80.02538	1.7
83.04883	2.9
85.02818	1.2
89.02316	3.3
98.20564	1.7
101.02312	3.4
109.12759	1.0
113.02327	2.3
121.18468	0.9
125.09619	1.7
127.11182	2.5
149.84692	1.0
154.47134	1.1
155.10652	1.0
161.04457	1.4
163.11197	2.6
165.12715	1.7
171.10219	1.4
191.10631	1.0
199.09601	1.2
201.11276	41.4
202.11755	1.7
209.11780	100.0
210.12149	4.2
211.13376	1.2
227.12894	9.2
235.08252	5.3
253.09285	12.9
277.21732	84.3
278.22086	8.5
320.71426	0.9
394.32861	0.8
437.20306	1.3
443.31131	0.9
445.20871	1.1
653.01550	1.0
676.07678	1.0
741.43433	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39201	1.3
57.03330	4.3
59.01254	100.0
61.98717	4.5
67.99716	1.5
71.01255	40.3
72.99191	2.2
73.02820	14.8
73.66323	1.5
75.00742	1.7
78.95782	11.9
83.01273	6.8
83.04892	2.0
85.02840	14.4
87.00745	3.7
87.04394	1.9
89.02322	18.9
95.01289	5.5
97.02837	1.6
99.00806	2.3
101.02330	23.9
102.05481	1.8
107.01278	1.8
113.02334	44.1
119.03414	5.3
125.02362	2.3
131.03407	2.8
143.03406	3.5
145.06070	2.0
146.04497	2.0
149.04425	2.0
151.00253	3.4
152.99495	12.5
161.04477	10.2
177.09044	2.2
178.99814	5.5
179.05562	8.6
197.11769	2.8
202.08200	1.6
207.10184	2.8
209.11754	2.8
211.13365	10.7
212.13681	2.4
227.03458	4.3
230.18289	2.0
243.02916	2.2
253.21715	9.7
255.03055	2.8
271.02515	15.0
272.02850	1.9
277.21735	20.2
291.19632	2.4
299.01904	12.2
300.02841	15.1
301.03458	5.7
309.20883	2.9
310.20975	2.3
433.07913	2.5
475.37750	2.6
493.39288	1.7
505.25754	27.4
581.08472	1.7
595.25281	4.4
609.23383	6.7
637.43231	6.3
723.29761	2.1
741.29480	8.1
741.46576	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	741.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82550	2.0
53.72092	2.2
57.03321	3.6
59.01260	21.3
61.98708	18.5
69.03352	2.6
70.50869	2.2
71.01257	7.7
71.57283	4.1
72.71857	2.3
73.02786	2.4
75.00736	2.8
78.95770	4.2
83.01263	3.4
83.47307	1.8
85.02864	3.3
87.93061	2.0
89.02322	4.7
101.02332	6.0
113.02361	4.3
119.03385	2.8
125.09611	5.7
140.62085	2.1
141.12686	3.0
149.98999	2.1
167.10701	5.0
169.12306	3.8
171.10191	9.9
185.11760	100.0
186.12161	5.4
195.13776	5.4
197.11887	4.9
201.11316	2.7
209.11841	18.7
210.12155	6.0
211.13405	19.6
212.13654	6.1
213.11275	6.5
213.14844	2.7
217.68013	2.1
223.70085	2.2
227.12842	6.0
228.13364	3.2
235.08252	2.9
248.76366	2.7
251.29196	2.2
253.09302	10.2
255.02895	3.2
271.02332	12.0
272.02777	7.0
273.03107	2.4
275.20169	2.9
277.21732	5.9
291.19641	7.0
293.21277	19.5
294.21646	6.9
295.22699	9.8
295.49396	2.3
299.02054	16.8
300.02518	22.4
301.02988	11.3
309.20895	10.4
310.21045	5.2
311.22058	2.7
446.08463	4.1
446.30847	2.5
448.08771	5.3
500.27896	2.4
505.25815	4.1
595.25183	6.1
620.88995	2.2
644.82422	2.6
741.30225	7.5
741.40906	74.4
742.41602	13.6
768.54626	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	741.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.0
57.03323	3.2
59.01252	26.0
61.98708	0.5
63.58414	0.5
67.01729	0.8
68.99686	1.6
69.03326	1.4
70.42035	0.5
71.01254	23.1
71.58000	0.8
72.01601	0.6
72.99181	5.3
73.02836	2.5
75.00749	14.3
83.01255	2.2
85.02822	17.4
86.00014	0.6
86.03149	0.8
87.00751	6.8
89.02309	4.1
93.03337	0.8
95.01260	4.4
96.95892	4.3
97.02842	0.9
99.00766	9.4
101.02309	3.4
103.00266	1.4
107.84380	0.5
110.78880	0.5
111.00786	1.6
111.04381	0.6
113.02328	14.4
114.02691	0.6
115.00269	1.3
116.92670	0.5
117.01831	1.2
119.03461	0.6
119.04914	0.7
121.02803	0.7
123.04431	0.6
124.01525	0.9
125.02346	1.6
129.01823	1.4
134.03592	0.7
143.03404	1.0
149.02370	0.6
157.01341	1.1
160.01582	1.0
163.04002	0.6
164.04675	0.7
175.00229	0.5
175.02419	1.5
190.02635	1.5
193.05057	0.9
197.30620	0.6
205.04993	1.6
209.11703	0.7
231.04955	0.6
235.81113	0.6
249.06174	5.4
267.07233	2.0
269.21271	2.4
271.02582	0.7
287.22290	15.1
288.22595	1.0
299.22241	1.1
329.23273	0.7
343.21216	0.8
431.26395	5.0
449.27548	14.4
450.27969	1.2
484.47168	0.5
491.28949	2.5
565.21368	0.9
597.83704	0.7
723.34631	1.8
741.35553	100.0
742.35999	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	741.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.0
61.98705	1.6
62.52499	0.9
71.01256	2.3
71.58554	1.8
78.95763	2.0
89.02325	2.0
101.02333	1.3
107.01276	2.0
121.02856	1.1
133.02843	1.0
142.41867	0.9
151.00270	2.6
171.04283	0.9
171.10201	6.7
187.03876	1.2
197.11786	3.8
199.03922	3.6
201.01830	1.8
209.11769	2.2
211.13382	6.4
212.13680	1.1
213.14908	23.9
215.03397	2.1
227.03468	3.3
227.12737	1.3
235.08183	2.0
243.03059	3.8
248.40439	1.1
253.09264	3.3
255.03136	1.3
271.02484	47.7
272.02786	2.8
277.21649	2.7
291.19592	5.8
293.21158	1.5
299.01971	100.0
300.02567	18.1
301.03293	1.6
309.20752	7.7
311.22141	1.9
370.70538	1.2
446.08588	21.1
447.08875	2.9
594.24310	1.5
595.25311	9.4
596.25677	2.2
741.31360	12.3
741.43243	1.7
742.31793	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	741.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00367	1.6
55.01763	3.8
57.03325	5.0
59.01255	30.2
68.99701	2.6
69.03314	1.5
69.42266	1.5
70.34275	5.6
71.01257	32.5
72.99194	6.5
73.02824	8.5
73.27244	1.6
74.46246	1.4
75.00758	16.8
83.01259	3.6
85.02824	26.4
87.00758	7.9
89.02322	6.6
92.33540	1.4
94.85894	1.5
95.01273	5.8
97.02816	1.8
97.78702	2.0
98.20381	1.8
99.00755	11.7
101.02326	13.4
103.00294	1.9
109.02890	1.5
111.00840	1.4
113.02329	21.9
115.00280	1.6
129.01834	1.8
150.03162	1.6
151.00345	2.7
156.41823	1.5
161.04506	3.0
165.05464	3.2
167.10735	5.9
175.02361	1.8
227.03444	3.4
228.03874	2.6
243.02991	3.1
249.06139	8.5
255.03036	12.0
256.03482	5.4
257.03479	2.3
267.07169	1.8
271.02405	9.8
284.03409	6.5
285.03787	7.8
286.03964	2.8
300.02753	17.9
301.03421	3.5
378.91968	1.7
417.17731	3.7
651.44458	1.6
741.28815	100.0
742.29230	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	741.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28181	0.5
56.75813	0.4
57.20978	0.4
59.01243	1.4
69.49127	4.1
70.58329	0.5
71.01260	1.0
72.99154	0.5
76.99609	0.4
96.95901	0.8
107.01269	1.4
108.02060	1.4
109.84633	0.5
109.85470	0.5
121.02838	0.7
122.19801	0.5
135.00758	0.5
148.01599	1.1
151.00288	4.1
153.01846	0.7
165.05444	0.5
173.04332	0.6
178.99779	2.4
191.05496	1.1
199.03854	0.6
216.04245	0.5
226.02663	1.3
227.03441	1.9
233.06613	0.7
243.02983	9.2
244.03485	0.7
254.02170	2.1
255.02963	21.8
256.03342	1.0
271.02481	47.2
272.02823	3.8
287.01962	0.6
299.02039	3.5
300.02759	100.0
301.03247	11.1
302.03748	0.8
334.08365	0.6
579.13562	81.2
580.13855	10.7
737.32556	0.5
741.18762	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	741.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34860	0.3
63.02282	0.4
65.00215	0.5
69.65411	2.3
88.37255	0.3
107.01283	1.2
109.02850	0.6
111.44671	0.3
119.04926	2.1
133.02791	0.4
135.08176	0.3
148.01361	0.4
151.00290	2.4
155.04927	0.3
163.03963	1.7
171.04410	0.6
174.31721	0.3
175.03836	0.7
178.99846	0.6
187.03949	0.7
199.03952	2.9
201.01917	1.2
215.03430	1.7
226.02661	0.4
227.03416	2.6
228.03712	0.5
242.02223	0.6
243.02951	4.5
244.03362	0.5
255.02943	2.2
271.02469	56.2
272.02853	4.2
299.01956	100.0
299.66553	0.4
300.02557	14.2
301.03403	4.0
341.05087	0.5
347.72214	0.4
450.28516	0.4
461.07233	0.4
462.08029	26.0
463.08423	3.7
579.13544	12.2
579.21228	0.4
580.14124	1.5
741.18829	56.6
742.19159	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	740.493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26114	0.2
59.01247	3.1
61.01665	0.2
61.98703	100.0
71.01265	0.6
73.02825	0.2
73.19029	0.2
75.00763	0.3
81.03342	0.9
83.04890	1.8
84.05247	0.5
85.02824	0.6
87.00760	0.2
89.02318	0.3
101.02301	0.2
113.02332	0.4
114.44691	0.2
115.00146	0.2
116.03769	0.2
119.04917	1.0
125.07124	0.2
143.03490	0.2
148.91154	0.2
163.03918	1.0
191.05475	0.2
225.16000	1.2
226.16452	0.8
229.45447	0.2
267.07333	0.3
289.18512	0.2
402.01465	0.2
452.33487	0.3
453.33917	0.2
662.49841	0.2
677.49945	0.4
678.50067	1.7
679.50214	6.4
679.61688	0.3
680.50543	11.7
681.50629	0.4
740.34827	1.2
740.49957	0.8
741.36218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93790	0.4
59.01260	2.6
61.98701	1.5
69.26269	0.4
70.61964	1.5
71.01274	0.8
75.00732	0.5
77.03836	2.5
78.95774	0.7
87.00730	0.5
89.02316	0.5
93.03354	0.5
101.02361	0.7
111.08020	0.5
113.02328	0.5
116.26266	0.5
121.02849	100.0
122.03201	3.4
141.01575	0.6
142.31139	0.4
151.00264	0.5
165.01852	70.7
166.02171	2.6
171.10158	1.2
181.06564	2.6
183.13818	0.5
191.03426	1.7
195.13852	0.6
197.11688	0.7
209.11790	8.1
210.12106	3.9
211.13382	5.5
212.13750	1.9
213.15024	1.1
225.05566	1.6
227.03297	0.5
227.12836	1.3
228.51230	0.4
235.08160	0.6
253.09187	2.5
254.09697	0.4
255.03096	0.7
256.03583	0.4
271.02490	2.1
275.19873	0.4
291.19528	2.4
292.19995	0.5
293.21323	3.3
294.21606	3.3
299.01877	1.9
300.02640	3.9
301.03299	2.2
301.77393	0.4
302.03577	0.5
309.20749	2.6
310.21204	1.2
313.07120	1.6
332.45355	0.4
357.06168	10.4
358.06589	1.0
422.07138	0.4
446.08670	0.6
447.09061	0.6
448.09488	0.8
549.10431	0.5
594.23914	0.5
741.14410	3.6
741.29962	1.2
742.14795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44755	0.8
57.03314	1.5
59.01245	11.0
64.10722	0.9
69.03318	1.2
71.01251	6.5
71.04880	3.4
73.02803	1.6
78.95778	1.7
81.03332	1.1
83.01276	1.3
83.04865	0.8
85.02798	0.9
87.00729	0.9
88.36248	0.8
89.02310	4.0
96.02879	0.8
97.02808	3.7
97.06435	4.1
99.00759	17.9
99.45052	0.8
101.02343	5.5
101.78732	0.8
109.06445	1.4
113.02303	2.5
119.03378	1.0
119.52656	0.8
123.08036	2.0
125.09624	7.6
135.08107	1.3
136.05118	1.1
142.02603	2.0
152.99467	1.0
154.68518	1.0
161.04416	0.9
163.11201	12.0
164.11493	0.9
169.83975	0.9
171.10205	4.0
179.10718	0.9
181.12268	21.1
182.12637	1.4
183.13779	1.6
197.11763	0.9
199.13327	18.3
201.11375	0.8
207.10210	32.8
208.10519	1.5
211.13313	3.5
213.43045	0.8
225.11272	50.9
226.11621	2.2
230.04575	0.8
235.08240	1.0
243.12346	28.0
244.12614	1.4
253.09192	2.1
277.21735	21.0
278.22095	1.9
281.24844	2.4
293.21088	1.5
299.01947	1.8
387.54758	0.8
397.13525	3.0
403.77817	0.8
415.14206	1.9
461.20444	5.1
479.21323	13.1
583.59814	0.9
739.42712	100.0
740.43060	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	740.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.8
61.98706	100.0
62.98425	0.3
67.98201	0.2
71.01250	1.4
71.58388	0.4
73.02832	0.3
73.20339	0.3
80.84226	0.3
85.02828	0.3
89.02328	0.9
91.43073	0.2
91.61101	0.3
99.92455	0.3
101.02340	0.6
102.02675	0.2
111.08067	0.4
113.02365	0.6
114.93277	0.2
116.92754	2.9
125.02332	0.3
151.00330	0.4
169.95738	0.2
181.76859	0.2
183.13884	0.8
184.14211	0.5
197.11823	0.9
209.11780	1.5
211.13353	6.5
212.13680	2.6
213.14868	0.3
236.08633	0.3
243.03217	0.3
253.09319	0.8
255.03107	0.6
271.02435	1.4
277.21863	0.3
279.23364	0.8
280.23599	1.3
281.24197	0.4
291.19833	0.8
292.19998	0.7
293.21274	0.7
294.21640	0.3
295.22797	0.5
299.01962	1.4
300.02682	3.0
301.03494	1.4
309.20746	2.0
310.21066	1.4
397.13550	0.6
398.14078	0.7
399.14102	1.0
400.14401	0.5
418.15506	0.3
446.08649	0.4
447.09384	1.7
595.25409	0.6
678.25995	0.3
740.42938	0.8
741.31311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00002	0.3
55.91575	0.4
57.03325	0.5
59.01252	4.9
61.98706	38.2
62.98399	0.5
63.99110	0.6
69.03302	0.7
71.01252	3.4
73.02818	0.9
75.15334	0.4
80.02565	0.8
81.03333	1.1
83.01247	0.6
83.04904	4.1
84.02080	0.6
85.02826	0.7
87.00775	0.7
89.02338	2.7
95.01233	0.6
95.04884	1.0
97.02824	0.8
97.06442	0.5
98.19672	0.9
101.02322	3.2
101.69520	0.4
107.01255	0.5
111.08054	1.0
112.97882	0.4
113.02325	1.7
118.69276	0.4
119.03376	0.5
121.02900	0.4
133.02873	0.4
135.08070	0.6
143.03331	0.4
151.00293	1.2
161.04448	1.4
163.11234	2.7
165.12778	2.6
171.10185	1.7
178.99739	0.5
179.14224	0.5
181.12215	0.8
182.69708	0.4
183.13832	2.1
191.10732	0.7
193.12358	0.5
195.13831	4.0
197.11771	2.4
199.03889	0.5
205.60152	0.4
206.32559	0.4
209.11780	100.0
210.12119	5.3
211.13348	24.1
211.15443	0.8
212.13708	1.0
223.13344	2.8
227.10739	0.9
227.12836	10.5
228.13362	0.7
229.54726	0.6
235.08202	3.7
243.02998	1.1
253.09270	13.4
254.09552	0.6
255.03020	1.9
256.13245	0.5
271.02472	4.6
275.20132	5.2
291.19678	3.4
292.19852	0.7
293.21228	47.9
294.21539	3.7
299.02011	6.2
300.02744	8.7
301.03375	4.5
309.20749	9.7
310.21063	0.9
386.59427	0.4
418.51324	0.6
445.20941	0.9
446.08328	1.5
447.09277	4.5
447.22534	0.7
448.09564	0.6
593.24341	1.2
739.29730	1.3
739.41595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.8
59.01250	7.4
61.98694	3.7
69.03304	1.4
71.01260	13.2
71.04890	2.8
73.02825	2.3
75.53925	1.0
75.56102	1.0
78.95769	3.3
83.04894	1.3
85.02814	2.2
87.00762	1.4
87.83526	1.0
89.02319	4.3
89.95364	1.1
96.95890	19.1
96.96835	1.3
97.02839	3.5
97.06467	3.3
98.20663	2.0
99.00755	17.3
101.02329	6.2
109.06475	1.7
113.02319	1.7
123.08051	2.0
125.09631	9.5
142.02570	1.2
152.99431	2.1
161.04541	1.2
161.09709	1.5
163.11200	13.5
168.27072	1.0
171.10222	5.3
181.12254	21.9
189.09183	1.4
197.11766	1.0
199.13324	6.8
207.10219	23.3
208.10440	1.2
209.11652	1.5
211.13335	5.7
225.11275	37.5
226.11612	1.5
235.08041	1.5
243.12357	16.0
253.09259	4.2
277.21744	42.1
278.22043	4.8
281.24893	4.1
291.19656	2.1
293.21255	2.2
309.20737	3.8
327.23810	1.1
377.25320	1.3
397.13437	4.3
415.14014	1.4
443.19019	1.3
461.20273	3.0
469.96396	1.1
479.21457	6.1
615.27771	1.2
739.42694	100.0
740.42932	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95846	0.8
55.01738	1.1
57.03300	2.0
59.01247	10.3
61.98706	5.6
65.99796	0.9
66.58573	0.9
71.01253	8.7
71.04888	3.2
71.06437	2.6
73.02841	0.8
78.95792	4.9
80.96375	0.8
82.64548	0.8
85.02819	1.5
87.00748	1.4
89.02325	3.4
96.95911	1.9
97.02838	4.5
97.06478	1.5
99.00763	12.5
101.02317	4.1
107.54202	1.0
109.06493	1.8
113.02316	2.9
119.03391	1.2
123.08042	1.2
125.09627	6.6
126.54431	0.8
127.11227	2.0
135.08018	1.0
142.02612	1.2
152.99501	1.2
161.04503	1.0
163.11197	8.6
169.08670	0.8
171.10216	4.8
181.12276	16.0
182.12614	0.9
197.11765	1.9
199.13347	24.3
200.13680	1.5
205.33640	0.9
207.10201	35.1
208.10535	1.5
209.11740	2.1
211.13277	4.4
225.11278	68.3
226.11600	2.2
233.22496	1.2
235.08202	1.2
243.12355	13.7
253.09140	4.2
277.21735	43.2
278.22015	4.4
291.19675	1.7
293.21088	1.8
309.20874	1.2
461.20309	12.5
479.21313	3.8
721.41980	4.8
739.42767	100.0
740.43079	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	739.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.3
57.03323	1.6
58.00459	2.0
59.01253	27.9
61.61103	1.3
63.17316	1.4
71.01262	21.7
72.99182	2.9
75.00761	4.0
83.01247	2.5
85.02811	7.8
87.00761	2.9
89.02318	9.8
91.01777	2.5
93.03354	2.6
95.01286	2.1
96.95900	19.8
99.00743	2.2
101.02341	8.6
113.02339	7.7
118.64677	1.3
119.01263	4.8
119.03413	1.9
119.04926	17.9
120.05252	5.0
121.02816	4.8
134.03632	3.9
135.04451	2.9
137.02400	2.8
143.03473	1.5
147.00786	5.2
147.04514	1.8
149.02359	24.8
150.03015	3.0
151.03938	2.1
152.01053	2.6
160.01543	2.4
161.02371	1.3
163.03946	16.8
164.04680	19.7
165.01901	2.9
171.10196	1.8
175.00293	32.7
175.03865	2.2
176.00990	1.7
176.04669	1.6
177.01761	2.2
179.07076	2.6
190.02647	68.8
191.03299	7.5
193.04944	2.5
205.05013	54.1
206.05820	8.4
207.03043	2.0
208.03677	2.3
209.04411	2.1
216.43362	1.3
219.43605	1.2
220.03693	4.7
221.08116	10.0
223.06087	26.9
224.06430	2.0
235.06075	2.4
237.07640	2.9
250.04735	3.2
265.07181	32.7
266.07477	2.3
267.07254	2.0
295.08261	4.1
325.09277	7.1
559.26001	7.8
560.26031	1.4
635.36444	2.1
739.31848	100.0
740.32294	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	739.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.7
61.98691	3.4
70.01474	2.6
70.01900	4.3
70.92053	1.1
71.01264	6.5
73.02811	1.2
85.02829	1.8
87.00764	1.9
89.02293	2.7
98.19742	1.1
101.02354	6.7
101.02890	1.4
111.08049	2.5
113.02317	3.0
121.01426	1.2
124.29733	1.1
133.05005	1.1
161.04454	1.5
165.12769	9.6
183.13844	100.0
184.14116	5.3
195.13893	7.8
209.11830	6.6
211.13307	8.9
223.13344	6.8
227.12866	7.8
235.08142	2.1
253.09254	7.7
275.20242	3.9
291.19601	2.4
293.21262	56.4
294.21518	3.4
309.20731	4.7
445.20825	3.5
463.21829	4.2
721.43878	1.4
739.42810	77.8
740.43011	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	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.6
59.01259	14.1
61.98694	3.4
71.01253	8.1
71.04900	3.6
73.02827	2.2
78.95789	11.8
78.98482	1.3
83.76966	1.4
85.02818	2.8
87.00742	2.6
89.02318	3.0
96.96817	1.4
97.02839	2.9
97.06479	3.4
99.00768	14.0
101.02324	6.2
104.20482	1.4
109.06477	3.4
113.02325	4.1
114.70861	1.3
123.08119	1.7
123.12589	1.3
125.09615	6.9
142.02565	2.0
152.99515	4.9
163.11215	10.1
171.10205	11.3
178.37267	1.4
181.12256	14.5
186.42467	1.3
197.11786	2.7
198.34280	1.3
199.13336	12.4
201.11295	2.6
207.10222	26.6
208.10628	1.7
209.11754	3.5
211.13303	3.9
225.11298	52.1
226.11696	2.3
235.08182	2.8
243.12328	8.2
253.09276	6.6
260.80106	1.5
275.20044	2.0
277.21735	72.9
278.22049	7.8
281.24982	1.5
291.20108	1.5
293.21298	8.4
295.23166	1.5
309.20734	2.8
397.13635	1.6
429.20709	1.5
443.19354	2.8
445.19742	1.6
461.20273	8.7
479.20993	3.5
539.64478	1.6
625.28467	1.5
696.98798	1.7
720.56250	1.5
721.41785	5.9
722.41504	2.6
739.42731	100.0
740.43146	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	739.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04235	0.9
59.01263	5.8
61.98709	4.4
63.02280	1.7
65.00192	1.4
71.01262	2.4
83.01231	1.5
85.02796	1.1
89.02331	1.3
98.19766	2.2
101.02326	1.7
107.01279	4.2
107.01871	0.9
108.02048	2.1
109.02849	1.7
118.10027	0.9
121.02835	1.6
125.02319	1.5
148.01596	1.2
150.98367	1.0
151.00288	13.2
161.04398	1.0
163.00311	2.4
165.12708	1.7
169.01358	1.6
171.04356	1.2
178.99792	7.8
183.04330	0.9
183.13882	2.3
197.11697	1.9
199.03922	2.0
209.11781	8.3
211.03883	1.2
211.13341	22.6
212.13725	1.2
215.03439	1.5
226.02669	5.7
227.03444	7.0
227.12769	6.4
235.08191	1.4
243.02974	22.3
251.16565	1.0
253.09148	2.9
254.02243	7.1
255.02979	26.7
256.03485	1.7
271.02487	100.0
272.02841	9.7
275.20245	1.1
283.02426	1.2
284.03317	2.5
291.19644	6.1
293.21298	6.7
299.01987	27.6
300.02756	90.4
301.03476	34.6
302.03906	2.2
309.20697	13.2
334.55536	0.8
446.08521	3.9
463.08810	2.8
577.24280	2.0
593.24011	4.7
594.24066	1.0
607.25171	1.1
682.09650	1.1
739.29755	94.4
740.29926	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	739.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	0.5
59.01261	4.3
63.02284	0.5
65.00213	0.5
69.03336	0.5
71.01258	2.7
73.02818	0.6
73.11907	0.3
76.35517	0.3
82.73956	0.4
83.01304	0.4
83.04901	0.5
87.83484	0.4
89.02320	1.5
95.04913	0.5
97.02829	1.0
98.19790	1.3
101.02309	2.5
107.01262	1.2
109.02871	0.6
111.08048	1.2
113.02334	1.3
125.09583	0.6
131.30472	0.4
133.02866	1.0
137.09633	0.5
151.00296	2.2
151.11177	0.4
161.04491	1.1
163.11198	1.3
165.12811	0.7
167.10658	0.5
169.12323	0.9
171.04451	0.9
171.10179	1.0
175.03865	0.5
181.12315	0.9
183.13857	4.4
185.11725	0.6
187.03969	0.6
193.12273	0.9
195.13878	0.7
197.11790	4.8
199.03922	3.5
199.13324	2.4
201.01912	1.3
207.10216	0.9
209.11795	10.4
210.12148	0.7
211.13356	45.4
212.13638	1.2
215.03371	1.8
223.13397	0.6
225.11301	1.7
226.02618	0.5
226.11607	0.7
227.03464	2.3
227.12827	5.3
235.08212	2.0
243.02994	2.6
247.20700	1.0
253.09288	7.3
255.02966	0.8
271.02490	40.7
272.02911	2.7
275.20123	0.8
275.75186	0.4
291.19672	10.7
292.19910	0.8
293.21274	7.8
294.21515	0.9
295.21640	0.5
299.01981	100.0
300.02594	12.5
301.03201	1.0
309.20734	20.5
317.10327	0.7
350.20743	0.4
414.16440	0.5
432.06876	0.5
443.20685	0.5
445.20654	0.4
446.08557	23.1
447.09082	2.6
447.22263	1.1
463.21240	0.6
467.13464	0.9
503.33524	0.6
545.29620	0.8
575.23138	0.5
593.24066	5.8
594.23694	0.5
640.43829	0.4
739.29791	8.9
739.42169	1.5
740.30341	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04831	1.3
58.13043	1.5
59.01251	1.8
63.02283	1.7
64.43990	1.4
65.00204	3.7
69.48309	1.6
69.71938	2.9
69.72339	8.2
71.01250	3.0
83.01238	2.1
85.66856	1.5
89.77416	1.7
93.03349	2.0
107.01286	4.1
109.02854	2.9
113.02293	1.7
121.02837	14.7
124.01554	2.1
125.02309	2.3
135.00748	1.7
136.01598	3.1
137.02385	1.6
139.03835	1.7
141.19696	1.5
149.02330	5.8
149.20352	1.4
151.00290	10.4
152.01047	6.7
163.00317	11.3
163.07593	1.6
164.01076	4.6
165.01898	3.3
169.01442	1.7
175.00294	4.3
176.01086	2.7
177.01810	2.6
178.99823	8.8
183.13756	1.6
187.07611	2.0
189.01857	1.8
189.99066	2.9
190.99825	2.5
197.11821	2.4
202.99768	2.4
203.03383	2.3
209.11784	2.6
211.13371	23.9
227.03493	2.0
231.06598	9.5
241.05019	2.6
243.02870	2.3
253.09180	2.0
255.03041	2.6
256.03848	2.3
257.04602	3.0
259.06113	2.4
267.03027	1.8
269.04669	2.2
271.02460	4.6
283.02518	1.9
285.04053	3.0
291.19714	3.5
295.02466	2.3
295.22818	2.5
299.02017	5.3
300.02722	7.6
301.03308	2.2
309.20706	8.1
311.02164	3.2
312.02939	8.5
313.03552	24.1
314.04272	8.0
325.03653	2.4
327.04974	2.3
329.13663	2.4
353.06775	3.0
355.12103	2.1
368.02466	1.6
373.13013	9.6
374.13892	2.1
381.09836	11.0
382.10461	3.2
399.21619	2.7
443.20526	5.1
477.14594	1.6
495.16748	1.8
523.16229	10.3
524.16736	5.4
575.23102	4.3
592.23547	7.2
593.14539	3.4
593.23981	62.5
594.24237	10.1
739.29767	100.0
740.29968	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	739.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90757	1.2
59.01240	4.7
61.98696	1.8
62.88995	1.0
65.00193	5.9
70.58710	4.0
71.01250	2.0
75.87784	1.0
78.95772	1.2
83.01212	1.2
93.03332	2.8
107.01254	1.6
109.02840	2.7
112.53784	1.0
113.02306	1.8
121.02859	18.8
125.02311	1.9
131.32140	1.2
135.04390	1.6
137.02348	1.6
139.03870	2.6
145.06133	1.5
149.02344	4.7
151.00243	5.1
160.04800	1.2
161.02444	2.4
163.00296	3.6
164.00972	1.5
175.00285	6.2
177.01892	3.0
178.99756	3.5
183.13855	2.0
197.11700	2.0
199.03888	1.6
202.99773	9.2
203.03406	5.0
209.11778	4.6
211.13365	26.1
215.03375	2.3
216.04192	3.0
227.03531	5.6
230.02155	2.3
231.02988	1.8
241.51576	1.3
243.03043	1.3
243.13878	2.0
245.11830	4.1
253.09200	2.5
255.02962	6.2
256.03699	2.2
271.02548	7.1
275.00531	1.2
283.02356	1.5
284.03207	3.5
285.04031	3.8
285.07687	5.2
287.12833	4.1
291.19626	4.4
293.21158	2.1
299.01956	6.6
299.37173	1.3
300.02747	17.7
301.03381	2.4
309.20697	11.7
313.03497	5.8
313.10779	3.6
314.04324	2.8
315.12396	1.5
316.12982	4.1
325.03497	3.7
331.11893	15.4
353.02942	5.5
353.06812	3.0
359.11331	8.3
359.65979	1.4
399.21790	5.7
423.10895	1.7
425.19415	6.1
435.10684	3.1
443.20724	14.0
444.21008	2.0
450.31931	1.5
463.13962	4.1
471.20135	2.8
481.15106	13.1
482.15439	3.7
543.19299	1.3
575.22845	4.0
577.24060	3.0
592.23016	12.2
593.23950	74.0
594.24573	10.6
739.29700	100.0
740.30139	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	739.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.5
59.35936	0.6
61.98706	100.0
62.44250	0.4
65.00214	1.5
69.78179	2.7
71.01259	1.7
71.76508	0.5
82.45413	0.4
83.01265	0.6
83.04918	0.7
84.94305	0.5
85.02831	0.6
89.02338	1.1
93.03330	0.7
95.83627	0.5
101.02341	0.7
107.01298	2.0
109.02881	0.8
110.10748	0.4
113.02361	0.5
119.03379	0.5
121.02865	3.3
125.02435	0.6
133.06322	0.5
136.39857	0.4
139.03981	0.9
139.14555	0.5
149.02385	0.9
151.00287	5.3
151.74287	0.5
155.05025	0.5
159.04504	0.5
161.02545	0.5
163.11211	0.8
169.01468	0.7
175.00253	0.7
178.99815	2.2
180.62386	0.5
183.04472	0.7
183.13901	0.8
187.03903	0.7
197.11700	0.6
199.04027	2.9
203.03462	0.9
209.11774	9.1
210.11967	0.5
211.13324	10.8
215.03458	1.2
217.26495	0.6
227.03488	1.8
227.12846	1.9
229.01262	0.6
233.15483	0.5
235.08252	0.8
243.02956	5.8
251.16573	1.1
253.09276	2.5
255.02988	4.9
256.03455	0.9
270.01715	0.5
271.02490	13.9
272.02988	1.5
273.11316	1.7
275.20139	0.5
278.22073	1.0
279.22192	0.6
287.13150	0.7
291.19638	2.3
292.20074	0.5
293.21225	4.8
299.01971	28.1
299.09271	2.0
300.02713	18.9
301.03516	7.4
309.20667	3.7
311.22446	0.5
317.10413	2.3
325.03616	1.1
345.09848	0.6
398.14435	0.5
399.13690	0.7
423.14255	0.5
425.19855	1.3
443.20776	4.4
445.07849	2.9
446.08563	11.7
446.14423	1.0
447.09329	9.0
448.09714	0.7
449.13007	0.6
463.14212	0.6
467.13599	2.9
592.23102	1.8
593.23944	17.7
594.24353	2.3
597.22961	0.7
739.29749	22.2
740.29944	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	739.2094
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
53.90750	1.0
56.59706	0.9
70.03788	1.0
84.83482	0.9
85.96854	1.0
96.54442	1.0
107.01291	1.2
132.02040	1.4
135.00760	1.8
151.00275	3.8
163.00288	1.5
164.33769	1.0
183.04475	1.4
190.99841	1.2
200.74623	1.0
211.03906	2.1
217.97298	1.0
227.03465	43.3
228.03981	1.4
229.04958	1.4
254.27672	1.0
255.02983	83.8
256.03561	6.9
257.04230	1.3
283.02545	1.9
284.03268	100.0
285.03876	18.6
417.39426	1.1
739.20911	31.9
740.20587	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	739.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	4.6
65.00201	2.0
65.16120	1.7
71.01241	3.2
74.32536	1.8
79.52739	1.5
87.69250	1.5
93.03351	2.1
96.95892	3.7
98.19709	2.5
107.01219	1.5
109.02796	2.0
113.02402	2.2
121.02819	6.7
125.02262	2.2
139.03870	1.6
149.02267	3.1
151.00273	5.4
159.04503	1.6
163.00325	7.9
164.01118	2.2
165.01964	1.7
175.00266	2.7
183.13823	3.0
189.98994	4.7
197.11801	2.1
209.11780	10.8
211.13351	27.3
227.03455	25.9
227.12772	2.4
228.03943	2.6
231.06606	4.1
233.58459	1.7
241.04991	3.0
243.02922	2.0
253.09254	4.5
255.03000	40.1
256.03638	6.2
257.04492	4.1
269.04431	1.6
271.02429	6.5
284.03329	18.0
285.03998	23.3
291.19647	9.1
293.21222	4.8
298.98468	1.8
299.01984	16.2
300.02634	10.3
301.03409	1.9
309.20697	17.7
311.01947	1.9
313.03543	10.6
314.04373	8.9
315.01736	1.8
327.05090	2.6
329.98837	1.7
340.02277	2.7
341.02982	1.6
346.03201	5.7
353.06635	2.9
373.12802	2.3
381.05640	2.6
381.09885	20.0
382.10144	2.6
443.20908	2.1
446.08560	10.4
523.15765	3.1
524.16772	5.2
592.23334	5.2
593.23987	59.9
594.24323	7.8
739.29669	100.0
740.30139	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	739.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.3
61.98719	1.0
65.00215	1.5
67.78104	0.6
71.01254	8.3
72.90439	0.7
72.99189	1.6
73.02821	1.3
75.00749	2.3
76.66368	0.7
79.95612	0.7
83.01275	2.4
85.02804	3.8
87.00774	1.2
88.98725	0.7
89.02332	4.0
93.03359	1.1
95.01270	1.1
95.95122	0.8
96.95910	3.1
99.00758	1.5
101.02346	2.9
107.01267	3.1
109.02885	2.5
111.04449	0.8
113.02335	4.5
119.03559	0.8
119.04916	20.1
120.05276	4.9
121.02830	1.5
125.02349	1.9
127.45028	0.7
128.10732	0.8
133.02853	1.0
134.03638	1.3
136.01524	0.8
137.02377	1.3
145.02861	1.2
145.71048	0.7
147.00713	1.5
149.02339	1.2
151.00285	8.2
156.00531	0.9
156.97539	0.8
159.04391	1.0
161.02420	0.8
163.00267	1.7
163.03925	15.9
164.04237	5.1
165.01915	0.8
165.09164	1.2
169.01338	1.0
171.04428	1.9
175.00327	1.8
175.02646	0.7
175.03896	3.5
178.99852	1.8
179.05544	1.0
183.04486	1.1
183.18257	0.6
187.03972	1.5
189.02010	0.9
190.02567	1.2
199.03914	5.6
201.01878	2.1
201.05495	1.4
203.03398	1.2
205.05061	1.7
209.08118	2.3
209.11696	1.1
211.03976	1.6
213.02002	0.8
215.03453	3.0
226.02664	1.1
227.03464	4.5
228.04135	0.9
229.04909	0.9
230.02045	0.8
242.02191	1.0
243.03004	7.5
245.04558	1.2
254.02074	1.4
255.02899	4.5
267.07199	1.4
271.02484	74.0
272.02991	4.8
283.02597	0.7
285.04016	1.9
291.19641	1.3
299.01971	100.0
300.02573	14.8
301.03531	60.8
302.03891	5.0
313.03555	1.0
341.23383	2.7
343.04514	1.4
447.09299	12.7
504.75626	0.7
517.18481	0.9
533.29077	1.8
557.20367	0.7
559.21136	2.4
559.28760	3.9
592.12207	24.0
593.04938	0.6
593.12915	36.8
594.12842	3.4
739.18732	55.8
739.32568	4.8
740.18866	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	738.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87421	0.2
59.01244	1.4
61.98706	100.0
68.85297	0.2
71.01273	0.8
73.01604	0.2
83.01259	0.3
85.02815	0.3
89.02340	0.7
97.02887	0.3
101.02335	0.6
113.02325	0.4
119.03481	0.3
127.39397	0.2
127.41273	0.2
132.20557	0.2
151.00319	0.8
163.11259	0.3
199.03973	0.3
207.17061	0.2
209.11800	2.9
211.13448	0.8
227.03648	0.2
227.13031	0.4
235.08229	0.4
243.03154	0.5
247.25407	0.3
253.09337	0.4
255.03099	0.5
271.02466	2.0
277.21744	1.0
278.22171	1.2
279.22342	0.4
291.19693	0.3
293.21338	1.1
299.01907	1.9
300.02759	3.7
301.03610	1.9
309.20703	0.3
339.15121	0.2
372.52979	0.2
397.13696	0.3
398.13809	0.4
399.14032	1.3
400.14508	0.4
417.15112	0.5
446.08759	0.4
447.09351	2.4
459.57782	0.2
551.47229	0.2
593.24390	0.7
593.46130	0.2
739.30872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57774	1.0
58.70288	0.9
59.01248	1.0
71.01254	6.6
73.02812	1.6
78.98456	5.2
79.95604	12.5
80.96396	74.9
85.02828	2.9
87.00743	2.4
94.97964	19.0
97.02859	1.6
97.97400	1.1
101.02316	1.6
106.97961	3.9
122.97443	4.0
125.02354	2.3
129.76506	1.0
134.97487	6.0
136.99049	1.6
144.94507	1.0
148.99052	5.9
152.98557	6.8
164.98558	11.5
171.10138	3.2
206.99596	3.6
225.00711	19.6
277.21735	1.7
279.23270	6.1
289.18082	3.1
365.39932	1.1
453.14005	2.4
737.41541	100.0
738.41919	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	738.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67948	0.1
57.05165	0.1
59.01251	1.4
61.98703	100.0
65.00184	0.2
71.01254	1.0
72.01605	0.1
73.02832	0.2
81.74655	0.1
85.02857	0.2
86.67313	0.1
87.00749	0.2
89.02329	1.0
90.02716	0.2
93.03380	0.1
97.02840	0.2
98.19781	0.4
101.02330	0.8
102.02672	0.2
109.06482	0.1
113.02359	0.4
114.02685	0.1
119.03355	0.2
121.02871	0.4
121.47648	0.1
125.02326	0.3
125.28386	0.1
126.29536	0.1
127.11205	0.1
143.03444	0.1
150.58635	0.1
151.00298	0.3
169.59262	0.1
175.00302	0.1
178.99820	0.1
179.05518	0.1
199.03987	0.2
203.03484	0.1
209.11916	0.2
211.13356	1.0
212.13756	0.2
225.11272	0.3
227.12982	0.2
235.08226	0.2
236.08650	0.2
243.03036	0.3
253.09355	0.3
255.03069	0.5
255.11313	0.1
271.02466	1.0
272.03534	0.1
273.11368	0.1
277.21744	1.2
278.22070	1.3
279.22308	0.7
280.22739	0.2
289.18250	0.5
290.18491	0.1
291.19876	0.2
292.20227	0.2
293.21384	0.4
294.21744	0.2
299.01987	1.3
300.02802	1.3
301.03690	0.5
309.20697	0.2
317.10303	0.3
396.04938	0.1
397.13623	0.6
398.14020	1.1
399.14026	1.4
399.22021	0.1
400.14200	0.6
415.14706	0.2
416.15027	0.3
417.15140	0.5
418.15607	0.3
425.19797	0.1
443.20792	0.3
446.08893	0.5
467.13611	0.3
593.23865	1.2
611.70642	0.1
739.29742	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	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.8
59.01255	10.7
61.98709	8.6
63.09520	0.9
63.34161	0.8
67.01711	0.7
69.03332	4.3
71.01262	8.0
71.04902	2.8
71.72775	0.8
73.02828	1.9
78.95779	1.6
83.01246	1.0
83.71907	0.9
85.02808	1.5
85.68333	0.9
87.00758	1.1
88.95123	0.7
89.01816	0.7
89.02301	3.9
97.06462	1.2
99.00759	1.3
101.02349	6.2
101.09946	0.9
111.36949	0.7
113.02341	2.4
119.03324	0.9
123.08009	1.6
125.09602	1.9
151.11200	2.3
152.99582	0.9
153.12735	3.0
161.04420	1.6
161.09601	2.7
169.12282	1.2
171.10210	1.0
172.67329	0.9
179.10732	8.1
197.11786	100.0
198.12099	3.7
207.10338	1.9
209.11786	1.2
211.13248	0.9
223.09790	1.8
225.11375	1.9
241.10829	3.7
253.09323	3.4
271.02371	1.3
277.21744	31.0
278.22058	3.0
291.19745	0.9
293.21313	1.8
299.02002	2.0
376.35193	0.9
413.11792	1.1
459.18414	1.4
477.19800	4.7
529.45929	1.0
719.41577	1.0
737.41254	98.4
738.41547	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	737.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54456	0.7
55.01775	1.1
59.01257	8.5
60.63854	0.7
61.98711	4.6
69.03338	4.1
69.37313	7.0
71.01263	6.2
71.04884	1.2
72.99221	0.7
73.02803	1.4
78.95798	1.4
83.01270	0.8
83.04920	1.1
85.02837	1.9
87.00768	0.9
89.02325	2.1
97.02827	1.1
101.02335	4.2
102.33028	0.7
107.93794	0.8
113.02348	1.9
119.03385	0.9
123.08096	1.6
125.09589	2.5
151.11177	3.3
153.12758	0.9
161.04509	0.8
161.09669	4.2
169.12283	2.7
179.10686	7.7
197.11786	50.2
198.12115	2.6
207.10223	2.3
209.11710	1.1
211.13232	1.0
223.09828	1.5
225.11252	1.4
235.08124	1.0
241.10832	2.6
253.09343	3.9
271.02429	1.7
277.21753	63.2
278.22107	5.4
289.18188	1.0
291.19766	1.0
293.21207	2.4
300.02716	5.5
309.20630	0.9
310.21011	1.0
315.05072	5.3
450.34979	1.0
459.18887	1.3
477.20221	1.3
542.78198	0.8
543.62622	0.8
737.41241	100.0
738.41644	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	737.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49734	1.8
56.95284	1.6
59.01251	6.1
61.98702	13.5
69.03373	1.7
70.62387	4.0
70.62715	2.1
71.01254	4.8
78.95796	2.2
88.22625	1.8
89.02312	3.2
100.83153	2.0
101.02341	3.4
102.77542	1.8
113.02332	3.2
119.04512	1.6
162.77644	1.8
169.12254	5.5
171.04489	2.3
175.04013	2.3
183.13831	2.3
197.11777	27.4
199.03909	6.8
201.01926	3.9
209.11711	3.0
215.03435	2.5
223.09767	2.3
226.02641	2.0
227.03416	3.1
230.00374	1.7
241.10735	3.0
243.02959	10.4
254.02121	3.3
269.31274	1.8
271.02475	100.0
272.02713	4.3
277.21759	19.7
293.21307	2.4
299.01956	95.6
300.02679	40.5
301.03076	5.2
315.05115	64.8
316.05475	3.4
665.21924	2.2
719.41229	2.4
722.28967	11.4
737.31696	68.8
737.41718	29.7
738.31128	14.6
738.43011	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	737.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50000	1.2
55.01753	3.1
57.03328	5.0
59.01254	23.5
59.54348	1.0
61.80972	1.0
69.03320	1.7
71.01255	33.2
71.57615	1.8
72.99169	7.5
73.02808	3.5
75.00750	25.9
78.14816	0.9
78.95774	1.4
81.14220	1.1
83.01264	5.4
83.04900	1.1
85.02824	36.8
87.00756	10.9
89.02322	8.3
95.01283	5.1
96.95872	4.3
99.00762	14.4
101.02325	8.8
103.00269	2.1
105.57607	1.2
111.00777	11.6
113.02338	31.7
115.00258	2.9
117.01827	2.6
119.04919	3.8
121.02894	1.3
125.02344	1.1
128.03427	1.3
129.01831	2.2
134.03662	11.2
135.04402	1.2
136.01563	1.4
137.02356	2.0
141.01802	1.3
145.02867	1.2
149.05971	10.6
150.03134	1.0
151.00262	1.2
151.03876	2.9
161.04570	1.4
163.03981	2.4
175.02451	4.3
175.03896	1.7
179.70744	1.2
191.05528	2.2
205.04933	1.3
265.10303	1.2
278.10355	10.8
284.03229	1.2
290.53934	1.1
300.02753	1.5
335.06317	4.9
353.07092	1.4
357.13162	1.3
561.29443	1.5
609.83075	1.2
677.49500	2.3
719.31049	1.6
737.32416	100.0
738.32593	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	737.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86923	0.6
54.95822	0.6
57.03313	0.9
59.01256	4.4
60.44410	0.7
61.98704	5.4
63.96132	1.5
65.00233	0.8
71.01257	11.4
73.02829	3.0
76.55495	0.6
78.95779	2.1
78.98471	7.4
79.50719	0.6
79.95609	16.9
80.96397	88.0
81.03352	1.4
83.01239	1.1
83.04922	1.1
85.02834	2.9
87.00748	3.7
89.02341	1.5
94.97969	21.4
95.01218	0.6
96.95881	4.4
97.02840	2.1
98.19800	2.2
99.00770	1.0
101.02328	3.0
106.97971	4.1
107.01269	0.9
113.02351	1.3
122.97461	3.9
125.02348	4.5
127.03895	1.1
134.03616	1.5
134.97499	6.8
136.99028	1.5
148.99039	6.4
151.00287	2.6
152.01036	0.9
152.98547	6.3
164.98572	16.6
164.99960	0.9
165.12737	1.8
167.00143	1.1
167.17207	0.7
171.10106	1.0
178.99852	2.5
183.13852	7.8
193.04996	1.7
201.11247	1.0
206.99620	2.3
209.11783	6.3
211.13335	3.0
225.00708	25.1
227.12740	1.3
230.46611	1.2
253.09398	0.8
255.02893	0.9
289.18051	1.2
291.19611	1.6
293.21301	2.9
309.20633	0.8
356.09631	0.6
360.82181	0.7
397.13580	1.3
473.27420	0.6
509.16803	2.0
588.29797	0.7
591.22314	1.6
592.99164	0.7
633.38324	1.3
635.79419	0.7
737.30579	100.0
738.30878	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	737.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.7
58.21883	1.0
59.01255	12.5
61.98709	12.6
63.13559	1.0
63.96097	1.3
65.37769	1.0
65.97582	1.0
69.03320	1.3
69.80098	1.1
71.01257	17.0
71.16347	1.0
71.58049	2.0
73.02811	3.4
78.95784	11.9
78.98466	7.9
79.95612	18.6
80.96397	100.0
81.03304	1.7
83.01233	1.2
85.02825	6.5
87.00751	4.3
89.02303	4.2
94.97383	1.6
94.97965	25.0
96.95896	71.7
96.96869	4.2
97.02806	2.6
101.02320	5.0
106.97955	4.5
110.98451	2.2
113.02326	3.3
122.97453	4.8
125.02368	6.9
125.09595	1.5
134.97458	5.5
136.99025	2.5
148.99052	9.6
152.98517	9.0
152.99570	2.1
161.04453	1.5
163.11139	1.1
164.98547	17.6
165.12662	1.4
167.01183	2.0
171.10121	3.0
174.01601	1.8
181.12093	1.2
183.13818	4.4
195.13914	1.9
197.11708	2.4
201.11176	3.3
206.32732	1.3
206.99594	4.9
207.10272	1.1
209.11781	14.7
211.13393	6.9
225.00723	25.1
253.09195	1.4
277.21603	3.6
279.23279	5.3
289.18185	1.7
291.19672	5.2
293.21338	8.4
309.20660	2.1
397.13248	1.7
415.14560	2.4
419.39362	1.3
509.16864	2.3
565.30176	1.5
651.38916	1.4
693.41943	1.4
719.28192	1.8
737.30432	65.7
738.29688	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	737.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60030	3.4
55.01759	4.4
57.03320	7.1
59.01250	38.5
60.35428	3.0
64.04721	3.1
67.01755	3.4
71.01254	49.7
71.57415	6.0
72.99197	24.9
73.02811	3.7
75.00347	4.8
75.00748	36.3
77.68593	3.1
83.01259	8.8
85.02824	33.2
87.00759	13.9
89.02323	16.6
95.01276	5.8
96.95918	11.3
97.02841	5.5
99.00760	34.6
101.02331	15.4
103.00220	3.8
109.15099	3.2
111.00783	18.6
113.02336	36.7
113.99512	19.8
115.00243	8.1
116.01023	3.9
117.01813	5.3
119.03396	5.4
119.04893	24.0
121.02818	3.3
125.02299	7.5
125.35055	3.7
128.01041	8.0
129.01854	10.0
130.15149	3.2
130.99762	10.8
131.03383	4.3
139.00320	4.6
143.03435	3.9
149.02245	3.3
156.00555	100.0
157.01299	7.5
163.03923	11.5
168.00554	4.9
169.01376	3.5
171.02921	7.2
174.01622	76.2
175.02348	14.7
187.11288	4.0
191.05539	4.4
193.03415	6.8
206.04280	9.9
249.11324	3.3
331.06848	10.2
337.07996	4.7
353.09137	4.0
437.67325	3.5
444.77957	4.2
545.56195	3.5
556.89948	3.8
557.21271	9.6
601.23975	3.8
617.24255	18.7
643.26129	83.5
644.26459	12.9
645.24072	6.8
656.83234	4.2
693.16058	4.0
705.26086	10.7
737.28485	46.1
738.28589	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	737.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.9
57.03330	4.7
59.01257	32.3
67.01743	3.4
68.99699	4.1
71.01253	38.7
71.31117	2.6
71.57977	3.6
72.99188	22.6
73.02837	5.7
75.00748	29.5
83.01270	8.4
85.02831	23.1
87.00754	14.8
87.44222	2.8
89.02319	12.8
96.95891	9.1
97.02856	3.2
99.00752	23.0
101.02315	13.6
111.00772	19.4
113.02346	38.8
113.99493	14.7
115.00270	8.5
118.98367	2.8
119.04906	11.0
121.02834	3.7
125.02359	4.3
128.01033	7.4
129.01781	5.3
130.99803	6.9
131.03491	3.3
139.00266	7.0
151.00261	6.1
156.00569	100.0
157.01266	9.9
161.04750	2.8
163.03923	13.6
165.96831	4.2
169.01321	3.2
171.02905	4.4
173.04503	3.1
174.01624	77.1
174.65880	3.0
175.02370	10.7
175.03807	2.9
175.59096	2.8
180.08081	2.6
183.83064	2.6
189.03894	4.1
191.05600	4.5
193.03381	4.3
206.04236	11.0
231.04892	3.9
273.06244	3.9
297.07797	4.2
300.02866	8.8
301.03467	6.8
312.09717	3.5
324.10132	7.1
327.12372	8.8
339.12357	16.5
433.07663	4.5
521.22772	3.0
529.23273	3.7
557.20648	6.4
617.24408	16.3
643.26123	85.6
644.26111	17.7
645.23492	9.0
677.27399	3.4
687.24847	4.0
705.25653	13.9
737.30310	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	737.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60030	3.4
55.01759	4.4
57.03320	7.1
59.01250	38.5
60.35428	3.0
64.04721	3.1
67.01755	3.4
71.01254	49.7
71.57415	6.0
72.99197	24.9
73.02811	3.7
75.00347	4.8
75.00748	36.3
77.68593	3.1
83.01259	8.8
85.02824	33.2
87.00759	13.9
89.02323	16.6
95.01276	5.8
96.95918	11.3
97.02841	5.5
99.00760	34.6
101.02331	15.4
103.00220	3.8
109.15099	3.2
111.00783	18.6
113.02336	36.7
113.99512	19.8
115.00243	8.1
116.01023	3.9
117.01813	5.3
119.03396	5.4
119.04893	24.0
121.02818	3.3
125.02299	7.5
125.35055	3.7
128.01041	8.0
129.01854	10.0
130.15149	3.2
130.99762	10.8
131.03383	4.3
139.00320	4.6
143.03435	3.9
149.02245	3.3
156.00555	100.0
157.01299	7.5
163.03923	11.5
168.00554	4.9
169.01376	3.5
171.02921	7.2
174.01622	76.2
175.02348	14.7
187.11288	4.0
191.05539	4.4
193.03415	6.8
206.04280	9.9
249.11324	3.3
331.06848	10.2
337.07996	4.7
353.09137	4.0
437.67325	3.5
444.77957	4.2
545.56195	3.5
556.89948	3.8
557.21271	9.6
601.23975	3.8
617.24255	18.7
643.26129	83.5
644.26459	12.9
645.24072	6.8
656.83234	4.2
693.16058	4.0
705.26086	10.7
737.28485	46.1
738.28589	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	737.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	0.7
59.01252	13.2
69.03335	1.3
69.46449	1.5
69.46865	3.4
71.01259	7.9
72.99183	0.9
73.02811	0.9
75.00766	1.7
76.14615	0.6
83.01260	1.3
85.02810	2.9
87.00756	1.4
87.87828	0.5
89.02324	5.1
93.03339	1.1
95.01266	0.8
95.04976	0.7
96.74298	0.6
96.95895	1.8
97.02792	1.0
99.00741	0.5
99.04417	0.7
99.39954	0.5
101.02336	3.3
109.02856	1.4
110.03056	0.6
113.02351	3.3
117.03322	0.6
119.04917	97.8
120.05257	3.1
120.87196	0.5
121.02880	1.0
123.04425	1.2
125.02357	1.8
134.03598	0.7
137.02377	1.1
139.03912	0.9
150.03162	0.6
151.00276	0.6
151.03905	0.9
161.06010	0.6
161.13321	1.3
163.03922	100.0
164.04243	4.2
165.01855	0.5
175.03903	0.8
178.99802	0.7
179.03505	0.9
179.05490	0.6
187.11249	3.6
194.35675	0.6
203.07251	0.8
205.05080	0.9
205.12325	1.3
218.08176	0.9
245.08174	1.5
249.11375	0.6
251.83504	0.5
271.19153	0.5
289.07181	6.0
299.01938	0.7
300.02402	0.5
301.03488	0.5
325.09180	2.9
379.08688	0.6
393.15515	0.8
450.98615	0.6
498.85999	0.6
513.21265	5.4
514.21637	1.2
557.20142	6.6
558.20685	0.9
573.21606	0.9
737.27875	7.5
738.27631	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	737.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.3
60.29785	1.5
61.98712	9.5
69.04356	1.6
71.01259	12.5
71.57851	3.1
72.99210	1.9
73.02834	2.0
75.00738	2.7
78.82710	1.7
80.96394	6.6
81.80979	1.5
83.01273	3.3
85.02825	4.4
87.00742	2.4
88.03008	1.6
89.02325	4.2
95.01304	1.8
96.95907	3.4
99.00773	3.8
101.02328	3.7
105.31957	1.6
109.02804	2.2
113.02385	3.9
125.02310	3.5
132.02078	21.6
133.02740	1.9
134.03629	22.3
134.04593	5.0
137.02271	1.5
149.05991	5.9
150.20131	1.8
151.81454	1.6
152.68906	1.4
153.01848	1.8
160.01576	78.7
161.01939	3.8
165.12685	1.9
171.10202	4.6
175.03923	94.7
176.04274	4.5
185.11761	2.4
193.05016	22.9
201.11386	2.0
209.11784	2.9
211.13339	3.2
281.08218	8.8
293.08228	1.9
296.10648	2.9
309.07715	29.7
323.09293	5.6
324.10028	17.6
337.09290	100.0
338.09625	6.4
339.12418	29.1
340.12665	2.2
425.64972	2.0
462.19629	1.7
590.21478	2.9
594.69287	1.8
651.36688	1.8
677.22198	5.7
737.26282	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	737.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67983	0.4
58.00459	0.7
59.01256	13.1
61.98713	1.0
62.92662	0.4
69.03323	0.7
71.01263	9.3
71.57758	0.7
72.99186	1.5
73.02826	1.3
75.00760	1.2
83.01273	1.7
85.02824	3.3
87.00763	1.7
89.02320	5.0
93.03352	1.3
95.01243	0.7
95.04915	0.7
96.95905	1.0
99.00757	1.2
101.02317	3.2
101.06011	0.5
107.04957	0.5
113.02341	3.6
113.99499	1.3
115.00252	0.5
117.03308	0.5
119.04926	100.0
120.05241	4.1
121.02891	0.5
123.04449	0.4
125.02341	1.0
134.03658	0.7
135.04420	0.6
137.02304	0.5
143.03423	0.7
149.02419	0.6
153.41312	0.5
156.00488	0.7
161.13284	1.7
161.27032	0.4
163.03932	93.1
164.04279	3.5
174.01674	2.5
175.01962	0.8
175.03906	0.9
179.05659	0.7
187.11281	2.8
190.02748	0.6
205.05003	0.8
205.12286	1.7
223.06042	0.7
229.12321	0.8
231.10283	0.4
249.06161	0.6
249.11353	0.7
273.11386	0.8
325.09253	3.0
329.13773	0.7
337.09146	0.8
393.15588	2.1
513.21185	4.5
520.44434	0.6
557.20343	11.2
558.20544	1.9
573.22125	1.0
631.52856	0.5
635.22839	0.6
677.27130	0.7
693.30194	1.7
737.26093	8.1
738.26782	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	735.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	16.8
61.98703	6.6
70.62000	3.0
71.01262	17.3
72.99191	5.9
78.95781	4.3
83.01252	3.7
85.02825	4.3
86.36384	2.6
87.00773	6.2
99.00781	11.6
111.00771	7.2
112.98711	30.5
115.00254	16.4
118.51212	3.1
142.99751	18.9
173.00867	13.0
174.01630	100.0
174.99138	3.4
175.02367	22.8
183.13750	3.7
193.42992	2.6
211.13368	15.4
217.00351	11.0
223.13339	7.7
248.16914	3.2
256.18243	2.7
263.12936	3.2
289.17831	4.2
293.21292	16.1
443.28345	3.0
643.19818	3.4
675.21655	4.3
675.37628	5.7
735.39032	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	735.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
55.67451	0.4
57.03326	0.8
59.01254	6.3
61.98703	0.6
63.64968	0.3
69.03317	2.0
70.15675	1.2
71.01251	5.1
71.04898	0.8
73.02843	0.5
83.01238	0.5
85.02838	1.3
85.06496	0.6
87.00780	0.8
89.02323	2.1
95.04885	0.6
98.20384	0.5
101.02328	4.0
102.25655	0.3
109.06481	0.7
112.98682	0.4
113.02348	2.3
119.03419	0.7
125.02371	0.5
125.09595	0.6
143.03406	0.4
145.05005	0.6
149.09618	0.7
158.44461	0.3
161.04471	2.1
161.13240	0.4
167.10686	3.2
174.01607	0.7
177.12782	0.7
179.05579	0.7
179.10663	0.9
179.14346	4.5
195.13846	16.9
196.14256	1.1
205.12286	10.2
206.12772	0.4
209.11751	0.5
211.13388	0.9
221.11635	0.3
223.13351	100.0
224.13701	5.9
225.14870	0.6
228.13495	0.4
235.08188	3.5
253.09276	14.7
254.09615	0.9
256.13196	0.9
275.20184	5.0
276.20435	0.6
277.21805	0.5
293.21228	78.0
294.21530	6.6
459.22333	8.8
460.22681	1.1
499.34518	0.7
503.80655	0.5
529.30090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.6
58.54520	0.9
65.00198	1.1
69.03316	4.1
69.40191	7.2
71.01279	0.8
83.01268	1.4
88.33157	0.9
99.92037	1.2
107.01244	3.2
108.02026	1.2
109.02831	2.1
111.08059	1.4
113.05946	0.9
119.04881	1.7
121.02831	2.6
130.28691	1.0
135.00793	1.2
139.11229	6.2
148.01552	1.2
149.02419	1.0
151.00278	15.3
163.00264	3.8
178.99817	6.0
183.10184	34.7
184.10541	3.0
199.04080	1.3
211.03920	1.5
211.31488	0.9
227.03426	3.3
243.02971	9.7
245.04538	1.7
254.02063	1.9
255.00273	1.2
255.02968	22.4
256.03387	2.5
271.02487	46.1
272.02893	4.6
273.03763	1.3
283.02484	1.3
287.80792	1.1
299.01941	1.5
300.02744	69.8
301.03506	62.6
301.12897	36.6
302.03827	3.8
302.13303	4.2
433.07748	100.0
434.07971	11.2
502.21765	0.9
735.30859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
58.00480	1.9
59.01254	36.4
61.98707	16.2
68.99680	0.9
69.03336	2.7
71.01258	31.1
72.99178	3.2
73.02818	9.5
78.77092	1.2
78.95776	2.5
81.03342	2.4
83.01270	6.1
85.02821	9.2
87.00747	24.0
89.02319	23.3
91.03894	1.1
95.01272	4.3
97.02812	5.9
99.00772	1.8
99.04445	0.9
101.02328	35.0
107.01268	1.2
112.47453	1.0
113.02337	21.7
115.14794	1.0
119.03390	7.6
125.02335	15.5
131.03395	1.2
143.03427	7.8
150.71355	0.9
161.04495	10.5
171.10229	1.2
178.95905	0.9
179.05653	5.3
190.43513	1.1
203.05545	1.9
211.13379	4.5
213.14886	2.9
221.06586	2.9
225.11345	1.2
232.16087	1.2
235.08191	14.8
253.09285	9.8
261.64285	1.0
263.07895	2.3
277.21729	100.0
278.22040	7.9
287.07629	5.2
291.23422	1.4
295.22729	3.0
305.08871	7.4
323.09946	2.8
397.13510	72.1
398.13882	3.1
415.14587	60.2
415.48019	1.3
416.14853	5.0
735.42059	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68579	1.0
58.00462	2.7
59.01252	48.2
65.88092	1.1
69.03290	1.2
71.01257	19.9
72.99177	4.2
73.02816	4.7
78.95777	6.8
83.01234	1.4
85.02826	9.4
87.00747	2.2
89.02312	13.5
93.03305	1.6
96.95917	1.3
96.96811	1.6
99.00782	1.8
101.02320	11.7
103.03893	5.3
109.02850	1.4
113.02317	4.6
117.76731	1.0
119.03387	4.7
119.08551	26.9
120.01154	1.3
121.02815	2.1
122.03628	2.0
123.04388	2.0
134.03604	1.4
135.04381	2.2
136.01563	1.6
137.02275	1.4
142.77379	1.0
146.03619	7.1
149.02307	3.2
150.03148	10.3
151.03874	3.9
152.99486	4.9
161.05946	4.3
162.03076	3.8
163.06151	1.8
163.07547	12.8
164.03499	1.3
164.04671	7.6
165.05499	9.1
177.05484	4.4
179.03436	1.5
179.05609	2.1
179.07033	8.1
180.04198	2.7
181.04880	1.4
183.10101	1.4
195.06552	8.1
200.93224	1.1
211.13329	5.0
241.01089	1.6
241.29126	1.4
315.14682	1.5
325.10413	1.7
327.14542	31.8
328.14560	1.6
345.15536	100.0
346.15811	6.8
489.06488	1.3
505.17365	8.4
527.19110	6.3
541.20563	3.5
553.18573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.1
61.98688	0.5
69.03312	0.4
70.09863	1.7
71.01251	2.8
73.02793	0.3
75.00756	0.4
78.95764	0.9
84.34339	0.3
85.02813	0.5
89.02331	1.2
101.02310	1.3
109.06519	0.5
109.59563	0.4
113.02352	0.6
161.04485	0.7
164.61728	0.4
167.10558	0.5
167.14388	0.8
179.05443	0.4
183.13847	4.8
193.12328	2.0
207.10307	0.7
209.11809	1.7
211.13342	100.0
212.13676	4.3
216.39273	0.4
225.11284	0.6
227.12891	0.6
235.08206	1.8
253.09274	3.6
373.23889	0.4
387.25510	0.5
429.21060	0.8
447.22302	7.9
447.28012	0.6
448.22644	1.1
532.90637	0.4
623.34332	2.0
641.35626	1.2
673.36127	0.4
734.42383	1.0
743.86194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.5
58.87041	1.2
59.01257	38.7
60.01604	1.1
68.41945	1.2
70.32491	4.9
71.01257	21.9
72.99193	8.9
73.02825	2.9
75.00751	23.5
79.73315	1.4
83.01228	1.2
83.04906	2.7
85.02343	1.9
85.02831	23.7
87.00758	11.1
89.02328	4.1
95.01275	5.4
95.03777	1.3
99.00761	12.1
99.81350	1.1
103.00279	2.5
113.02336	25.7
115.00197	2.3
117.01831	2.8
125.09586	3.0
127.11266	2.1
129.01823	1.8
139.92662	1.3
155.10648	1.8
157.01364	1.9
163.11189	2.3
165.09117	1.9
175.02344	3.6
201.11281	21.4
209.11777	22.7
210.12250	2.4
226.37808	1.3
227.12784	2.4
233.02127	1.3
233.04979	1.5
242.37375	1.3
249.06219	2.7
255.23289	100.0
256.23593	8.4
289.80988	1.2
505.30057	4.1
621.73413	1.5
671.40118	1.4
689.41339	16.5
690.41736	2.6
697.40442	1.4
715.42828	69.4
716.43140	12.8
719.21503	1.3
733.43860	100.0
734.44183	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	733.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	9.9
61.04085	1.2
65.24876	1.5
71.01253	1.5
78.91765	5.7
98.20730	1.3
108.25788	1.3
110.87321	1.3
121.99386	1.4
123.04542	1.5
125.02312	1.8
148.05209	3.0
151.04018	1.6
163.07507	2.2
165.42369	1.5
289.07202	1.6
423.65570	1.5
442.16501	3.2
453.11801	1.8
455.17459	10.3
456.17889	3.5
457.18915	16.5
458.19162	2.8
469.11682	3.2
470.16266	2.1
473.18390	15.3
474.15652	4.5
482.12518	2.4
483.12723	2.0
485.18530	7.6
486.18607	2.2
496.13776	9.1
497.14529	3.8
502.14804	2.1
511.16110	12.0
512.13245	29.1
513.13684	6.5
513.20990	2.2
526.14905	17.8
527.15698	15.9
528.16296	4.1
568.04822	1.5
583.18353	5.6
584.18420	2.4
597.20038	3.7
599.21716	10.0
600.21826	2.7
613.19336	2.4
614.20233	100.0
615.20691	39.4
616.20819	3.6
629.22778	1.6
633.01868	1.5
646.19122	16.0
647.18958	2.5
673.21570	5.4
733.23944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.4
59.01254	100.0
60.01609	1.3
61.98703	7.8
69.03346	2.2
69.43173	5.5
69.43604	4.9
69.91837	1.2
71.01255	36.3
72.99194	3.5
73.02823	8.8
74.74795	1.2
75.00758	2.6
78.95764	2.4
79.63242	1.2
82.00510	1.2
83.01275	5.2
85.02828	15.3
87.00765	5.5
88.98660	2.4
89.02328	15.1
95.01290	4.3
96.95908	12.1
97.02856	2.5
98.19867	2.5
99.00789	3.6
99.04384	1.7
101.02330	17.1
108.02084	1.6
109.02827	1.7
111.00782	1.7
113.02338	21.9
115.03893	1.2
119.03406	3.7
121.02885	2.4
123.04298	1.3
124.01585	2.2
125.02374	7.7
127.03850	1.5
128.03476	1.5
131.03398	3.0
136.01559	1.6
138.00421	1.3
143.03441	5.1
147.04407	1.3
149.02371	2.5
150.03082	3.8
151.00284	4.0
151.03905	1.4
152.00980	1.6
153.01883	1.3
160.01617	1.6
161.02359	1.9
161.04488	4.0
165.01843	2.3
165.05385	2.4
175.04028	1.7
178.99911	2.0
179.05522	1.7
183.10219	3.5
190.02689	1.5
195.06544	1.5
205.05028	1.8
209.11766	2.8
271.02536	2.4
272.03067	1.5
275.14923	2.2
285.03903	1.3
287.53506	1.4
290.30145	1.3
299.01993	6.1
300.02725	2.6
301.03488	3.0
317.41324	1.5
399.24066	1.9
492.17590	1.5
525.27014	11.9
526.27600	2.2
533.29279	9.7
534.29657	4.7
543.19708	2.3
543.28064	44.9
544.28815	6.1
561.28918	15.2
585.29376	3.5
603.30524	8.3
733.30859	1.6
734.24451	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	733.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01210	1.8
56.57124	1.7
57.03317	4.4
59.01246	7.0
69.03326	8.3
69.85548	2.3
71.01259	96.7
71.04911	1.9
72.99186	1.7
73.02795	2.4
75.00732	4.3
78.95782	2.5
85.02811	2.8
86.03619	2.1
93.03333	3.6
96.95887	7.0
98.20538	6.9
107.01270	2.2
109.02830	4.1
113.02306	2.4
115.00272	32.2
119.04922	3.3
125.02391	2.6
135.04378	2.7
137.02327	2.4
139.11165	11.8
151.00247	7.5
152.01080	8.1
152.99496	2.6
153.01833	5.5
154.88843	2.0
161.02420	2.5
163.03812	2.8
166.02530	2.2
169.01436	2.8
175.03951	3.7
177.01793	2.0
178.99805	9.5
183.10216	100.0
184.10507	4.7
211.13319	2.6
233.06621	4.2
241.01102	3.0
243.03133	2.4
255.03047	15.4
271.02475	29.6
274.34937	2.1
299.02182	11.3
299.11334	27.3
300.02765	53.9
301.03479	33.5
315.07169	4.5
335.07730	2.4
433.07779	72.5
433.13766	3.5
434.08075	6.3
519.88641	1.9
527.19385	3.5
733.22180	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	731.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91643	0.8
56.08416	0.8
60.99179	18.8
69.40751	9.1
81.13323	0.9
84.32892	0.9
87.00747	10.4
88.00255	1.7
88.98679	100.0
89.02325	18.8
112.08852	0.8
132.96756	0.9
165.88390	0.8
186.19987	0.9
189.79289	1.1
201.30252	1.0
389.31836	0.9
408.65070	1.1
410.41669	1.1
438.13535	2.8
467.13535	2.1
481.15186	16.0
482.15475	5.8
495.16718	2.3
497.18359	3.4
514.14838	7.5
524.64270	1.0
540.16559	3.2
541.16742	1.2
554.17944	1.0
555.18878	37.7
556.19067	8.2
572.15417	6.4
573.15259	1.4
641.22284	1.0
659.23712	23.5
660.23700	5.9
731.24939	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	733.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	37.8
65.25803	4.1
69.23496	38.8
69.23913	8.6
71.01257	20.4
73.02813	5.2
78.95751	5.6
83.01247	5.0
85.02792	9.7
88.98682	4.6
89.02310	7.8
93.03328	6.4
96.95897	9.7
101.02351	8.6
108.02057	4.3
109.02825	7.4
113.02328	12.0
119.04891	9.4
123.00748	5.3
124.01563	4.9
125.02319	14.2
134.03615	7.0
135.04430	25.0
137.02382	7.2
141.49744	4.1
147.19147	4.0
149.99547	6.0
151.00238	11.3
151.03844	6.5
152.69276	4.2
161.02324	5.5
161.04468	4.5
163.03946	13.8
168.00603	6.1
168.72469	3.9
169.01291	5.8
173.04478	5.0
181.04825	4.8
190.02687	4.8
191.05522	12.4
227.03482	28.7
229.05121	4.8
233.06523	6.7
255.02974	46.0
256.03406	9.0
271.02710	4.7
284.03214	46.1
285.04047	51.8
301.03778	4.3
301.07190	15.3
315.14380	5.6
431.09784	100.0
432.10062	6.2
478.45511	4.4
527.49170	4.4
733.19910	11.4
733.31958	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	731.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24760	0.3
59.01253	4.6
60.66007	0.3
61.98706	1.2
63.02293	0.9
65.00235	1.1
69.86314	2.0
70.27515	0.3
71.01250	2.5
72.99207	1.0
73.02837	0.7
75.00793	0.5
78.95815	0.4
81.03299	0.3
83.01279	0.6
85.02839	1.1
87.00764	0.5
89.02346	1.5
89.96617	0.3
91.48283	0.3
93.03366	0.9
96.95885	0.7
98.20473	0.6
99.00764	0.5
101.02331	1.7
107.01281	1.8
109.02849	0.4
113.02367	1.2
117.03350	3.8
119.03424	0.3
119.04928	0.4
121.02834	0.4
125.02327	0.7
125.54896	0.4
133.02841	0.4
141.03391	1.0
145.54109	0.3
149.02364	0.5
151.00262	1.8
155.04951	1.4
159.03215	0.4
159.04373	1.9
161.02367	0.4
161.04497	0.9
163.03915	0.4
165.05531	0.4
169.01332	0.5
171.04472	1.2
171.10191	0.5
173.06052	0.4
178.99823	0.7
179.06963	0.4
181.08664	0.5
182.03679	1.3
183.04457	8.4
185.02383	1.0
186.03127	0.6
187.03996	0.5
190.02634	0.4
191.05377	0.4
197.02444	0.5
199.03970	1.0
209.11845	0.9
210.03296	0.4
211.03964	3.8
211.13275	0.5
212.04538	0.4
214.02675	0.8
215.03275	0.4
227.03476	9.7
228.03853	0.7
241.01442	3.5
242.02122	1.6
243.02885	1.5
245.00830	2.4
255.02982	47.2
256.03387	4.0
270.01740	5.3
271.02493	7.7
272.02899	0.6
282.01575	0.7
283.02484	100.0
284.02963	10.7
285.03946	3.3
286.04303	0.4
298.01175	2.4
299.01971	9.1
299.05310	0.5
300.02667	3.5
301.03448	1.1
445.07764	17.6
446.08118	2.7
447.09387	2.4
482.28632	0.4
730.40656	0.5
731.24609	0.8
731.36676	0.6
738.04456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.7
58.00454	3.6
58.06770	1.0
59.01255	100.0
60.01573	1.9
61.58313	1.0
61.98689	3.5
71.01257	32.6
72.99190	5.3
73.02826	13.1
73.17238	1.0
75.00738	1.8
76.91444	1.0
78.95790	1.0
81.03332	1.7
81.16515	1.0
83.01262	2.9
83.04917	1.4
85.02827	15.7
87.00753	1.7
89.02313	9.5
95.01255	1.6
96.95864	1.1
99.00755	3.3
99.04389	1.6
101.02318	12.9
103.03890	6.0
111.04398	1.2
113.02342	5.2
119.03378	3.2
119.04919	1.5
121.10137	6.9
125.09554	1.2
127.03882	1.2
145.04971	2.3
149.02367	1.9
151.07408	0.9
157.38023	0.9
161.04500	5.5
163.06024	1.8
165.09074	3.4
175.00288	1.8
175.02444	0.9
179.36845	0.9
181.08688	1.0
183.10175	2.5
185.11778	1.0
190.02635	3.3
201.11205	1.7
205.05008	3.9
209.11708	2.7
211.13344	4.0
223.06035	2.3
311.15024	14.6
329.16043	25.8
330.16287	2.4
331.17645	10.8
371.17087	3.7
373.18799	1.3
481.95352	1.1
553.79950	1.1
579.17297	1.1
627.27032	1.2
631.23926	2.3
711.33319	1.1
729.38373	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	729.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.0
61.98687	1.8
69.03325	0.6
71.01246	3.3
71.35439	1.5
72.99186	1.5
75.00774	0.9
80.04932	4.0
82.02875	0.9
85.02832	1.4
87.00758	1.6
89.02348	1.2
94.06509	1.9
97.01556	1.8
101.02322	0.7
104.04984	1.3
106.06518	15.3
108.04424	4.3
108.08064	1.7
109.05215	0.8
113.02330	1.3
120.04432	2.2
122.06017	8.7
124.03993	0.8
124.07596	8.6
132.04451	2.6
132.08113	0.8
134.06021	6.1
134.09686	0.7
136.03912	2.3
137.02408	0.7
138.05530	0.7
148.03951	26.2
150.05507	8.1
152.07098	3.4
160.03958	22.6
160.05321	1.2
161.04568	1.6
162.05553	4.6
166.05037	5.7
168.06593	6.7
174.05540	2.0
176.07069	2.9
178.05022	1.0
193.03729	2.0
194.04544	1.0
201.11285	0.9
209.11755	1.1
210.05576	1.0
211.08708	3.1
211.13350	2.9
212.07193	0.9
215.11844	1.7
221.84863	0.8
223.13208	0.7
225.10252	1.5
227.11900	5.3
229.09773	0.8
229.13423	0.9
231.11333	2.4
233.28719	0.8
237.06506	0.8
239.08235	2.7
240.10463	3.5
240.12323	0.8
241.09793	9.3
242.10152	0.7
243.11365	3.4
251.08513	0.7
251.11945	0.9
252.09161	3.6
253.09772	7.7
254.10713	1.6
255.11293	2.8
267.11383	10.4
268.12024	1.4
269.12943	9.3
273.12448	20.0
274.12787	1.0
277.09860	1.9
291.13663	3.9
295.10919	6.4
301.11993	2.4
311.10355	9.6
313.11951	30.6
314.12292	1.9
317.11438	1.5
327.09885	2.4
335.12399	0.7
339.09680	3.6
345.10822	1.5
355.09317	2.3
422.17145	1.4
452.18173	10.3
453.18497	1.8
470.19351	1.1
488.14975	2.3
506.15720	4.3
571.21692	1.6
613.12952	1.5
613.23096	41.5
614.23438	7.5
631.24109	100.0
632.24377	17.4
728.38177	1.2
729.38239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79804	0.9
57.03315	4.3
59.01257	16.4
60.18832	1.1
61.98689	1.6
68.99696	1.5
69.23782	3.2
69.24197	9.7
71.00897	1.5
71.01260	22.5
72.99190	6.9
73.02816	2.4
75.00748	18.7
75.27911	1.0
78.95770	1.1
83.01250	1.5
85.02835	19.6
87.00757	9.5
89.02303	4.8
93.03329	2.8
95.01270	5.4
96.95904	2.0
98.19798	1.3
99.00766	13.8
99.17272	0.9
101.02337	3.1
103.00271	1.7
104.75594	0.9
108.02029	1.2
109.02837	2.3
111.00784	2.4
113.02338	15.0
115.00245	2.3
117.01855	2.1
125.02396	1.8
125.42094	1.0
129.01860	1.4
134.03607	2.8
137.02338	1.9
149.02325	1.6
151.03877	2.1
152.01027	1.8
153.01857	1.3
161.02255	1.1
167.14331	21.9
168.14549	1.5
171.21649	1.0
173.04524	1.1
175.02313	3.4
175.03795	2.5
179.03345	1.3
188.16260	1.0
191.05455	1.1
193.04971	1.6
195.06616	1.5
205.05031	1.6
211.13326	21.7
229.14424	56.4
230.14749	3.4
235.05969	1.3
248.33858	1.0
249.06140	6.5
265.06808	1.1
267.07101	5.2
301.16263	1.3
303.18283	2.3
303.99606	1.0
367.10492	1.5
479.21378	2.0
519.15613	1.3
549.21185	2.2
553.25024	10.6
554.25244	2.0
608.34882	1.2
611.32983	2.3
667.28247	2.3
685.31818	1.1
711.26599	2.6
729.28192	100.0
730.28455	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	729.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.8
67.85667	0.6
69.23354	2.6
69.23779	5.6
71.01259	5.1
71.67154	0.7
72.99171	1.0
73.02856	0.7
85.02837	2.1
87.00767	1.1
89.02327	0.9
91.01775	0.9
91.59001	0.6
93.03362	2.7
96.95899	1.1
99.00784	0.9
101.02335	1.7
108.02133	0.8
109.02838	6.1
113.02364	2.2
119.01265	3.2
119.04944	1.2
121.02843	16.7
121.03665	1.0
122.03635	9.7
123.04470	1.3
124.01593	1.2
125.02393	0.9
134.03682	2.2
135.04459	2.9
136.01659	1.0
136.05168	0.9
137.02307	3.3
141.93344	0.6
147.00810	1.9
147.04434	7.7
148.05147	1.1
149.02344	14.1
149.05919	0.9
150.03044	1.0
151.00217	1.0
151.03935	1.0
152.01187	1.2
153.01866	1.1
154.02663	2.2
160.01604	0.8
161.02325	0.9
161.06018	2.4
163.03902	2.3
164.04701	14.5
165.01901	1.6
165.05484	26.0
175.00285	22.9
175.03943	1.4
176.00859	1.3
176.04602	0.7
177.05518	0.8
178.06352	0.8
179.07066	12.9
180.07448	0.9
190.02638	55.3
191.03242	3.8
191.06961	0.7
193.01456	0.8
205.05002	68.6
206.05411	3.8
207.02881	1.1
208.03741	2.0
209.04564	1.2
221.08176	1.3
223.06044	17.2
223.09555	1.2
247.06110	1.6
289.07117	1.8
295.59821	0.7
298.12003	1.1
305.51407	0.7
313.14584	1.1
315.12384	2.8
346.14172	9.1
347.14804	3.9
352.08231	1.0
357.13550	1.5
361.16559	56.4
362.16824	5.7
367.10321	100.0
368.10590	8.3
387.14331	0.8
421.80136	0.7
592.10291	0.6
729.27490	22.6
730.27948	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
59.01254	5.2
65.00188	0.6
71.01260	9.2
72.99171	1.0
73.02822	5.0
75.00753	1.3
81.03148	0.6
83.01260	2.9
85.02822	4.0
87.00771	1.2
89.02315	3.5
96.95886	0.8
99.00760	22.1
101.02329	14.1
105.03347	1.0
107.40704	0.6
109.02859	0.7
113.02338	5.1
116.87296	0.5
121.02773	0.8
123.04449	0.9
125.02330	1.3
131.03412	1.5
133.02850	0.7
135.04326	0.7
137.02348	7.9
143.03416	2.3
149.02328	0.8
150.05629	0.7
151.00319	0.7
151.03920	8.0
161.02359	23.5
161.04376	4.2
162.03000	1.2
163.03993	0.9
165.01851	64.6
166.02594	4.1
173.04509	1.2
176.04718	11.6
177.01817	1.8
177.05400	1.7
179.03427	42.2
180.04214	46.5
181.04927	4.9
183.06610	3.8
191.05542	6.7
191.07108	3.9
192.04259	4.4
193.04803	0.6
194.05798	30.1
195.02957	3.1
195.06564	100.0
196.06935	4.8
207.06581	6.6
209.08142	36.1
210.05293	6.6
210.08490	2.1
225.07645	27.8
226.08032	1.3
233.06604	1.1
267.07129	1.2
286.42642	0.7
293.08835	3.9
296.52609	0.6
356.66681	0.7
357.11777	1.4
358.45837	0.7
435.16620	0.8
489.16144	4.9
519.17206	78.9
520.17462	9.6
628.78418	0.7
729.27240	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	727.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	22.1
71.00507	1.2
71.01265	2.9
73.02820	0.7
78.95774	0.9
85.02810	0.5
86.82005	0.4
89.02328	1.9
93.33779	0.4
101.02332	2.5
113.02310	1.0
125.09623	0.5
125.38194	0.4
127.11207	1.5
145.05009	0.6
146.36411	0.4
152.99489	1.2
161.04456	1.0
171.10184	93.0
172.10541	4.1
209.11784	4.2
222.75624	0.4
235.08209	4.0
253.09265	8.5
255.23238	1.2
259.20718	0.4
277.21719	100.0
278.22064	8.8
281.24887	5.4
282.25323	0.5
330.20657	0.4
407.19162	1.1
513.30725	0.5
529.25415	0.5
637.37787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08469	0.3
57.86131	0.4
57.93414	0.4
59.01255	14.3
69.74844	0.4
71.01240	2.1
71.49352	0.5
71.49722	0.4
78.95760	0.4
89.02284	1.0
93.68526	0.3
101.02309	1.2
113.02325	0.7
125.09608	0.7
127.11190	1.8
138.97676	0.4
153.09180	0.6
160.25911	0.4
163.76306	0.4
171.10184	100.0
172.10519	4.4
202.58492	0.4
209.11800	1.0
215.50452	0.4
217.07782	0.4
228.39113	0.4
233.22702	0.4
235.08186	1.2
253.09238	4.1
255.23273	0.9
277.21729	41.8
278.22101	4.3
281.24887	0.8
407.19342	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	729.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79691	1.1
55.01757	1.7
59.01258	7.3
69.58100	7.3
71.01254	10.7
72.99182	0.7
73.02826	6.3
83.01278	3.6
85.02807	4.4
88.98683	2.6
89.02322	4.8
93.03316	1.2
95.04977	0.9
98.19798	1.8
99.00759	25.3
101.02322	17.9
105.03327	1.2
109.02851	1.2
113.02328	4.8
125.02274	1.0
131.03421	2.1
133.02882	1.0
137.02364	7.4
140.00899	0.9
143.03419	2.8
143.33847	0.9
147.00792	1.2
151.03958	6.6
161.02380	25.2
161.04370	4.5
162.03058	2.8
165.01863	61.8
166.02542	5.8
176.04730	11.1
177.01906	3.6
177.05460	2.6
179.03441	47.3
180.04210	42.2
181.04889	5.9
183.06601	1.8
191.05537	9.9
191.07120	4.4
192.04283	1.9
194.05791	34.2
195.02908	3.2
195.06578	89.3
196.06975	4.9
207.06578	6.1
209.08165	36.5
210.05276	4.9
210.08423	2.1
225.07664	23.7
226.08017	1.6
233.06650	1.6
293.08743	4.2
295.27115	1.0
357.11966	1.9
361.15140	1.1
387.14587	2.0
519.17212	100.0
520.17633	10.8
591.77509	0.9
694.02997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28105	0.4
55.01750	0.9
57.03328	2.6
57.30833	0.4
58.00472	0.8
59.01257	16.8
61.98670	0.6
68.99689	1.4
69.03316	0.7
71.01259	20.0
72.99187	6.9
73.02818	2.2
75.00752	13.2
81.25677	0.5
82.35373	0.5
83.01247	1.9
85.02827	13.1
86.03126	0.4
87.00757	5.6
89.02329	5.6
95.01268	3.8
98.20586	1.0
99.00774	7.5
100.57169	0.4
101.02327	5.4
103.00234	0.5
110.32353	0.5
111.00755	0.9
112.01579	0.5
113.02335	13.5
115.00246	1.4
117.01110	0.4
117.01805	2.0
119.03394	1.8
127.11170	0.9
129.01825	0.7
139.00310	0.5
141.12741	1.0
145.02753	0.4
153.37627	0.4
155.10698	0.7
163.04048	0.4
171.10187	1.4
175.02368	1.2
199.09689	0.5
201.11256	1.5
209.11778	0.8
211.13307	1.5
249.06111	3.8
253.03423	0.5
253.09332	0.5
260.49075	0.4
267.07227	1.1
279.23212	0.9
285.04065	1.1
293.21066	0.7
297.24411	6.0
298.24707	0.8
313.23819	1.5
315.25397	19.1
316.25842	1.5
340.81061	0.5
361.96793	0.5
459.29822	1.5
477.30746	8.9
478.30865	1.0
709.36786	2.1
727.37634	100.0
728.38049	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	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18571	1.6
57.03286	2.0
57.72983	1.4
59.01254	42.8
65.08138	1.4
65.19920	1.5
67.22424	2.0
71.01239	6.9
71.58219	1.5
71.58635	2.2
78.95789	2.4
79.44054	1.9
89.02322	4.5
101.02306	3.7
105.21501	1.6
122.88799	1.7
125.09605	1.7
151.11177	5.1
152.99574	1.6
169.12256	37.8
170.12584	2.3
171.10187	97.0
172.10541	3.6
209.11803	2.4
213.11293	5.3
231.12294	4.7
253.09291	4.1
255.08690	2.0
277.21741	35.5
278.22018	4.2
407.19064	2.2
449.20602	2.3
467.21402	4.4
709.41608	7.4
727.42712	100.0
728.43268	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	727.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06920	0.3
57.03321	1.1
59.01259	2.2
69.71577	1.8
71.01256	2.7
73.02822	0.5
78.16852	0.3
80.31461	0.3
83.95468	0.3
85.02822	0.8
87.00789	0.3
89.02326	1.5
93.03345	0.4
96.95930	0.4
98.19817	0.6
101.02324	1.5
109.49990	0.3
113.02313	1.3
119.04922	94.2
120.05262	3.5
135.04433	0.7
143.03448	0.5
151.07574	1.6
161.04547	1.6
161.09641	0.4
163.03926	100.0
164.04254	4.8
165.09090	0.4
165.92320	0.3
177.09195	0.3
179.05533	0.6
179.10703	1.1
182.53484	0.3
188.08336	0.8
198.35483	0.3
203.10741	5.7
204.11063	0.5
209.11874	0.3
221.11780	10.0
222.12115	0.5
305.75122	0.3
325.09305	10.3
326.09604	0.8
367.45508	0.3
383.17133	0.5
401.18021	0.4
460.19373	0.3
460.94556	0.3
641.48444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
57.03320	4.1
58.00451	1.5
59.01253	22.1
68.99715	1.4
69.03317	1.2
71.01253	24.9
72.58501	1.3
72.99181	7.5
73.02818	3.6
75.00745	12.6
83.01256	3.3
85.02831	24.2
87.00745	4.5
89.02323	8.5
95.01279	6.0
96.95877	2.4
99.00748	8.0
99.92461	8.5
99.99266	1.1
101.02335	7.8
111.00771	1.8
113.02328	18.1
115.00218	1.3
115.16814	1.2
116.92748	77.5
117.92752	5.2
119.03337	1.9
121.10148	1.7
129.01855	1.5
131.03392	2.4
132.48712	1.1
136.16908	1.1
139.00270	3.1
165.99028	1.8
166.99680	1.4
167.10683	3.5
170.75502	1.2
175.02444	1.8
193.28488	1.0
243.02943	1.3
249.06129	6.2
267.07126	2.2
271.02502	5.4
287.01898	3.6
300.02814	2.4
315.01517	1.6
315.14578	1.4
316.02301	9.6
317.02737	7.9
358.24210	1.2
373.12930	1.4
404.54916	1.2
417.18076	1.3
477.19846	1.5
479.08289	4.6
521.09436	15.2
522.09412	2.3
547.23938	1.4
556.56592	1.3
609.14075	2.2
683.14795	4.7
709.25024	1.7
727.26672	100.0
728.26904	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	727.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02310	0.6
55.01745	0.8
57.03319	4.9
59.01252	17.4
61.72939	0.6
67.01752	0.9
68.99690	2.0
69.03324	2.3
71.01253	26.0
71.04881	0.8
71.90124	0.7
72.99175	8.3
73.02807	2.6
74.35184	0.7
75.00747	18.7
83.01237	1.2
85.02824	26.1
87.00750	9.9
89.02317	5.1
91.03883	1.2
93.03359	1.0
95.01263	6.7
97.02805	1.0
99.00763	12.7
101.02328	1.7
103.00243	2.0
108.02079	5.6
109.02844	7.2
111.00738	0.9
111.08039	2.6
113.02334	27.6
115.00254	3.0
117.01805	2.1
119.04932	1.7
129.01811	1.6
131.03365	1.0
135.04404	1.3
152.01064	7.1
153.01851	6.9
157.01303	1.1
163.03938	1.6
165.12762	19.5
166.13196	0.7
175.02403	2.0
183.13838	51.2
184.14159	3.2
205.07114	1.2
207.04982	1.1
209.11719	2.4
227.12901	5.2
231.05020	0.9
249.06166	8.5
267.07205	18.7
268.07605	0.7
301.16629	1.0
311.40094	0.7
315.07019	2.4
415.19708	7.3
459.18335	1.1
477.19843	2.3
503.18951	1.8
510.65811	0.9
528.38055	0.8
547.18402	2.5
551.23383	9.4
552.23505	1.4
572.25647	0.7
609.91510	0.7
665.26624	1.6
709.25482	2.5
727.26514	100.0
728.26843	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	727.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30145	1.2
53.39625	1.1
57.03308	3.2
59.00997	1.5
59.01252	16.7
69.42686	6.8
69.43092	3.5
71.01253	26.7
72.99192	7.1
73.02799	2.3
75.00748	16.5
77.61233	1.1
85.02824	23.1
87.00736	10.9
89.02309	6.9
95.01239	5.4
96.95880	4.1
99.00757	11.8
101.02278	1.3
103.00255	1.6
111.08024	1.5
113.02338	27.6
115.00252	4.5
116.92767	1.7
117.01798	3.1
129.01854	1.6
131.03427	2.1
131.74445	1.2
133.01346	3.2
134.03613	1.4
149.02371	1.4
150.02606	1.1
161.05673	1.2
165.12773	13.7
173.68794	1.2
175.02386	3.0
179.03410	1.8
183.13826	40.2
184.14127	2.7
205.06958	1.7
209.11781	2.0
227.12833	3.6
249.06093	6.9
267.07214	23.8
269.04498	1.5
302.26956	1.5
326.20847	1.2
415.19824	9.9
459.18759	2.3
477.19760	2.3
531.36523	1.5
551.23395	7.5
665.26703	1.4
727.26587	100.0
728.26813	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	727.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.0
57.03318	3.6
59.01254	23.0
69.03310	1.1
69.71749	0.9
71.01265	27.6
71.01642	1.2
72.99189	8.5
73.02808	2.6
75.00746	14.2
80.25690	0.8
83.01255	2.2
85.02827	25.3
87.00307	0.9
87.00745	5.0
89.02325	8.2
95.01292	4.4
96.95917	4.3
97.02788	1.1
99.00764	10.3
99.12769	0.7
99.92448	4.6
101.02329	9.6
111.00715	1.1
113.02338	22.4
115.00284	2.1
116.92756	48.0
117.01852	1.3
117.92747	3.0
119.03394	2.7
121.10095	1.0
129.01794	1.4
131.03389	1.4
139.00272	0.9
166.02620	0.9
167.10696	4.0
174.85583	0.8
175.02405	1.7
179.05481	1.2
217.96404	0.9
226.12955	0.9
249.06166	6.5
267.07220	2.6
271.02521	1.0
297.47684	0.8
300.02930	1.5
316.02228	2.5
317.02948	2.1
338.11298	1.0
417.17514	2.1
477.19794	2.1
479.08255	1.2
497.07513	1.1
504.80771	1.1
521.09277	4.1
665.70532	1.0
709.26288	2.2
727.26697	100.0
728.27039	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	727.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34103	0.9
54.22005	0.8
55.01760	1.6
57.03318	4.0
58.00445	1.1
59.01255	21.6
59.48733	0.8
67.01771	1.3
68.99705	1.5
69.03335	1.8
71.01259	37.6
71.57410	1.5
72.99174	9.2
73.02817	7.7
75.00748	18.0
81.03303	1.0
83.01261	5.1
85.02345	1.7
85.02826	24.3
87.00750	8.7
89.02326	7.0
93.03334	1.0
95.01266	4.4
97.02834	1.1
99.00770	12.0
101.02337	12.5
103.00247	1.4
105.93746	0.9
113.02335	19.5
115.00298	1.7
117.01820	2.6
119.04875	1.3
125.02355	1.5
129.01810	2.1
131.03401	1.9
151.00299	2.1
152.01111	0.9
161.04480	6.5
167.10730	5.5
175.02364	1.5
191.05531	2.6
226.99588	1.0
243.02933	1.0
249.06152	9.1
267.07227	2.2
272.03189	3.9
272.27533	1.0
417.17776	2.3
477.19611	1.4
493.97440	1.0
557.75159	1.0
709.24841	1.6
727.26648	100.0
728.26862	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	727.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22635	0.8
57.03313	1.3
59.01258	20.9
61.98690	1.8
71.00894	1.3
71.01254	16.5
71.57779	0.9
71.58144	1.0
72.99162	3.5
73.02814	2.2
75.00726	3.7
78.95765	1.9
81.03310	1.0
83.01241	2.3
85.02831	8.3
87.00737	3.3
89.02323	9.6
91.01768	3.3
93.03326	2.6
95.01269	1.8
96.95906	4.4
99.00732	3.2
101.02327	6.9
108.02050	1.2
109.02818	1.9
113.02322	8.1
116.08594	0.8
116.92715	0.9
117.03329	1.0
119.01289	8.7
119.03380	2.3
119.04900	1.3
121.02858	9.9
122.03611	1.2
123.04359	1.6
125.02321	1.9
132.02017	1.0
134.03587	2.8
135.04401	2.6
136.01576	0.9
137.02351	1.6
147.00800	5.7
147.04399	3.4
149.02354	42.3
150.03058	3.1
151.00301	1.3
151.03893	1.8
152.00995	2.3
159.04453	2.1
160.01515	2.2
160.05135	3.0
161.02252	1.0
161.04442	1.2
161.05943	2.0
162.03108	1.4
163.03960	6.4
164.04710	30.2
165.01883	4.1
165.05348	2.9
171.10156	2.4
172.05167	1.1
173.05934	1.7
175.00302	42.7
175.03856	3.3
175.07480	1.4
176.01006	7.2
177.01741	1.5
177.05463	2.3
178.02489	0.8
178.06180	1.0
179.05574	1.8
179.07004	3.3
180.07413	1.2
185.11668	1.4
189.01862	1.7
189.05499	2.4
190.02654	100.0
190.06216	3.1
191.03358	10.7
191.06989	1.5
192.04259	1.0
193.01378	1.8
193.05000	2.0
197.11760	1.2
201.11177	1.1
203.07071	1.1
205.05014	89.3
206.05594	8.1
207.02962	1.6
208.03799	4.0
209.04449	2.3
209.11732	3.2
221.08163	7.0
223.06078	51.4
224.06357	1.8
235.05975	1.0
237.07570	2.8
249.06105	1.9
250.04745	2.6
251.05583	1.3
265.04376	1.4
265.07156	25.1
266.07437	1.4
267.07217	4.4
268.07315	1.2
295.08203	6.2
296.10635	1.2
299.01913	1.0
311.12823	1.6
315.14789	1.1
325.09265	11.6
327.21640	2.4
328.22015	2.6
329.13849	2.5
329.22989	2.0
337.09396	1.2
341.13870	5.0
367.10056	2.9
385.11292	3.0
477.30331	1.1
489.17206	2.6
562.86060	0.9
712.23309	1.2
726.38153	1.5
727.25781	54.1
727.36810	8.1
728.25952	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	727.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81183	0.5
56.21828	0.5
58.05691	0.5
59.01255	2.7
65.00209	0.7
68.42126	0.6
68.99709	0.6
69.30801	4.2
69.31207	1.1
71.01256	4.1
73.02830	1.1
83.01284	0.5
85.02823	1.5
87.00771	0.9
91.01759	1.3
93.03349	1.6
93.59390	0.5
95.01299	0.6
95.40610	0.5
96.95935	0.7
101.02323	1.3
102.05869	0.5
109.02860	1.2
113.02338	1.3
119.01270	5.3
119.04937	0.7
121.02858	6.5
122.03635	0.8
123.00775	0.8
123.04440	0.6
124.01550	0.9
125.02233	0.6
127.70255	0.5
129.27255	0.5
134.03624	1.4
135.04420	1.9
136.01587	0.6
136.05177	0.9
137.02347	1.1
137.05986	0.9
143.04880	0.6
146.03514	0.5
147.00789	4.3
147.04422	2.3
149.02351	18.4
149.03564	0.9
150.03143	6.8
151.03932	0.6
152.01013	0.9
158.03624	2.6
158.71452	0.5
159.04424	9.2
160.05209	25.4
161.05981	8.6
162.03137	1.0
163.03905	6.3
164.04707	21.5
165.01842	1.5
165.05312	0.7
171.10127	0.7
173.05991	3.2
175.00285	28.6
175.07558	21.1
176.00798	1.6
176.04576	0.7
176.07841	0.9
177.02016	0.6
177.05501	6.2
178.06281	7.3
179.07019	4.7
181.69981	0.6
189.01865	0.8
190.02647	82.3
191.03230	5.3
192.07852	0.9
193.01440	0.7
193.08591	2.5
205.05008	81.4
206.05342	3.7
207.06660	0.7
208.03737	2.2
209.04465	1.4
221.08032	0.7
223.06076	19.5
224.06464	0.7
233.04312	0.5
236.74095	0.5
247.06107	0.9
253.09183	1.5
255.32884	0.6
278.15326	0.5
287.22336	1.1
299.12875	0.5
315.12219	3.8
329.13943	36.6
329.22809	1.2
330.14322	3.7
341.14032	1.1
345.13525	0.9
352.07993	1.6
353.08875	0.5
359.14969	0.9
367.10318	100.0
368.10678	6.9
431.26514	1.2
442.90717	0.6
449.27457	2.2
491.28711	1.5
697.25018	16.2
698.25598	2.8
727.26019	23.4
728.26312	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	727.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38229	0.7
59.01254	3.9
69.70298	2.5
69.70731	2.5
71.01256	5.6
73.02855	1.1
75.00708	0.7
80.11375	0.7
83.34446	0.6
85.02842	2.2
87.00758	0.7
89.02325	0.9
89.24469	0.6
89.27013	0.6
89.34180	0.6
89.50639	0.9
91.01811	2.1
93.03365	1.1
101.02362	2.2
109.02849	0.9
113.02383	2.3
118.35107	0.7
119.01283	6.3
119.04926	0.7
121.02857	6.4
122.03651	1.0
123.00839	1.0
134.03677	1.6
135.04489	1.2
137.02393	1.0
145.02888	0.9
147.00812	3.6
147.04449	2.3
149.02351	17.9
150.03140	5.3
151.03912	1.1
151.27225	0.7
158.03693	3.1
159.04401	8.5
160.01576	1.0
160.05209	24.1
161.04601	1.4
161.06017	7.6
162.03134	1.1
163.03928	6.9
164.04701	20.1
165.01909	1.7
165.05397	0.9
169.04915	0.7
173.05975	3.9
174.98779	1.6
175.00290	31.9
175.03957	1.1
175.07561	20.1
175.08997	1.4
176.00986	2.4
176.04665	0.8
177.05484	6.1
178.06264	6.6
179.07031	4.8
181.04921	0.8
185.30443	0.8
189.01910	1.2
190.02641	72.7
191.03091	5.1
192.07916	1.2
193.01459	1.1
193.08643	2.1
205.05005	81.7
206.05376	4.8
208.03754	1.4
209.04608	1.2
223.06058	18.3
224.06387	1.2
247.06114	1.6
253.09225	1.6
315.12482	3.3
326.22025	0.8
329.13931	40.0
329.23309	1.4
330.14301	3.5
337.05450	1.2
337.09262	1.1
345.13208	4.2
352.08118	1.7
367.10327	100.0
368.10669	10.3
369.11069	0.8
415.14691	0.9
431.26398	2.0
449.27490	2.0
491.28781	1.2
503.09253	0.9
712.24500	1.0
727.25897	34.1
727.36005	1.9
728.26361	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	727.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.5
61.94906	0.8
61.98696	1.8
71.01259	14.3
72.99183	1.8
73.02813	2.2
75.00746	3.8
78.95812	1.2
83.01281	1.6
83.04907	1.0
85.02823	5.9
87.00751	3.4
89.02303	4.5
91.01787	1.1
93.03340	1.6
95.01287	1.7
96.95889	2.3
98.83160	0.8
99.00758	2.0
101.02341	4.0
108.02083	1.0
109.02832	1.3
113.02348	6.0
119.01294	5.1
119.03461	0.9
119.04886	1.4
121.02841	5.8
121.06627	0.8
121.42675	0.8
122.03646	1.9
123.00732	1.1
123.04437	1.0
125.02353	1.4
131.03383	1.4
132.02110	1.3
134.03650	5.8
135.04408	2.3
137.02351	1.4
139.16365	0.9
143.75061	0.9
145.02971	0.8
147.00775	4.5
147.04465	3.2
149.02357	16.3
150.03140	7.1
151.03922	1.9
152.99492	1.0
153.01820	1.7
158.03627	3.0
159.04424	8.0
160.01599	5.6
160.05214	24.0
161.02419	1.1
161.05984	7.2
162.03125	1.3
163.03880	7.5
164.04706	16.2
165.01865	2.6
165.05444	1.2
167.03432	1.6
171.10143	2.4
173.05968	2.3
175.00294	27.8
175.03922	7.1
175.07576	21.6
176.00986	2.6
176.04672	1.4
177.05489	6.8
177.09084	1.1
178.06270	4.6
179.03355	1.0
179.05737	1.1
179.07088	4.1
190.02647	70.2
191.03339	4.6
193.05017	3.6
193.08594	2.1
205.05013	74.9
206.05466	2.8
208.03706	2.3
209.04514	1.3
209.11699	1.2
211.13416	1.1
223.06102	18.7
224.06334	1.1
229.14380	1.3
235.06073	1.1
247.08240	1.8
249.06125	2.7
267.07278	2.0
285.91992	1.1
315.12231	1.7
327.21780	2.9
328.21979	3.4
329.13931	40.1
329.22455	2.0
330.14377	2.5
337.09387	1.6
345.13480	4.9
359.14923	0.9
367.10349	100.0
368.10538	8.0
502.20728	1.1
565.20697	2.8
726.36725	1.8
727.26007	26.3
727.36920	11.9
728.25977	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	727.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.7
57.03307	2.2
58.00471	2.0
59.01254	43.3
60.37651	0.9
65.38272	1.1
68.99670	1.2
69.03326	2.2
71.01254	31.0
72.01559	1.2
72.99156	3.2
73.02834	5.1
81.03320	2.9
83.01242	3.6
84.53030	1.1
85.02830	15.2
87.00771	2.4
88.98656	2.5
89.02325	10.5
89.84563	1.1
93.03311	1.5
95.01286	6.0
96.95872	1.1
99.00763	2.4
101.02325	11.5
107.04891	1.0
108.02058	86.8
109.02851	51.0
109.03606	2.3
110.03122	1.0
113.02322	10.2
119.03373	2.2
119.04971	1.3
121.02816	3.7
123.00756	3.4
125.02296	2.6
133.02876	1.1
134.03638	2.6
135.04388	2.9
137.02322	1.5
143.03358	1.4
150.03249	1.5
151.00276	1.3
151.03917	2.8
152.01062	100.0
153.01857	39.7
160.01617	1.3
161.04453	2.3
161.13242	2.5
163.03928	3.0
165.01834	3.2
175.03717	1.1
181.04927	1.1
182.02148	1.2
187.11229	4.5
193.05074	1.5
205.12286	2.5
225.04024	1.4
249.11157	1.5
253.09244	1.1
271.08133	1.1
315.07205	25.9
327.21844	5.6
328.22009	3.8
329.22443	2.9
337.09216	1.3
433.11432	1.2
503.19217	19.9
504.19293	2.0
529.16498	1.6
547.18176	43.4
548.18469	6.3
666.37347	1.9
667.39178	7.4
685.40021	3.5
709.23322	1.3
727.24493	91.3
728.24738	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	725.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25215	1.2
51.40157	0.9
55.01754	1.5
57.03304	1.2
59.01254	10.5
59.06058	0.9
61.98695	1.0
66.70335	0.9
69.03316	1.0
69.56624	2.7
69.57048	5.1
71.01251	7.3
73.02821	2.1
83.01281	1.5
85.02850	1.5
89.02338	4.6
95.04913	0.9
97.02824	1.0
97.06475	3.2
100.39679	0.9
101.02346	5.2
113.02321	2.6
119.03374	1.4
132.47832	1.1
137.02336	1.4
151.11191	15.6
152.11461	1.3
155.99446	1.0
158.95340	0.9
161.04573	1.1
169.12271	100.0
170.12547	4.7
171.10150	1.7
195.10201	1.6
195.13788	3.7
197.11801	2.6
209.11801	1.4
211.13251	1.2
213.11313	15.1
214.11586	1.3
223.13397	1.8
235.08281	1.4
252.62677	1.1
253.09184	4.7
275.20041	1.7
280.23584	1.7
293.21262	13.8
294.21457	1.8
309.20816	1.5
431.19180	3.4
448.77026	1.2
449.20325	8.0
450.20569	1.2
653.30865	1.1
725.41187	86.8
726.41699	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	725.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92655	0.9
56.30341	0.8
59.01227	2.5
61.98685	2.9
70.00512	4.9
71.01244	1.7
74.80976	0.8
75.00710	0.9
76.02857	0.8
78.95779	100.0
78.98426	1.4
79.95577	1.9
80.96392	10.9
88.50649	0.9
94.97945	2.7
96.96835	20.4
115.78812	0.9
125.09602	1.9
127.11136	2.8
152.98323	1.6
152.99496	21.5
154.12129	1.1
157.05479	0.8
164.98497	1.5
171.00554	1.3
171.10190	70.5
172.10458	3.9
176.83723	0.8
183.13875	1.2
209.11743	8.1
223.00066	7.7
225.00636	3.4
227.12773	1.8
241.01152	30.5
242.01454	1.3
255.23268	56.4
256.23584	4.8
259.02145	3.2
277.21484	1.6
279.23422	2.2
293.21039	2.7
295.22760	2.5
297.03741	2.1
307.09637	1.1
368.89041	1.1
391.22556	10.0
401.84354	1.0
469.14716	2.6
553.27600	6.0
571.27991	1.6
693.39081	1.4
725.38702	95.6
726.39020	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	725.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.2
57.03316	4.0
58.00473	1.9
59.00950	2.2
59.01254	44.1
61.98689	3.6
68.99715	1.1
69.03320	2.1
71.01256	40.4
71.57484	1.6
72.99174	9.3
73.02823	4.7
75.00750	16.7
78.95770	1.2
83.01264	3.4
83.04926	1.8
85.02825	28.8
87.00758	10.1
87.89944	1.0
89.02319	23.6
93.03329	1.0
95.01247	5.7
96.95880	1.7
97.02825	2.2
97.06472	2.8
99.00755	12.6
101.02326	17.5
109.02808	1.4
111.00797	2.9
111.04361	1.9
113.02333	24.3
115.00276	2.5
115.03927	1.1
116.92745	1.6
119.03420	5.2
119.04906	2.4
121.02851	3.1
122.66938	1.0
125.02364	2.7
127.11159	1.6
129.01826	1.4
131.03410	1.5
132.02136	1.7
134.03638	4.7
137.02254	1.1
137.09607	2.1
143.03419	1.4
147.00754	1.1
149.02339	2.1
149.04453	1.0
151.03830	1.5
160.01566	6.4
161.02422	1.3
161.04514	2.9
163.03897	2.4
164.04697	2.2
166.09293	1.0
171.10199	19.2
172.10457	1.2
173.04555	1.2
175.00276	3.6
175.02483	2.0
175.03935	7.8
179.05511	3.0
180.04213	1.0
183.13852	1.7
190.02637	11.7
191.03316	1.4
191.05510	1.2
193.04996	4.7
201.11282	2.1
205.04980	10.5
209.11774	3.9
211.13368	8.6
221.11894	1.8
223.06114	3.3
225.11343	1.2
229.14409	5.6
235.08081	1.4
239.12831	1.4
249.06076	5.8
267.07217	4.8
282.08826	1.0
291.19714	1.8
294.09128	1.3
295.22842	10.7
297.07712	1.0
297.24515	3.1
300.02795	1.1
309.07800	2.7
312.10059	1.0
313.23831	6.7
315.14453	1.7
324.10452	1.2
327.12350	4.1
327.21756	71.3
328.22189	6.4
337.09271	1.9
339.12155	1.5
367.10367	10.4
397.13309	1.5
415.14603	17.9
475.29141	7.6
488.84262	1.2
549.29517	1.2
591.87085	1.1
665.49725	2.4
683.39020	1.8
693.31604	1.1
707.35590	2.2
710.22186	1.2
725.25189	4.9
725.36047	100.0
726.25031	1.8
726.36481	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	725.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08289	5.2
55.79770	4.5
56.64061	4.7
59.01254	100.0
61.98686	9.1
69.03338	6.0
71.01266	9.2
71.59941	5.1
78.95796	12.7
83.02386	8.0
87.00779	8.9
89.02323	12.4
99.00798	6.0
113.02318	9.7
121.02864	5.8
125.02293	6.1
133.66187	5.6
151.00291	23.6
163.07610	5.5
171.10159	8.7
178.99767	20.1
209.11794	45.1
211.13342	47.5
218.94620	5.9
227.12755	10.0
228.91156	6.4
253.09361	9.0
255.03131	9.9
259.50049	6.7
271.02478	7.9
285.04065	6.1
291.19839	9.6
299.01883	7.6
300.02927	11.7
360.16556	6.1
447.22296	6.6
526.05975	6.1
593.23932	30.1
725.26770	8.4
725.36469	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	725.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21988	0.3
55.01759	0.4
57.03332	2.3
58.00463	0.6
59.01252	13.4
61.98701	0.5
67.30775	0.3
69.03329	1.1
69.47086	3.0
71.01257	11.1
71.04902	0.5
72.99194	1.1
73.02827	1.8
75.00742	0.9
77.90101	0.4
81.03327	0.6
83.01253	0.8
83.04881	0.8
84.02045	0.5
85.02825	7.5
87.00756	1.7
88.98659	0.8
89.02319	6.9
93.03333	0.4
95.01295	0.7
95.04904	0.4
96.95884	1.1
97.02835	1.0
97.06474	2.7
99.00750	1.3
101.02335	5.8
111.00703	0.4
111.87527	0.4
113.02325	4.0
119.03401	2.0
119.04928	0.7
123.08092	0.5
125.02337	1.7
125.09615	1.0
127.11172	1.2
131.03346	0.5
134.03625	1.1
137.09644	1.4
139.04056	0.4
139.34233	0.5
143.03436	0.8
149.02342	0.5
155.10701	1.0
155.14322	0.5
160.01561	0.6
161.04457	1.2
163.03918	0.7
165.12796	0.4
167.14343	0.7
171.10196	13.1
172.10562	0.5
175.02521	0.6
175.03967	1.4
177.12889	0.4
178.02655	0.5
179.05528	1.9
183.13855	2.7
185.11734	1.0
191.05492	0.5
193.04997	1.6
201.11200	1.5
203.10774	0.6
209.11794	1.8
211.13353	13.8
212.13393	0.4
221.06601	1.0
221.11783	2.4
229.14429	10.7
230.14705	0.6
233.06787	0.4
235.08229	1.5
239.12874	1.5
253.09386	0.7
273.18463	0.4
288.41473	0.4
291.19678	3.1
299.01953	0.7
309.20679	1.1
327.21768	100.0
328.09076	0.5
328.22150	9.1
328.25940	0.4
355.72812	0.4
397.13474	2.1
415.14569	23.2
416.14941	1.4
515.19904	0.5
665.37408	1.3
683.38318	0.8
725.35925	4.8
726.36993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16370	0.4
59.01250	4.1
61.98706	0.7
63.02271	1.0
65.00214	1.4
68.41881	0.4
71.01250	0.6
71.58292	0.6
73.16041	0.4
77.55975	0.4
78.95790	0.8
83.01266	1.1
91.01747	0.5
93.03336	0.4
96.95873	0.4
107.01286	2.8
108.02075	1.9
109.02852	1.5
121.02853	1.9
135.00761	1.0
137.02402	0.5
145.02913	0.5
148.01591	1.2
151.00281	11.0
152.00551	0.5
152.99614	0.5
161.00439	0.4
163.00301	2.5
164.01012	1.0
169.01321	1.3
169.34326	0.4
171.10185	0.6
178.33369	0.4
178.99796	6.1
183.04324	0.6
192.00554	0.5
197.11812	1.8
199.03990	1.2
201.02032	0.5
203.03503	0.6
209.11786	1.3
211.03932	1.7
211.13379	2.5
212.13687	0.6
213.14839	0.8
214.02617	0.4
215.03442	1.3
216.04222	0.7
223.13409	0.5
226.02681	1.9
227.03439	4.1
228.04097	0.4
229.05005	0.9
235.08131	0.5
241.14471	1.7
243.02989	12.6
244.03590	0.7
245.04527	1.0
253.09241	0.5
254.02246	2.4
255.02974	29.3
256.03381	1.7
271.02490	65.9
272.02975	5.7
273.04059	0.9
283.02423	1.3
284.03033	0.4
291.19586	0.7
293.21387	0.6
299.02087	4.1
300.02756	100.0
301.03470	41.7
302.03806	3.4
309.20621	2.0
343.04599	0.6
433.07855	0.7
515.04144	0.5
593.23914	0.8
725.28168	47.7
726.28638	11.5
729.04248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	8.8
61.98695	1.8
65.00175	3.8
70.45476	4.8
71.01238	2.8
78.02225	1.5
78.95749	3.0
80.96368	2.0
87.00739	1.9
89.02302	2.3
93.03320	2.4
95.98783	1.3
97.02826	1.7
101.02303	2.4
103.51746	1.4
104.08601	1.3
107.01266	4.0
109.02816	3.1
121.02833	11.9
125.02302	2.0
133.02853	1.8
135.00830	2.0
136.01494	3.9
137.02321	2.4
138.11481	1.3
139.03842	3.0
149.02301	4.6
151.00284	8.4
152.99422	1.6
153.01817	1.4
161.02380	3.7
163.00269	8.8
163.07552	4.6
164.01027	3.0
165.01848	2.7
171.10089	1.7
172.05208	1.4
174.03058	1.5
175.00301	5.8
176.01086	3.0
178.99754	5.4
187.07603	2.8
189.01846	2.0
189.98975	4.2
203.03476	2.1
209.11736	3.6
211.13322	5.6
223.13239	4.1
227.03461	2.9
229.04951	1.7
229.86514	1.5
231.06572	11.6
239.03468	1.6
241.04893	2.3
243.02972	1.8
255.02818	1.7
256.03690	2.7
257.04385	2.2
259.06085	4.1
267.02966	1.8
271.02393	7.1
283.02466	3.1
284.03082	3.4
285.04037	2.3
285.14905	1.6
295.02289	1.8
299.02032	7.4
300.02576	8.1
301.03397	3.2
311.01868	2.3
312.02740	8.3
313.03555	29.6
313.06927	1.1
314.04211	6.5
325.03516	4.3
329.13876	3.4
340.02289	2.7
341.02991	1.5
353.06534	3.8
355.11603	2.8
371.81754	1.5
373.12790	11.9
374.13327	2.4
381.05536	1.7
381.09824	15.7
382.10306	5.9
399.21680	2.9
409.09146	1.4
421.13309	1.6
443.20532	4.3
471.20010	1.6
505.15054	2.1
523.16083	11.8
524.16626	9.8
559.67133	1.6
575.22809	2.8
592.23157	8.1
593.23956	100.0
594.24353	21.1
725.27954	63.9
725.40784	1.7
726.28229	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	725.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.4
61.98689	0.6
63.02285	0.6
64.42627	0.6
65.00203	1.1
66.98465	0.5
70.12629	2.3
71.01242	0.7
78.95749	0.5
83.01302	1.3
83.24232	0.5
84.03577	0.5
91.05402	0.5
102.18701	0.5
107.01282	3.7
108.02065	1.9
109.02866	1.8
121.02853	2.2
123.00763	0.5
124.01514	0.7
135.78226	0.5
148.01604	1.3
151.00276	12.2
151.01506	0.6
153.01834	0.5
153.73372	0.5
159.04437	0.8
163.00304	2.3
164.01030	0.6
168.56013	0.5
169.01353	1.5
178.99797	7.0
192.00481	0.7
197.11745	1.1
199.03970	1.8
201.01923	0.6
203.03534	0.9
211.03967	1.6
211.13324	1.5
215.03424	0.9
216.04201	0.7
226.02632	1.9
227.03400	4.2
228.04231	0.6
229.01387	0.6
229.05101	1.1
229.61681	0.5
234.19041	0.5
241.14389	2.8
243.02950	14.1
244.03421	1.3
245.04491	1.5
253.09315	0.6
254.02141	3.1
255.02966	35.3
256.03326	2.3
271.02493	73.9
272.02942	6.0
283.02527	0.7
291.19748	0.7
293.21024	0.7
295.59259	0.6
299.02005	7.4
300.02753	100.0
301.03473	41.3
302.03964	2.5
303.76169	0.6
309.20831	2.6
432.07098	1.9
433.07819	0.8
593.23682	2.2
725.28131	52.2
726.28619	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	725.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	1.1
59.01253	6.1
61.98697	1.5
63.02272	1.5
65.00177	4.6
69.46325	9.5
71.01257	2.0
78.95786	1.5
80.96369	1.2
83.01249	1.8
84.78592	1.1
89.02279	1.1
93.03333	2.1
93.50642	1.1
97.02764	1.0
98.40250	1.0
107.01270	3.1
109.02826	3.0
121.02850	14.0
124.01522	1.7
125.02345	1.2
136.01538	3.0
137.02324	2.3
139.03909	2.6
145.06412	1.2
148.01483	1.7
149.02361	7.2
151.00311	5.5
152.01035	1.8
159.04402	1.6
161.02420	2.4
163.00285	11.3
163.07535	2.2
164.01010	3.5
165.01794	1.9
171.10234	1.6
175.00360	4.9
176.01071	1.5
177.01855	1.2
178.99786	4.3
181.01273	1.1
184.75096	1.0
187.03902	1.5
187.07507	3.0
189.99001	5.5
190.99774	1.6
203.03391	3.2
209.11703	3.5
211.13312	2.9
215.03368	3.0
217.04930	1.5
218.30661	1.1
227.03407	1.5
228.04262	2.0
229.01364	1.4
231.06595	11.0
232.07056	1.2
239.03297	1.4
240.04285	1.4
241.05052	3.5
243.02879	1.1
255.02963	1.7
256.03702	3.5
257.04495	2.2
259.06006	2.5
267.03067	2.7
269.04501	2.4
271.02423	4.8
283.02393	2.5
284.03085	2.7
285.03940	4.5
291.19772	2.5
295.02399	1.4
299.01941	4.7
300.02771	5.6
301.03458	3.2
311.02045	1.1
311.12976	1.1
312.02750	10.6
313.03546	28.8
314.04294	8.7
325.03430	2.2
329.13776	3.7
340.02090	2.8
341.02905	2.1
353.06567	3.4
355.11795	1.9
373.12897	11.7
374.13605	3.0
374.25687	1.2
381.09842	14.8
382.10324	4.0
383.11145	1.4
397.13339	1.6
399.21854	2.1
401.12247	1.4
443.20551	4.6
471.20453	1.3
477.15585	1.6
495.16470	2.1
505.15189	1.5
523.16083	7.9
524.16833	6.8
575.22589	4.2
579.22290	1.2
592.23621	6.3
593.23920	100.0
594.24213	21.8
598.70642	1.4
635.24963	2.7
725.28027	69.7
726.28308	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	725.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71500	1.2
57.03319	3.1
59.01246	17.2
63.93921	1.5
68.99676	1.4
69.03313	2.4
69.40185	7.0
69.40609	5.1
71.01255	19.5
71.56753	1.2
72.99172	8.8
73.02822	3.8
74.76689	1.3
75.00754	12.5
83.01282	2.0
85.02822	18.7
87.00764	9.3
89.02330	4.6
93.03315	1.8
95.01253	5.4
95.04892	1.7
96.95866	2.4
99.00761	10.0
101.02348	1.5
103.00229	2.1
113.02336	19.7
115.00240	3.4
116.12994	1.4
117.01844	2.6
129.01868	2.2
163.11194	6.2
175.02461	1.5
181.12280	17.3
190.50981	1.2
191.05524	2.3
225.11275	12.9
249.05942	7.7
267.07251	13.4
413.18094	5.1
475.18130	2.2
549.21930	8.2
663.25031	2.2
707.23621	3.3
725.25122	100.0
726.25330	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	725.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00112	0.7
53.74892	0.9
56.86584	0.9
57.03323	1.3
58.00466	0.8
58.60721	0.9
59.01259	11.4
69.03339	0.9
71.01256	12.6
71.57829	1.2
71.58181	1.0
72.98708	0.7
72.99165	1.6
73.02822	2.0
75.00761	2.8
78.95792	1.0
82.95556	0.8
83.01266	1.6
85.02831	8.7
87.00777	1.4
89.02325	5.6
91.01781	2.9
92.26219	0.8
93.03342	2.7
95.01288	1.5
96.95912	3.8
97.02852	1.1
97.06494	1.3
99.00773	2.3
101.02346	5.9
108.02016	1.2
109.02845	1.2
113.02364	4.6
119.01285	6.5
119.04938	1.4
121.02846	6.7
122.03683	0.8
123.00784	1.0
125.02343	1.7
132.98596	0.9
133.02815	0.8
134.03653	3.0
135.04474	2.0
136.01570	46.3
137.02350	2.0
137.95659	0.8
143.03346	1.6
147.00763	4.7
147.04480	1.0
149.02365	16.3
150.03004	1.2
151.03922	45.7
152.00987	0.9
159.04399	1.1
160.05206	1.1
161.02304	1.3
162.03207	1.6
163.03963	4.3
163.07544	0.8
164.04723	12.4
165.01828	2.4
165.05206	1.0
171.10165	4.8
175.00304	33.9
175.03975	3.0
176.00865	1.7
176.04614	1.2
177.01877	1.3
177.05385	1.1
179.07085	2.6
181.04935	0.9
190.02650	84.2
191.03123	4.6
191.07034	1.3
193.05035	1.5
205.05017	87.3
206.05298	4.3
208.03679	1.5
209.04520	1.3
209.11618	1.8
211.13394	2.0
223.06082	18.4
224.06476	1.0
229.14351	2.0
232.03661	1.0
247.06140	1.8
249.06142	1.3
255.03146	1.2
265.07361	1.4
267.06958	1.1
275.14975	1.7
283.02463	1.5
294.08899	1.1
295.08130	1.0
309.07828	1.0
311.01889	4.1
312.02600	1.2
312.10059	1.4
313.03268	1.1
327.12515	6.3
327.21759	20.7
337.11362	1.2
339.12204	1.3
343.11826	7.8
352.08328	1.1
357.13458	16.6
358.13913	1.4
367.10349	100.0
368.10709	8.0
397.13263	1.1
413.21057	0.9
415.14590	4.1
475.28830	1.1
533.29327	4.0
725.24280	26.6
725.36359	6.3
726.24127	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	725.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.3
57.03331	3.0
58.00472	0.9
59.01257	26.8
64.38761	0.3
68.99706	0.5
69.03335	1.1
71.01260	24.4
71.56560	0.4
72.85778	0.3
72.99193	3.9
73.02826	9.3
74.03188	0.3
75.00754	17.7
81.03334	0.5
82.83630	0.3
83.01270	3.9
85.02830	21.5
86.03172	0.6
87.00761	7.5
87.04401	0.8
87.14330	0.3
89.02325	9.6
95.01273	2.8
97.02815	1.5
99.00768	7.0
99.01418	0.4
99.04377	0.6
101.02328	14.0
102.02630	0.3
103.00205	0.7
103.03914	0.5
109.02845	0.3
111.00768	0.8
112.01568	1.0
113.02343	23.7
114.02660	1.0
115.00268	2.4
115.03889	0.6
117.01849	1.7
117.05449	1.0
119.03389	3.3
122.54235	0.3
125.02341	1.2
129.01830	1.1
131.03421	0.9
133.01315	0.8
133.04982	1.9
135.06548	6.6
139.03864	0.3
143.03404	1.5
145.01334	0.6
149.04520	0.7
157.01332	0.9
159.02882	0.9
161.04497	4.4
173.04478	0.5
175.02396	1.3
177.07675	0.7
179.05524	1.3
201.07637	1.6
207.08727	3.6
215.19252	0.3
221.06670	1.0
249.06201	1.4
265.09393	0.6
267.07333	0.5
279.10880	11.2
280.11148	0.4
297.11902	8.2
297.14584	0.6
298.12451	0.6
323.09985	0.8
339.12970	28.0
340.13269	1.3
341.10931	2.4
365.10953	0.4
383.11969	100.0
384.12335	7.2
397.13641	0.4
504.51276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1938
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.71796	0.7
53.72276	0.7
54.00193	0.6
59.01249	1.4
69.48972	1.8
69.49393	3.7
79.78475	0.6
90.87778	0.6
93.03353	1.2
107.01254	1.2
114.73874	0.7
117.03303	1.4
130.58174	0.7
151.00235	1.4
161.42615	0.7
170.81831	0.7
183.04425	2.9
191.05557	4.3
211.04033	3.3
227.03484	12.8
228.03630	0.8
255.02977	65.4
256.03497	4.4
257.04648	0.9
283.02475	100.0
284.03226	49.1
285.03958	15.7
286.04422	1.0
326.04327	1.2
387.16660	1.6
399.06967	1.0
446.02444	0.8
446.08578	12.2
447.08942	1.6
473.71368	0.9
532.68213	0.9
545.87170	0.8
563.14063	88.3
564.14392	10.5
605.15527	1.4
725.19122	11.6
726.19891	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	725.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79029	0.8
55.01766	1.9
57.03325	5.6
58.00460	1.2
59.01254	52.8
61.98697	3.2
67.01770	1.3
69.03322	3.3
70.06588	3.8
71.01255	38.1
71.04903	0.9
72.01608	1.1
72.99190	7.3
73.02824	5.2
75.00749	17.4
78.95763	0.9
83.01272	3.1
83.04868	0.8
84.02026	1.4
85.02831	38.5
86.09129	0.9
87.00752	11.7
88.98710	1.2
89.02329	17.7
93.03336	4.5
95.01258	5.1
96.95886	1.6
97.02837	3.3
97.06483	2.3
98.19815	1.1
98.95398	1.0
99.00768	11.7
101.02333	11.5
103.00253	3.8
107.04935	1.1
107.24002	1.0
109.02835	2.2
111.00782	2.7
113.02338	40.8
114.02608	1.0
115.00281	2.6
115.89301	0.9
117.01806	3.4
119.03394	2.6
119.04917	2.5
121.02848	5.7
125.02370	2.6
127.03925	1.1
129.01881	2.1
129.09195	1.1
131.03394	2.7
132.02058	1.5
134.03664	4.5
135.02916	1.0
135.04410	1.5
137.02339	3.5
137.09634	2.3
139.00244	1.1
141.01782	1.2
143.03403	1.7
145.02847	1.6
149.02374	5.7
149.04491	1.3
149.05971	1.6
149.73898	0.9
150.03085	2.3
153.01840	1.1
155.03372	1.0
155.10683	3.1
155.82616	0.9
156.97990	0.9
157.01323	1.7
160.01572	4.6
161.04532	1.3
163.03902	3.8
164.04727	4.5
165.01680	1.0
165.05479	3.9
171.10187	20.6
175.00278	2.2
175.02463	2.1
175.03943	4.5
177.05492	1.4
179.05519	2.4
179.06999	2.1
183.13849	2.3
185.11836	2.0
188.68697	1.0
190.02637	4.9
191.03392	1.8
191.07130	0.9
193.03479	4.4
193.05013	3.5
197.11781	2.5
201.11313	2.0
205.04965	5.9
205.06911	1.8
206.05713	2.6
207.04973	1.0
208.03732	1.6
209.11801	4.9
211.13344	8.3
221.08194	1.9
221.11815	1.8
222.15230	1.0
223.06099	9.0
225.11298	1.5
227.07008	3.6
229.14377	6.9
235.08096	1.5
239.12730	1.8
249.06209	9.6
253.09238	2.2
255.03041	1.5
263.06924	1.1
265.07147	9.9
267.07220	100.0
268.07541	4.9
281.08264	2.1
291.07239	11.4
291.19644	2.4
295.08258	6.1
309.07733	10.0
309.20712	3.4
311.01904	1.2
323.09570	1.1
324.09955	4.1
325.09308	7.5
327.21777	93.2
328.22180	2.1
335.06210	14.8
336.06476	1.4
337.09378	1.1
339.12357	7.9
385.11191	1.7
397.13742	4.7
404.51697	1.1
415.14627	21.0
427.31454	1.0
503.33948	1.8
531.17035	2.5
707.34552	1.2
724.37976	1.2
725.19098	2.2
725.37488	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46332	0.2
53.00849	0.2
55.01761	0.2
58.00479	0.3
59.01254	3.2
65.93316	0.2
69.59729	1.3
71.01258	2.7
72.99171	0.2
73.02822	0.4
78.95789	0.3
80.02568	0.9
81.03342	1.0
83.01265	0.2
83.04903	4.5
84.02052	0.7
85.02834	0.4
87.00768	0.4
89.02322	1.7
95.01254	0.2
95.04901	0.6
97.06475	0.3
101.02333	1.9
109.06470	0.3
111.08048	0.2
113.02344	0.9
119.03397	0.5
125.05975	0.5
135.08044	0.5
152.99409	0.3
161.04474	0.8
163.11198	3.8
164.11501	0.2
165.12778	2.4
171.10155	0.2
179.05508	0.4
181.12306	0.6
191.10728	0.8
199.13219	0.3
207.10226	0.3
209.11778	100.0
210.12126	5.6
210.14197	0.2
211.13341	0.3
227.12851	9.7
228.13184	0.6
233.22707	0.3
235.08159	1.5
253.09258	7.8
254.09770	0.3
259.20667	0.3
275.20151	0.3
277.21722	47.7
278.22101	4.1
293.21106	0.2
308.37994	0.2
312.96280	0.2
415.02383	0.2
445.20685	0.5
461.21045	0.2
533.94659	0.2
564.85046	0.2
723.41962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.2
58.00479	0.2
59.01255	3.3
61.98708	0.2
71.01254	3.1
71.04932	0.2
72.99188	0.3
73.02827	0.6
75.00768	0.2
78.95784	0.6
80.02549	1.1
81.03328	1.2
83.01269	0.6
83.04906	4.3
84.02056	0.6
84.63457	0.2
85.02805	0.9
87.00755	0.7
89.02329	2.4
93.03356	0.3
95.04912	0.6
97.06481	0.4
98.19778	0.5
101.02337	2.6
109.06504	0.4
113.02338	1.2
119.03383	0.7
125.05930	0.5
127.07578	0.3
135.08063	0.7
143.03401	0.3
145.04904	0.3
152.99486	0.7
161.04504	1.3
163.11206	3.6
165.12781	2.3
167.38910	0.2
174.02069	0.2
179.05537	0.6
181.12213	0.5
191.10767	1.1
196.96049	0.2
207.10216	0.5
208.95148	0.2
209.11783	100.0
210.12114	6.0
211.13342	0.2
227.12860	9.3
228.13170	0.8
235.08183	1.8
245.95151	0.2
253.09265	7.6
254.09724	0.3
275.20221	0.4
277.21729	62.7
278.19009	0.3
278.22058	6.0
445.21024	0.5
540.80920	0.2
723.43134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78546	1.9
55.01777	2.7
57.03311	6.3
59.01257	50.5
61.98691	6.5
65.91593	2.2
69.03331	2.4
71.01257	40.1
71.57311	3.4
72.99177	9.4
73.02827	4.5
75.00756	19.4
78.95786	2.5
83.01279	4.5
83.04903	5.5
85.02827	29.4
85.47803	2.0
87.00748	11.7
89.02309	21.4
89.24751	2.5
94.42499	2.1
95.01266	5.6
96.95895	15.0
97.02829	4.4
97.06472	2.5
99.00768	10.6
101.02331	18.4
109.02851	2.3
109.06474	2.6
111.08009	3.0
113.02326	24.8
115.00209	2.6
116.97395	2.1
119.03395	3.7
119.04900	5.5
125.02303	5.2
131.03407	2.3
132.01988	3.1
134.03593	6.2
137.09622	2.3
149.06082	3.0
160.01573	10.3
161.04451	2.8
163.03917	5.1
163.11206	5.7
164.04593	2.5
165.09267	2.6
169.12241	9.8
171.10181	27.1
175.02510	2.7
175.03877	10.9
179.05530	3.5
185.11749	6.0
193.04999	6.2
197.11691	5.0
199.13416	3.4
201.11240	34.6
202.11530	3.1
205.05043	3.7
207.10228	3.3
209.11787	100.0
210.12071	7.5
225.11328	12.7
227.12935	18.9
235.08224	7.6
253.09271	11.5
267.07077	4.2
289.18027	3.6
307.19089	6.5
325.20224	40.0
326.20563	3.6
337.09738	3.5
397.13483	8.0
415.14609	11.2
497.28308	2.6
610.45453	2.5
723.38708	38.0
724.39392	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	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
55.25412	0.5
58.00463	0.5
59.01252	7.1
61.98714	3.6
69.03333	0.7
71.01257	5.1
71.15342	1.0
71.15696	0.7
73.02822	0.7
81.03358	0.9
83.04906	3.2
84.02045	0.6
85.02821	1.6
87.00751	1.1
87.95255	0.4
89.02325	2.6
95.04934	0.8
101.02325	3.7
113.02345	2.6
119.03377	0.8
123.42184	0.4
145.04961	0.6
151.00278	1.1
161.04483	2.2
163.00252	0.5
163.11238	2.7
165.12769	2.3
167.14293	0.6
178.99844	1.0
179.05502	0.6
181.12303	0.8
183.13849	5.6
193.12263	1.8
195.13846	3.5
209.11784	87.6
210.12137	3.7
211.13351	100.0
212.13667	5.3
223.13417	2.2
226.02684	1.2
227.03423	1.0
227.12885	8.7
228.13303	0.6
235.08232	4.5
243.02948	3.9
253.09283	16.5
254.02269	1.3
254.09709	1.0
255.02997	4.4
256.13156	0.6
271.02472	16.9
272.02933	2.1
275.20206	3.7
277.18570	1.2
277.21735	47.9
278.22083	4.5
293.21237	50.0
294.21548	4.0
299.01816	0.7
300.02759	17.9
301.03415	7.7
447.22394	3.8
463.08990	0.6
487.34442	0.7
655.70801	0.6
723.30249	12.9
724.30408	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	723.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
59.01255	8.2
60.89688	0.4
62.80901	0.4
69.03338	0.6
71.01254	5.1
73.02818	1.1
78.95760	0.7
80.02534	1.0
81.03344	1.4
83.01251	0.9
83.04897	5.7
84.02034	0.7
85.02824	1.4
87.00739	1.0
89.02322	4.3
95.04893	0.7
97.06498	0.4
97.72556	0.4
101.02332	4.0
103.28002	0.4
108.90675	0.4
111.08068	0.5
113.02348	2.4
116.92783	0.6
117.92793	0.6
119.03387	1.0
125.05958	0.5
133.04909	0.5
135.08052	0.9
161.04477	1.9
163.11176	3.4
165.12790	2.9
167.14388	0.4
171.10143	2.0
179.05573	0.7
179.50250	0.3
181.12218	0.4
183.13855	3.8
191.10718	1.1
193.12276	1.4
195.13834	2.5
205.12178	0.5
207.10330	0.4
209.11780	100.0
210.12114	6.2
211.13345	74.4
212.13707	4.7
223.13319	2.3
227.12848	10.1
228.13402	0.7
235.08157	3.2
253.09270	15.9
254.09584	0.6
256.13150	0.4
275.20169	3.4
277.21735	51.1
278.22089	4.4
293.21237	36.3
294.21530	3.4
312.70132	0.5
447.22360	3.0
561.36865	0.4
723.41736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4346
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
51.65220	0.9
59.01256	6.7
60.02137	1.0
61.98703	4.7
68.19740	1.0
71.01268	6.0
73.02814	1.8
78.95784	9.8
83.04908	1.0
85.02811	1.3
85.99902	0.9
87.00766	1.2
89.02334	2.5
101.02314	5.3
108.47375	0.9
111.08078	1.4
113.02343	2.8
114.76026	1.1
152.99481	8.7
161.04517	1.4
163.11198	1.0
165.12762	7.5
183.13841	74.8
184.14165	3.3
209.11768	19.9
210.12061	1.7
211.13406	1.3
211.19510	0.9
225.11290	1.6
227.03139	1.0
227.12849	8.0
235.08199	3.9
253.09262	7.9
253.21770	4.5
255.23431	1.6
277.21738	100.0
278.22101	10.5
279.23026	1.1
293.21405	1.4
363.11978	1.0
437.15802	1.2
445.20944	2.0
455.16544	1.3
463.21918	3.0
487.19635	12.1
488.19885	1.6
647.03558	1.0
723.43164	68.9
724.43530	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	723.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41843	1.7
55.01750	3.6
57.03313	6.0
58.00452	2.2
59.00951	2.7
59.01254	60.8
61.98705	75.5
68.99692	1.9
69.03316	4.6
69.24213	4.7
69.24625	14.8
71.01256	51.1
71.04884	3.3
72.99183	9.5
73.02832	9.0
75.00745	17.1
83.01258	4.7
83.04890	6.1
85.02402	2.5
85.02832	20.2
87.00764	11.8
89.02311	32.2
92.72192	1.8
95.01252	6.0
95.04926	3.0
96.95885	2.9
97.02815	6.1
97.06445	4.6
99.00762	7.2
99.04403	3.2
101.02323	29.7
109.06470	7.8
111.04391	3.0
113.02331	22.8
115.07510	2.6
119.03407	9.8
119.04904	2.2
123.04355	2.1
125.02335	7.5
125.09619	5.4
127.07504	4.2
127.11194	1.6
131.03429	2.0
132.02071	4.5
134.03648	14.3
135.02814	1.8
135.08040	6.2
137.02245	3.7
139.07552	1.9
143.03398	3.7
147.04349	1.8
149.02318	2.0
149.04549	2.0
149.05925	2.8
151.00272	2.5
153.09117	18.4
160.01584	19.2
161.02267	4.8
161.04465	4.9
163.03888	2.0
163.11136	5.0
169.12172	2.7
171.10173	32.9
175.02498	2.7
175.03935	22.8
176.04512	2.6
177.12599	1.9
178.09866	4.3
179.05501	5.9
181.12267	4.7
183.13838	2.7
185.11787	6.2
191.05560	2.3
191.07074	2.3
193.04977	10.7
197.11794	21.7
198.12032	1.9
199.13315	2.1
201.11244	2.7
205.05217	1.8
209.11771	62.8
210.12097	3.5
211.13350	10.5
225.11197	2.0
227.12888	2.7
235.06062	2.3
235.08191	5.0
235.13344	2.7
237.14960	3.4
245.19131	1.9
249.05898	2.0
253.09219	4.4
263.07663	1.9
267.07321	3.8
279.19583	2.1
289.18124	14.7
297.20410	2.0
305.08780	2.1
307.19141	85.7
308.19409	5.3
325.20209	100.0
326.20538	7.8
367.10373	1.9
397.13455	36.0
398.13669	2.5
408.80017	1.8
415.09085	2.7
415.14587	41.9
416.15076	2.3
524.27997	2.1
556.71991	2.0
705.33661	16.6
723.32574	25.7
724.31097	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	723.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48613	1.1
55.01751	2.7
57.03330	2.5
58.00465	2.6
59.01253	40.6
61.98716	1.6
62.19710	1.1
69.03305	2.6
69.31222	8.2
69.31634	2.7
71.01255	37.9
71.04887	2.6
72.99187	3.4
73.02829	5.8
75.00746	5.4
80.02558	1.7
81.03323	3.1
82.67328	1.1
83.01254	3.9
83.04900	4.4
85.02827	8.9
87.00746	6.9
87.04323	1.3
89.02319	31.6
95.01242	3.8
95.04906	2.3
96.95897	2.3
97.02816	5.7
97.06469	2.4
97.80744	1.0
99.00756	4.2
99.04423	2.4
101.02329	21.9
109.02797	1.4
109.06480	7.9
111.04459	1.5
113.02337	14.1
119.03394	8.6
123.04333	1.3
123.08028	1.4
125.02323	7.2
125.09617	5.6
127.07529	3.6
131.03366	2.5
135.04475	1.3
135.08018	3.4
143.03368	4.3
149.05872	1.2
151.11218	1.8
153.09119	18.5
155.10645	1.7
161.04460	5.0
163.04022	1.3
163.07558	1.2
163.11192	4.6
165.12729	1.8
169.12234	2.1
171.10184	25.8
175.72728	1.1
178.02676	1.5
178.09904	2.7
179.05502	4.8
181.12256	2.6
183.13887	1.4
185.11765	5.1
191.10638	2.8
191.14366	1.5
193.12184	1.3
197.11790	21.6
209.11771	52.3
210.12106	2.4
211.13322	6.9
221.06555	2.4
227.12859	2.5
235.08130	5.3
235.13365	3.3
236.10443	1.5
237.14935	1.3
238.12048	1.4
245.19067	3.5
249.18578	2.6
253.09276	1.7
279.19589	2.1
289.18069	11.3
297.20593	3.3
300.02756	1.5
307.19144	76.6
308.19449	5.6
310.39606	1.2
323.09589	1.7
325.20197	100.0
326.20499	8.8
363.16437	1.2
397.13489	29.8
398.13611	1.8
415.14569	43.3
416.14734	2.0
499.88638	1.4
515.09857	1.5
543.24255	3.5
636.26404	2.9
663.35938	4.5
681.37140	3.7
705.33289	16.3
706.32880	1.9
723.33911	19.7
724.32953	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	723.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.0
57.03322	5.2
59.01254	37.0
61.98706	43.3
66.37946	1.2
69.03304	2.0
71.01254	32.0
72.99180	10.6
73.02821	3.6
74.02339	2.1
75.00750	17.8
83.01250	3.5
85.02344	2.2
85.02821	24.5
87.00750	8.5
89.02319	13.2
93.03308	1.2
95.01236	6.1
96.95905	1.4
97.02827	1.7
99.00764	13.0
101.02314	11.3
103.00252	3.1
109.06499	2.3
111.00754	1.8
112.95937	1.2
113.02327	25.6
115.00254	3.1
117.01822	1.7
117.03350	1.3
119.03362	3.8
121.02824	1.6
125.02321	2.0
129.01877	2.5
134.03645	2.5
145.02863	2.0
160.03929	1.7
171.10226	9.3
171.70660	1.4
175.02495	2.3
175.03958	2.3
179.05582	1.8
193.04976	3.6
197.11772	6.1
205.11882	1.3
209.11761	3.3
211.13371	1.7
214.18964	1.3
229.44232	1.4
237.14967	1.8
249.06177	7.4
249.18608	2.2
267.07135	3.9
267.19644	12.7
275.16617	2.7
289.18033	1.6
293.17593	11.6
293.20917	2.6
294.17810	1.8
301.03418	1.7
307.19144	2.0
311.19110	1.5
311.22205	5.9
325.20230	31.9
326.20633	2.6
346.98315	1.5
397.13403	4.8
415.14651	8.5
455.26038	1.8
473.27545	7.2
543.24316	2.8
543.31818	2.2
561.25476	3.1
676.12494	1.5
705.32922	1.6
723.32965	100.0
724.32867	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	723.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.7
59.01252	6.8
63.02279	1.6
65.00198	1.4
71.01265	3.1
71.34704	1.3
73.02828	0.8
74.11227	0.6
78.95793	0.8
80.02584	1.0
81.03353	0.8
83.01277	1.9
83.04900	4.2
84.02067	0.9
85.02818	0.8
89.02321	2.5
91.01797	0.8
93.67597	0.6
101.02330	2.7
107.01275	3.5
108.02068	1.6
109.02838	1.6
113.02325	2.2
121.02866	1.7
125.02347	1.0
135.00728	1.1
148.01553	1.5
150.82552	0.6
151.00294	10.9
153.01849	0.9
161.02376	0.6
161.04558	1.1
163.00278	2.7
163.11263	2.9
164.01088	0.7
165.12758	2.4
169.01337	1.4
171.10133	0.8
174.03186	0.6
178.99802	6.0
183.13795	3.0
187.03853	1.0
188.04744	0.8
190.99753	0.8
191.10626	0.7
195.13846	2.4
198.03178	1.1
199.03920	1.7
201.05435	0.6
203.03445	1.1
208.10434	0.7
209.11783	90.7
210.12134	3.5
211.03918	1.5
211.13345	41.2
212.13707	1.7
215.03453	1.4
223.13371	1.4
226.02676	6.7
227.03432	6.7
227.12836	8.9
235.08211	2.2
243.02985	20.2
244.03369	2.0
245.04512	1.3
253.09294	11.8
254.02213	6.5
255.02989	27.8
256.03366	1.5
271.02490	100.0
272.02924	8.9
273.03787	1.0
275.20053	2.8
277.21738	43.7
278.21951	2.0
283.02454	1.0
289.52908	0.6
293.21271	24.9
294.21640	1.3
299.02029	2.2
300.02765	95.8
301.03479	38.7
302.03915	2.7
343.04666	0.7
356.01950	0.6
420.56427	0.8
447.22369	1.6
463.08725	2.3
651.21332	0.7
691.35077	0.6
723.30243	83.5
724.30573	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	723.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86302	0.6
52.62659	0.5
59.01234	3.1
63.58086	0.6
65.00201	1.5
71.01266	2.6
73.02837	0.9
73.70023	0.6
83.01275	1.8
83.04893	1.8
84.02023	0.7
89.02345	1.2
93.72921	0.6
101.02347	1.9
107.01282	2.8
108.02092	1.2
109.02844	1.5
113.02369	0.7
119.03387	0.7
120.97760	0.6
121.02849	1.5
123.72752	0.6
135.00797	1.4
148.01604	1.5
151.00294	9.7
152.99460	0.8
159.32248	0.6
161.04454	0.7
163.00323	2.7
163.11200	2.3
165.12799	0.9
169.01408	1.5
178.99779	5.0
187.03934	0.8
199.03925	2.4
199.13271	1.0
201.01996	0.7
209.11787	50.4
210.12102	1.3
211.03926	1.5
211.13396	4.7
215.03510	1.6
216.04306	1.1
226.02690	6.0
227.03506	4.6
227.12837	9.0
235.08136	2.1
243.02988	21.0
244.03413	1.9
245.04713	0.8
247.05190	0.7
253.09308	5.2
254.02138	5.4
255.02974	26.7
256.03357	2.3
267.56558	0.7
271.02496	93.0
272.02869	8.8
273.03946	0.9
277.21744	51.6
278.22150	3.1
293.21237	1.9
299.01898	1.5
300.02771	100.0
301.03467	33.5
302.03876	1.8
345.16605	0.7
423.41718	0.6
463.08807	5.1
588.65082	0.9
723.30292	72.9
724.30664	18.0
739.85614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.2
71.01259	7.1
73.02821	2.0
77.81887	1.2
78.95774	2.2
83.01235	1.1
83.04914	1.9
85.02839	1.9
89.02319	5.4
95.01268	2.4
95.04890	5.5
97.02840	4.1
101.02342	5.3
109.06471	10.2
110.03614	3.2
111.04373	1.5
113.02355	4.3
115.03922	1.4
125.09620	1.2
135.08139	1.3
145.04993	1.3
145.91768	1.0
161.04521	3.0
161.09665	1.9
163.11205	10.4
179.10724	1.4
181.12230	2.7
189.09138	4.6
207.10225	36.5
208.10559	2.2
209.11876	3.0
225.11282	100.0
226.11694	3.1
228.38812	1.2
235.08186	6.4
253.09233	11.2
255.23206	1.6
264.98199	1.2
277.21725	62.2
278.22064	4.3
294.21451	1.1
380.73682	1.1
443.19482	6.7
461.20294	15.5
473.43231	1.2
672.31805	1.4
721.41754	11.2
722.42230	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	723.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.5
59.01253	21.0
61.98680	4.0
65.00185	1.1
69.30085	4.1
69.30506	7.9
71.01260	10.9
76.84131	1.2
78.95789	6.5
83.01244	1.6
85.02849	2.7
87.00756	2.5
89.02326	10.3
97.02811	2.2
101.02337	8.0
103.69070	1.3
107.01253	2.9
107.01913	1.3
109.02817	2.1
113.02306	2.8
119.03394	1.7
121.02828	2.4
125.02335	6.2
130.05450	1.1
148.01541	2.6
151.00258	9.0
152.99455	3.0
161.04399	1.4
163.00330	2.5
171.10144	2.6
178.99721	4.9
179.05540	1.4
183.13817	3.0
186.82492	1.2
195.10130	3.9
195.13727	1.6
199.03915	1.8
201.02075	1.4
209.11731	5.0
211.03979	1.7
211.13338	37.3
212.13727	1.4
215.03496	1.4
223.13133	1.1
226.02744	1.6
227.03439	13.7
227.34097	1.1
235.08170	5.6
243.02983	12.9
250.58463	1.2
253.09267	6.9
254.02104	1.4
255.02974	39.2
256.03412	2.3
271.02493	63.4
272.02936	5.2
273.03860	1.2
275.20001	2.6
277.21750	15.7
278.22064	9.0
279.22269	1.8
283.02411	1.8
284.03220	7.7
285.04019	4.6
289.07141	1.5
291.19681	1.9
293.21268	23.2
299.01886	2.8
300.02756	100.0
301.03494	37.1
301.69614	1.2
309.20593	2.8
397.13492	12.4
398.13800	9.5
399.13931	5.4
415.14407	4.5
416.14883	3.3
447.21851	2.2
625.18896	2.9
705.25482	1.7
723.26740	51.1
724.27203	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	721.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10273	1.1
55.01763	1.7
57.03331	3.9
58.00467	1.7
59.01253	46.6
61.98706	9.9
63.23227	1.0
67.99475	1.0
68.99696	1.8
69.03333	2.8
69.48486	9.0
71.01257	41.8
72.99190	4.5
73.02822	5.7
75.00742	1.9
77.82664	1.0
77.88287	0.9
78.06114	0.9
78.95797	3.2
79.95605	1.3
80.91586	1.6
80.96398	1.7
81.03345	2.1
83.01279	3.0
83.04926	1.7
83.69125	1.1
85.02827	8.9
87.00748	9.7
89.02320	33.8
95.01262	2.5
97.02832	7.4
97.06477	2.1
99.00773	6.2
101.02329	34.5
102.02689	1.4
107.04882	1.7
109.06490	4.6
111.08099	1.5
113.02339	15.0
118.16422	1.0
119.03403	11.1
120.03750	1.5
121.02802	1.5
125.02342	11.2
125.09617	4.1
131.03383	1.7
133.04913	1.5
134.03667	1.1
143.03407	4.1
161.04462	6.9
163.11215	6.5
165.12794	7.8
167.03343	1.2
171.10184	9.3
179.05577	5.8
181.12306	5.4
183.13847	31.0
184.14175	2.2
191.10707	1.0
197.11826	2.8
199.13356	1.5
207.10233	12.2
208.10652	1.3
209.11839	6.4
209.13506	1.1
211.13438	5.5
212.13766	1.2
213.14825	1.1
216.32921	1.0
217.15981	1.1
221.06635	2.6
221.11707	1.9
225.11288	12.9
227.12831	4.7
235.08205	12.9
239.12782	1.9
243.12434	1.6
245.06664	1.5
247.20795	1.6
253.09283	7.2
255.23332	1.6
262.32843	1.4
263.07642	2.0
271.02676	1.1
273.18570	1.9
287.07663	2.3
291.19696	33.8
292.19748	1.8
305.08823	2.6
308.20111	3.2
323.22272	100.0
324.22672	8.8
391.25171	1.6
397.13510	53.8
398.08484	1.2
398.13528	5.2
415.14606	35.7
416.14920	1.7
461.20416	2.5
463.21979	2.9
617.31775	2.5
671.32513	5.9
672.33728	1.4
689.33490	2.4
721.32489	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	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.2
58.00462	2.6
59.01258	52.3
61.98707	10.7
69.03343	4.5
71.01259	38.5
73.02834	6.8
78.95783	9.3
80.96406	6.0
81.03296	2.3
83.01271	4.1
85.02833	9.0
87.00772	11.3
89.02326	33.1
97.02863	4.7
98.20540	8.1
99.00751	5.2
101.02329	37.3
113.02335	17.6
119.03397	9.7
124.71535	2.8
125.02342	12.9
143.03442	5.0
152.99501	3.4
161.04462	6.9
163.11250	5.3
168.76042	2.6
174.01593	5.4
179.05568	4.5
193.36366	2.7
209.11783	64.6
211.13339	20.8
221.06628	2.6
235.08211	17.3
237.48933	2.6
253.09329	11.7
255.02995	3.3
263.20178	78.7
264.20404	5.1
275.20108	3.4
284.03204	4.4
285.04037	2.9
287.07773	3.8
291.19672	11.8
293.21323	24.5
305.08716	3.7
309.20560	3.1
340.33542	2.7
397.13513	100.0
398.13885	6.0
415.14609	37.5
625.23639	2.6
721.29950	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	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21650	1.2
55.01776	1.2
57.03322	2.0
59.01252	15.9
60.20373	1.1
61.98711	6.1
67.36607	1.2
69.03337	2.3
69.49349	1.1
70.86985	2.1
70.87325	1.8
71.01254	16.4
71.04895	5.4
72.99196	3.1
73.02823	3.4
75.00752	4.0
80.02579	1.5
80.96389	1.3
81.03335	2.7
83.01263	2.7
83.04903	7.7
84.02025	1.2
85.02836	5.7
87.00755	4.2
89.02321	5.4
89.49168	1.2
91.29985	1.2
95.04903	1.7
96.95864	1.7
97.02846	6.0
97.06476	2.0
99.00765	18.1
101.02325	8.9
107.04884	1.4
109.06499	3.1
111.02316	1.5
113.02344	6.7
115.23026	1.4
115.39395	1.3
119.03443	1.4
125.02334	2.0
125.09626	8.5
129.01855	2.3
135.08052	1.5
137.02338	1.6
142.02620	1.6
153.12862	1.6
160.32109	1.2
161.04512	2.8
163.03925	1.4
163.11203	13.0
165.12785	3.0
171.10181	4.4
181.12271	18.0
183.13773	1.2
185.11671	2.0
193.05052	1.4
197.11812	3.7
199.13345	24.5
207.10220	37.1
208.10645	1.8
209.11783	76.1
210.12149	5.4
211.13353	1.5
213.53705	1.4
223.10890	1.8
225.11287	68.8
226.11595	2.3
227.12878	13.0
235.08252	2.7
243.12355	18.3
244.12535	1.6
253.09241	5.8
310.11691	1.4
461.20349	8.4
479.21381	4.3
653.31738	3.5
658.32178	1.9
671.33081	6.0
672.32538	1.7
689.33917	100.0
690.34235	18.8
721.36578	34.3
722.37646	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	719.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96657	1.1
54.55757	1.2
55.98516	1.1
57.03326	5.5
59.01257	15.4
66.79082	1.1
68.99688	1.2
71.01264	28.1
71.05979	2.8
71.06359	2.2
72.87473	1.1
72.99191	6.6
73.02820	2.9
75.00755	38.1
75.53284	1.2
78.95766	3.6
83.01251	3.4
85.02832	34.3
87.00766	11.2
89.02318	5.5
92.42553	1.2
95.01264	3.8
99.00765	12.9
101.02327	3.5
113.02340	34.0
113.03548	1.3
115.00247	3.5
117.01830	1.8
119.03391	2.6
131.03378	1.6
152.99457	1.6
157.01166	1.5
163.23784	1.1
173.04492	4.3
175.02357	5.2
193.03601	1.4
255.23285	5.2
260.81454	1.2
272.16397	1.2
277.21790	19.4
278.22025	2.8
279.23175	1.6
291.23325	2.5
293.63211	1.2
301.29425	1.3
397.15057	1.9
406.15729	1.2
464.94046	1.1
483.27448	4.1
600.22705	2.2
719.36450	100.0
720.36707	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	719.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	100.0
63.87491	1.3
71.37434	2.9
78.95766	3.1
90.30560	1.1
91.03896	2.2
116.18133	1.1
128.71713	1.0
152.99449	2.2
174.16756	1.2
195.13910	1.9
197.11772	3.0
223.13385	9.7
255.23253	5.5
274.71088	1.3
277.21664	6.2
293.21259	21.6
294.21527	2.1
309.20767	11.4
404.10260	1.3
469.46255	1.5
483.27084	3.0
539.31995	1.2
585.41687	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	719.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	100.0
71.34452	1.4
76.24469	0.6
78.95796	1.0
98.67637	0.6
112.98698	0.7
132.49490	0.7
152.99567	1.1
174.01654	2.7
195.13910	0.7
197.90840	0.7
209.11745	1.0
240.95543	0.8
255.23448	1.7
271.83524	0.7
277.21808	1.0
289.18085	4.0
291.19824	2.5
293.21222	8.5
295.22830	4.2
301.96039	0.7
307.19333	0.8
309.20764	6.0
355.91821	0.6
483.27466	1.6
548.10748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.1
58.00453	1.6
59.01252	31.4
61.98704	4.8
67.01777	0.6
68.99693	0.9
69.03334	1.6
71.01257	26.7
72.99189	7.4
73.02819	1.5
75.00305	0.8
75.00744	15.8
83.01282	2.7
83.04892	0.6
85.02825	17.6
87.00750	6.8
87.59841	0.5
89.02319	11.7
93.03338	1.1
95.01261	4.3
96.95890	1.3
97.02797	0.6
99.00753	8.9
101.02320	7.1
103.00247	0.8
107.93037	0.5
109.02882	0.6
111.00760	0.6
111.04379	0.7
113.02332	17.9
115.00229	1.9
117.01829	1.7
119.03400	2.6
119.04926	0.7
119.08566	0.9
120.01120	0.6
125.02345	1.5
125.09666	0.8
128.59732	0.6
129.01790	1.0
135.04314	0.9
135.08269	0.6
139.00334	0.6
149.02348	0.7
149.04462	0.6
151.03935	1.2
157.01311	1.3
169.08585	0.9
171.10159	2.5
175.02393	2.3
179.03294	0.7
181.08612	2.1
199.09668	2.9
209.11708	1.2
211.13335	1.6
219.78131	0.6
223.13396	1.1
226.04620	0.5
231.05235	0.6
238.96651	0.6
247.28137	0.5
249.06120	5.5
265.18124	1.9
267.07083	1.5
267.11353	0.6
273.18533	1.2
291.19702	5.6
309.20667	0.9
360.86035	0.6
471.26111	2.4
471.32840	0.6
494.65518	0.6
703.31592	2.4
721.32867	100.0
722.33258	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	717.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60708	1.3
55.71758	1.2
57.03323	2.2
59.01254	14.1
60.58386	1.2
61.98710	4.0
69.03329	2.1
69.92803	1.3
71.01254	10.7
71.04910	2.6
72.99174	1.9
73.02833	2.7
75.00755	3.8
75.43673	1.1
76.24064	1.1
83.01243	2.0
83.04906	1.3
85.02837	6.8
87.00767	3.2
89.02325	3.1
93.03367	1.3
96.95870	1.6
99.00784	3.5
101.02332	3.4
107.01279	1.6
108.02077	1.6
109.02848	2.5
111.04408	1.3
113.02345	5.3
117.03362	4.0
119.04926	56.1
120.05242	1.5
121.02859	4.1
123.00758	1.5
125.02332	2.0
134.03662	2.4
135.04405	2.1
135.08046	2.7
136.01541	2.7
137.02348	3.9
140.00897	1.2
145.02858	9.3
147.00725	1.5
147.04417	5.1
148.05040	1.3
149.02368	4.1
150.03137	4.0
151.00264	2.6
151.02481	1.2
151.03911	3.1
152.00989	1.5
152.30220	1.5
159.04411	5.5
160.05211	4.5
161.06012	6.9
163.03941	50.5
164.04666	5.7
165.01842	6.8
165.05464	1.8
173.06006	4.8
174.01616	1.5
175.00310	4.4
175.02444	2.2
175.03848	2.2
175.07617	4.4
176.01074	1.8
176.04607	1.5
177.05469	8.4
178.06364	1.5
180.04204	3.4
183.04480	3.7
189.05508	1.5
190.02701	13.6
191.03391	3.1
193.05013	2.7
195.06607	6.4
205.05037	15.9
207.02899	1.4
208.03671	1.8
209.11818	5.8
211.13390	4.7
213.05623	1.5
214.06287	5.2
215.07040	3.9
221.08141	3.2
223.06012	2.5
225.07718	2.9
227.03448	5.6
227.07054	1.9
229.08696	6.2
229.25952	1.6
241.05052	4.8
242.02104	1.8
242.05774	7.3
243.06601	9.6
244.07362	1.4
245.08199	1.8
255.02994	15.3
255.06657	2.0
256.07343	2.6
257.08176	21.8
258.08948	11.7
269.08176	1.8
270.01700	2.4
270.08948	1.7
271.02502	4.8
271.09656	1.9
272.10547	11.0
283.02527	36.0
284.02945	5.4
284.10422	2.2
285.03867	1.7
285.11404	2.2
288.06549	1.6
290.07971	18.1
296.10492	1.4
297.11197	1.9
299.01920	3.6
300.02756	2.3
304.09540	23.9
305.09937	1.7
329.16080	3.8
353.08734	2.3
357.13571	1.9
367.10358	17.5
419.15015	2.3
420.15976	1.7
431.06116	4.6
435.14490	2.1
449.16202	2.7
480.17944	2.5
531.15076	17.6
532.15503	2.5
641.23572	1.6
657.27014	16.4
673.23987	3.6
687.28107	37.2
688.28717	7.7
717.29150	100.0
718.29321	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	717.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26742	1.1
52.40171	0.9
54.30537	0.9
58.00467	1.8
59.01255	45.4
62.99123	0.8
67.01757	0.9
70.81945	2.2
70.82315	2.3
71.01257	37.0
72.99191	2.5
73.02834	2.4
73.94118	0.9
83.01276	1.1
85.02825	8.6
87.00726	1.2
89.02319	34.3
93.03352	1.9
98.20522	1.2
101.02318	4.6
111.04411	1.8
113.02338	3.3
119.08557	37.6
131.03418	2.9
163.07573	15.7
173.04460	1.8
181.08661	1.9
183.10181	1.1
191.05600	2.9
244.50194	1.0
301.12814	1.2
313.12921	37.0
314.13214	2.5
331.13971	100.0
332.14328	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	719.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.5
56.19781	1.1
57.03320	5.6
58.00444	1.9
59.01255	53.7
61.98710	12.2
64.80744	1.1
67.01758	2.4
68.99686	3.7
69.03349	1.8
69.23180	2.7
69.23591	11.3
71.01257	40.0
72.99187	11.4
73.02817	3.8
75.00750	20.5
78.01279	1.0
78.95784	3.6
80.96386	4.8
83.01270	8.9
85.02825	32.9
85.71081	1.2
87.00751	9.8
89.01820	1.9
89.02322	21.8
95.01268	9.2
97.02834	3.1
98.19767	3.0
99.00768	19.8
101.02329	18.4
103.00300	1.3
111.00767	11.0
112.01620	1.6
112.98730	1.3
113.02335	38.4
115.00301	1.6
119.03396	8.4
125.02324	1.6
129.01851	2.5
131.03362	1.5
139.00243	5.8
143.03392	1.7
157.01337	2.5
161.04454	3.4
171.10153	3.3
175.02362	3.0
179.05496	1.9
180.53816	1.2
185.11714	1.5
195.13855	1.2
197.11815	1.3
207.10358	1.6
209.11777	5.4
211.13388	3.8
223.13483	1.4
225.00758	2.7
228.95116	1.2
253.09319	4.7
255.23421	1.5
275.19870	1.4
277.21796	1.7
293.21149	7.7
295.22861	2.4
327.21353	1.5
474.30188	1.3
483.27359	3.8
499.29294	6.5
604.88623	1.4
657.31409	2.7
675.32416	22.1
676.32825	3.0
719.31299	100.0
720.31647	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	717.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94968	2.5
56.17945	2.2
59.00990	3.0
59.01256	36.4
60.77525	2.1
61.98701	5.6
62.82136	2.2
66.34830	2.1
71.01240	2.4
71.57384	3.3
72.51276	2.3
78.95772	5.0
82.43032	2.5
88.65696	2.3
108.55017	2.4
113.46071	2.7
118.09315	3.2
131.17592	2.8
138.71060	3.0
139.59106	2.3
151.87418	2.3
167.10469	2.6
171.10208	3.1
223.13179	4.0
225.87917	2.7
329.32333	2.6
481.11765	5.6
492.99710	3.3
496.13660	6.3
497.14752	10.6
511.16260	100.0
512.16602	13.6
555.15100	5.2
570.17645	72.2
571.18134	36.0
572.18341	3.5
625.19385	13.0
626.19781	4.4
657.22272	26.9
690.32452	3.0
701.35150	2.5
717.24231	87.5
717.44019	3.4
718.24377	26.7
732.79620	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	717.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
61.98726	4.4
71.01257	1.0
71.49792	1.9
73.41550	0.9
76.48257	0.9
94.07921	1.0
138.61366	0.9
141.08524	0.9
192.85309	0.9
197.89899	0.9
209.11818	1.1
218.54860	1.0
236.59811	0.9
255.23332	1.2
389.93188	0.9
452.10995	1.6
453.11636	1.7
457.19009	2.6
478.58148	1.2
481.11673	3.2
495.16446	1.3
496.13947	14.2
497.14554	6.3
509.14157	1.2
510.15253	5.3
511.16214	9.0
512.16296	3.3
513.17523	3.6
514.18646	1.2
523.16992	1.4
538.14813	1.3
539.19458	2.0
544.15857	2.9
551.15991	1.8
567.18781	11.5
568.19092	2.4
570.17224	1.9
571.18280	5.6
572.18304	1.9
589.19159	1.7
597.19769	1.7
598.20465	2.1
599.21619	28.5
600.21790	6.8
602.16565	2.7
625.19623	3.0
630.19891	2.2
631.20709	2.2
643.21466	1.0
657.22089	19.9
657.36334	3.8
658.22241	2.4
717.24219	69.8
718.24506	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	717.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.4
64.48862	1.0
69.56795	7.7
69.57119	1.2
71.01241	3.5
73.02826	1.0
79.95609	4.1
80.96395	3.7
82.24491	1.0
85.02852	2.0
85.03541	0.9
87.00713	1.5
91.05388	0.8
93.03348	6.1
95.01378	0.9
96.95869	1.8
99.00758	1.3
107.64482	1.0
108.02021	1.8
109.02811	1.3
110.02438	0.9
113.02327	1.5
117.03336	1.0
119.04922	6.0
121.02837	9.7
122.03641	11.4
123.00772	1.5
123.04442	2.6
124.01666	0.9
125.02309	1.3
126.69089	1.0
131.38185	0.9
132.02065	1.8
133.02853	8.5
134.03590	4.1
135.04401	2.1
136.01540	1.0
137.02344	4.9
139.03906	5.3
145.02846	4.2
146.03598	1.6
147.00780	1.3
147.04417	12.0
148.05183	2.6
149.02344	25.4
149.03523	1.5
149.06004	5.3
150.03128	100.0
151.03795	4.5
152.00989	0.9
158.03633	3.9
159.04437	6.2
160.01543	2.9
160.05212	15.1
161.02342	1.2
161.06021	7.3
162.03120	1.8
163.03931	12.0
164.04721	14.4
165.05482	98.7
166.05766	5.2
173.04448	3.2
173.05986	5.1
175.03943	5.0
175.07564	19.5
176.04698	4.6
177.05490	11.6
178.06262	4.4
180.04190	7.2
191.03287	1.1
191.07025	1.2
193.04955	2.2
193.08627	3.1
195.06555	52.8
196.06863	2.3
225.00706	2.1
244.08562	0.9
245.35211	0.9
251.80693	1.1
270.09116	1.4
275.14322	0.8
285.11331	1.5
298.12515	0.9
299.12891	1.0
315.12338	2.8
319.08191	2.8
329.13916	42.9
330.14215	3.2
337.09116	1.5
357.17380	1.1
359.14859	1.0
432.15594	1.8
447.18204	7.2
448.18500	1.1
459.17993	2.7
460.18610	1.1
477.19153	74.0
478.19717	8.8
492.66452	1.1
501.14078	1.7
507.20163	7.1
509.77304	1.0
511.18240	1.6
519.58447	1.0
525.21265	51.8
526.21521	8.7
555.22180	8.8
556.22345	1.7
657.18256	1.9
717.21887	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	717.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.6
59.01254	64.3
60.01593	1.3
64.58427	1.1
67.01762	2.5
69.03345	1.7
71.00888	2.1
71.01256	18.6
71.34809	1.2
71.35156	2.3
72.99187	2.7
73.02815	3.0
75.00756	5.0
81.03326	1.9
83.01264	1.3
83.04916	2.5
85.02840	6.2
87.00769	3.8
89.02319	19.9
93.03343	31.9
95.01260	1.9
96.95882	5.8
99.00781	1.4
101.02326	9.1
108.02070	1.1
109.02846	3.3
111.00772	2.5
111.04401	7.2
113.02343	7.6
113.73846	1.0
117.03365	11.0
117.54785	1.0
119.03446	8.0
119.04923	100.0
120.05264	3.2
121.02872	1.5
123.04379	1.7
125.02410	1.7
127.03909	3.8
132.02074	7.7
133.02853	5.4
134.03653	18.6
135.04398	4.6
137.02341	18.7
143.03464	2.2
145.02866	37.3
146.03206	1.7
149.02385	1.1
149.05969	2.9
150.03180	1.3
151.00256	2.8
151.03958	1.6
152.01067	2.0
153.01891	1.6
155.03400	8.0
160.01578	37.9
161.02373	19.1
161.04477	2.6
162.03169	1.8
163.03931	62.4
165.05504	1.9
173.04486	58.1
174.04793	1.4
175.03931	51.1
176.04381	2.5
177.05484	7.6
179.03432	3.2
179.05553	7.8
190.02702	2.3
191.05544	2.1
193.05002	17.4
194.05495	1.5
205.04999	2.6
215.05589	2.0
221.04587	1.6
223.06116	1.4
233.06638	18.4
265.07190	1.7
295.08484	1.4
319.08240	61.4
320.08517	4.3
323.07800	6.4
325.28912	1.2
337.09286	55.5
338.09604	5.3
379.10483	3.0
421.11371	1.3
477.24646	2.0
481.13580	3.7
501.14005	30.2
502.14151	3.3
541.15668	21.5
542.15778	2.3
551.41583	1.4
657.18402	15.7
657.30280	2.4
658.18298	1.2
681.36835	1.8
699.32544	1.8
717.20294	35.9
717.31696	2.1
718.20544	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	717.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64096	0.6
57.08175	0.6
59.01257	100.0
62.36394	0.5
62.82841	0.5
69.60978	2.2
69.61406	2.6
78.95784	1.0
83.06170	0.5
84.17336	0.6
96.38799	0.7
114.91959	0.5
181.24138	0.6
209.11800	2.1
224.78442	0.6
277.21835	0.8
388.92737	0.6
438.09723	1.4
441.15457	0.8
453.11810	2.0
455.16968	1.0
457.19064	1.9
459.16901	2.1
467.13635	1.6
480.14578	1.3
481.11768	2.5
482.12485	0.7
495.17523	1.0
496.13800	15.0
497.14484	9.6
498.15494	1.7
509.14798	1.2
510.15579	3.8
511.16086	8.1
512.16858	3.2
513.17621	4.5
528.13660	1.0
530.14917	0.9
538.15082	0.7
539.19940	3.4
540.19934	0.7
544.15833	5.4
545.16602	2.3
553.17224	0.6
567.19012	11.7
568.19135	2.1
570.17841	2.1
571.18341	10.8
572.18945	2.4
583.18079	1.2
589.19507	2.4
597.20068	2.3
598.20685	3.5
599.21521	34.2
600.21881	6.3
602.16449	3.1
625.19983	1.1
630.19812	1.5
631.20068	1.0
657.22052	17.1
658.22406	4.0
717.24219	57.8
718.24420	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	717.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00479	1.0
59.01252	87.9
65.03835	1.0
67.01764	3.6
69.03300	1.1
71.01254	8.9
71.57285	1.3
72.99168	2.2
73.18503	0.7
74.99495	0.8
79.95602	5.9
80.96399	4.4
81.03304	1.6
83.01267	1.7
83.04900	1.6
85.02820	3.5
87.00751	2.6
89.02322	6.0
93.03333	26.0
101.02325	3.2
108.02060	1.1
109.02814	3.4
109.36020	0.8
111.00752	2.2
111.04417	5.1
113.02331	2.3
117.03350	4.5
119.03461	2.8
119.04919	100.0
120.05244	3.3
121.02832	1.4
125.02346	1.2
127.03912	1.1
132.02054	6.7
133.02824	1.7
134.03630	8.1
135.04391	3.2
137.02347	20.6
138.02629	1.0
145.02859	24.3
146.03496	0.8
147.04402	1.7
149.05925	1.5
150.03152	1.3
151.03894	1.3
152.01027	2.0
155.03407	15.4
160.01567	30.6
161.02379	4.7
161.04523	1.2
161.05960	1.0
162.03120	7.3
163.03925	77.5
164.04271	1.9
164.98509	0.9
165.05348	1.5
173.04489	23.2
173.05974	1.7
174.04814	1.3
175.03931	31.8
175.07498	1.1
176.04320	0.8
177.05502	6.9
178.99812	0.9
179.03421	7.5
179.05556	2.0
180.03659	0.8
193.05003	6.5
195.08192	1.0
205.04976	1.1
215.05562	49.3
216.05870	1.4
225.00754	2.4
233.06516	1.0
243.64415	0.7
319.08191	24.1
320.08405	1.1
323.07602	2.5
329.13947	1.4
337.09265	22.2
338.09610	1.2
359.96899	0.9
367.10507	1.3
489.19553	1.4
501.14026	56.6
502.14575	6.2
511.18222	4.4
657.18250	14.9
658.18384	1.9
675.19128	2.1
685.19659	4.7
687.26587	1.6
717.20258	24.8
718.20428	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	717.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43233	1.2
59.01253	57.0
67.01775	1.8
69.03321	1.8
71.01250	5.9
74.42775	1.4
75.00752	2.1
79.95596	6.3
80.94530	1.3
80.96397	4.3
81.03316	4.2
83.04900	3.2
85.02806	3.2
85.03963	1.3
87.00754	2.2
90.86227	1.3
93.03338	27.1
101.02330	2.0
107.01220	1.5
108.02064	3.2
109.02809	4.3
111.04388	5.6
113.02367	1.7
117.03339	10.4
119.04920	100.0
120.05245	2.4
127.03909	1.9
132.02045	8.3
133.02853	5.9
134.03633	18.1
135.04385	5.1
137.02345	14.2
145.02858	39.7
146.03166	1.8
147.04405	2.0
149.05957	3.2
150.03113	2.5
152.01111	3.0
153.01813	2.6
155.03424	9.1
160.01576	41.0
161.02383	17.3
163.03925	59.4
164.04427	1.7
173.04477	51.0
173.05981	2.6
174.04779	2.4
175.03929	51.6
176.04297	2.4
177.05473	4.6
179.03416	3.1
191.05626	2.9
193.04994	19.7
194.05409	1.4
199.09662	2.5
205.04936	1.3
215.05502	1.4
217.05054	1.9
227.03532	3.3
233.06612	19.1
255.02972	5.6
284.03201	4.8
285.03979	3.8
304.80527	1.4
319.08234	63.9
320.08453	4.6
323.07858	6.6
337.09302	62.0
338.09521	3.9
379.10657	2.9
431.09799	7.0
432.10791	1.8
481.13068	2.6
501.06931	2.5
501.14056	33.9
502.14230	2.3
511.18546	5.0
541.15430	14.7
542.16382	1.9
657.18317	15.9
658.18896	2.2
685.20209	4.6
717.20471	37.6
718.20734	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	717.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	27.5
60.73668	1.1
61.54042	1.1
67.01765	1.9
70.02773	1.2
71.01254	5.7
72.99172	1.9
75.00726	1.0
79.95618	3.3
80.96390	2.6
81.03343	2.3
83.04906	1.7
85.02837	2.4
87.00769	2.5
89.02328	1.8
93.03342	34.0
99.00765	1.7
101.02336	2.0
103.53563	1.1
108.02076	9.6
109.02858	6.9
111.04426	2.8
113.02319	1.5
117.03342	9.4
119.04929	100.0
120.05261	3.6
121.02789	1.3
123.00745	2.8
124.01556	5.2
125.02335	14.9
127.03902	1.9
132.02069	8.4
133.02870	2.7
134.03676	9.3
135.04378	2.4
137.02356	22.9
145.02870	42.8
146.41922	1.1
147.04427	1.6
149.02420	1.0
149.06053	2.7
149.99495	9.8
150.03166	3.0
151.00282	1.5
152.01053	7.6
153.01840	3.2
155.03432	8.2
159.81885	1.3
160.01588	38.1
161.02368	6.6
163.03935	77.3
164.04240	1.8
165.01917	3.0
165.05493	4.7
166.02695	1.6
168.00592	15.4
169.01364	2.0
173.04492	39.2
174.04849	1.8
175.03932	35.6
176.04306	1.7
177.05432	1.4
178.02704	1.1
179.03464	2.4
191.05528	1.7
193.05019	7.2
195.06538	2.7
215.05507	2.8
233.06728	1.5
319.08246	55.5
320.08594	3.3
323.07697	3.4
337.09323	18.4
358.10361	1.4
501.13998	25.9
502.14493	2.2
518.71948	1.2
657.18311	42.5
658.18494	6.5
675.19238	2.7
717.21381	46.0
718.21466	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	715.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22276	3.2
69.66312	3.1
70.91573	7.2
70.91914	4.7
78.95780	24.7
79.53893	3.1
84.89319	3.1
110.98431	23.1
111.08064	4.2
144.21759	3.3
152.78943	3.5
167.01134	6.7
171.10153	5.4
190.27338	3.4
197.11731	22.7
198.70732	3.3
211.13538	4.1
255.23268	100.0
256.23669	8.0
290.13901	4.0
291.19675	30.8
309.20694	62.2
310.21323	5.8
423.25339	8.6
490.66119	3.3
635.33899	3.8
715.45465	50.5
716.45807	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	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40634	0.2
59.01254	3.3
61.98705	100.0
62.98407	0.2
71.01267	0.8
72.99200	0.2
78.95768	0.4
89.02339	0.4
89.03413	0.2
89.18623	0.2
90.50022	0.2
94.29691	0.2
98.20651	0.3
101.02322	0.3
105.51199	0.2
113.02325	0.2
125.02298	0.2
156.19020	0.2
178.54829	0.2
178.56656	0.2
184.77283	0.2
209.11751	0.3
211.13347	0.2
255.23329	0.8
256.23676	0.8
257.24005	0.3
293.21289	0.3
312.53604	0.2
312.81320	0.2
397.13641	0.4
398.14075	0.5
399.14078	0.8
400.14600	0.3
448.13556	0.2
496.13980	0.4
511.16125	0.4
535.40741	0.2
550.78711	0.2
567.19220	0.3
599.21698	1.1
657.22168	0.4
717.24139	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	715.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.6
61.98697	1.1
64.28099	0.7
71.01250	4.4
72.99191	0.6
73.02840	0.5
75.00759	1.1
78.95768	1.0
81.27698	0.5
85.02808	3.0
89.02322	2.5
93.03345	3.2
95.01254	0.8
96.00808	0.6
101.02351	1.4
103.21728	0.6
108.02059	1.6
109.02826	0.7
109.48154	0.6
113.02351	2.6
119.04964	0.7
120.01101	1.0
121.02837	7.1
122.03635	13.8
124.01524	0.7
133.02831	2.0
135.04391	3.4
136.01569	20.1
137.02290	2.2
147.04370	0.7
149.02351	16.1
149.03558	0.8
150.03130	85.7
151.03931	22.1
159.04437	0.6
160.05220	1.2
161.02429	0.9
161.05968	0.8
162.03148	1.5
163.03917	1.2
163.11197	1.7
164.04735	4.0
165.05486	100.0
166.05858	3.2
172.05176	0.8
173.04512	0.8
175.03911	4.2
176.04733	0.8
177.05484	1.7
179.03387	1.0
180.04201	6.6
181.08656	0.5
189.05576	1.4
190.06290	2.8
195.06563	94.4
196.06929	3.4
252.56183	0.6
267.06635	0.5
284.06607	0.6
299.09213	1.5
315.27136	0.6
321.60458	0.6
324.10199	0.7
327.12335	4.7
341.18530	0.6
341.22354	0.7
342.10956	1.3
343.11563	0.8
357.13431	19.5
358.13968	1.1
385.17673	0.6
475.17383	1.9
505.18686	15.9
506.19022	1.8
523.19293	1.0
553.20813	17.5
554.21027	2.3
677.49805	1.0
678.49390	1.1
714.47717	18.1
715.32129	7.6
715.47284	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	6.6
59.01254	11.3
61.98684	2.1
69.03347	2.1
71.01263	9.4
71.57647	1.9
72.99176	3.7
78.95778	1.8
83.01274	1.4
83.04897	1.5
85.02837	4.3
87.00776	2.9
89.02330	3.4
90.85468	1.0
92.65032	1.1
95.01300	1.5
95.04911	1.5
97.02822	2.9
97.06469	19.1
97.19759	1.0
101.02309	6.0
109.06471	1.4
111.08055	2.0
113.02343	3.0
119.03336	1.4
123.08046	9.2
125.09621	100.0
126.09928	4.0
132.10220	1.1
143.10628	1.7
161.04504	2.1
165.12778	2.2
167.14258	2.2
168.32138	1.1
169.08588	3.7
171.10197	13.7
172.10468	1.2
185.11778	1.6
187.09694	56.9
188.10028	2.4
197.11801	10.3
201.11194	1.6
209.11749	5.5
210.14819	1.4
211.13293	8.6
229.14429	3.0
235.08221	2.0
247.20583	1.3
253.09242	5.9
255.23354	1.4
291.19662	9.3
309.20721	13.2
310.21237	1.5
325.20117	2.2
389.91739	1.1
405.17682	7.2
423.18912	10.5
479.29681	1.2
538.71729	1.3
544.01239	1.2
715.39099	94.3
716.38867	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	713.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.8
59.01256	32.8
61.98687	2.6
67.93311	1.2
69.03326	1.6
71.00893	2.5
71.01258	35.0
71.65228	1.3
72.99197	3.1
73.02836	8.8
75.00756	1.4
81.03322	2.9
83.01245	7.1
85.02829	9.6
87.00753	25.2
89.02322	29.1
95.01283	3.1
97.02830	7.1
98.19795	4.8
99.00749	2.6
101.02328	31.2
113.02345	20.6
117.50381	1.3
119.03391	7.8
121.02884	1.4
125.02348	16.5
131.03328	1.5
134.04634	1.6
143.03394	7.0
160.67587	1.4
161.04480	9.2
171.08934	1.4
171.10176	8.0
179.05518	5.8
185.11812	2.0
203.05742	1.7
217.86417	1.4
235.08224	19.7
253.09309	10.8
255.23289	100.0
256.23593	7.1
269.24881	3.9
287.07715	6.3
291.19788	1.6
305.08810	7.8
323.09872	5.2
397.13522	87.2
398.13699	8.5
415.14597	52.6
416.14822	2.7
653.37640	1.4
673.66815	1.6
695.55573	1.6
713.36530	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	715.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06302	1.0
57.03321	2.7
58.00470	4.9
58.79190	1.1
59.01252	95.9
60.01596	1.4
71.01254	67.8
71.23574	1.1
72.01543	1.2
72.99179	6.8
73.02813	2.0
75.00771	2.7
81.10421	1.2
82.10532	1.1
83.01248	2.3
85.02820	12.0
87.00754	8.1
89.02318	100.0
93.03356	2.4
95.01268	5.7
96.95901	1.6
101.02319	34.2
107.04937	2.4
108.02060	3.5
109.02857	1.7
113.02337	31.7
114.02714	1.6
117.03358	3.0
119.03393	43.8
119.04744	1.7
121.02850	4.8
122.03651	1.4
123.00750	1.3
123.04418	1.5
125.02319	2.2
126.79301	1.1
131.03395	4.6
133.02818	3.5
134.03622	3.9
135.04433	6.4
136.01561	31.1
136.04808	1.1
137.02336	2.3
143.03423	5.9
145.02849	10.7
146.03639	3.9
147.04378	1.4
149.02357	2.6
149.04460	3.2
150.03127	4.6
151.03920	26.8
152.01067	1.6
160.01570	4.9
161.02332	8.3
161.04474	6.2
161.05853	1.8
162.03136	58.9
163.03729	4.8
164.04713	3.0
165.05492	8.0
175.03889	5.5
177.05499	45.9
178.05849	2.2
179.05562	16.1
179.07069	2.9
180.04224	3.6
193.05003	1.7
195.06587	7.5
198.69319	1.1
205.04866	1.2
207.06535	1.3
209.73647	1.0
229.30406	1.2
245.95049	1.1
301.03363	1.8
322.43610	1.1
327.12268	2.5
337.09216	3.2
338.09586	1.5
339.09680	1.2
342.11063	1.3
357.13431	8.4
373.12833	2.3
505.18884	1.4
517.18762	6.1
553.20691	2.1
665.53259	1.3
715.32312	3.7
716.27173	1.2
749.13599	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79137	1.2
55.01774	1.6
57.03313	2.8
59.01249	20.4
59.61681	1.1
61.62351	1.2
61.95269	1.1
66.93063	1.1
69.03328	2.9
69.80505	6.8
71.01253	26.5
72.99182	5.4
75.00751	9.3
78.15806	1.0
83.01250	2.8
85.02818	14.8
87.00764	7.3
89.02318	6.6
95.01256	3.7
96.95875	1.6
99.00770	10.2
101.02321	5.6
107.01300	1.8
109.02817	6.1
111.00744	2.0
113.02308	13.5
115.00261	1.6
119.03457	1.4
119.04916	12.4
121.02830	2.5
123.00733	1.6
123.04465	1.4
125.02400	1.8
132.02081	8.6
133.02821	1.5
134.03625	13.7
135.04422	1.6
136.01541	5.1
137.02315	1.5
138.31374	1.3
139.03877	1.2
145.02843	1.4
146.03613	3.6
147.04373	1.7
149.05969	3.1
150.03113	1.5
151.00282	3.4
151.03929	6.5
160.01578	30.7
161.02261	2.8
161.05988	2.4
162.03143	1.9
163.03885	7.8
164.04646	1.9
165.01801	1.3
165.05461	3.1
169.37039	1.2
171.04433	1.5
175.02481	2.2
175.03918	39.0
176.04604	4.2
177.05513	1.6
179.07025	1.8
181.12224	1.4
190.02696	1.3
191.07079	5.0
193.04980	13.5
195.06723	1.6
199.04002	2.2
205.04916	2.0
217.05115	1.2
221.19121	8.9
227.03441	1.4
235.06125	5.0
243.02992	1.9
249.06105	5.2
257.21124	1.4
265.07336	2.5
265.18051	7.2
267.06790	4.5
271.02469	20.0
272.02835	2.3
278.05664	1.3
278.26447	1.2
279.06677	3.4
282.09006	1.8
283.19122	12.3
289.07025	1.3
295.08383	1.8
297.11319	4.6
299.01944	29.1
300.02490	6.5
301.03500	21.6
301.20245	11.1
302.03796	1.6
312.10074	4.4
327.12271	17.6
337.09283	54.3
338.09717	4.1
345.13593	1.5
367.10580	1.6
445.24438	4.5
447.09610	2.2
463.25537	12.8
464.25513	1.7
503.41962	1.3
533.20282	4.4
537.29181	2.1
566.10907	6.0
567.11157	10.7
568.11670	2.3
614.63586	1.3
641.37756	1.3
695.22760	1.6
713.17847	10.9
713.32587	100.0
714.18115	3.6
714.32977	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	713.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.9
59.01257	8.7
61.05184	0.9
69.03317	2.2
71.01257	8.6
72.99168	1.9
73.02808	1.6
75.00763	2.1
79.55718	0.6
83.01279	1.2
85.02838	5.6
87.00784	0.9
88.98698	0.7
89.02339	3.9
92.04887	0.8
93.03337	1.8
95.01265	1.1
99.00747	1.7
101.02347	3.6
108.02055	1.3
109.02840	11.6
113.02333	4.9
118.95452	0.7
119.04921	2.2
120.05232	0.8
121.02834	2.1
123.04451	0.8
125.02357	1.0
132.02061	11.9
133.02895	1.5
134.03636	19.7
135.04417	1.1
136.01570	11.7
136.03893	1.5
137.02330	1.9
145.02852	1.5
146.03603	3.9
147.04434	1.9
148.04893	0.8
149.02367	1.8
149.06000	5.3
150.03116	1.9
151.03923	12.0
152.01028	1.0
160.01576	55.4
160.05191	2.3
161.02086	2.5
161.04474	1.0
161.05978	1.5
163.03912	1.5
164.04619	1.8
165.05505	3.1
171.04408	0.9
175.03931	77.9
176.04593	5.6
177.05507	1.2
178.02678	1.8
179.03470	1.0
179.05618	0.8
179.07065	2.5
189.05481	2.8
190.02612	3.0
190.06264	3.1
191.07051	6.6
193.05017	18.2
194.05244	0.9
195.06647	1.1
205.04977	2.5
217.05017	1.1
223.05980	0.9
229.53452	0.7
251.07312	1.8
261.05603	1.5
264.07986	0.7
267.06671	8.3
268.07004	1.3
277.07266	0.9
278.05798	1.2
279.06741	6.7
280.06937	0.8
282.08990	5.4
293.08130	1.0
294.08929	5.2
295.08334	0.8
297.07883	1.5
297.11209	10.0
309.11456	1.8
312.10028	12.5
315.12433	1.2
315.73975	0.8
322.07047	1.3
327.12375	35.0
328.12808	3.5
329.16162	1.9
331.11731	0.9
337.09290	100.0
338.09622	8.3
345.13165	3.7
357.13446	3.7
375.14407	2.2
463.25562	1.0
489.14191	0.9
533.16705	1.0
551.20917	1.4
593.22266	1.5
683.23010	1.7
696.25128	0.8
713.24414	6.6
713.33545	4.9
714.25208	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	711.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04137	1.7
58.42744	1.7
59.01259	36.4
69.03395	2.2
69.64632	11.8
71.01263	24.7
72.99188	4.2
73.02827	4.1
78.95763	3.2
83.01284	2.2
85.02819	9.7
87.00763	5.3
89.02322	30.0
93.00021	2.0
97.02846	3.4
99.00774	2.1
101.02324	19.0
101.02821	1.7
109.01003	2.1
113.02335	7.6
113.71652	2.1
118.64859	2.0
119.03428	5.7
125.02347	6.1
131.03429	2.2
143.03404	3.5
147.53239	2.0
161.04434	2.4
179.05559	4.3
209.11769	9.7
211.13344	2.7
221.06577	2.7
223.13348	8.0
225.11214	2.4
235.08199	5.0
241.14447	3.7
249.18504	3.3
253.09309	2.6
253.21793	20.4
255.23241	2.3
293.21231	2.2
295.22742	8.6
300.02576	2.7
335.55652	2.1
397.13486	40.3
398.13885	3.2
415.14587	100.0
416.14978	4.6
424.94177	2.1
442.39703	2.0
522.29486	2.9
683.62366	2.3
711.39130	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	713.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03926	0.5
59.01260	3.0
59.01500	0.4
59.64687	0.4
63.02271	0.7
65.00205	2.3
71.01260	2.1
73.02835	1.1
78.95809	0.6
83.01263	1.8
85.02842	1.4
88.98726	0.8
89.02293	1.2
90.41175	0.6
91.01822	0.5
96.95899	1.2
99.00787	0.7
101.02356	1.2
107.01280	4.1
108.02069	0.7
109.02811	0.9
113.02324	1.3
117.03333	0.7
117.81104	0.5
119.04921	1.1
121.02843	1.0
124.01535	1.0
125.02363	1.2
127.15741	0.5
133.02811	1.0
134.03647	1.8
135.04526	1.0
143.04839	1.0
145.02878	2.0
147.00734	0.9
147.04309	0.5
149.02342	0.6
149.99544	0.6
150.03111	1.3
150.06760	0.7
151.00275	12.1
151.01514	0.8
151.03870	0.8
152.01047	0.9
155.04929	1.2
157.02863	0.9
158.03705	1.0
159.04407	1.0
160.01599	1.9
161.02348	2.1
163.03944	1.0
165.01880	1.1
167.04909	0.6
169.01355	1.0
169.02753	0.8
171.04443	2.2
171.10098	0.6
175.03931	2.7
178.99799	3.8
179.03409	1.6
179.10692	0.6
182.03558	0.5
183.04489	2.5
185.02377	1.4
186.03130	1.6
187.03934	1.7
189.01906	1.4
191.07170	0.9
193.05046	1.0
194.05788	1.1
195.06462	0.8
198.03171	1.2
199.03955	8.7
201.01788	1.4
203.03502	0.8
209.11899	0.8
211.04048	0.7
214.02647	3.4
215.03491	3.6
217.01418	0.6
218.02148	0.6
226.02719	0.6
227.03461	7.4
235.06158	0.7
239.03546	0.7
241.01393	17.3
242.02148	7.5
243.02982	17.3
244.03391	0.8
245.00891	9.8
254.02072	0.6
255.02995	11.3
256.03320	1.1
269.04495	1.2
270.01712	27.6
271.02472	36.9
272.02850	2.3
282.01700	0.6
283.02426	0.8
285.04019	1.1
288.75565	0.7
298.01212	10.3
299.01981	100.0
300.02615	18.7
301.03415	7.8
313.00397	0.7
313.03619	3.8
314.04413	0.9
337.09268	1.2
341.02829	1.0
475.08942	1.2
491.09689	2.7
503.08344	83.7
504.08957	29.8
505.09436	3.8
509.10788	2.0
509.34546	0.7
683.15839	0.7
713.17163	1.4
713.36627	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	711.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.4
55.26252	1.4
59.01246	8.5
71.01258	15.8
72.99181	1.8
73.02824	10.4
83.01263	6.0
85.02840	5.1
89.02327	5.7
93.71873	1.5
95.01203	1.6
98.20568	2.8
99.00759	39.0
101.02325	23.0
109.02821	2.5
113.02313	8.6
118.75273	1.3
123.00777	3.5
124.01576	1.5
125.02365	3.2
131.03397	2.4
137.02322	8.1
139.03918	3.1
143.03409	3.3
149.02327	2.5
151.00285	27.9
151.03889	2.0
152.01036	2.2
153.01840	2.0
159.04402	1.9
161.04509	6.4
163.03835	1.5
165.01834	1.4
166.02635	81.1
167.03279	4.6
175.03903	3.8
177.01880	4.0
178.02583	1.5
181.04991	100.0
182.05405	3.5
184.03659	1.3
187.32890	1.4
190.06213	2.3
191.03403	4.5
191.05547	8.2
202.02472	1.5
203.03493	1.9
203.05618	1.3
205.04987	5.0
205.08650	1.7
206.05820	4.2
207.06514	3.2
219.06587	2.1
220.07208	2.3
220.88625	1.4
221.08168	4.3
229.65192	1.4
235.06244	1.5
237.61974	1.4
293.08722	6.2
312.06775	1.8
339.08817	1.8
359.11389	2.3
369.09796	3.2
372.12320	1.8
384.12186	3.2
387.10172	13.0
387.15302	11.8
388.11096	1.7
399.09473	2.3
399.14484	34.4
400.15054	2.9
402.13120	10.4
403.13696	4.1
417.15536	97.7
418.15958	9.2
553.12097	1.3
681.24036	8.9
693.23895	13.1
694.23309	2.4
711.25024	41.7
711.36963	2.9
712.25543	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	711.1421
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.73310	0.4
59.01226	0.6
65.00185	0.5
69.28734	4.5
70.56610	0.3
71.01266	0.7
72.58715	0.4
80.02681	0.4
83.01278	0.4
85.02841	0.5
87.48128	0.4
96.95882	0.6
99.00724	0.5
101.02370	0.6
107.01275	1.4
109.02886	1.1
115.00291	0.5
119.01315	0.4
119.04911	0.5
121.02837	0.9
133.02867	0.6
134.03662	0.4
149.02281	0.4
149.48070	0.4
151.00296	6.5
159.04375	0.4
161.02429	0.4
171.04459	0.7
175.00313	1.1
175.03860	0.6
178.99785	1.5
183.04349	0.5
199.04004	3.3
201.01935	0.6
203.03383	0.8
215.03516	2.1
226.02658	1.2
227.03470	2.5
242.02272	0.9
243.02966	3.3
244.03543	0.5
255.03020	1.9
271.02487	52.8
272.02869	3.7
282.01630	0.5
299.01974	100.0
300.02606	16.4
301.03528	31.1
302.03809	1.9
313.03571	1.2
343.04559	0.9
345.77966	0.4
462.08069	18.7
463.08765	11.7
464.09015	1.1
488.73862	0.4
492.19788	0.4
505.09900	11.0
506.10480	1.6
547.10486	0.4
625.14014	1.3
667.15192	60.9
668.15466	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	711.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.4
55.26252	1.4
59.01246	8.5
71.01258	15.8
72.99181	1.8
73.02824	10.4
83.01263	6.0
85.02840	5.1
89.02327	5.7
93.71873	1.5
95.01203	1.6
98.20568	2.8
99.00759	39.0
101.02325	23.0
109.02821	2.5
113.02313	8.6
118.75273	1.3
123.00777	3.5
124.01576	1.5
125.02365	3.2
131.03397	2.4
137.02322	8.1
139.03918	3.1
143.03409	3.3
149.02327	2.5
151.00285	27.9
151.03889	2.0
152.01036	2.2
153.01840	2.0
159.04402	1.9
161.04509	6.4
163.03835	1.5
165.01834	1.4
166.02635	81.1
167.03279	4.6
175.03903	3.8
177.01880	4.0
178.02583	1.5
181.04991	100.0
182.05405	3.5
184.03659	1.3
187.32890	1.4
190.06213	2.3
191.03403	4.5
191.05547	8.2
202.02472	1.5
203.03493	1.9
203.05618	1.3
205.04987	5.0
205.08650	1.7
206.05820	4.2
207.06514	3.2
219.06587	2.1
220.07208	2.3
220.88625	1.4
221.08168	4.3
229.65192	1.4
235.06244	1.5
237.61974	1.4
293.08722	6.2
312.06775	1.8
339.08817	1.8
359.11389	2.3
369.09796	3.2
372.12320	1.8
384.12186	3.2
387.10172	13.0
387.15302	11.8
388.11096	1.7
399.09473	2.3
399.14484	34.4
400.15054	2.9
402.13120	10.4
403.13696	4.1
417.15536	97.7
418.15958	9.2
553.12097	1.3
681.24036	8.9
693.23895	13.1
694.23309	2.4
711.25024	41.7
711.36963	2.9
712.25543	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	711.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26707	4.1
59.01251	92.3
65.00201	4.7
71.01254	24.4
72.99168	9.0
73.02827	6.3
75.00744	18.3
85.02825	14.4
87.00745	11.6
89.02316	9.1
91.89680	3.8
93.03331	5.7
96.95901	25.9
97.02850	4.5
99.00735	7.6
101.02312	10.7
107.01299	4.9
108.04452	5.1
109.02870	7.1
113.02323	13.7
119.04914	5.1
121.02872	6.4
122.05936	7.7
125.02332	5.9
151.00288	36.1
160.03926	28.3
163.03908	5.2
166.02615	7.8
169.01248	6.4
175.04007	7.5
178.73903	4.2
178.99782	22.4
181.04967	13.4
191.05545	7.1
203.03438	8.7
211.07582	7.3
233.06590	8.4
243.02904	12.9
255.02966	28.4
263.05615	11.7
267.07254	15.1
267.11407	8.3
269.10233	7.9
271.02444	55.0
272.02994	6.6
273.03976	5.7
295.10962	10.3
299.01956	19.0
300.02762	97.2
301.03488	96.2
302.03705	9.3
327.12521	9.6
335.12296	19.5
339.12338	11.7
417.15457	11.6
463.08798	51.8
480.17734	6.5
505.09961	100.0
506.10400	10.9
512.20709	8.4
579.13196	9.7
651.26611	8.9
667.14404	20.8
679.25897	20.0
711.28113	16.9
716.32837	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	711.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52670	0.8
59.01255	3.8
63.02272	2.0
65.00201	4.0
65.20509	0.8
70.35012	3.4
71.01250	3.3
72.99200	0.9
73.02795	0.8
73.26647	0.8
83.01266	2.8
85.02843	2.0
89.02351	1.0
93.03345	0.8
96.59648	0.9
96.95877	1.7
99.00713	1.0
101.02364	1.0
104.22994	0.9
107.01271	10.7
108.02048	1.0
113.02345	1.8
114.01021	0.9
121.02873	7.0
132.28165	0.8
145.02812	1.2
149.02295	1.8
151.00278	40.3
151.75867	1.0
152.00648	1.2
153.01845	1.6
163.00298	2.7
164.01074	1.0
164.04951	0.9
169.01326	3.6
171.04492	0.9
178.99802	16.7
180.00206	1.3
181.04982	0.9
183.04440	2.2
187.03899	1.0
193.01242	1.1
199.03987	2.2
203.03532	2.1
211.03978	1.5
215.03432	1.6
227.03444	5.0
229.05127	1.5
243.02980	10.8
245.04506	2.0
250.46637	1.0
254.02345	1.9
255.03006	24.1
256.03281	2.1
271.02509	47.4
272.02917	4.7
273.04095	2.3
273.12466	0.9
283.02560	1.3
299.02011	20.2
300.02750	94.1
301.03516	100.0
302.03894	7.0
420.35773	1.1
462.08096	2.9
463.08850	43.4
464.09167	4.9
505.09900	97.3
506.10455	12.3
667.15167	22.4
667.25769	1.9
668.15509	3.4
711.27795	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	711.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02896	1.0
59.01242	4.5
60.20731	1.1
60.38401	1.1
65.00196	3.4
71.01250	2.0
71.45109	1.2
83.01266	2.4
85.02833	1.6
87.00764	1.1
89.02340	2.3
93.03311	1.1
96.95898	1.7
98.71092	1.0
99.00755	2.3
100.31150	1.0
101.02314	1.4
101.57281	1.0
107.01257	6.2
107.23423	1.1
109.02815	1.6
113.02322	3.3
119.03376	1.3
120.99906	1.0
121.02841	7.3
148.01672	1.1
150.99139	1.7
151.00293	27.5
163.00362	2.4
164.01175	1.1
166.02650	2.4
167.45776	1.2
169.01352	2.5
178.99786	14.8
181.04941	2.7
243.02890	5.8
254.02150	1.7
255.02980	17.8
271.02505	38.6
272.02893	4.8
273.04111	1.6
283.02496	1.5
299.01691	1.6
300.02762	88.8
301.03510	100.0
302.03848	6.2
341.10776	1.7
351.08264	1.2
455.02588	1.3
463.08893	17.4
464.09247	3.2
489.10117	1.3
505.09930	97.6
506.10165	10.9
637.05536	1.2
667.15155	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.2
59.01252	11.4
61.98693	1.5
62.39950	1.1
66.46581	1.3
69.87251	2.3
69.87681	5.5
71.01267	7.6
73.02841	1.7
74.37559	1.3
78.95789	6.7
80.96396	4.2
89.02332	4.8
94.97984	1.5
97.06471	3.3
101.02334	4.6
113.02338	2.7
116.39547	1.1
133.76613	1.2
144.35741	1.3
146.73892	1.2
151.11197	11.5
152.99541	6.8
161.04474	2.4
169.12268	100.0
170.12634	4.9
175.91414	1.5
195.10127	2.1
201.11284	2.7
209.11829	3.0
211.13513	1.5
213.11273	15.1
235.08139	2.1
253.09261	5.8
255.23320	2.0
277.21741	27.5
278.21994	2.7
306.17294	1.3
417.87115	1.5
431.19324	2.6
449.20218	9.1
677.63959	1.4
691.38995	2.1
709.41626	84.6
710.41858	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35448	1.7
59.01241	3.0
63.96089	2.4
70.23786	3.4
70.24200	6.4
71.01244	7.8
78.95789	2.5
78.98478	8.9
79.95616	15.4
80.96397	97.6
85.02819	4.4
86.23553	1.7
87.00787	2.3
89.04836	1.9
94.97975	24.7
97.02819	3.2
98.20473	2.3
101.02318	2.5
106.97965	5.6
122.97449	5.8
125.02311	3.0
127.03897	2.4
134.97466	7.3
139.26686	2.0
148.99023	10.6
149.64861	1.8
152.98492	6.2
164.98546	14.9
171.10168	4.8
206.99748	2.0
225.00725	27.0
255.04233	2.0
255.23358	3.8
279.23288	4.2
305.31448	2.1
444.70923	2.1
453.14371	2.9
709.38397	100.0
710.38885	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	709.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11414	0.5
63.96120	1.8
68.30428	0.5
69.03342	1.1
70.32468	1.6
70.32852	1.2
71.01258	11.0
72.80783	0.6
73.02818	2.2
74.03130	0.6
78.95782	0.8
78.98463	9.1
79.95608	16.4
80.96393	100.0
81.03338	1.0
85.02818	2.8
87.00735	3.7
94.97962	21.4
95.01218	0.7
96.95865	1.5
97.02834	2.5
99.00780	0.7
101.02360	3.0
103.64758	0.6
106.97987	4.7
108.10289	0.6
113.02332	0.8
122.97481	4.1
125.02334	5.0
127.03862	0.8
134.97493	6.7
136.99034	1.6
148.97923	1.0
148.99046	8.3
152.98557	8.2
164.98560	17.3
166.70618	0.5
167.00125	0.7
171.10190	2.3
194.48100	0.6
206.99614	3.0
212.97305	0.6
225.00702	23.1
226.00969	0.7
254.66907	0.5
255.23244	2.0
279.23343	4.3
281.08823	0.8
283.05008	0.7
399.32086	0.6
408.73651	0.6
453.14291	3.7
460.47812	0.6
537.27332	2.1
709.38385	77.9
710.38727	16.0
718.13593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48464	0.4
55.01750	0.8
57.03325	1.4
58.00452	1.0
59.01254	23.2
61.98676	0.7
67.17705	0.4
67.59303	0.5
69.03313	0.9
71.01256	17.3
72.01623	0.5
72.99181	1.6
73.02815	2.9
75.00755	2.0
78.95789	0.8
81.03345	0.7
83.01259	1.9
83.04904	0.8
85.02821	4.8
85.26012	0.6
87.00748	3.0
89.02322	15.5
95.01279	1.0
96.95874	0.7
97.02831	2.9
97.06475	0.6
98.20654	1.0
99.00787	1.7
99.08044	1.0
101.02328	11.8
111.08014	0.5
113.02345	6.4
113.09606	1.6
119.03388	5.1
121.10104	0.6
125.02357	4.1
125.09620	1.6
127.11173	0.6
129.09094	2.2
131.03366	0.9
133.04907	0.6
134.58273	0.4
139.11224	2.8
139.12129	0.5
143.03410	2.0
149.04478	0.9
161.04482	3.0
163.11182	0.7
165.12740	1.0
167.10654	0.5
169.12273	0.8
171.10170	7.5
179.05579	3.5
181.08617	0.8
181.12209	1.1
183.13821	1.1
185.11780	0.7
193.05009	0.6
193.12267	2.9
197.11707	3.0
199.13362	1.8
209.11758	1.5
211.13361	7.6
212.13713	0.8
217.24472	0.5
221.06683	0.8
229.47813	0.7
235.08176	4.3
249.22302	0.5
253.09291	1.4
263.07690	1.1
275.20172	0.6
278.87332	0.5
293.21201	12.8
294.21521	1.0
305.08633	1.1
309.21326	0.6
311.22284	100.0
312.22638	8.6
323.09738	0.9
357.19348	0.7
397.13498	24.7
398.13898	1.8
412.81149	0.5
415.14578	25.0
416.14972	1.5
533.29529	1.1
577.76605	0.6
687.94867	0.5
709.36011	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.7
55.35248	0.4
57.03321	1.7
58.00468	1.4
59.01256	22.7
61.98713	1.0
69.03331	1.8
71.01257	17.4
71.57232	0.7
71.57612	0.6
72.99184	1.9
73.02825	2.7
75.00757	1.5
81.03318	1.2
83.01258	1.3
83.04903	0.8
85.02831	3.9
87.00766	2.9
88.84072	0.4
88.98726	0.6
89.01762	0.8
89.02319	16.3
93.03362	0.7
95.01258	1.4
97.02821	3.2
97.06490	0.5
99.00745	1.5
99.08031	1.7
101.02328	12.3
105.25278	0.5
109.06512	1.0
111.04353	0.7
113.02338	6.7
113.09600	1.1
119.03408	4.2
121.02773	0.5
121.10184	0.6
125.02349	4.3
125.09593	0.9
129.09099	2.1
131.03416	0.6
139.11201	2.1
139.31631	0.5
141.01871	0.5
142.37895	0.5
143.03413	2.4
149.09615	0.5
161.04431	2.7
163.11206	0.9
165.12779	1.0
167.10641	0.6
167.14407	0.5
169.12296	0.9
171.10187	8.6
172.10532	0.6
179.05556	3.6
181.12306	2.0
183.13850	1.5
185.11842	1.1
190.02773	0.6
193.12282	3.9
193.94653	0.4
197.11784	3.0
199.13347	1.4
209.11818	3.1
211.13353	9.6
212.13905	0.6
221.06578	1.2
227.12836	0.7
235.08206	4.3
249.22179	0.9
253.09259	1.4
275.20245	0.6
287.07822	0.9
293.21249	13.6
294.21527	1.1
305.09003	0.8
311.22296	100.0
312.22675	8.3
323.09818	0.8
326.58328	0.5
397.13541	24.2
398.13803	1.7
415.14569	22.6
416.14847	1.8
709.35803	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	709.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03330	1.0
58.00469	0.8
59.01258	19.2
61.98698	0.8
69.03323	1.1
70.80772	0.5
71.01262	14.3
71.58152	0.6
72.99183	1.6
73.02834	2.1
75.00748	1.3
78.95757	1.0
83.01251	1.7
85.02826	3.5
87.00755	3.0
89.02326	13.2
95.01264	1.1
96.95896	1.7
97.02835	1.8
99.00751	1.0
99.04433	0.6
101.02340	10.6
104.83515	0.5
109.02840	0.7
111.04405	1.1
113.02340	5.2
113.09547	0.6
115.07519	0.6
118.62722	0.5
119.03395	4.0
121.02757	0.8
125.02355	3.1
129.09084	0.6
131.03441	0.7
143.03395	1.7
161.04478	2.1
163.11166	0.5
167.14336	1.9
169.60902	0.7
171.10205	0.9
179.05547	3.2
181.08713	0.9
181.92065	0.6
183.13844	2.0
185.11774	0.5
195.13838	6.2
196.14203	0.7
197.11803	1.3
209.11745	1.3
211.13362	3.2
221.06761	0.9
227.12999	0.6
235.08148	3.2
242.15273	1.2
249.22023	0.7
253.09326	1.0
265.21848	0.6
275.14969	1.2
275.19928	0.5
287.07544	0.7
292.20041	0.5
292.28500	0.6
293.21283	11.6
294.21338	0.8
305.08752	0.6
309.20697	1.1
311.22305	100.0
312.22650	8.9
323.09802	0.7
341.10205	0.7
397.13544	15.4
398.13977	1.4
415.09048	0.9
415.14612	18.6
416.15005	1.5
533.29602	0.7
709.35291	4.6
710.34998	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	709.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41778	4.0
55.56237	4.3
56.12170	4.2
57.03324	4.9
58.24182	4.7
59.01258	100.0
69.34196	40.6
71.01252	20.0
78.95786	9.3
85.02844	5.0
96.95900	9.8
98.20550	9.2
101.02344	6.4
109.06492	5.9
113.02320	6.3
153.17900	5.1
160.90945	4.3
162.82941	4.2
171.10170	9.9
183.13849	22.4
197.11803	20.2
199.09677	22.3
201.11281	5.3
204.51076	4.9
206.64093	4.6
207.10263	14.9
207.13641	4.4
209.11681	20.7
211.11455	8.0
211.13338	56.6
227.12808	8.3
235.08241	7.5
253.09253	16.6
266.18887	4.2
289.66016	4.1
293.21292	6.3
300.02734	6.0
479.99850	6.3
577.24103	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	709.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85152	1.3
57.03315	1.3
59.01255	36.1
60.49051	1.4
60.56194	1.4
61.98698	3.0
67.25432	1.4
69.03365	1.7
71.01255	7.3
73.02844	3.5
78.95789	8.0
83.01245	1.6
83.04894	2.6
84.19836	1.4
85.02843	2.5
87.00735	1.7
88.98711	1.3
89.02335	2.9
96.95886	3.8
97.02804	2.5
101.02328	3.5
109.06500	6.0
113.02336	3.4
113.09418	1.6
125.09660	2.2
127.11178	1.7
133.44704	1.4
135.08070	1.9
137.09671	3.0
147.08067	1.9
152.99533	3.6
155.10710	3.1
161.04480	3.1
163.11229	4.8
171.10210	10.9
181.08632	3.1
183.13847	15.5
197.11775	3.0
199.09706	35.5
201.11385	1.5
207.10152	16.0
209.11816	7.6
211.13356	100.0
212.13666	6.1
225.11264	12.5
227.03494	2.4
227.12996	3.2
235.08224	6.1
253.09296	11.0
255.02959	4.8
284.03293	4.0
285.03998	3.1
293.21326	1.7
309.20734	1.8
327.21600	3.2
339.19955	2.0
373.23898	1.8
375.21780	4.4
391.24942	2.7
401.23239	2.7
417.17758	3.0
419.24057	2.2
435.18716	5.6
447.22119	4.2
461.20071	3.1
593.29663	3.9
611.30688	5.5
629.31500	4.6
637.22388	1.5
637.31940	6.6
655.33667	6.4
677.36957	2.9
709.37927	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	709.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42603	0.4
59.01260	5.7
61.98702	0.8
63.02275	0.7
65.00195	1.2
70.10407	2.2
70.42736	0.4
71.01254	0.7
73.85004	0.5
83.01279	0.8
87.72287	0.5
105.33670	0.5
107.01282	1.7
108.02048	1.8
109.02842	1.4
111.85150	0.5
121.02820	1.5
124.01583	0.6
134.40326	0.5
135.00838	0.9
136.74332	0.5
148.01587	1.1
151.00299	8.4
153.01913	0.7
163.00308	2.6
164.01045	0.6
169.01353	0.8
178.99803	6.1
183.04564	0.8
187.03937	0.5
197.11827	0.6
199.03934	1.0
201.90121	0.5
208.48936	0.5
209.11847	0.7
211.03926	0.8
211.13374	1.3
216.04155	0.6
221.84109	0.6
226.02702	1.8
227.03488	3.9
239.03401	0.7
241.14476	0.7
243.02994	12.0
244.03174	1.1
254.02203	2.5
255.02986	31.5
256.03314	1.8
271.02496	68.4
272.02902	5.6
273.03818	0.6
280.18164	0.6
283.02502	1.3
291.19904	0.5
293.21222	1.9
299.01898	4.0
300.02765	100.0
301.03473	32.5
302.03775	1.6
316.99982	0.6
343.04538	0.6
377.27240	0.6
453.87500	0.6
593.46027	0.5
705.20959	0.6
709.28668	49.6
710.28864	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	709.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82253	0.9
55.41127	1.2
56.55351	0.9
58.68525	1.0
58.91422	1.0
59.01256	4.6
66.79239	1.0
67.01756	1.1
71.01256	4.7
72.99196	1.4
75.00751	1.5
85.02814	9.2
87.00753	4.9
93.03352	2.4
96.95901	4.4
101.02351	1.5
109.02843	1.7
111.04395	1.6
113.02351	2.1
115.00269	1.4
119.04916	1.0
121.02859	2.6
138.96930	1.1
151.03821	1.1
152.01083	1.1
155.49286	1.1
163.03914	2.3
173.04541	2.0
175.02399	1.1
191.05553	100.0
192.05879	3.8
224.16412	1.1
229.31145	1.2
242.85132	1.4
249.06149	1.8
253.13460	1.2
267.07175	1.2
337.09332	18.5
371.09973	3.1
512.13721	1.2
630.01245	1.2
663.51117	1.3
709.30017	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57221	0.4
55.01765	0.6
57.03310	1.0
58.00469	1.4
59.01255	22.2
64.05125	0.5
69.03343	2.5
69.37648	5.0
71.01258	14.7
72.60458	0.5
72.87732	0.5
72.99193	0.7
73.02827	2.0
73.89244	0.4
81.03332	0.9
83.01270	1.9
85.02839	2.9
87.00765	3.0
89.02323	15.0
91.03930	0.6
95.01263	0.6
97.02852	4.2
98.19745	0.5
99.00758	1.3
101.02328	13.2
109.06469	0.6
111.08054	6.9
113.02328	6.4
119.03405	4.7
124.41817	0.5
125.02339	4.0
125.09578	0.7
127.07590	0.6
131.03383	0.7
137.09641	0.9
143.03445	2.5
148.29056	0.5
149.04549	0.5
151.11208	0.5
153.12733	0.7
155.25380	0.5
155.43823	0.6
161.04469	3.0
162.98697	0.5
163.11171	1.0
163.36844	0.5
165.12775	1.3
169.12206	2.4
171.10197	2.1
179.05519	5.1
179.10623	0.7
181.12254	1.5
182.21785	0.5
183.13882	0.7
185.11865	0.6
197.11777	33.1
198.12056	1.2
199.13347	1.7
209.11719	1.2
211.13373	4.5
212.13515	0.6
221.06599	0.9
227.12840	1.5
235.08228	3.9
247.20757	1.3
253.09328	1.6
263.07901	1.0
263.20093	1.8
265.17987	1.0
273.18542	0.7
287.07581	0.9
291.19678	23.3
292.20026	1.1
305.08850	1.5
309.20718	100.0
310.21075	9.3
323.09851	0.8
397.13522	21.6
398.13913	1.7
415.14584	30.3
416.14798	1.8
707.35089	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.2
58.00464	1.6
59.01255	26.9
69.03340	1.4
69.92975	5.3
70.85580	1.0
71.01260	20.6
72.99187	1.8
73.02822	3.5
73.98717	0.9
80.42765	0.9
81.03343	1.6
83.01267	1.7
83.12422	0.9
85.02821	4.4
87.00733	4.3
89.01762	1.2
89.02316	22.5
89.02836	1.6
91.03933	0.9
95.01292	1.3
97.02867	4.4
99.00771	1.5
101.02329	15.9
109.06483	1.2
111.00755	1.0
111.08051	11.4
113.02345	6.4
119.03387	5.6
119.08547	1.0
125.02356	4.4
130.20305	0.9
131.03378	1.4
137.09604	1.5
143.03413	2.7
146.00539	1.0
149.04515	1.4
153.12878	0.9
158.52818	0.9
161.04453	2.9
165.12796	1.2
169.12279	5.2
171.10239	1.8
179.05515	3.9
181.12305	1.5
191.88596	1.0
197.11787	54.6
198.12143	3.2
199.13383	2.6
209.11826	1.0
211.13390	7.0
221.06583	1.9
227.12860	1.3
235.08255	5.4
247.20622	1.0
253.09341	2.2
263.20065	2.1
265.18118	1.2
273.18576	1.3
276.18936	0.9
286.87360	0.9
291.19699	19.8
292.20071	1.3
305.08578	1.1
309.20731	100.0
310.21078	9.0
397.13550	27.4
398.13959	1.2
415.14584	31.4
416.14987	3.0
417.68161	1.0
559.20599	0.9
569.35822	1.0
707.34467	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	707.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28455	1.7
59.01255	16.2
61.98701	38.0
78.95801	3.1
83.04916	1.8
85.49737	1.6
89.02325	2.3
96.14996	1.6
101.02340	2.1
111.35410	1.6
117.27558	1.6
151.00342	2.6
152.99513	2.3
171.10368	1.9
183.13838	3.9
211.04022	3.5
211.13345	75.0
212.13689	2.0
227.03462	79.3
228.03752	6.6
229.05072	1.8
235.08173	1.8
244.18988	1.7
253.09186	5.5
255.02960	100.0
256.03519	10.6
257.04471	2.3
277.21732	48.9
277.24814	2.5
278.21988	3.1
284.03262	53.1
285.03995	41.8
300.02887	2.3
309.20786	2.4
447.22168	2.4
580.81519	1.8
707.30701	87.0
708.30853	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	707.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
58.00467	1.6
58.55901	0.6
59.01254	24.5
62.63001	0.6
69.03336	1.5
71.01257	17.9
72.99168	0.6
73.02827	1.8
76.85532	0.6
83.01254	2.2
85.02823	3.7
85.53934	0.6
87.00749	4.1
89.02321	17.2
90.73524	0.6
95.01265	1.3
97.02840	2.6
97.06499	0.6
99.00743	1.0
101.02332	12.9
111.08027	5.4
113.02319	6.9
113.09615	0.7
119.03402	5.0
125.02338	2.8
127.07536	0.8
141.01813	0.9
141.09154	0.7
143.03409	1.8
153.12807	1.0
161.04485	3.2
165.12758	1.8
167.14406	0.8
169.12253	1.7
179.05598	3.2
181.12233	2.0
183.13857	1.0
193.12186	0.8
195.13747	1.0
197.11769	28.1
198.12109	2.1
198.22145	0.6
199.13425	1.9
211.13367	4.1
221.06508	1.5
221.15388	0.8
227.12804	1.1
235.08333	3.6
247.20621	2.0
253.09360	1.3
263.07626	0.9
263.20129	1.7
265.18048	0.8
273.18597	1.9
287.07379	0.7
291.19659	24.0
292.19873	1.4
305.08817	1.0
309.20718	100.0
310.21048	9.2
323.09811	0.7
397.13510	20.9
398.13828	1.1
415.14566	25.1
416.14987	1.5
577.51337	0.7
707.34735	7.0
708.34973	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	707.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.2
63.02299	0.6
65.00192	1.0
74.81174	0.6
78.95768	1.0
88.92987	0.6
93.03346	0.6
107.01304	0.9
125.02306	0.8
126.90295	1.8
136.74123	0.7
151.00266	2.9
152.99496	1.6
171.10190	1.0
175.03938	0.7
183.04460	2.3
185.06030	0.8
187.03827	0.9
201.11301	0.9
209.11693	1.3
211.03999	2.4
211.13373	6.2
227.03456	82.6
228.03758	4.7
229.05061	1.2
239.03426	0.7
251.59824	0.7
255.02975	100.0
256.03540	11.5
257.04382	1.4
277.21725	6.0
279.23184	1.0
284.03265	54.2
285.03976	16.8
286.04498	1.0
327.05042	1.4
333.83609	0.7
345.27884	0.7
453.15390	1.0
471.16064	0.7
508.19437	0.6
707.30695	80.2
708.30975	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	707.271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29346	0.9
59.01254	6.2
61.98705	14.1
64.54852	1.0
65.00191	1.2
66.26377	1.2
66.59546	1.0
71.01240	4.9
71.57837	1.5
78.95773	13.0
83.01245	1.3
89.02308	1.9
96.95866	2.0
96.96803	1.3
101.02321	1.4
107.01274	2.4
108.02030	2.1
109.02805	1.2
113.02296	1.1
118.88881	1.0
121.02831	2.6
135.00786	1.5
148.01614	1.6
150.72961	1.1
151.00266	7.5
152.99506	6.9
163.00255	3.2
163.11166	1.1
171.10167	2.1
178.99846	7.8
197.11949	1.4
201.11220	2.0
209.11858	9.4
211.04021	1.7
211.13254	3.0
225.11171	1.5
226.02634	2.2
227.03366	4.5
243.02911	11.8
244.03371	1.3
254.02281	2.6
255.02971	31.1
256.03207	3.1
260.37439	1.1
271.02481	62.9
272.03070	6.2
291.19510	1.5
299.01935	3.7
300.02750	100.0
301.03464	31.7
309.20746	2.7
311.22241	3.6
395.14990	1.4
447.21399	2.4
675.34601	3.3
707.26965	46.4
707.37115	2.5
708.27148	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	707.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.4
62.84172	0.1
69.27081	2.0
71.01249	0.4
72.99192	0.2
74.68743	0.2
79.95611	2.9
87.00787	0.2
89.02343	0.2
96.95893	100.0
97.95817	0.4
111.00720	0.2
119.04965	0.2
137.02386	0.2
151.00246	0.4
156.00493	0.2
160.11542	0.2
169.01399	0.2
174.01611	0.3
243.02890	0.2
255.02957	0.3
259.34357	0.2
264.43854	0.2
271.02490	0.6
300.02811	1.6
301.03378	0.8
389.17398	0.2
407.10001	0.2
447.09491	0.7
479.06870	0.2
577.11609	0.2
579.13550	0.2
609.14703	1.3
610.14709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88882	0.1
59.01278	0.2
60.18221	0.1
64.99041	0.1
70.40164	0.1
71.01230	0.1
71.57880	0.2
71.78908	0.1
72.99166	0.1
79.95615	2.9
81.27073	0.1
85.02830	0.1
87.00739	0.1
89.02300	0.2
96.95893	100.0
97.95845	0.4
99.00761	0.2
109.02819	0.1
111.00761	0.1
125.02310	0.2
137.02330	0.2
151.00220	0.3
156.00598	0.2
174.01640	0.2
175.02151	0.2
178.99834	0.2
243.02847	0.1
254.07460	0.1
255.02939	0.3
271.02515	0.6
272.02826	0.1
300.02731	1.2
301.03616	0.6
314.99667	0.1
447.09488	0.2
609.14722	1.0
610.15552	0.1
625.86554	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	705.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	25.8
64.63971	0.4
71.01252	3.6
73.02811	0.6
78.95791	0.7
83.04921	0.5
85.02834	1.0
89.02316	1.0
95.04947	0.4
98.19713	0.7
101.02320	1.2
103.57812	0.4
104.70120	0.3
113.02346	1.7
129.43605	0.3
138.06755	2.9
139.07552	0.8
148.58337	0.4
151.07538	2.1
152.08342	2.5
153.09143	10.1
154.09502	0.6
161.04471	0.9
163.11188	0.8
189.29536	0.4
205.12312	3.9
209.11794	9.3
210.12117	0.5
223.13321	2.0
253.09242	0.8
275.20148	0.6
277.21744	100.0
278.22092	7.6
291.23340	1.6
319.22589	0.4
332.76361	0.4
367.04761	0.4
367.17535	1.6
385.18707	1.2
478.24487	0.4
602.70587	0.4
645.40186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99464	0.8
57.03316	1.1
59.01253	8.1
59.22391	0.9
59.36312	0.7
61.98708	1.5
63.03622	0.8
67.30925	0.8
69.25275	10.6
70.15290	0.7
71.01259	8.1
73.02808	1.8
80.02535	1.0
80.96394	2.4
81.03331	1.6
83.04910	4.7
84.02026	0.9
85.02814	1.4
87.00771	2.0
89.02332	3.9
94.97968	0.8
95.01321	0.8
98.19707	1.6
99.00756	1.1
101.02317	6.0
111.08043	1.5
113.02359	3.0
119.03418	1.2
143.03406	0.9
161.04478	2.6
163.11188	3.2
165.12801	11.3
171.10184	1.2
181.12288	1.4
183.13841	100.0
184.14195	6.9
187.67140	0.8
199.13359	1.7
209.11780	69.3
210.12151	3.8
211.13354	3.8
225.11308	1.8
227.12845	15.3
228.13319	1.1
235.08102	3.9
253.09254	6.4
293.21295	0.8
307.19006	1.3
445.20721	2.9
463.21881	6.8
617.30676	0.9
624.57080	0.9
655.33417	1.8
673.34424	78.4
674.34717	14.2
705.36066	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	705.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59788	1.0
59.01257	100.0
61.59541	0.9
61.98690	3.6
71.01257	7.7
71.06703	1.5
71.07041	1.7
72.99113	0.8
73.02799	4.0
78.95752	1.3
81.03333	1.6
83.04901	10.9
85.02814	1.3
86.50622	0.9
89.02336	2.6
101.02342	3.8
113.02331	3.8
119.03403	1.0
121.06470	2.0
125.05970	1.4
139.07558	1.0
155.17918	0.8
161.04478	1.8
163.11176	2.9
165.12752	1.5
205.12277	1.5
209.11784	71.1
210.12233	4.3
226.37228	1.0
253.09357	4.4
273.22269	2.5
277.21744	83.3
278.22061	6.3
291.23346	27.1
292.23593	1.5
301.21689	4.0
319.22858	10.3
331.22983	1.1
349.23654	1.2
491.89011	1.0
700.19232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33854	0.9
55.01751	1.9
57.03330	5.2
59.00990	1.1
59.01253	12.7
69.03330	1.3
71.01260	32.0
72.99194	6.8
73.02811	3.8
75.00750	39.2
83.01250	3.9
85.02829	38.5
87.00766	10.4
89.02331	2.9
95.01286	4.5
97.02823	1.2
98.19622	2.1
99.00167	1.3
99.00764	14.6
101.02311	6.3
103.00246	1.1
113.02333	36.5
114.02663	0.9
115.00249	3.8
117.01792	2.1
157.01393	1.8
161.04491	2.5
175.02397	6.8
208.84932	0.9
209.09834	1.8
209.11781	19.7
229.20528	1.2
238.35049	1.0
269.10263	3.4
277.21732	44.5
278.22073	3.5
383.13504	3.2
636.26270	1.2
705.34930	100.0
706.35321	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	705.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.7
57.03325	2.9
57.38026	0.8
58.00481	2.3
59.01252	30.8
61.98712	4.9
63.24768	0.9
69.03330	2.7
69.25053	7.4
69.25453	1.7
71.01255	25.1
72.99202	1.7
73.02828	4.3
75.00765	0.8
80.02551	1.8
80.96394	2.6
81.03339	3.4
83.01265	5.0
83.04898	6.5
84.02054	1.4
85.02834	6.3
87.00759	5.6
89.02321	27.0
91.03920	0.7
95.01291	2.4
95.04912	2.4
97.02831	4.2
97.06459	4.1
99.00771	2.7
101.02323	20.7
109.06468	2.0
111.08054	1.2
112.86816	0.8
113.02334	9.8
115.05650	0.7
119.03402	7.7
123.04424	2.3
123.08008	1.1
125.02322	6.6
125.05960	1.3
125.09611	5.2
133.04982	1.2
137.09628	2.3
143.03409	3.2
149.04480	1.1
151.11206	1.2
161.04523	4.7
163.11200	9.6
165.12772	12.7
167.10649	0.8
171.10242	2.4
179.05496	4.6
179.10710	1.1
179.96214	0.7
181.12276	3.5
183.13829	53.9
184.14186	2.3
185.11755	4.0
190.01698	0.9
191.10724	2.3
191.14354	4.4
197.11761	0.9
199.13338	3.0
207.08444	0.9
207.10202	5.8
209.11777	100.0
210.12114	3.8
211.13326	8.8
221.06610	1.4
225.11316	7.5
226.70496	0.8
227.12872	17.5
228.13190	1.7
235.08147	5.9
237.11253	3.9
243.12314	2.3
245.19087	10.9
246.19556	1.5
253.09279	7.7
263.07687	1.2
263.20163	3.1
271.16879	1.5
289.18091	39.0
290.18478	2.7
307.19156	49.9
308.19440	4.3
330.13727	0.8
397.13535	19.2
398.13998	1.2
415.14600	17.6
416.14542	1.4
445.20752	1.8
463.21912	3.2
594.04523	0.8
607.25983	2.0
611.32971	0.9
655.33612	2.3
673.34351	65.2
674.34821	8.8
705.36926	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	705.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40651	1.9
55.01760	3.2
57.03313	5.3
58.00470	3.1
59.01258	68.6
61.98697	2.4
66.96276	2.0
69.03336	3.1
69.33684	16.7
69.36302	1.9
71.01256	54.9
72.99183	5.2
73.02802	4.6
75.00751	16.5
81.03329	4.8
83.01253	6.8
85.02835	22.3
87.00751	14.0
89.02322	43.0
90.69302	2.0
91.03873	2.1
95.01266	4.8
97.02833	6.0
97.06486	4.6
99.00790	9.5
101.02330	29.0
109.06492	2.8
113.02329	25.9
119.03390	13.0
123.04438	3.0
125.02325	7.8
125.09599	6.0
137.09648	3.5
143.03415	4.8
161.04446	4.9
163.11191	7.4
165.12737	3.1
171.10252	2.0
178.76036	2.0
179.05519	7.3
183.13860	2.5
185.11816	9.2
187.41766	1.9
191.14331	10.9
207.10187	5.6
209.11807	25.7
211.13336	5.4
225.11320	4.0
227.12776	3.0
235.08232	5.5
237.11316	6.1
245.19136	18.0
247.41666	2.5
249.06161	5.8
253.09232	3.4
275.20239	3.3
289.18115	82.6
290.18347	6.5
293.21399	9.8
293.24329	2.0
305.08960	2.3
307.19150	88.1
308.19464	7.6
397.13467	37.0
398.13675	2.5
415.14560	34.0
416.14661	2.4
455.26340	4.4
460.16739	2.0
482.20468	2.1
687.33258	3.0
705.33380	100.0
706.33716	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	705.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09304	0.4
55.01756	0.8
57.03328	0.9
58.00457	1.4
59.01251	22.7
61.98700	1.1
69.03327	1.6
71.01254	19.8
71.04911	2.1
71.44554	0.5
72.99176	1.9
73.02829	2.7
75.00745	1.1
80.02562	0.7
81.02670	0.4
81.03339	2.0
83.01246	2.0
83.04890	1.4
85.02805	4.1
87.00746	4.7
89.02317	17.6
92.92018	0.5
93.03328	0.4
95.01261	1.2
95.04894	1.4
96.95871	0.6
97.02830	3.4
97.06470	0.7
98.03640	1.0
99.00761	1.6
101.01698	1.0
101.02328	14.5
102.02637	0.6
106.04092	0.6
107.04903	0.6
109.02813	1.3
109.06472	10.0
111.00710	0.6
111.04421	3.7
111.08056	1.1
113.02338	6.7
115.00224	0.5
119.03397	5.8
121.02858	0.6
121.06438	0.8
123.04390	0.7
123.08044	1.3
125.02344	4.5
127.07534	1.6
131.03374	1.2
135.08083	0.6
137.02322	0.8
137.09668	0.7
141.01881	0.7
143.03380	2.8
143.10667	1.1
145.06467	2.1
145.21758	0.5
149.04434	0.6
149.05954	0.6
149.09631	1.1
151.00252	0.8
151.11201	0.9
161.04477	2.9
163.11156	0.7
167.03407	0.7
167.10693	1.9
169.12233	0.4
171.10153	1.2
174.01607	0.8
175.02373	0.8
175.03835	0.6
177.12778	0.5
178.99806	0.5
179.05530	4.3
179.10745	0.7
181.12245	1.1
185.11649	0.4
191.14279	0.8
195.13800	1.8
201.11298	1.7
207.10239	0.5
209.11758	3.2
211.13338	1.0
217.07054	0.8
221.06598	1.1
225.11401	0.8
227.12822	0.8
235.08205	4.9
235.13327	1.2
243.00050	0.4
243.17473	0.6
244.33829	0.4
245.06612	0.6
245.19058	4.5
251.16476	0.5
253.09251	1.7
259.83481	0.4
263.07709	0.8
271.02499	0.7
271.17026	1.7
273.14926	0.6
287.07736	0.7
287.16455	1.9
289.18094	100.0
290.18433	7.6
299.01947	0.9
300.02658	0.9
305.08905	1.0
307.19162	7.7
308.19409	0.6
315.04825	0.7
323.09857	1.0
397.13510	26.4
398.13879	1.7
415.14542	18.7
416.14792	1.5
687.32623	1.3
705.33624	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	705.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	6.2
58.00470	2.1
58.27401	1.6
59.01250	30.1
61.98693	8.5
65.03831	6.5
65.73178	1.9
69.03312	3.0
71.01251	26.2
71.04897	6.3
72.99161	2.9
73.02818	5.2
73.96977	1.9
75.00735	6.1
78.95766	2.4
81.03357	2.1
83.01249	4.5
83.04897	4.1
85.02827	10.6
85.59361	2.0
87.00737	12.0
88.98651	2.0
89.02316	16.5
93.03326	2.9
96.95879	8.3
97.02827	6.5
97.06464	9.2
99.00759	24.6
101.02328	16.4
109.06463	2.7
111.00758	2.8
113.02290	9.2
113.99471	2.7
115.00174	2.0
119.03354	5.0
119.04921	2.6
121.06474	8.1
123.04445	2.2
123.08018	2.5
125.02324	5.9
125.09636	12.0
128.03424	4.6
129.01828	3.2
134.03622	2.3
135.08023	2.6
137.02248	3.0
143.03444	2.9
143.04523	3.4
145.02844	2.3
151.00267	7.4
156.00592	2.7
161.02347	2.6
161.04449	3.2
163.11176	8.1
165.05396	3.2
165.12637	2.2
166.04958	9.3
171.10220	5.8
174.01645	9.2
175.02335	2.4
175.03918	3.1
178.99728	5.3
179.05440	1.9
179.10687	2.8
181.12274	14.5
185.11737	7.8
188.61768	2.2
193.05040	2.1
197.11823	14.4
199.09608	2.5
199.13322	8.4
201.11226	21.4
207.10185	32.1
208.10451	2.0
209.11775	33.4
211.13347	26.9
215.12015	1.9
225.11287	47.4
226.11716	3.3
227.12770	2.8
229.31049	2.2
235.13507	9.9
235.15468	2.1
241.14409	7.3
243.02933	2.0
243.12347	30.4
249.06195	2.6
251.12720	1.9
252.08971	4.1
253.09160	2.4
265.09924	2.7
267.07126	8.1
267.11435	6.7
271.02496	5.2
272.08789	2.5
289.18079	7.0
293.09158	2.2
296.11929	1.9
299.02048	6.0
300.02597	3.1
301.03418	2.2
306.07611	4.8
307.19147	16.1
317.15506	2.7
362.04214	2.4
397.13562	4.6
413.20737	2.3
415.14578	7.9
417.13831	2.6
461.20578	3.0
479.21277	13.2
536.16980	5.1
580.15338	9.9
581.15833	2.7
661.31458	4.4
667.39117	4.5
687.22357	2.4
687.32391	15.2
705.21173	5.5
705.33392	100.0
706.33771	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	705.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49511	0.5
55.01752	0.6
57.03321	1.9
58.00470	1.3
59.01255	26.5
61.98698	1.6
69.03337	2.9
70.04852	2.7
71.01258	21.3
71.04892	1.2
72.99184	2.1
73.02829	3.4
75.00757	1.5
80.02518	0.6
81.03335	2.3
82.28265	0.5
83.01272	3.6
83.04902	1.2
85.02820	5.3
87.00756	5.2
89.02322	21.8
93.03336	0.6
95.01280	1.8
95.04903	1.6
96.95897	0.7
97.02818	3.6
97.06470	0.9
98.19897	0.6
99.00766	2.9
101.02327	17.3
106.04132	0.7
107.04939	0.7
109.02862	0.8
109.06481	6.6
111.04398	2.6
113.02331	7.8
119.03388	8.3
121.06492	1.2
123.04404	2.1
123.08046	1.1
125.02335	5.8
125.09621	3.1
127.07535	0.7
131.03429	0.7
135.08064	0.8
137.02397	0.7
137.09615	2.4
141.09016	0.5
143.03410	2.5
143.67619	0.5
145.06325	0.8
149.02388	1.0
149.04475	0.7
149.09666	0.7
151.00357	0.8
151.03825	0.7
161.04510	3.3
163.11215	4.1
165.12680	0.6
167.10696	1.0
169.12228	1.1
171.10252	3.0
177.12773	0.7
179.05565	5.2
179.10785	1.0
181.12254	2.0
183.10159	0.6
185.11760	3.8
191.14377	5.3
195.13817	1.4
197.11804	0.9
199.13451	0.8
201.11189	0.5
207.10239	3.8
209.11832	5.9
211.13326	1.0
215.12784	0.7
217.15961	0.7
221.06616	1.4
225.11339	5.0
227.12888	2.2
233.92278	0.5
235.08174	4.6
235.13377	0.7
243.12270	0.9
245.19101	11.5
246.19330	0.9
253.09262	2.5
263.07730	0.8
271.02417	1.0
271.17026	1.7
287.07944	0.7
287.16577	1.0
289.18112	100.0
290.18506	7.2
300.02872	0.9
305.08765	1.1
306.07541	0.7
307.19156	29.6
308.19550	1.9
323.09756	1.1
352.86691	0.6
397.13525	29.0
398.13925	2.3
415.14594	23.2
416.14740	0.9
433.31744	0.5
519.31085	0.8
633.31268	1.9
673.21411	0.8
687.32410	3.0
705.33575	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	705.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.7
57.03320	3.1
58.00476	2.8
59.01255	52.7
60.01558	0.6
66.76707	0.6
67.01765	1.0
68.99691	0.6
69.03333	3.6
69.34536	6.2
71.01258	37.2
72.99181	2.8
73.02816	5.9
75.00746	1.4
80.02560	1.0
80.96393	2.5
81.03319	4.4
82.95971	0.9
83.01267	6.7
83.04896	1.7
84.02060	0.7
85.02831	7.9
87.00751	8.6
89.02321	41.1
90.02679	0.6
91.03856	0.9
93.03364	1.0
95.01267	3.0
95.04925	2.2
97.02836	8.2
97.06456	4.9
99.00768	3.2
101.02328	31.7
106.04130	0.9
109.02831	1.0
109.06484	1.7
110.03659	1.2
111.00832	0.6
111.04407	1.9
113.02342	13.2
115.03874	0.7
119.03397	12.8
119.08565	0.8
121.02805	0.7
121.06483	1.7
123.04402	4.0
123.08070	1.2
124.01545	0.6
125.02340	10.4
125.06007	0.8
125.09618	8.2
131.03380	1.8
133.04959	0.8
135.08076	1.4
137.06000	0.8
137.09648	5.3
139.03931	0.9
141.01814	1.5
141.12744	1.3
142.02594	0.6
143.03416	5.5
149.04500	1.6
149.05988	0.9
149.09665	1.0
161.04489	6.4
161.09607	1.0
163.07558	1.1
163.11209	8.2
164.11545	0.6
165.09094	0.9
165.12741	2.3
167.03342	0.6
167.10713	0.7
169.12228	0.6
171.10187	1.0
175.11263	1.3
177.12785	0.9
179.05534	9.6
179.10735	1.0
181.12271	2.1
185.04510	0.8
185.11781	7.8
191.10718	1.3
191.14363	9.0
192.14664	0.8
199.13356	0.9
207.10190	6.6
207.13637	0.7
209.11783	26.2
211.13333	5.2
217.07085	1.3
217.15924	1.2
219.10257	0.7
221.06609	3.1
225.11276	5.1
227.12886	2.2
235.08191	8.8
237.11301	8.1
245.19073	21.3
246.19429	1.3
253.09215	3.5
261.18530	0.7
263.07663	1.5
263.20154	4.5
271.17090	1.8
277.09119	1.4
281.21191	2.9
287.07672	2.2
289.18103	85.8
290.18457	6.6
302.79688	0.6
305.08905	1.7
307.19150	100.0
308.19489	9.3
309.20590	0.7
323.09918	1.4
325.20175	0.7
376.11685	0.6
397.13513	41.4
398.13681	2.4
415.14606	40.2
415.19122	0.6
416.15277	3.0
607.25958	1.2
673.34442	3.5
705.32983	9.2
706.33478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50899	1.8
59.01238	5.8
69.79222	7.2
69.79649	4.2
71.01252	5.2
72.99168	2.9
73.02838	2.1
75.00741	6.8
85.02827	5.7
86.00050	1.5
87.00751	3.4
93.25007	1.6
99.00761	7.5
100.01532	4.2
111.00774	15.4
113.02312	7.5
113.99478	8.0
115.00248	2.1
121.54752	1.7
128.01042	10.2
144.75166	1.7
156.00551	100.0
156.07576	1.6
157.01306	3.3
174.01610	68.3
175.02277	5.3
193.03435	2.9
243.24457	1.6
294.34113	1.8
392.85355	1.7
423.76208	1.8
481.07291	1.8
511.41251	1.8
514.30499	2.0
529.22974	3.3
553.08350	1.8
643.26019	98.2
644.26477	14.4
645.24219	8.4
669.24579	2.6
687.25153	4.9
705.25952	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	705.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96478	1.7
57.03325	1.8
59.01255	18.6
61.98698	3.5
69.03352	2.4
71.01261	14.1
72.99168	4.8
73.02840	3.4
75.00738	4.5
75.77641	1.5
77.58928	1.5
78.21183	1.4
78.95774	3.5
83.01259	2.5
83.04910	1.7
85.02826	5.4
87.00753	5.6
89.02332	8.5
93.03321	2.8
96.95889	15.0
97.02759	1.8
98.19746	3.8
99.00769	16.9
100.01530	3.6
101.02303	6.8
109.02837	3.2
111.00751	8.5
113.02359	7.7
113.99475	55.4
115.00252	3.9
119.03384	3.2
119.08530	1.9
121.06521	1.9
125.02348	3.5
127.11154	1.9
128.00983	3.2
131.55945	1.5
132.02057	3.7
133.02867	3.5
134.03615	14.0
135.04373	1.8
137.02296	3.5
147.04390	1.8
149.05984	2.3
151.00226	3.8
151.03918	3.4
153.01782	3.0
156.00552	52.4
160.01575	20.5
161.02348	15.6
166.04977	3.9
171.10161	2.3
174.01614	100.0
175.02174	5.7
175.03917	20.8
176.04695	3.6
176.13696	1.6
179.03419	3.0
185.11766	5.0
186.34534	1.8
191.07051	3.1
193.03432	2.5
193.04935	11.7
201.11270	5.0
209.11760	6.9
211.13284	5.9
225.11392	2.3
229.33295	1.6
235.06056	5.3
252.08842	3.1
253.09370	1.6
267.11359	3.9
271.02463	4.2
289.06946	2.1
289.18033	6.9
299.01965	7.8
300.02591	3.5
301.03552	1.9
307.19266	2.2
415.14359	1.7
461.00851	1.7
536.16418	3.2
546.81976	2.0
557.24268	2.7
580.15845	6.5
587.24432	5.1
589.25751	2.1
601.26361	2.0
605.26080	28.5
606.26245	5.7
608.13550	2.2
643.27759	2.2
645.25482	24.8
646.25787	5.5
661.30890	2.5
667.56757	1.8
669.25702	2.9
669.40460	6.3
687.33105	2.8
705.33679	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	705.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	1.0
59.01268	4.9
65.00170	1.0
66.18409	1.0
69.03329	0.9
71.01270	8.0
71.31732	1.3
72.99191	2.7
73.02811	1.4
75.00761	7.4
83.01276	2.6
85.02833	4.9
87.00755	4.4
89.02324	2.8
95.01291	1.4
96.95902	4.0
99.00768	9.8
100.01554	8.4
101.02335	1.9
109.55743	1.1
110.99997	1.2
111.00764	18.3
113.02333	8.5
113.99475	8.8
115.00270	2.9
128.01059	9.2
131.03369	1.8
139.00246	2.5
144.61986	1.1
156.00560	100.0
157.01076	4.2
173.04509	1.7
174.01633	46.5
175.02380	5.7
191.05400	1.1
193.03468	1.8
235.04611	2.5
316.81946	1.1
337.07687	1.6
529.22919	2.4
643.26099	73.5
644.26520	13.6
645.23792	3.7
669.24097	2.0
687.24945	3.2
705.25824	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	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26669	19.1
57.33107	22.9
59.01258	28.1
61.98696	24.6
64.58584	18.5
71.00557	51.5
78.02280	22.5
78.95775	67.3
83.14360	22.8
90.90902	20.1
97.08046	18.9
97.09957	20.6
98.33157	24.1
151.38191	24.0
152.99463	41.5
199.35596	19.9
209.11772	64.3
213.62679	22.1
219.32590	21.5
241.14362	36.9
255.23241	100.0
256.23645	50.4
271.02463	26.2
291.18518	23.6
300.02802	33.9
301.03049	43.6
533.68890	24.2
703.31812	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.8
59.00984	1.3
59.01247	11.6
60.99183	6.5
65.03828	1.4
67.01763	16.5
68.74471	0.8
69.03323	4.2
69.35729	4.5
69.36148	3.6
71.01256	7.4
73.02815	3.3
73.10651	0.8
81.03326	3.6
83.01250	1.9
83.04887	2.6
85.02815	3.7
87.00750	19.8
89.02309	1.5
90.18015	0.7
93.03338	100.0
94.03658	2.3
99.00742	2.9
101.02296	4.6
109.02801	1.5
111.04402	11.9
113.02319	2.7
115.03859	1.2
119.01282	0.8
119.04924	35.2
120.05229	1.2
125.02299	2.0
129.01808	2.0
134.03596	1.1
139.03871	0.9
145.02826	3.1
149.02284	2.4
150.03055	1.9
155.03342	2.8
163.03931	23.8
164.04387	2.0
173.04474	35.2
174.01651	1.9
174.04712	1.2
175.00235	3.6
176.01015	5.5
176.66306	0.8
177.05400	0.9
190.02649	10.4
191.03415	6.2
191.05505	21.9
192.03923	0.9
193.04968	1.5
205.05035	10.0
209.04477	1.7
223.06099	2.2
229.57024	0.8
251.05367	1.0
273.68155	0.8
300.02658	0.9
301.03241	0.9
313.83777	0.9
337.09180	1.8
351.10706	3.4
353.08826	9.9
367.10266	3.7
517.13422	2.4
531.15045	7.5
557.76941	1.1
643.26044	1.1
705.20227	53.4
706.20721	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	703.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.9
56.86136	1.6
57.03314	3.7
58.00468	3.2
58.74161	1.7
59.01252	100.0
60.57610	2.2
61.98698	4.5
69.03333	3.5
69.25060	10.7
69.25489	11.0
71.01254	63.4
72.99168	5.2
73.02831	11.5
75.00764	4.2
78.05971	1.8
78.95753	2.2
81.03336	2.0
83.01252	8.1
85.02824	24.9
87.00736	7.1
89.02324	32.3
93.03330	2.2
95.01276	6.0
95.04896	2.0
96.73647	1.9
96.95882	5.2
97.02830	4.2
98.20636	3.7
99.00770	10.3
101.02319	35.4
109.02833	3.4
111.00758	5.3
113.02330	30.5
119.03408	9.8
119.04889	3.1
123.00789	1.8
124.01504	3.3
125.02359	14.5
128.03400	3.3
131.03372	4.0
134.03618	4.4
136.33173	1.8
137.02393	3.2
143.03368	7.8
143.04460	3.6
145.02838	8.5
149.02289	4.0
149.04520	2.6
149.99434	2.1
150.03101	4.3
151.00256	3.6
151.03931	3.7
151.07448	2.3
153.01869	2.3
154.44135	1.8
155.03365	3.9
159.02821	2.0
160.01561	2.0
160.05168	1.9
161.02330	2.4
161.04466	7.5
163.03889	4.3
165.01872	3.1
165.05423	2.8
168.00529	5.0
171.10211	2.9
174.01642	2.4
178.99788	3.8
179.05530	6.4
183.10223	4.6
193.04979	3.8
209.11765	3.0
227.03450	2.1
227.12820	2.1
243.12321	2.8
267.07083	3.8
271.02481	2.6
299.01895	6.6
300.02899	3.0
306.07709	7.6
315.14615	2.3
455.26572	4.7
461.07285	3.1
483.73767	2.4
535.28180	2.1
599.30768	82.8
600.31152	12.7
617.31750	71.1
618.32300	10.4
643.33344	3.9
659.33179	9.6
673.30481	4.8
703.32446	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61356	0.7
53.23423	0.6
59.01251	3.9
63.96098	2.1
69.03308	1.4
71.01250	10.1
71.44938	1.1
72.99194	0.8
73.02829	1.8
78.95757	1.6
78.98465	7.1
79.95605	16.1
80.96391	85.5
83.01210	1.0
85.02824	4.0
87.00751	4.1
94.97961	20.6
95.99722	0.7
96.95866	1.5
97.02827	2.3
99.00751	2.0
101.02292	3.2
106.97964	3.3
112.98727	0.9
113.02283	1.5
122.97470	4.8
125.02352	2.4
125.09519	0.7
127.03890	1.2
134.97479	5.7
136.99054	2.2
139.07558	0.8
143.14914	0.9
148.97931	1.0
148.99042	7.2
152.98531	6.3
164.97131	0.9
164.98541	14.3
171.10152	1.3
175.02452	0.8
197.11760	0.9
206.99608	3.3
209.11723	0.9
211.13339	1.7
223.13281	0.8
224.98418	1.0
225.00697	20.5
225.11174	1.0
567.97437	0.8
703.29993	100.0
704.30463	19.5
718.40424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.7
59.01252	12.7
60.24097	1.3
61.98441	1.5
61.98707	11.9
68.99696	2.2
71.01260	21.2
72.99181	5.9
73.02825	2.4
75.00758	1.7
79.95608	2.9
80.96395	14.4
83.01266	5.5
83.04913	2.5
85.02821	5.1
87.00748	5.1
89.02306	3.8
94.97952	3.4
99.00755	11.9
101.02323	3.1
107.79774	1.2
111.00762	5.4
112.98691	33.6
113.02326	2.5
113.99512	2.3
115.00271	12.2
124.98702	2.0
125.09581	1.9
129.01811	2.1
133.19019	1.3
134.97591	1.3
142.98761	2.3
142.99770	21.3
154.81195	1.6
156.00542	1.4
164.98560	3.6
171.10217	4.5
173.00858	11.3
174.01622	100.0
175.02422	23.7
185.11736	1.5
190.29543	1.3
209.11797	33.9
210.12199	1.7
211.13376	21.1
223.13339	4.8
225.00728	3.7
225.14914	2.0
227.12895	5.0
230.18512	1.3
230.20663	1.7
235.13417	1.5
237.14993	9.1
253.09340	1.7
263.12842	6.0
477.28488	1.9
551.28339	3.4
608.09973	2.0
609.28760	2.7
623.31274	1.7
641.32520	1.6
701.27881	12.5
702.28870	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	701.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19953	0.3
59.01254	8.5
61.32442	0.2
61.98703	1.0
66.26082	0.2
69.03320	0.4
71.01252	2.1
75.00764	0.4
78.66974	0.2
78.95761	0.4
83.04855	0.3
85.02833	0.5
87.00771	0.6
89.02307	1.2
101.02336	1.6
113.02308	0.7
119.03394	0.4
135.16345	0.2
145.04921	0.2
155.10757	0.4
161.04462	0.7
167.10870	0.2
167.14323	0.6
171.10187	5.3
172.10527	2.0
173.10793	0.4
179.05605	0.4
183.13840	6.1
184.14148	0.3
187.09889	0.3
193.12308	1.4
197.11696	0.8
198.12135	0.2
209.11807	0.4
211.13348	100.0
212.13702	4.5
229.53075	0.3
235.08241	1.8
253.09279	3.9
254.09419	0.3
291.19504	0.4
292.19922	0.4
295.22775	0.3
299.74091	0.3
309.20642	0.7
310.20947	0.8
311.21747	0.8
340.59473	0.2
387.25446	0.6
429.20941	0.5
445.59229	0.4
447.22354	6.4
448.22540	0.5
547.30756	0.3
623.34039	1.1
641.35187	0.5
701.39221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.6
61.98707	100.0
62.15249	0.2
63.02930	0.2
70.07047	0.8
71.01289	0.3
79.81158	0.2
80.96394	1.0
90.22417	0.2
99.00745	0.2
113.02303	0.2
121.58423	0.2
143.18201	0.2
171.10188	0.2
174.01689	0.4
197.11769	0.3
209.11778	0.2
211.13469	0.5
212.13625	0.2
300.02802	0.2
644.75281	0.2
666.14679	0.2
702.28143	0.2
703.30872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48964	1.2
57.03326	3.2
58.00470	1.9
59.01256	45.5
63.08170	1.4
69.03330	3.1
69.23756	18.2
71.01255	28.9
71.95911	1.4
72.99176	4.3
73.02825	5.6
75.00738	6.5
83.01271	4.0
85.02840	14.2
87.00760	7.4
89.02322	27.9
93.03366	1.6
95.01278	3.6
96.95867	3.9
97.02831	3.9
98.20518	2.5
99.00749	3.2
101.02322	22.3
101.72419	1.3
108.02092	1.4
109.02872	2.7
111.04414	2.1
113.02336	13.6
119.03390	6.8
119.04929	1.5
121.02811	2.0
124.82738	1.5
125.02334	5.2
131.03452	1.6
134.03622	3.1
137.02324	1.8
143.03387	3.6
152.01013	1.9
153.01810	2.6
160.01538	2.7
161.04460	5.3
175.03897	2.5
179.05496	5.4
181.08644	2.7
183.13866	10.1
190.02629	2.3
193.04988	3.0
194.54245	1.4
197.11795	2.3
211.13339	100.0
212.13681	5.6
221.06667	1.8
235.08173	7.5
241.10815	1.7
241.14816	1.6
299.01669	2.1
305.08807	1.8
315.14325	3.1
397.13544	70.0
398.13635	4.6
403.19888	2.4
415.09085	2.2
415.14563	27.7
449.27835	2.2
451.28482	1.5
471.85983	1.6
487.29843	1.5
519.31360	1.5
609.27448	12.5
641.30988	1.8
671.26459	3.0
700.35236	4.2
701.24597	2.9
701.36249	16.0
702.35699	2.3
705.03992	1.6
715.90759	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	701.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.5
71.57524	2.3
78.95744	2.2
107.01277	2.4
111.77637	1.8
113.85359	1.7
145.02827	7.4
148.01572	2.8
151.00301	10.1
163.00287	2.0
178.99808	3.9
201.11263	2.5
209.11774	53.8
210.12115	3.3
211.13330	2.4
226.02744	4.6
226.12117	2.0
227.03423	6.3
227.12856	6.7
235.08200	4.8
243.02928	19.0
253.09341	4.0
253.21793	4.4
254.02158	5.3
255.02954	27.8
255.23270	60.1
256.23529	2.8
271.02472	93.6
272.02939	8.9
300.02750	100.0
301.03473	34.9
463.08731	3.0
646.71686	2.2
679.28271	2.3
701.19580	4.2
701.31793	81.7
701.43298	3.3
702.32135	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	701.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07136	0.9
59.01244	2.4
63.23650	0.7
65.00192	1.5
67.06767	0.8
70.76794	1.2
70.77159	3.3
73.22732	0.8
75.34589	0.8
78.95790	1.3
85.11942	0.9
86.38074	0.8
107.01256	2.7
109.02802	1.5
121.02777	1.4
148.01575	1.7
151.00293	10.4
152.99567	1.1
163.00256	2.2
169.01411	1.4
178.99727	4.5
198.03113	1.3
199.03917	1.1
209.11783	3.2
214.13426	0.9
215.03320	1.5
226.02740	6.7
227.03413	5.0
243.02971	20.5
244.03294	1.3
245.04602	1.7
254.02176	7.0
255.02988	24.5
255.23259	6.6
256.03476	1.4
271.02490	100.0
272.02872	8.2
283.02698	1.3
295.22803	4.1
299.02145	1.2
300.02756	91.6
301.03482	34.6
302.03851	2.5
304.52243	0.9
463.09103	1.5
509.34909	0.9
701.31842	94.5
702.32275	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	701.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
71.21668	0.7
75.80318	0.5
112.48109	0.4
129.82945	0.5
152.99498	0.5
217.74251	0.5
255.23245	0.7
295.23260	0.4
436.73734	0.4
437.12518	0.6
438.13373	3.6
451.14349	0.9
452.15009	2.3
453.15472	0.9
460.61780	0.4
467.13086	0.6
470.12277	0.5
480.14374	1.0
481.15213	31.1
482.15427	6.0
495.16803	9.0
496.17398	2.3
497.18622	5.1
498.18976	0.6
514.15228	2.3
523.16541	1.1
524.45856	0.4
525.14178	1.2
533.93481	0.4
539.16003	2.2
540.16473	8.5
541.16644	1.7
553.17358	0.7
554.17834	2.9
555.18884	56.4
556.19183	9.9
567.19489	0.8
572.15540	13.5
573.15344	2.0
586.17017	6.3
587.17322	0.8
609.19641	1.4
627.21222	1.4
641.22595	23.0
642.23016	6.3
701.24701	43.8
702.24969	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	701.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26472	0.4
51.51868	0.5
56.33310	0.4
59.01254	100.0
67.51547	0.5
69.62711	3.7
78.95780	1.0
79.22369	0.5
88.24082	0.6
121.02962	0.5
129.90961	0.5
147.07144	0.4
209.11742	1.4
213.64938	0.5
229.92682	0.5
255.23248	3.2
288.85233	0.5
295.22787	1.8
419.25101	0.5
437.12360	1.4
438.13293	5.5
439.13510	0.7
451.14294	1.0
452.14957	1.9
453.15576	0.9
467.13522	0.7
480.14734	0.7
481.15219	43.5
482.15527	8.1
495.16733	11.8
496.17352	3.1
497.18433	5.0
498.18716	0.7
514.14832	2.4
523.16522	0.9
525.14600	1.5
539.15881	2.0
540.16473	11.1
541.16986	1.8
553.17468	1.4
554.18134	3.2
555.18890	73.6
556.19135	17.0
567.18939	3.9
568.19263	0.9
569.20404	1.4
572.06537	1.1
572.15546	19.9
573.15790	4.1
586.17084	5.1
587.17505	1.5
599.21387	0.8
600.18274	1.1
609.19757	1.6
626.20819	0.8
627.21381	1.2
641.22589	27.9
642.22803	7.7
658.18994	1.6
701.24689	50.0
702.24860	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	701.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.3
59.01254	39.9
61.98702	5.4
64.32771	1.3
71.01257	39.4
71.57980	2.5
72.99178	8.3
75.00751	29.4
78.95782	4.0
81.03338	2.0
83.01273	5.2
85.02820	32.4
87.00748	9.2
89.02310	11.3
93.03358	2.1
95.01270	5.0
96.95879	3.9
97.02863	2.1
99.00751	11.0
101.02319	11.3
106.97067	1.4
109.02842	1.4
111.00751	2.2
113.02332	32.9
115.00260	3.8
117.01819	1.7
119.03384	3.8
121.02850	4.4
122.02374	4.0
123.04379	1.6
125.02359	2.3
131.03401	2.2
134.03632	3.2
134.04596	1.7
137.02341	3.8
145.02768	1.4
149.02354	1.5
151.03918	1.7
157.01279	2.8
160.01605	1.8
161.02345	1.9
165.05481	2.1
173.04486	3.8
173.39008	1.3
174.01675	1.4
175.02409	6.1
175.03841	2.3
209.11781	2.9
225.11240	4.1
239.04811	1.4
253.14371	1.5
300.02835	2.2
327.65857	1.5
380.47559	1.5
453.14484	1.4
533.28955	1.6
539.19336	4.8
583.27820	1.5
657.31268	100.0
658.31903	15.8
665.36639	2.4
688.78906	1.5
701.29407	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	701.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42233	1.9
57.03322	2.0
58.00399	1.9
58.16565	1.9
59.01250	23.4
69.46997	2.1
69.51746	12.7
69.52177	5.9
71.01243	16.8
72.99177	3.8
81.03316	3.2
83.01221	2.2
85.02811	8.5
89.02321	10.4
93.03318	2.3
95.01260	8.0
101.02318	8.1
107.90528	2.1
108.02048	50.7
109.02155	2.8
109.02852	54.3
113.02328	7.5
115.12575	1.9
119.03394	2.6
123.00764	4.6
123.04338	2.4
150.03185	2.0
151.03900	4.0
152.01062	67.3
153.01852	38.5
163.03894	2.4
179.10663	3.0
271.02429	3.0
300.02649	5.4
301.03363	6.1
302.34897	2.1
315.07169	6.9
433.07605	6.0
448.46902	1.9
477.17786	17.3
521.16595	33.4
522.17017	3.3
636.12360	2.3
701.22913	100.0
702.23499	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	699.396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.3
55.80206	0.2
57.03332	0.8
58.00481	0.5
59.01254	3.6
69.03328	0.4
71.01263	2.6
72.99241	0.2
73.02828	1.0
81.03366	0.3
83.01243	0.3
85.02836	0.8
87.00768	0.7
89.02338	2.2
97.02826	2.1
97.06492	0.3
97.86637	0.3
99.08019	0.4
101.02327	3.4
101.02925	0.4
107.04910	0.3
111.08064	2.8
113.02349	1.7
119.03419	0.6
121.66475	0.2
123.08057	0.5
125.09626	2.0
127.11175	2.2
137.04892	0.2
137.09613	0.5
143.03395	0.3
145.05003	0.3
151.11258	0.3
152.99449	0.4
153.09097	0.6
153.12801	0.5
161.04544	1.3
163.11215	0.6
165.12767	1.8
169.12292	1.3
171.10190	100.0
172.10526	3.8
179.05580	0.3
181.12320	0.6
183.13783	0.3
187.09677	0.4
193.12251	0.4
193.15944	0.4
197.11777	13.4
198.12102	0.8
199.13335	0.7
209.11742	0.7
211.13322	2.1
223.13168	0.3
227.12874	1.2
235.08191	3.4
247.20700	0.9
249.15002	0.3
253.09270	11.0
254.09831	0.3
255.23232	0.3
263.20050	0.9
265.18054	0.7
273.18677	1.1
291.19666	17.0
292.19983	1.1
309.20709	31.2
310.21121	2.7
407.19034	1.1
463.30960	0.8
545.29791	0.6
699.38666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84821	1.9
57.03313	2.8
59.01254	20.3
61.98705	37.5
71.01259	9.3
73.02845	3.5
85.02825	5.2
87.00755	2.9
89.02319	8.2
101.02326	5.9
113.02327	6.4
119.03341	2.4
125.09598	5.4
131.16949	2.2
149.02502	2.3
161.04437	3.4
171.10188	100.0
172.10533	3.5
183.13727	3.2
197.11809	11.1
209.11710	9.0
211.13400	18.5
213.14920	3.1
215.14168	2.0
223.13396	2.7
229.31639	2.3
233.15469	17.3
235.08234	3.7
253.09276	13.5
289.73038	2.1
291.19702	16.6
309.20813	33.4
385.23755	6.3
403.24704	4.3
545.29535	2.3
595.30316	3.1
621.32709	41.0
622.32904	5.9
639.33197	6.2
699.38489	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18262	0.4
55.48832	0.5
57.03342	1.0
59.01259	4.7
61.36187	0.5
61.98721	0.8
68.49586	0.4
71.01255	3.6
71.49841	0.8
73.02838	0.9
73.47208	0.4
78.95792	0.9
83.01264	0.6
83.54343	0.4
85.02840	1.2
87.00745	1.1
88.98679	0.5
89.02328	2.9
97.06489	0.7
101.02323	3.3
107.40495	0.4
113.02341	1.2
113.09621	0.9
119.03391	0.8
125.09610	1.7
127.11195	1.9
141.09166	0.6
145.04964	1.0
153.09169	0.8
161.04494	1.7
163.11203	0.5
165.12798	1.2
167.14359	0.6
171.10197	100.0
172.10550	4.6
179.05388	0.6
181.12250	1.2
193.12279	0.7
193.58929	0.4
195.13850	1.7
203.05460	0.4
209.11714	0.9
211.13373	1.8
221.15472	1.9
235.08212	5.8
247.20648	1.6
248.38318	0.5
253.09288	8.2
273.18771	0.9
281.21436	0.6
291.19690	18.1
292.20084	1.2
293.21246	1.1
309.20721	45.6
310.21088	3.5
311.22153	0.8
340.07880	0.5
342.92499	0.4
407.19107	1.2
527.28809	2.1
545.29614	3.7
699.40125	3.0
717.34686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12899	0.5
57.03319	1.9
59.01256	5.2
61.95164	0.5
70.63843	0.8
70.64226	0.7
71.01254	5.3
72.99188	0.6
73.02817	1.1
78.90462	0.5
78.95783	1.0
83.01243	0.7
85.02827	1.5
87.00743	1.3
89.02331	3.3
96.95883	0.7
97.06496	4.0
99.00739	0.5
101.02342	3.9
104.56720	0.5
111.08055	2.6
113.02323	2.2
119.03410	1.1
123.08076	1.8
125.09621	20.9
126.09967	0.8
127.11208	1.1
143.03423	0.6
145.05003	0.7
151.11195	0.6
153.12601	0.5
161.02376	0.8
161.04482	1.2
165.12799	0.6
169.08693	0.5
169.12317	0.9
171.10194	100.0
172.10541	4.1
179.05505	0.9
179.07021	0.5
181.12326	0.7
183.13959	0.6
185.03786	0.5
187.09692	15.1
195.13907	0.8
197.11778	16.6
198.12201	0.8
209.11928	0.8
211.13336	3.1
235.08194	4.1
253.09241	10.8
254.09938	0.6
263.20135	1.1
273.14920	0.5
273.18433	1.2
291.19696	13.8
292.19897	1.0
293.21347	1.5
309.20740	38.0
310.21136	3.2
405.17697	1.5
407.19391	0.8
423.18747	4.7
527.28363	1.0
545.30042	1.6
548.77069	0.5
659.25592	0.6
699.39697	23.1
700.39954	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38940	1.6
57.03326	1.9
59.01256	55.8
70.49971	1.9
71.01251	24.2
72.99180	7.1
73.02830	3.3
75.00746	14.4
83.01319	2.0
85.02835	16.0
87.00762	6.0
89.02320	12.5
93.03367	2.1
95.01286	4.8
95.05013	1.6
98.20588	4.5
99.00774	7.3
99.04408	8.0
101.02323	6.9
103.00240	2.1
113.02335	19.6
119.03355	1.9
127.04013	1.9
139.12265	1.5
148.99477	1.5
165.05463	3.4
175.02429	3.1
179.03531	1.9
195.06569	2.5
201.07881	1.8
207.13876	3.4
209.11758	9.5
211.07596	2.4
230.58890	2.4
231.05099	2.6
233.06740	2.0
249.06151	16.3
251.12909	2.5
267.07199	13.4
269.13974	4.3
271.02463	2.2
309.08328	5.0
489.16498	2.3
501.19913	5.3
519.20850	34.3
519.27899	3.1
520.20990	5.3
609.14771	3.1
633.21570	1.9
681.26129	3.9
699.27264	100.0
700.27899	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	699.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.6
55.39658	0.8
57.03318	3.5
58.00477	1.6
59.01253	28.4
61.98690	1.6
68.99687	1.9
69.03327	1.1
71.01258	36.4
71.57884	1.3
72.99186	7.8
73.02818	5.8
74.02342	0.8
75.00748	14.2
78.95781	1.0
83.01250	2.9
85.02827	24.0
86.22150	0.7
87.00755	7.9
89.02323	11.0
93.03349	2.0
95.01276	5.5
96.95866	1.1
97.02785	1.4
97.99754	0.7
99.00751	10.0
101.02335	8.3
103.00292	2.2
108.02061	5.8
109.02856	3.5
111.00784	1.5
112.01560	0.7
113.02333	23.4
115.00266	2.7
117.01839	2.2
117.77530	0.8
119.03393	3.3
119.04895	5.9
120.05236	1.7
121.02856	2.2
123.00768	1.0
124.01530	1.3
125.02326	2.0
129.01848	1.9
131.03427	1.9
132.02094	1.4
133.02849	1.0
134.03639	3.4
135.04465	1.5
136.01535	2.0
137.02359	2.3
141.12675	0.8
143.03470	1.5
146.03711	0.8
149.02303	0.9
150.03119	1.7
151.03902	2.8
152.01071	7.3
153.01828	2.1
160.01602	5.0
161.02254	2.2
161.04568	1.1
161.06004	1.3
163.03955	4.1
164.04425	1.4
165.05473	2.2
173.05817	1.0
175.02423	3.2
175.03938	7.4
176.04433	0.9
177.05539	0.8
179.03380	1.3
179.05565	1.4
179.07018	1.7
181.08644	1.2
191.03604	0.9
191.05469	0.8
193.04962	1.8
194.05484	1.4
249.06206	3.9
267.07138	3.1
269.21228	2.5
283.09781	2.2
287.22293	19.4
288.22778	1.7
299.01898	0.9
313.10931	2.4
315.14417	4.4
331.11887	2.0
337.09238	4.4
338.09518	1.8
431.26538	2.8
449.27570	18.7
450.27850	2.8
503.14807	0.8
507.20200	2.4
519.20050	1.5
537.20844	2.5
538.21539	1.2
637.26605	1.0
655.21771	5.2
656.23077	0.8
699.34570	100.0
700.22858	1.1
700.34967	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	699.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.6
57.03335	3.3
58.00444	1.3
59.01256	21.5
61.98687	0.6
68.99681	1.6
69.03320	1.4
69.23078	6.7
71.01260	27.5
72.01540	0.8
72.99186	8.1
73.02819	3.5
75.00751	17.6
81.03336	1.2
83.01244	3.3
84.74062	0.6
85.02830	19.6
87.00748	7.1
88.98704	0.5
89.02316	5.8
91.83758	0.5
95.01270	5.3
97.02840	0.7
99.00161	0.9
99.00767	10.2
101.02334	7.3
103.00279	1.3
105.95679	0.5
109.02843	1.4
111.00756	2.0
113.02338	18.5
114.02653	1.0
115.00282	2.8
117.01826	1.5
119.03415	0.9
119.04926	1.4
121.02789	1.2
125.02334	1.5
129.01859	1.4
131.03340	0.8
134.03616	0.7
149.02357	0.9
151.03859	0.6
157.01338	1.0
163.03922	0.7
175.02357	1.9
175.03883	1.4
190.02675	1.4
205.04868	0.8
231.05180	0.8
249.06180	7.2
259.31467	0.6
267.07227	2.0
269.21298	2.8
282.26102	0.8
285.20639	1.0
287.22305	29.0
288.22601	1.9
337.09293	0.9
349.67047	0.7
431.26501	2.5
449.27594	21.9
450.27841	2.4
491.21344	0.9
655.27789	0.9
681.33453	2.4
699.34448	100.0
700.34808	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	699.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.1
59.01250	10.7
62.02999	1.2
71.01260	12.7
72.99196	2.5
73.02807	2.6
75.00757	11.3
83.01281	2.3
85.02824	14.0
86.19889	1.1
87.00762	3.9
89.02328	2.8
95.01266	2.4
97.84576	1.2
98.19839	2.9
99.00784	4.7
101.02329	4.1
109.02850	3.6
111.00745	1.5
113.02325	11.3
114.48288	1.3
119.04916	5.7
120.05291	1.8
121.02843	13.8
125.02339	1.9
125.21328	1.4
135.04448	2.0
136.01556	1.4
137.02357	2.3
145.02922	1.8
146.03680	1.7
147.04448	7.8
149.02275	2.2
149.60881	1.2
150.03156	5.2
151.03920	1.7
152.20689	1.2
153.01848	1.9
153.05472	6.3
158.03677	4.3
159.04419	11.4
160.01624	1.8
160.05200	20.8
161.06017	12.8
161.31403	1.6
162.03227	1.4
163.03937	9.3
164.04724	7.5
164.15761	1.2
173.06018	5.4
175.02495	1.9
175.03931	3.2
175.07568	14.8
176.04666	2.6
177.05505	8.1
178.06244	3.3
197.04504	20.7
197.06198	2.0
225.05554	2.0
225.09296	2.1
229.46555	1.3
229.48820	1.7
233.19522	1.3
237.05487	2.6
238.06400	2.9
239.07176	3.0
253.04947	1.7
254.05843	5.8
255.06660	6.2
256.31934	1.6
265.05014	1.4
265.08667	2.1
266.05865	10.6
267.06628	17.6
268.07281	2.0
269.08197	19.4
270.08887	4.7
281.08218	28.1
282.08917	7.0
283.09805	2.3
284.10556	4.6
296.07224	2.1
296.10541	2.3
302.08115	2.9
314.08011	4.8
316.09518	5.4
328.09610	2.2
371.15366	2.4
429.13452	3.8
432.15979	3.8
444.15891	8.6
447.18143	7.7
448.18573	2.2
459.18747	6.9
462.16904	3.0
474.16876	4.6
477.19232	80.4
478.19644	7.8
489.19238	100.0
490.19598	13.5
507.20261	50.1
508.20691	7.5
519.20306	31.9
520.20422	4.4
537.21393	5.4
669.26166	1.9
698.37213	5.0
699.38135	44.2
700.38837	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	699.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.2
57.03328	0.7
58.00469	0.5
59.01252	10.1
71.01254	13.5
72.99174	1.0
73.02824	5.4
75.00752	1.2
81.03339	0.4
83.01253	1.9
84.56971	0.4
84.99594	0.4
85.02824	4.8
86.03201	0.4
87.00743	1.4
89.02317	5.8
93.03308	2.8
95.01258	1.1
95.04926	0.9
97.02805	0.7
99.00755	17.7
100.01077	0.4
101.02322	10.4
102.64389	0.4
105.03345	2.2
107.04929	0.4
109.02797	0.5
113.02337	6.8
121.02847	4.1
122.03629	8.7
123.00826	0.4
123.04424	2.0
124.01528	0.7
125.02363	1.6
131.03397	1.5
132.02075	2.9
133.02869	2.1
134.03683	0.9
135.04517	0.5
136.01552	4.3
137.02324	0.8
137.05951	0.4
143.03410	1.4
145.02846	1.1
147.04420	4.3
149.02351	11.3
150.03137	66.3
151.03940	14.5
152.04253	0.5
154.02600	0.5
155.10638	0.5
161.02356	26.3
161.04390	5.0
162.03108	4.0
163.03891	0.6
164.04742	2.3
165.05487	100.0
166.05836	4.3
168.00519	0.6
173.04462	1.1
175.07590	0.6
176.04716	13.1
177.05486	2.4
179.03419	44.1
180.04146	5.9
181.04890	0.9
191.05508	3.9
191.07103	4.5
193.05035	0.4
194.05782	36.7
195.06554	29.3
196.06963	1.0
203.05568	0.6
209.08139	33.1
210.08479	1.4
233.06612	1.0
249.06133	1.0
259.08023	0.4
267.07068	0.8
293.08740	1.8
327.10895	1.7
342.11084	0.9
357.13440	4.8
358.13736	0.4
405.15591	3.8
459.15005	1.2
489.16144	98.4
490.16525	9.5
519.20685	1.7
537.21082	0.5
585.65155	0.4
597.97955	0.5
699.26575	5.1
700.27393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.6
62.65969	1.3
69.03319	1.5
69.29336	2.4
69.29738	13.7
71.01272	15.6
73.02831	6.8
73.78067	1.4
75.10332	1.5
80.78306	1.3
83.01250	2.2
85.02818	6.0
87.00727	1.7
89.02331	7.1
93.03320	1.9
95.04946	2.4
99.00767	16.2
100.99384	1.4
101.02331	9.3
104.43635	1.3
113.02342	4.1
121.02846	4.1
122.03627	6.3
123.04459	1.6
131.03400	3.3
143.00854	1.5
143.03427	2.0
147.04283	1.2
149.02368	7.7
150.03140	75.9
151.03915	11.8
161.02373	25.0
161.04494	5.2
162.02968	2.0
164.04700	2.2
165.01860	2.6
165.05498	100.0
166.05898	3.6
176.04720	11.6
177.05359	3.9
179.03430	42.7
180.04193	8.3
191.05537	5.2
191.07108	4.3
193.05028	1.7
194.05809	34.7
195.06572	48.3
196.06966	2.2
209.06143	2.8
209.08141	37.5
210.08420	1.7
233.06580	1.7
267.07095	1.5
323.29315	1.5
394.90814	1.4
405.15579	5.1
459.15222	5.6
489.16162	70.6
490.16678	7.5
662.25629	1.8
699.25586	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	699.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43328	0.7
57.03412	0.8
58.74805	0.6
59.01033	1.6
59.01346	5.4
61.39722	0.7
65.26514	0.6
71.00932	0.8
71.01358	6.9
71.57976	1.0
72.99266	0.8
73.02917	1.2
75.00832	0.9
78.95875	0.7
80.96474	1.0
85.02946	3.7
87.00837	1.2
89.02387	1.3
89.11031	0.7
93.03447	1.9
95.04994	0.7
96.95940	0.9
99.00872	1.0
100.75045	0.6
101.02456	2.5
108.02179	2.2
109.02854	6.6
111.00877	0.8
113.02471	2.7
117.03484	0.7
119.03551	0.7
119.05012	0.9
121.02855	11.0
122.03632	8.6
123.04543	2.3
124.01687	1.0
129.03488	0.7
132.02063	12.7
133.03017	2.4
134.03633	24.7
135.04471	3.1
136.01614	1.1
136.05307	1.2
137.02377	3.8
145.02959	1.1
147.04420	8.4
149.05998	5.7
150.03253	0.9
151.00339	0.8
151.04012	1.2
152.01210	3.0
154.02754	2.2
159.04539	1.1
160.01573	62.9
161.02235	2.7
161.06113	2.2
163.04056	1.0
163.11327	1.7
164.04843	0.8
165.05486	24.7
166.05914	0.8
174.03235	0.7
175.02470	2.8
175.03918	79.8
176.04272	3.7
177.05534	0.7
179.03560	1.1
179.07045	7.9
190.06377	0.8
191.07127	1.3
193.04993	19.5
194.05499	1.0
202.02895	0.7
203.07272	0.7
217.05132	1.7
225.00806	0.8
235.06131	1.2
271.02536	1.3
277.07312	1.1
285.11530	0.8
287.22418	0.9
298.12094	1.2
299.02008	1.3
313.14551	1.3
315.12375	3.1
316.12909	1.0
331.04489	1.0
337.09277	100.0
338.09586	8.1
346.14178	8.3
347.14948	5.1
361.16556	53.0
362.17081	3.9
461.07202	1.1
507.19244	0.9
518.18323	1.0
519.18774	1.9
537.20569	0.7
669.16583	0.9
699.25983	23.3
700.26422	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	699.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84039	1.8
55.19038	1.7
59.01251	15.2
60.99179	5.9
65.00169	1.9
70.88845	4.3
70.89177	2.5
71.01261	4.5
78.95754	2.5
82.96998	1.8
85.02818	2.2
88.98675	33.6
91.08947	2.0
93.03334	3.0
99.00776	2.3
100.71241	2.3
101.02380	2.3
107.01299	2.3
109.02888	1.8
113.02348	2.0
121.02876	2.9
125.02306	2.2
130.22771	1.9
149.02341	2.5
150.03131	5.1
151.00259	14.9
161.02332	4.1
163.00273	3.4
165.01852	8.8
165.05496	8.7
178.99860	8.6
179.03448	5.3
180.00055	2.1
180.04205	6.1
183.04401	1.7
191.01950	1.8
194.05742	7.4
195.06589	15.1
209.08128	7.8
225.07654	5.3
243.02905	7.9
255.02974	20.1
256.03326	3.2
271.02487	42.2
272.02863	5.0
283.02429	2.2
290.74838	2.0
300.02731	100.0
301.03470	41.8
301.06949	3.1
302.03589	3.3
319.07642	2.2
363.57172	2.0
374.04977	1.9
447.09283	9.6
489.16147	8.6
519.38055	2.0
609.14612	97.9
610.15063	13.2
677.53284	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	697.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18965	1.9
54.46092	1.5
54.74807	1.8
57.02438	1.7
57.03313	5.7
58.31966	1.7
59.01252	16.9
69.45177	1.5
70.77793	4.2
71.00893	2.4
71.01256	29.1
72.99186	6.2
73.02833	4.1
75.00748	35.6
78.95770	2.6
80.96402	2.1
85.02826	34.9
87.00759	9.4
89.02314	7.6
95.01264	4.0
99.00752	10.4
101.02319	5.1
113.02335	33.7
115.00256	3.3
134.39752	1.7
152.99489	2.9
157.01418	1.9
173.04419	3.2
175.02419	5.2
200.29126	1.8
225.11172	3.1
249.92007	1.7
251.20320	2.8
253.21701	3.2
277.21741	20.3
278.22089	2.1
279.23401	2.6
285.34070	2.0
375.16394	3.8
697.38104	100.0
698.38281	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	699.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84039	1.8
55.19038	1.7
59.01251	15.2
60.99179	5.9
65.00169	1.9
70.88845	4.3
70.89177	2.5
71.01261	4.5
78.95754	2.5
82.96998	1.8
85.02818	2.2
88.98675	33.6
91.08947	2.0
93.03334	3.0
99.00776	2.3
100.71241	2.3
101.02380	2.3
107.01299	2.3
109.02888	1.8
113.02348	2.0
121.02876	2.9
125.02306	2.2
130.22771	1.9
149.02341	2.5
150.03131	5.1
151.00259	14.9
161.02332	4.1
163.00273	3.4
165.01852	8.8
165.05496	8.7
178.99860	8.6
179.03448	5.3
180.00055	2.1
180.04205	6.1
183.04401	1.7
191.01950	1.8
194.05742	7.4
195.06589	15.1
209.08128	7.8
225.07654	5.3
243.02905	7.9
255.02974	20.1
256.03326	3.2
271.02487	42.2
272.02863	5.0
283.02429	2.2
290.74838	2.0
300.02731	100.0
301.03470	41.8
301.06949	3.1
302.03589	3.3
319.07642	2.2
363.57172	2.0
374.04977	1.9
447.09283	9.6
489.16147	8.6
519.38055	2.0
609.14612	97.9
610.15063	13.2
677.53284	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	697.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63697	0.4
59.01256	1.7
61.52800	0.4
69.42963	0.6
71.01279	2.2
73.02849	0.5
85.02842	1.1
94.07851	0.5
97.20060	0.5
97.79817	0.6
101.02339	1.5
113.02363	1.3
117.03357	1.3
119.04945	0.9
120.85023	0.5
121.02833	2.8
122.03618	1.1
123.00790	0.8
132.01303	0.4
132.02068	18.3
133.02811	2.2
134.03638	26.0
135.04201	0.8
137.02362	1.4
140.01408	0.4
143.04921	1.0
147.04427	1.6
148.05261	0.7
149.02341	0.9
149.06001	3.9
150.03156	4.2
150.06335	0.7
151.03905	0.6
153.05510	0.7
158.03633	2.6
159.04427	7.3
160.01575	78.6
160.05196	21.7
161.01985	3.4
161.05998	5.9
163.03923	4.0
164.04677	4.5
173.05960	2.8
174.06694	0.7
175.03926	86.7
175.07521	16.1
176.04288	5.1
176.07909	0.6
177.05453	5.0
178.02649	1.0
178.06256	5.2
179.03394	1.0
189.05498	0.6
190.06313	0.9
191.07091	1.8
192.07722	0.9
193.04996	22.3
193.08643	1.3
194.05342	1.5
217.05069	1.5
298.14651	0.6
315.12445	3.7
322.06650	0.6
328.72482	0.5
329.13937	31.4
330.14307	3.2
337.09277	100.0
338.09656	8.6
341.14102	0.9
359.15030	1.0
425.66528	0.5
441.71921	0.6
667.24023	20.6
668.24329	3.6
697.24908	16.8
698.24945	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	697.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03108	0.4
55.01759	2.2
55.75908	0.4
57.03330	6.3
58.00473	0.5
59.01251	13.5
68.99701	1.2
69.03326	0.5
71.01254	24.5
72.99179	5.8
73.02819	4.6
75.00751	25.1
83.01255	3.5
83.96852	0.4
84.02034	0.9
85.02825	31.0
87.00760	8.9
89.02342	2.1
93.03332	0.6
94.67330	0.4
95.01262	3.5
96.38864	0.5
97.02841	0.7
99.00764	8.4
101.02322	5.7
103.00237	0.7
107.54877	0.4
109.02848	0.7
111.00764	1.7
112.01530	0.7
113.02332	23.8
115.00256	2.8
117.01813	1.5
119.04920	20.2
120.05259	0.8
121.02786	0.5
125.02340	0.5
129.01859	1.2
134.03661	1.0
135.04364	0.6
137.02287	0.6
137.09621	1.2
139.00288	0.5
145.02827	0.6
149.02325	0.7
150.03122	1.7
155.10654	1.6
157.01372	0.9
157.12225	0.6
160.01561	1.9
163.03925	13.8
164.04292	1.1
165.05469	0.9
172.03162	0.5
175.02388	2.2
175.03922	2.5
177.05476	0.7
193.05011	1.0
201.06741	0.7
201.14912	1.3
230.15096	0.9
235.06133	0.5
255.02802	0.5
337.09271	2.6
359.28036	2.5
501.14233	1.6
521.33325	0.6
533.16351	0.5
632.31110	0.5
679.35303	1.1
697.36499	100.0
698.36902	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	697.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01601	0.9
61.98684	0.4
66.14040	0.3
69.03381	0.3
69.74151	1.8
71.01270	1.0
83.01250	0.4
85.02811	0.4
89.02322	0.5
98.19798	0.6
101.02319	0.4
113.02374	0.3
116.92784	0.4
119.03430	0.3
121.02844	1.9
151.03833	0.3
152.99554	0.4
161.04364	0.3
162.06799	0.6
163.07256	0.3
171.10176	3.5
177.09152	0.5
183.23488	0.3
191.03490	0.9
193.74406	0.3
202.03906	0.3
209.04536	1.3
253.09241	0.5
273.44672	0.3
289.17990	1.7
292.20239	0.3
307.19086	0.6
309.20670	0.3
310.21051	0.4
593.13489	0.9
637.43890	0.4
721.27216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.3
59.01250	12.0
61.98686	1.2
68.99696	0.9
69.03330	3.9
69.52486	2.0
69.52901	3.8
71.01257	11.0
72.99191	1.8
73.02814	3.5
75.00748	3.0
83.01260	1.7
85.02808	5.5
87.00758	0.8
88.98667	1.3
89.02322	5.2
89.03803	0.7
93.03329	0.8
95.01208	0.8
99.00739	2.9
99.04366	0.9
101.02352	3.9
103.03869	0.7
109.02849	1.2
113.02317	4.2
117.03333	0.8
117.84220	0.7
119.03424	0.8
119.04900	3.3
121.02849	3.8
121.10116	1.4
122.03628	1.6
122.51888	0.7
123.04398	1.9
124.01555	1.0
125.02329	1.7
132.01152	1.4
132.02074	17.8
133.02879	1.8
134.03635	24.8
135.04381	1.5
136.05217	1.1
137.02333	1.3
137.05984	0.9
143.04822	0.8
145.02890	1.0
145.45667	0.8
147.04407	2.3
149.02327	2.7
149.05997	6.0
150.03148	5.6
151.03935	1.5
152.01074	1.2
155.84639	0.8
158.03615	1.9
159.04396	8.1
160.01576	78.6
160.05199	20.9
161.02094	3.3
161.04559	1.9
161.05942	6.7
163.03947	5.8
164.04692	5.0
173.05948	2.6
175.03929	85.1
175.07529	18.1
176.04333	5.2
176.07864	1.1
177.05519	5.2
178.02574	2.1
178.06288	5.4
179.03365	1.1
179.10681	4.7
181.08636	0.9
182.02356	0.8
185.00842	2.9
190.02621	2.7
191.03650	0.7
191.07047	1.6
193.04993	26.0
193.08539	1.9
194.05298	2.4
205.05023	4.4
205.12268	5.9
209.11887	1.0
215.09148	0.8
217.04955	1.4
223.06114	2.2
223.13400	1.1
235.05971	0.9
249.06082	0.8
255.02773	0.9
265.07208	1.1
277.07220	1.1
289.07260	0.9
315.12186	3.9
322.07010	1.0
323.07251	1.0
329.13632	33.4
330.14236	3.7
337.09280	100.0
338.09604	8.1
342.15683	0.9
345.13376	4.6
367.10229	5.5
443.19574	1.4
535.19525	1.4
653.33618	1.1
679.32532	0.9
697.24298	20.7
697.34387	3.6
698.24786	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	697.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.4
59.01255	8.0
65.25666	1.0
66.28800	1.2
69.03344	4.2
69.30684	7.3
69.31107	4.0
71.01250	6.2
72.99174	1.1
73.02827	1.6
75.00753	1.9
83.01267	1.4
85.02854	4.2
88.98714	1.1
89.02328	3.7
98.20498	2.2
101.02345	3.5
108.02075	1.1
111.04407	1.1
113.02319	2.7
119.03457	1.6
119.04924	1.9
121.02856	3.0
122.03643	1.6
123.04387	1.3
125.09618	2.1
128.38672	0.9
129.13029	1.1
132.02069	19.4
133.02876	1.4
134.03653	25.3
135.04428	1.6
137.02367	2.4
144.75381	1.0
145.02824	1.4
146.03525	1.2
147.04459	2.7
149.02319	1.3
149.06029	4.1
150.03159	3.5
151.03957	1.5
153.01833	1.1
158.03668	2.9
159.04443	6.3
160.01582	77.0
160.05217	21.5
161.02032	4.3
161.04578	1.0
161.06009	5.6
163.03923	5.1
164.04694	3.4
164.38710	1.0
169.08519	1.4
173.06071	3.1
175.03934	88.4
175.07532	15.0
176.04294	6.4
177.05544	4.6
178.02615	1.7
178.06296	4.7
179.03346	1.2
181.08650	9.0
183.06615	1.3
191.07112	1.7
193.05008	22.4
194.05379	2.0
199.09691	10.8
205.05048	1.9
217.05035	1.6
277.06906	1.2
315.12402	4.2
323.07739	1.3
328.13034	1.4
329.13858	34.5
330.14453	2.6
337.09302	100.0
338.09668	9.5
345.13321	5.8
447.93539	1.2
459.15424	1.5
477.16199	2.9
697.24268	28.9
698.24762	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	695.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	3.6
59.01253	38.0
60.95855	2.9
68.21900	3.0
70.77527	8.9
71.01266	6.5
73.02865	3.8
78.95782	6.8
83.12067	2.5
85.02789	3.7
89.02261	3.1
99.00717	3.5
110.51605	3.1
113.02318	3.5
151.00323	3.1
151.03946	5.9
151.07552	14.2
152.08397	4.7
157.11780	3.3
162.06781	5.6
163.11247	3.9
165.12799	6.1
171.10141	5.4
177.09166	4.1
179.14323	2.9
181.12294	3.2
183.13777	2.8
189.35698	3.0
207.10576	2.6
209.11845	3.7
209.15372	17.3
211.13330	5.7
247.20555	10.2
291.19629	53.8
309.17072	18.1
309.20642	100.0
310.17383	4.0
310.20920	6.3
469.16864	3.2
523.89703	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87199	3.4
54.43578	3.6
59.01257	20.3
69.04391	3.8
69.28575	15.8
69.29007	21.3
71.01266	6.9
89.02358	4.3
94.36903	3.4
98.19794	4.9
100.57138	3.4
111.08054	18.3
113.02314	4.0
127.48396	3.6
142.30946	3.6
169.12355	4.8
197.11769	79.4
198.12114	4.4
199.13345	4.2
211.13353	10.0
263.20016	5.1
291.19601	23.0
293.21021	4.8
309.20709	100.0
310.21133	10.8
311.22342	21.2
385.26382	3.9
385.42523	4.2
385.80463	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	695.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33871	6.4
57.64640	7.0
58.70636	7.0
59.01247	65.2
60.33683	8.8
61.98701	20.9
71.01255	16.5
71.58041	11.0
78.95789	15.7
83.54618	7.6
87.94025	8.4
89.02294	9.9
101.02267	8.7
108.16043	8.0
111.08054	16.6
113.02359	11.8
171.10188	9.1
183.16602	7.3
197.11815	67.2
209.11504	7.9
211.13284	11.8
234.12154	8.7
285.05844	9.8
291.19684	15.9
309.20673	100.0
412.01834	7.9
706.48889	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	695.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60073	0.6
59.01254	100.0
60.01592	1.1
64.95863	0.6
70.89444	1.7
76.45635	0.7
77.52545	0.7
78.95781	12.9
80.96385	0.7
83.27409	0.7
112.45181	0.6
114.00677	0.7
133.57536	0.7
149.21967	0.8
192.43649	0.6
202.49506	0.6
205.15903	0.7
279.23306	1.1
293.73770	0.8
653.29614	1.1
654.45404	0.7
695.31006	51.3
696.31622	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	695.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.3
56.66782	0.6
57.03334	5.5
58.21235	0.6
59.01253	15.0
61.02514	0.8
69.03340	1.2
71.01259	27.8
71.57738	1.2
71.58163	1.2
72.99174	6.9
73.02822	6.0
75.00750	21.0
83.01276	3.4
85.02830	30.0
87.00760	7.9
89.02323	4.0
93.03323	0.8
95.01278	3.5
95.33287	0.6
96.95920	1.2
97.02860	1.0
99.00765	12.6
101.02334	6.6
103.00230	0.8
109.02837	2.0
111.00784	1.4
112.01538	1.0
113.02338	22.5
115.00258	2.6
117.01830	1.6
119.04919	1.6
119.08586	1.1
123.00766	1.3
125.02398	1.2
127.03906	1.2
129.01828	1.0
134.03629	0.8
137.02333	4.2
140.29068	0.8
145.02879	1.5
149.02341	0.9
151.00294	9.0
151.03827	1.3
153.01843	1.2
157.01347	1.3
160.01613	1.6
163.03995	1.4
166.02640	23.7
167.03322	2.2
173.04533	1.4
175.02393	2.1
175.03926	1.7
177.01880	1.2
181.03401	1.6
181.04996	27.3
182.05283	0.9
187.13301	0.9
190.06284	0.9
191.03481	2.1
191.05508	0.8
192.04228	0.8
193.05023	1.0
205.05057	2.7
206.05811	2.2
221.08192	1.5
235.06151	0.9
267.06927	0.8
309.07486	1.0
310.08228	0.7
357.26373	0.8
369.09845	0.9
372.12216	1.2
384.12238	1.7
387.10175	4.6
387.15353	3.8
388.11011	1.2
392.08438	1.0
399.14536	13.8
400.14951	2.1
402.13275	2.5
417.15604	21.3
418.16058	2.7
450.37460	0.9
490.60394	0.9
519.31915	1.5
531.18579	0.7
662.13336	1.0
665.24329	3.4
666.24792	1.0
677.24597	6.2
677.34430	1.6
678.24115	1.2
695.25830	7.3
695.35205	100.0
696.25702	2.3
696.35706	18.2
721.68365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.8
57.03323	4.9
58.00467	0.8
59.01254	13.4
60.01570	0.6
64.55531	0.5
68.08354	0.5
68.99695	0.9
69.03319	1.0
71.01256	25.1
72.99186	6.0
73.02818	6.7
75.00744	22.3
75.39173	0.5
76.80186	0.5
83.01264	2.5
83.04874	0.6
84.02071	0.6
85.02824	28.9
86.03237	0.7
87.00749	7.6
89.02317	4.0
93.03325	0.8
95.01263	3.6
97.02836	0.8
99.00756	11.6
99.01353	1.0
101.02332	5.6
103.00308	0.6
109.02838	1.3
111.00784	2.8
113.02333	22.6
114.02653	0.8
115.00240	2.6
116.00999	0.8
117.01836	1.8
119.04931	1.3
119.08494	0.8
123.00805	1.1
124.01532	0.6
125.02343	1.1
125.41310	0.5
127.03915	0.6
129.01875	0.9
130.93207	0.5
134.03673	0.6
135.04393	0.6
137.02339	4.3
139.00299	0.7
139.03864	0.9
139.11203	0.7
140.41411	0.6
141.12819	0.6
145.02850	1.2
145.04959	0.8
146.05357	0.6
147.04257	0.6
149.02330	0.7
151.00279	7.4
151.03955	0.8
152.04669	1.1
153.01868	0.9
153.05504	0.6
157.01350	0.8
160.01591	1.1
161.02390	1.1
161.04535	0.8
163.07567	0.9
165.01836	0.7
166.02629	22.3
167.03294	1.6
173.04477	1.2
175.02580	0.9
175.03935	2.4
177.01854	1.3
179.07111	0.6
181.04982	23.5
182.05316	1.3
182.97523	0.5
189.05475	0.6
190.06392	0.5
191.03447	1.5
191.05434	0.9
193.04950	0.8
205.05002	1.6
206.05730	0.8
217.05064	0.7
221.08104	1.5
221.11668	0.6
229.30930	0.8
277.09726	0.6
309.07678	0.6
310.08167	0.5
353.10318	0.7
357.26633	1.3
369.09830	2.0
373.13452	0.7
384.12280	1.3
387.10352	3.7
387.15063	3.1
388.11356	0.6
399.14444	12.4
400.14771	2.1
402.13077	2.7
417.15540	18.3
418.16028	2.4
519.31848	1.1
545.20660	0.7
665.24280	4.0
677.24609	4.4
677.34387	1.4
678.24084	0.9
695.26404	6.6
695.35175	100.0
696.25366	1.5
696.35437	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47455	2.6
59.01249	16.3
59.01507	3.0
71.01258	7.9
73.02811	12.3
85.02834	6.1
87.30916	2.3
89.02292	3.1
94.02864	23.6
96.95881	10.6
99.00739	5.8
106.62414	3.0
108.04448	4.8
110.05998	8.7
113.02341	3.6
120.08083	3.6
122.06002	12.7
124.03943	4.3
134.03607	3.0
138.05504	10.4
148.07497	3.0
150.05513	9.0
151.03937	3.6
154.85718	2.7
161.04649	3.9
174.05508	5.9
193.05058	5.9
201.10262	12.7
213.10147	4.2
215.11823	3.6
227.11813	3.4
229.09804	15.8
230.64021	6.0
236.09340	4.6
239.11877	17.6
249.06133	4.3
257.12875	5.5
263.08301	3.5
264.09055	6.7
265.09750	7.7
267.11304	2.7
273.12299	4.0
277.09818	3.4
279.11349	11.0
280.12085	4.2
283.10760	3.2
291.11426	7.3
292.08505	9.2
293.09311	5.8
301.11844	23.1
306.10071	3.2
307.10876	26.0
308.11646	7.7
319.12997	66.0
320.13205	6.3
340.10867	3.9
340.82758	2.9
343.12997	4.8
350.09082	10.0
351.09909	28.1
352.10345	4.5
355.13147	3.1
372.13135	4.0
386.15045	8.0
388.16742	4.0
404.16040	8.7
405.17160	3.3
429.16742	4.5
430.17679	6.3
432.15344	5.0
437.15921	4.2
444.18478	3.2
446.17065	5.0
447.18048	6.5
448.18530	4.3
480.21475	3.2
491.16232	4.7
492.17722	12.5
506.19254	21.7
515.21472	7.1
527.22937	13.6
533.22351	12.0
538.21960	41.2
539.22308	4.1
545.24213	14.6
546.25262	3.7
551.22968	5.8
557.24231	4.7
559.26428	3.9
569.24445	17.0
570.24323	3.9
571.22058	5.4
587.25128	43.5
588.25574	9.0
603.24799	16.7
604.24829	3.9
613.22693	12.0
619.27917	5.6
622.22101	3.3
631.23981	57.7
632.24432	13.8
635.27960	4.3
645.25623	26.2
646.26105	5.8
654.05823	3.3
663.26721	100.0
664.26941	22.4
677.28400	7.9
687.97040	3.5
695.28900	30.2
696.28827	9.1
700.01434	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	695.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.9
57.32557	1.1
59.01263	7.2
61.14805	1.1
67.05417	1.4
69.03327	12.6
70.06516	3.6
70.06924	2.3
71.01248	8.4
72.99184	2.0
73.02816	2.5
75.88074	1.4
79.86919	1.2
83.01290	1.9
85.02831	6.4
89.02328	2.4
99.00739	2.5
101.02321	3.4
108.02051	3.2
109.02850	1.5
111.04408	3.4
113.02314	5.1
117.03328	1.8
119.04903	2.8
121.02922	2.6
125.09632	8.8
132.02075	19.7
134.03638	25.4
135.04416	1.3
137.02354	1.8
145.02881	1.4
149.02379	1.2
149.05966	4.9
152.01039	3.3
153.01849	4.3
160.01582	92.6
161.01978	3.5
163.03967	1.6
168.04172	6.5
169.08606	7.8
169.12239	1.3
171.10226	1.4
175.03932	97.8
176.04309	4.6
178.02669	1.9
181.08643	29.7
183.06580	5.0
190.02657	1.8
193.05032	22.0
199.09698	50.2
200.10152	2.5
205.05029	1.8
217.05005	2.2
222.05299	2.7
263.07266	1.8
264.07690	1.1
267.06601	1.4
269.08133	3.4
277.07297	1.8
279.06567	3.2
281.08191	4.2
282.09006	1.4
293.08130	2.2
294.08865	3.1
297.07684	12.6
307.09808	1.3
308.10477	2.1
309.04349	2.2
309.07776	22.9
309.11392	3.8
312.10031	13.5
313.10556	1.6
323.09171	2.0
324.09991	12.8
327.12369	20.2
328.12775	2.3
337.09286	100.0
338.09784	7.2
339.12375	16.4
459.14890	6.4
477.16241	13.3
478.16580	1.7
496.17746	1.3
641.24097	1.4
695.23303	37.2
695.33881	3.4
696.23810	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	695.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65737	0.5
59.01255	5.9
61.98708	1.2
71.01260	7.4
71.17247	0.5
71.37695	0.9
72.99170	1.1
73.02827	1.0
75.00771	1.5
78.95783	0.8
80.96394	0.6
83.01314	1.1
83.04903	0.6
85.02814	3.7
87.00765	1.9
89.02332	2.9
93.03361	0.8
95.01250	1.0
99.00800	1.4
101.02341	2.5
109.02857	2.3
111.00729	0.7
111.04431	0.8
113.02319	3.1
115.00256	1.2
117.03348	1.5
119.03410	0.6
119.04925	2.1
121.02869	2.1
122.03683	0.6
123.00821	0.9
123.04414	0.6
125.02308	1.1
132.01047	0.7
132.01334	0.4
132.02072	21.8
133.02881	2.7
134.03639	30.5
135.04375	2.1
136.01569	38.5
137.02414	3.2
145.02866	1.5
147.04436	0.8
149.02364	0.7
149.05984	6.0
150.03152	0.7
151.03925	39.5
152.04262	1.4
159.04373	1.3
160.01582	90.0
161.02089	4.2
162.03143	0.8
163.03912	2.3
164.04736	0.6
165.05557	0.6
175.03934	98.8
176.04453	4.4
177.05399	1.1
178.02669	2.0
179.03447	1.5
188.04689	0.6
189.05463	1.0
190.02763	0.7
190.06206	0.9
191.07063	2.5
193.05008	24.2
194.05402	1.0
195.06622	0.6
202.02744	0.7
205.05054	1.0
209.11765	1.2
217.05063	2.5
232.99149	0.6
235.06142	1.1
267.06821	0.8
279.06827	1.3
279.23404	0.6
294.09027	0.8
297.11148	0.8
298.29688	0.5
312.10162	1.7
313.10660	1.1
327.12366	7.4
328.12564	0.6
337.09308	100.0
338.09683	7.0
342.11084	1.2
343.11826	10.1
344.12189	1.2
357.09399	0.9
357.13440	11.4
358.13519	1.2
361.49213	0.5
367.10516	0.8
492.34497	0.6
651.32367	2.3
695.23492	23.5
695.35315	1.9
696.23602	4.6
696.34363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69908	0.6
59.01239	1.5
62.21822	0.6
65.00202	0.8
69.23172	0.7
69.23508	7.1
74.33047	0.6
76.36440	0.6
79.32400	0.6
85.02840	0.8
89.02294	0.8
93.03332	0.9
107.01293	0.7
109.02798	0.6
109.57609	0.7
113.02350	0.9
117.03393	0.8
128.76697	0.5
137.02368	0.6
151.00272	2.4
154.52971	0.6
155.04919	0.7
159.04405	0.7
167.04774	0.7
171.04456	0.6
183.04420	3.0
185.05963	0.7
187.03934	0.8
195.06529	1.0
204.91476	0.6
211.03908	2.4
227.03442	10.8
228.03896	1.4
229.04968	0.6
239.03424	0.7
255.02969	50.4
256.03424	4.0
257.04385	1.0
269.04599	0.6
271.08197	0.8
281.04593	0.9
283.02469	100.0
284.03146	26.6
285.04037	75.6
286.04391	4.5
289.07108	1.0
297.04102	1.6
299.05389	1.0
326.04398	0.7
327.04984	4.4
351.05090	0.9
446.08524	14.1
447.09238	11.6
489.10391	33.3
490.10361	3.0
511.12164	0.8
531.11255	4.4
651.15601	34.2
652.16113	4.4
695.26868	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.4
59.01250	6.4
59.92300	1.0
69.03326	9.2
69.96859	6.2
71.01276	7.9
72.99191	1.3
73.02806	1.6
75.00751	1.9
83.01254	1.5
85.02840	3.7
87.00719	1.3
89.02338	2.9
99.00778	2.3
99.39317	1.0
101.02333	4.5
105.01773	1.0
111.04407	2.4
113.02363	5.2
119.04922	2.2
121.02857	3.3
123.04402	1.3
125.09631	6.5
131.99973	1.1
132.02072	23.2
133.02887	1.7
134.03644	25.2
137.02406	1.1
143.03444	1.4
149.06001	5.6
153.01862	2.7
155.10760	1.3
160.01581	92.2
161.02040	4.2
163.03932	2.2
168.04218	4.1
169.08597	5.1
175.03938	92.8
176.04396	3.0
178.02617	1.4
181.08640	22.5
183.06581	4.7
190.06435	1.3
193.05013	20.3
194.05507	1.6
199.09692	36.8
202.02588	1.0
205.05032	2.1
217.04871	2.4
222.05359	1.5
235.05672	1.3
251.07159	1.5
263.07062	2.4
267.06805	1.8
268.07675	1.3
269.08218	2.6
279.06747	2.5
281.08200	3.6
282.08875	1.1
291.06436	1.6
293.08298	2.3
294.09033	1.9
295.09833	1.2
297.07745	10.9
309.07727	16.2
309.11414	4.0
310.08163	1.6
312.10135	10.0
323.09338	2.6
324.10046	10.3
325.10437	1.5
327.12366	18.4
337.09302	100.0
338.09619	8.0
339.12378	15.6
340.12567	1.3
459.15137	5.8
477.16232	10.5
695.23193	31.5
695.33228	2.8
696.23682	6.7
696.34265	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	693.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.2
59.01255	29.7
61.98709	2.3
69.03355	2.0
69.23229	12.2
71.00889	0.8
71.01253	19.1
72.99183	2.1
73.02825	3.7
75.00757	1.1
78.95780	4.7
83.01252	2.1
85.02815	5.1
87.00755	3.3
89.02322	12.6
95.01268	1.5
97.02833	2.2
98.20576	2.0
99.00774	2.1
101.02321	10.5
111.04428	2.6
113.02347	6.2
119.03389	3.5
119.08560	1.9
122.60006	0.9
125.02352	2.6
125.09610	1.4
129.85165	1.1
143.03392	1.6
152.99489	2.3
161.04510	2.1
163.03789	1.3
164.31920	1.1
171.10191	53.1
172.10597	2.3
179.05536	3.4
181.08615	1.6
183.10216	2.7
183.13866	3.3
195.13828	11.8
202.94861	1.2
208.10536	1.4
209.11778	2.3
211.13342	48.4
212.13756	2.5
221.06665	1.0
225.11252	1.7
235.08133	5.1
253.09309	4.3
257.61957	1.0
271.41980	1.1
277.21750	13.6
278.22183	1.4
295.22791	100.0
296.23190	8.3
381.13208	1.1
397.13599	19.0
398.13922	1.7
407.19009	2.8
415.14621	21.7
416.14783	3.0
429.21591	1.3
447.22131	4.0
493.24197	1.9
511.25409	1.6
663.46875	1.1
675.34528	2.5
693.35712	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	695.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59777	0.8
59.01236	1.4
65.94381	0.8
67.89376	0.9
67.96501	0.8
69.85093	6.0
87.81418	0.9
96.95898	1.8
101.93275	0.9
107.01243	0.9
108.02048	1.6
137.02411	1.1
139.93565	0.9
151.00311	4.7
163.00232	1.2
164.01080	1.2
165.01840	3.1
178.99774	3.3
180.04185	1.0
195.06508	2.3
199.03891	1.2
211.03851	0.9
226.02626	1.9
227.03380	2.1
243.02980	8.9
244.94237	1.1
254.02345	1.7
255.02972	26.0
256.03491	2.0
267.54340	1.0
271.02487	52.2
272.02872	4.7
299.01953	1.9
300.02747	100.0
301.03268	11.3
314.58725	0.9
465.97040	0.9
493.14056	1.0
541.25061	0.9
609.14441	1.3
651.15704	54.0
652.15942	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.5
63.02272	0.7
65.00201	0.8
70.00497	3.0
82.72324	0.5
83.01258	1.1
90.49051	0.5
107.01283	1.7
108.02060	1.8
109.02862	0.8
121.02847	1.5
124.30291	0.6
135.00790	1.0
142.40558	0.5
143.03340	0.6
148.01576	1.6
151.00317	6.6
152.99559	0.6
153.01917	0.6
163.00305	2.4
169.01347	0.9
178.99809	4.6
187.03922	1.0
197.11786	1.5
199.03981	1.3
211.03989	1.3
226.02719	1.4
227.03438	3.3
243.02998	11.1
244.03464	1.1
254.02249	2.7
255.02991	31.0
256.03485	2.2
271.02499	66.9
272.02911	5.1
273.03986	0.7
283.02551	1.3
299.02191	0.7
300.02771	100.0
301.03476	25.7
302.03909	1.1
309.20691	1.1
311.22388	0.6
327.21616	0.6
343.04898	0.7
693.29181	44.3
694.29456	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	693.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03320	1.1
58.00472	0.7
59.01256	17.4
61.98713	0.4
69.03316	1.2
69.43633	2.3
69.44041	0.8
71.01257	12.8
71.03307	0.4
72.99186	1.3
73.02823	2.0
78.95770	0.7
83.01257	1.5
85.02834	2.6
87.00753	2.4
89.02322	11.1
95.01266	0.8
97.02845	2.1
99.00754	0.9
101.01698	0.6
101.02328	9.5
111.04372	0.7
113.02338	5.0
113.09598	1.4
119.03382	3.8
125.02333	3.5
126.39758	0.3
131.03378	0.6
139.11026	0.3
143.03413	1.6
161.04477	2.0
171.10161	2.9
179.05553	2.0
179.14378	1.1
181.12334	0.6
183.10245	0.5
185.04521	0.4
195.13860	13.3
196.14235	0.6
208.63446	0.4
209.11690	0.6
211.13373	2.4
221.06616	1.1
231.44460	0.4
232.06792	0.4
233.22752	0.5
235.08150	3.0
246.71069	0.4
253.09349	0.9
263.07629	0.5
275.14819	0.7
277.21704	11.9
278.22128	0.9
287.07663	0.8
295.22787	100.0
296.23132	8.0
305.08859	0.6
323.09836	0.5
354.55829	0.4
359.38022	0.4
397.13513	18.9
397.27917	0.4
398.13675	1.7
415.14578	18.9
416.14914	1.5
471.34439	0.4
511.24939	0.4
633.38678	0.6
651.40234	0.7
693.35223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	11.9
71.01276	7.7
73.02824	3.6
75.00734	3.3
75.79935	1.6
81.03901	1.5
83.01293	2.1
85.02838	4.9
87.00773	2.8
89.02325	3.6
93.03333	2.8
94.02869	16.8
95.76078	1.6
96.95885	1.9
99.00735	3.0
101.02308	3.0
109.02820	2.8
110.06064	2.0
111.00770	2.7
113.02359	6.5
119.04939	9.1
122.05973	3.0
124.03947	2.8
134.03639	4.3
135.04367	2.0
136.01575	9.4
136.03989	1.8
137.02193	1.8
138.05510	7.6
141.31631	1.4
145.02805	1.9
149.02319	1.7
150.05499	2.4
151.03938	13.5
152.07068	2.0
160.01596	2.0
161.02405	2.5
161.04692	2.2
163.03929	4.5
163.06064	2.9
165.05525	1.7
173.04454	2.5
175.00235	1.8
175.03885	1.9
176.04669	2.8
178.99078	1.5
179.03433	2.3
190.02641	5.8
191.05463	2.2
191.07121	1.7
204.06586	1.9
205.05051	3.6
212.05916	2.1
216.89130	1.6
225.10573	1.7
228.08347	1.6
237.10294	2.9
239.08290	3.6
249.06647	1.9
249.10144	3.6
251.08650	1.8
252.12639	1.8
253.09851	3.1
255.11404	1.9
263.08200	14.1
264.08969	2.0
265.09851	3.3
267.07727	3.5
268.08298	1.9
268.12115	1.6
276.08997	3.4
277.09827	13.0
278.10699	7.8
279.11307	7.2
280.08429	3.1
281.09427	7.9
291.07785	56.2
292.08182	6.4
295.10892	9.5
296.11615	4.7
303.13568	2.9
305.09317	10.6
306.10110	61.4
307.10684	11.8
308.08069	2.8
320.14215	1.8
321.12421	7.0
323.10678	2.4
337.08722	1.7
338.09149	8.3
338.12753	2.1
340.10922	2.0
341.11554	1.8
342.12161	1.8
350.09106	91.2
351.09390	13.6
357.13501	14.4
365.11426	19.8
366.11682	3.9
367.10287	2.6
370.11771	4.0
371.12585	2.6
372.12881	2.0
373.14130	2.0
383.12863	3.0
385.14795	2.2
386.14935	3.6
390.14810	3.1
398.15189	2.6
412.13086	5.8
414.14639	4.0
415.15298	2.0
416.16046	7.0
427.15891	2.5
428.16165	4.6
430.14044	13.8
444.15747	3.9
445.16400	15.3
446.17212	11.1
448.14728	3.0
459.13535	2.1
460.18674	4.2
474.20047	1.9
476.18225	2.6
477.15237	3.2
478.19528	4.5
489.15915	7.4
490.16272	22.7
492.21445	6.1
505.18686	8.2
511.19803	2.5
513.23419	2.5
521.18066	9.9
522.18695	10.9
536.20642	3.3
537.21021	6.6
567.22845	4.6
585.23450	32.3
586.23553	5.4
599.25159	8.1
600.25427	2.7
603.17291	2.3
617.26215	23.4
618.26532	4.8
629.22620	13.8
630.22455	3.0
633.26062	3.8
643.24011	3.3
649.28516	2.4
651.22772	2.9
661.25201	100.0
662.25836	19.3
675.27008	20.6
676.27130	6.6
693.27588	36.2
694.28503	8.8
714.50244	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	693.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29065	2.1
56.28589	2.0
57.03349	2.4
59.01256	9.2
61.14350	1.8
71.01263	9.5
73.02821	2.8
76.38870	2.2
85.02835	5.1
89.02338	3.6
96.95908	9.7
98.95506	3.0
99.00768	4.5
101.02354	3.9
106.06554	2.8
108.04417	2.2
113.02351	6.6
116.92776	2.4
119.04906	17.5
121.02855	3.5
122.05989	10.9
132.02084	4.2
133.02878	5.0
134.03644	37.0
134.06039	5.9
136.79164	2.1
137.02368	6.1
138.05510	2.6
140.07103	7.9
145.02875	7.8
146.06039	2.1
148.03964	2.6
149.04814	4.0
149.05998	11.1
152.07072	3.0
160.01561	29.9
160.03949	2.7
161.04689	5.3
162.05447	3.0
163.03951	18.5
164.07100	2.9
166.05009	3.2
175.00307	2.3
175.03920	29.1
176.04462	3.1
178.02638	21.6
190.02673	5.0
190.04996	2.9
191.05577	3.0
193.04985	79.4
194.05322	4.1
204.06567	7.1
205.05005	8.5
207.06581	2.4
211.08664	2.6
212.05876	10.7
220.30750	2.3
225.06627	3.4
226.07471	2.9
229.09782	3.0
229.45589	3.9
237.10240	10.8
238.11119	6.4
239.08148	11.2
240.09000	5.2
241.09779	3.9
243.11383	3.4
251.08046	2.8
251.11891	4.6
252.09084	2.5
252.12683	6.1
253.06128	9.7
253.09869	10.1
253.13481	12.2
255.11343	5.3
264.09244	2.4
266.07034	3.8
267.07745	15.1
267.11288	7.6
268.08554	9.9
268.12064	7.5
269.08243	3.4
269.12891	3.6
271.10791	6.5
273.12473	3.8
279.07645	3.2
279.11243	3.3
280.08493	11.5
281.09280	19.5
282.09442	3.4
283.10611	2.3
285.08896	3.2
285.12396	2.2
295.10880	32.5
296.11655	23.8
297.07681	7.3
297.12354	12.9
299.02078	3.8
299.10382	8.8
299.95282	2.7
301.03561	2.4
301.11951	6.4
303.13571	7.7
309.07803	17.7
312.09970	10.0
313.11838	6.8
323.08688	2.7
324.09979	15.5
327.12494	29.8
337.09305	28.6
338.09610	4.3
339.12549	46.2
340.12729	7.8
341.11453	5.9
367.10190	4.9
371.12485	6.2
372.13309	4.3
373.14117	16.6
390.14645	5.9
404.15833	3.1
434.13416	3.5
466.16434	3.4
508.17349	4.2
511.19754	31.2
512.19977	6.6
531.15106	68.4
532.15082	10.9
595.22382	2.9
599.25580	2.5
613.23187	6.1
631.23993	14.3
633.25787	27.2
634.25470	5.2
643.24078	9.0
649.25415	5.1
661.24036	3.3
669.06549	2.9
675.26715	100.0
676.26953	23.4
693.27679	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	693.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.7
71.01252	3.4
71.57559	1.6
71.57947	3.6
85.02808	1.8
87.00766	1.6
96.95889	1.9
96.96854	2.1
106.06513	2.7
108.04416	4.5
110.05965	1.9
113.02290	2.0
117.03416	1.9
119.04926	2.0
121.05232	1.8
122.06020	16.3
134.03682	2.3
134.06021	18.4
135.06778	5.5
136.01544	2.4
136.07544	7.2
138.05527	2.9
140.07063	26.2
142.18248	1.7
144.04405	3.3
145.02844	5.8
146.06035	2.9
148.03958	3.0
148.07700	1.9
149.04683	6.3
149.05815	1.9
150.05518	5.0
151.03915	2.4
152.07088	2.8
160.01630	2.6
160.03951	3.0
161.04707	8.0
162.05489	16.8
163.06273	1.7
164.03419	6.4
164.07103	11.5
166.05051	6.3
167.05791	3.5
168.66017	1.6
172.03932	3.2
174.05551	3.3
175.03920	4.9
178.02747	3.1
178.54626	1.6
187.08696	2.5
190.05083	2.0
191.07085	2.3
192.54343	1.6
193.04984	6.4
193.44876	1.9
204.06570	12.8
210.07756	1.8
211.08733	5.2
212.05879	14.8
212.09271	2.7
213.10168	2.7
224.09329	3.6
225.06638	3.6
225.10188	3.4
227.08304	3.0
227.11710	3.2
228.12541	2.0
229.09814	4.2
231.11400	2.5
236.09451	2.9
237.10243	12.3
238.08905	2.2
238.11012	3.5
239.08128	16.7
239.11897	3.4
240.08868	6.1
241.09703	3.9
243.11269	10.0
251.08223	4.9
251.11824	6.1
252.08939	5.5
252.10271	3.2
252.12495	11.1
253.06152	19.5
253.09769	20.9
253.13225	9.5
254.06531	2.0
254.10242	2.5
255.11320	6.8
257.09241	2.7
259.10834	2.7
261.12454	5.3
265.06165	3.4
265.09756	2.5
266.06879	10.1
267.07745	22.8
267.11224	14.5
268.08517	12.3
268.12094	14.5
269.08920	3.1
269.12900	4.6
271.10907	5.6
273.12387	13.0
274.13004	1.9
277.09866	2.6
279.07706	8.8
279.11288	5.3
280.08514	27.6
281.09286	44.6
282.09839	4.4
283.10800	2.5
284.07941	2.2
284.12479	2.2
285.08752	6.8
285.12152	3.4
293.09396	2.2
295.10876	100.0
296.11597	45.6
297.12375	24.6
298.09622	2.3
298.12964	1.9
299.10306	7.9
300.10938	2.9
301.11826	11.2
303.13458	39.3
304.13797	4.0
312.10730	2.2
313.11938	11.3
319.12894	2.0
321.08868	2.0
321.14444	3.7
327.13483	25.3
328.10587	2.4
328.14001	4.8
337.09210	3.1
339.09613	18.6
340.10489	9.3
341.11469	11.2
349.14066	4.7
351.12030	1.9
371.12491	28.2
372.13266	7.8
373.14066	10.7
390.14566	6.6
404.16165	6.0
406.13861	3.7
407.14511	2.5
420.15680	4.3
435.17743	2.2
436.18683	2.6
466.15967	3.5
479.16858	4.3
480.17316	2.7
508.17026	2.2
511.19601	20.0
512.19910	4.6
524.16382	1.9
531.15118	4.6
557.24475	3.6
581.24438	2.0
599.24854	13.7
600.25079	2.6
601.23126	24.0
602.23376	5.9
613.23187	3.8
617.26068	4.1
631.24310	7.3
632.24426	2.6
633.25659	25.1
634.25891	6.2
643.24146	57.7
644.24341	9.2
649.25439	2.8
650.24780	1.9
661.25061	28.3
662.25500	9.6
675.26703	79.2
676.26819	16.9
693.27911	21.5
694.27985	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	691.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80310	0.8
59.01253	100.0
61.98707	0.9
68.87034	0.7
77.23951	0.7
78.95786	1.8
80.29456	0.7
91.11972	0.8
98.20560	1.8
133.92329	0.8
152.99527	1.0
209.11861	2.3
227.12921	1.2
266.43265	0.8
277.21606	4.4
291.23480	1.7
455.17157	2.6
672.37158	0.8
691.38733	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2043
Annotation	Helonioside A
Peak:m/z	Relative Intensity
54.26600	0.8
54.44804	0.9
58.63080	0.8
71.01260	2.7
85.02856	1.2
87.00755	0.7
93.03339	1.1
95.01305	0.8
96.95912	1.3
98.20565	1.9
113.02295	1.1
119.04994	0.8
121.02880	1.2
122.06029	1.2
132.02097	8.3
133.02853	2.7
134.03642	50.2
135.04132	1.3
137.02390	8.0
139.03926	1.6
147.04428	1.1
149.06006	17.0
150.06395	1.0
151.03896	1.1
160.01584	45.4
161.02274	3.7
174.29109	0.8
175.03937	45.8
176.04483	2.6
178.02644	32.8
179.03181	1.4
191.07129	1.8
192.04218	1.6
193.05006	100.0
194.05354	5.0
207.06660	1.6
217.05032	1.4
225.10460	0.9
235.06053	3.1
253.13487	1.6
281.09296	0.9
295.11163	0.9
309.07739	1.3
323.07632	4.6
324.10129	1.2
327.12357	1.9
336.94373	0.9
337.09320	36.2
338.09692	3.7
339.12347	4.4
355.10394	1.8
511.20364	0.9
531.15088	65.6
532.15448	10.2
595.21051	1.2
631.25171	1.9
649.25372	1.4
675.26581	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	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
58.00447	0.9
59.01250	10.4
61.98682	1.1
69.21790	0.9
69.65417	3.3
69.65842	2.9
71.01256	11.9
72.99171	1.3
73.02825	3.5
83.01245	1.1
83.04896	5.0
85.02835	4.3
87.00750	2.2
89.02330	5.3
95.04891	1.1
97.91232	1.0
98.20483	1.7
99.00740	1.1
101.02325	7.2
111.08026	1.9
113.02328	7.0
115.65798	0.9
119.03382	1.4
125.02351	1.1
125.09593	2.7
127.11195	3.1
134.06171	0.8
161.04445	3.2
163.11162	3.2
165.09198	1.5
165.12772	12.7
171.10245	2.7
183.13840	100.0
184.14194	5.7
185.11658	1.1
199.09634	2.0
199.13326	0.9
201.11267	48.7
202.11562	2.0
207.10213	2.1
209.11786	62.9
210.12114	3.2
211.13371	3.4
216.64658	1.0
225.11197	1.5
227.12871	18.4
235.08147	3.2
253.09279	8.4
289.07059	1.6
311.78070	1.0
355.11896	1.0
399.04642	1.0
445.20709	2.1
463.21741	5.2
616.14679	0.9
647.32886	39.3
648.33075	5.1
655.33368	1.8
673.34406	62.0
674.34802	9.8
691.35596	16.1
692.34814	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	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28042	0.5
54.92544	0.5
55.01765	0.8
57.03338	3.7
58.00468	2.1
59.01258	36.8
61.98697	1.3
62.74963	0.5
68.86497	0.5
68.99680	0.5
69.03322	2.2
69.20042	0.5
71.01259	34.7
71.04891	1.2
72.99187	3.1
73.02837	4.6
73.40986	0.5
75.00757	1.0
78.95792	3.7
81.03336	2.0
82.41093	0.5
83.01266	3.1
83.04903	1.0
85.02827	7.1
87.00762	6.2
89.02327	27.2
93.03355	0.9
95.01302	2.8
97.02827	5.1
97.06509	0.9
98.20564	1.5
99.00768	2.2
99.04414	0.6
101.02334	25.7
105.26304	0.5
109.06474	6.7
111.04436	1.2
113.02337	11.7
113.09618	10.8
115.03802	0.5
119.03396	8.4
121.10168	1.4
125.02350	9.9
131.03403	1.7
134.03702	0.6
135.08054	0.7
139.03917	0.6
139.11217	1.1
143.03407	4.6
149.04483	1.0
149.09599	0.7
152.99547	1.2
161.04500	5.4
161.09695	0.9
163.11235	2.8
165.08966	0.6
167.10687	1.0
171.10185	3.9
179.03484	0.9
179.05554	5.8
179.10696	2.2
181.12270	1.4
183.13835	2.5
185.11816	0.7
195.13843	2.2
199.09727	1.2
201.11226	1.2
207.10255	8.0
209.11832	1.9
211.13388	4.4
221.06726	1.5
223.13316	0.8
223.17143	0.7
225.11371	4.1
235.08205	8.7
235.17023	5.6
245.06697	0.8
249.22269	1.1
253.09308	4.3
263.07785	1.6
267.07086	0.6
275.20197	9.5
276.20355	0.9
287.07718	2.0
293.21259	100.0
294.21561	8.9
305.08774	2.1
323.09766	1.6
345.73163	0.5
397.13541	53.4
398.14005	4.8
415.14612	31.5
415.19019	0.7
416.14917	2.2
659.36780	0.7
691.34723	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	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.9
57.03324	1.4
57.35210	1.0
58.00476	2.8
59.01255	54.1
61.98706	8.7
64.01917	1.1
67.01768	1.1
69.03332	3.1
71.01257	49.5
71.04890	4.5
71.58220	1.9
72.99182	4.1
73.02819	8.5
75.00742	2.5
78.95779	5.8
80.68140	1.0
81.03338	2.3
83.01262	4.4
83.04910	1.4
85.02830	10.4
87.00768	12.5
89.02320	36.4
93.67386	0.9
94.23551	1.0
95.01253	3.1
96.95883	1.3
97.02837	8.2
97.23679	1.0
99.00761	3.3
101.02329	34.5
101.69503	1.0
103.03867	1.0
109.06500	4.9
111.04398	1.8
113.02332	17.6
119.03390	12.1
125.02348	14.9
133.04979	1.2
139.03903	1.2
143.03387	6.3
149.04393	1.5
152.99463	2.6
161.04443	7.8
163.11182	2.6
165.12781	1.3
169.04968	1.1
171.02879	1.2
171.10222	4.1
179.05539	8.8
181.12187	1.1
183.13837	5.6
201.11246	2.5
207.10222	7.5
209.11786	9.3
209.15468	1.1
211.13324	4.4
217.07091	2.1
221.06618	2.6
223.17010	3.5
225.11278	3.8
227.12820	3.1
231.21205	1.4
235.08228	13.6
235.16991	24.1
236.17282	1.8
245.03877	1.0
245.06549	1.3
253.09210	6.3
263.07690	2.4
275.20175	27.2
276.20535	2.4
287.07684	3.0
291.19632	2.3
292.20007	1.3
293.21246	100.0
294.21588	8.3
305.08740	4.2
323.09866	1.3
379.12323	2.4
397.13525	79.7
398.13785	4.9
415.14597	41.7
416.14969	2.1
564.18005	1.1
691.34650	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	689.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21485	0.6
55.01749	0.9
59.01256	8.3
60.70846	0.6
60.96779	0.7
61.98701	2.8
69.35249	0.7
71.01255	7.7
71.06316	0.9
71.06654	1.4
72.99174	0.9
75.00743	1.2
78.93352	0.6
78.95773	1.8
83.04906	1.3
85.02834	1.6
86.96914	0.7
87.00765	1.5
89.02314	3.7
97.02784	0.8
99.00738	0.8
101.02337	5.8
111.08073	1.1
113.02337	2.3
119.03356	0.9
145.04999	0.8
161.04550	1.9
165.12764	9.7
167.14406	1.0
171.10149	3.3
183.13840	100.0
184.14163	5.0
193.12254	2.7
197.11755	1.6
201.11278	1.2
207.10091	1.1
209.11769	6.6
210.11948	0.8
211.13350	99.7
212.13762	6.4
215.10901	1.3
215.12846	15.9
215.84540	0.7
225.11192	0.9
227.12782	6.0
235.08215	3.9
253.09254	8.7
319.39951	0.7
445.20810	1.4
447.22229	3.1
463.21979	5.1
554.75262	0.8
633.62390	0.9
657.34937	80.4
658.25049	1.3
658.35339	14.5
689.37762	5.9
690.37775	1.5
691.43530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11399	0.5
50.90705	0.5
57.03326	1.0
58.00476	1.3
59.01256	23.8
69.03321	1.4
71.00856	1.0
71.01256	17.8
72.99179	0.8
73.02812	3.0
83.01270	1.8
85.02836	3.9
85.67341	0.5
87.00768	3.2
89.02327	14.8
95.01252	1.1
97.02831	2.2
99.00771	0.6
101.02334	12.2
113.02345	6.8
119.03407	3.6
125.02365	3.7
143.03447	2.6
161.04453	2.4
167.10773	0.8
179.05530	3.4
179.14377	1.0
195.13855	10.6
196.14514	1.3
205.12233	1.0
211.13297	1.0
221.06689	1.4
223.13387	6.9
228.13718	0.7
235.08263	3.7
253.09213	1.1
256.13101	1.8
263.07825	1.2
275.20126	5.6
293.21252	100.0
294.02411	0.6
294.18307	0.6
294.21579	9.3
305.08698	0.7
346.14664	0.6
355.64999	0.5
397.13538	18.8
398.14124	1.2
415.14569	20.5
416.15115	1.8
654.26666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00949	1.1
59.01254	18.5
64.68738	0.5
69.03341	0.8
69.86776	3.5
70.49802	0.6
71.00891	1.1
71.01260	12.7
72.99182	0.7
73.02811	2.2
83.01258	0.9
85.02825	2.2
87.00753	2.6
89.02319	11.5
97.02829	1.8
99.00779	0.6
101.02319	8.9
113.02337	5.7
119.03399	4.0
119.09785	0.6
125.02319	2.8
131.03421	0.7
143.03423	2.0
161.04457	1.9
167.03401	0.7
179.05513	2.9
189.87288	0.6
195.13840	7.6
196.14507	1.2
205.12445	0.6
205.15955	0.9
221.06555	0.7
223.13338	5.4
235.08154	3.9
253.09218	1.1
256.13098	1.4
263.07770	0.6
275.20187	4.5
293.21231	100.0
294.21603	10.3
352.44205	0.6
397.13550	18.4
398.13818	2.0
415.09027	1.3
415.14566	23.4
416.14896	1.6
640.30078	0.6
669.32245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.34
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.6
58.00456	1.2
59.01252	25.4
60.01586	0.6
61.98688	1.9
66.69559	0.5
69.03312	2.3
69.23463	1.5
69.23880	5.8
71.01255	23.4
71.04856	0.7
72.99190	1.6
73.02821	2.9
75.00734	1.0
78.95780	0.7
81.02097	0.5
81.03325	0.8
83.01262	1.9
83.04876	2.1
85.02844	5.9
87.00754	4.8
89.02320	19.3
90.02678	0.6
95.01237	1.4
95.04894	1.0
97.02821	3.7
98.20672	1.1
99.00758	1.4
101.02332	14.3
109.06447	0.9
111.04444	0.7
111.08040	3.7
113.02346	6.9
115.04023	0.7
119.03384	5.3
121.10119	3.6
125.02335	5.0
125.09646	4.4
127.11161	1.6
131.03455	0.9
137.78600	0.6
141.01772	0.8
143.03366	1.7
147.08049	0.9
151.23804	0.7
161.04475	4.5
163.11249	1.3
165.12668	1.0
167.03450	0.7
167.10684	0.6
170.71873	0.6
171.10193	3.4
177.12756	0.8
179.05515	4.8
181.12209	0.7
183.13858	1.7
185.11803	6.6
195.13858	2.3
197.11699	2.0
201.11224	1.7
207.10249	1.2
209.09891	1.2
209.11784	18.5
210.11984	1.0
211.13359	10.7
221.06689	0.8
223.13504	0.6
225.11307	2.4
227.12866	3.1
235.08145	4.9
247.20609	2.0
249.33183	0.6
253.09354	2.3
263.07791	0.9
263.20081	2.9
267.07141	1.4
273.18634	3.6
277.09302	0.8
287.07761	1.4
291.19662	100.0
292.20035	6.6
305.08878	0.9
397.13495	38.7
398.13864	3.7
415.14594	25.5
416.14987	1.3
494.78934	0.8
551.88940	0.6
671.31726	0.7
688.33990	0.6
689.33557	7.5
690.34338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.4
57.03335	2.1
58.00462	1.5
59.01255	25.0
61.98704	1.5
64.86683	0.5
69.03342	0.9
71.01257	28.7
71.04902	1.1
71.58369	0.9
72.99187	2.2
73.02817	4.6
75.00751	2.0
78.95831	0.6
81.03323	1.4
83.01254	3.6
83.04908	2.2
85.02824	5.8
87.00753	7.2
89.02324	18.7
91.03862	0.7
95.01284	1.8
95.04890	1.2
97.02827	4.8
97.06472	1.2
99.00758	7.4
101.02328	16.7
108.02116	0.9
109.06517	1.3
110.03567	0.8
111.04397	0.9
113.02336	8.6
119.03407	5.4
121.02844	1.4
123.08077	1.1
125.02341	7.9
125.09620	2.9
131.03491	0.7
134.06009	0.6
137.02348	0.8
139.03848	0.8
143.03426	3.4
148.08904	1.1
149.04526	0.7
150.10390	1.5
151.00308	1.2
161.04463	4.2
163.11198	5.1
165.12764	20.7
171.10184	6.3
172.10472	0.8
174.01601	1.1
179.05568	4.2
181.12279	5.5
183.13844	15.1
185.11848	1.0
197.11848	1.5
199.09631	0.9
199.13326	5.3
201.11310	2.5
207.10222	11.9
208.10558	0.9
209.11775	19.5
210.12169	0.9
211.13373	3.1
221.06740	0.9
225.11288	18.1
226.11613	0.7
227.12798	4.3
229.14386	0.8
235.08226	6.7
243.12350	9.5
247.20653	9.2
248.20995	1.1
253.09169	3.4
263.07574	1.2
267.07275	1.1
271.02600	3.4
273.18542	5.5
277.09256	0.7
287.07892	0.7
291.19675	100.0
292.20004	6.0
300.02676	5.1
301.03546	2.7
305.08762	2.3
323.09897	0.9
352.20157	0.8
397.13525	35.4
398.13721	1.7
415.14584	24.8
416.14587	1.0
433.07791	0.8
461.20120	1.4
463.21713	1.8
479.21283	2.8
527.28149	0.9
617.31305	0.8
645.34473	2.7
657.22223	3.5
658.23083	0.8
671.32550	3.6
672.34399	0.9
689.33832	39.8
690.34082	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	689.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.1
58.00468	1.2
59.00947	1.4
59.01249	27.6
60.60169	0.7
61.98703	1.5
69.03344	1.4
71.01255	25.6
72.99182	2.2
73.02830	3.7
78.95783	1.0
81.22141	0.7
83.01265	2.5
83.04869	0.8
85.02824	5.7
87.00734	4.4
89.02318	19.5
95.01252	1.2
95.04909	1.3
95.38852	0.7
96.11958	0.7
97.02839	3.1
98.20602	1.0
99.00748	1.8
99.52088	0.7
101.01697	1.2
101.02324	15.6
106.62479	0.7
109.06512	1.2
111.04417	1.0
111.08031	8.4
113.02331	9.3
119.03400	5.4
125.02323	4.6
131.45050	0.6
139.03923	0.9
143.03421	2.5
152.78778	0.7
161.04468	3.8
163.11203	0.9
167.10674	2.6
171.10170	1.8
177.12785	0.8
179.05548	2.9
179.10619	2.1
179.44885	0.8
183.13829	2.9
195.13861	5.9
199.13222	1.0
207.10205	2.8
209.11818	4.9
211.13347	2.3
213.60268	0.7
219.14160	0.8
221.06697	1.4
225.11247	2.0
227.12842	1.4
233.06497	1.0
235.08202	5.0
245.06715	0.9
247.20695	2.3
253.09245	3.2
254.58984	0.8
267.07220	1.1
271.02362	0.9
273.18622	1.6
277.09482	0.9
291.19666	100.0
292.19919	7.4
292.22534	0.8
323.09839	0.9
388.56342	0.7
397.13495	38.4
398.13919	2.1
415.14587	23.9
416.14825	1.3
470.99661	0.8
628.42615	0.8
689.34021	7.9
690.33722	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	13.3
61.98693	9.0
67.19107	1.7
70.56755	5.8
71.01271	11.0
75.00751	2.3
80.04936	2.0
83.01256	2.6
85.02827	4.1
87.00742	3.7
89.02309	6.8
90.48130	2.1
92.04948	4.1
94.06496	4.2
95.25993	2.2
101.02316	7.1
104.04945	4.7
105.84687	2.1
106.06514	25.0
107.01240	1.7
108.04395	3.9
113.02323	4.3
116.04926	2.1
119.03386	2.6
119.04922	2.7
120.04420	6.5
122.06012	22.6
125.02290	4.2
125.09586	3.4
128.03430	3.4
132.04459	5.4
134.02386	2.1
134.03613	2.0
134.05986	7.1
138.05527	28.4
143.04510	2.5
145.06126	2.9
148.04001	10.6
150.05527	34.7
151.00266	4.4
152.07054	5.4
158.06023	5.6
160.07561	3.8
161.04533	2.7
163.11116	3.8
164.03426	3.8
166.04948	2.6
168.62500	2.2
169.01422	2.7
171.10222	15.4
174.05502	3.7
177.03310	3.1
178.05019	7.2
178.99765	6.8
185.11775	2.5
201.11308	11.7
209.11819	32.8
211.13264	7.6
217.07436	4.5
223.08635	3.5
223.12460	2.8
225.11462	12.5
227.08275	3.1
227.12840	3.4
228.09000	2.8
231.11356	4.3
235.08469	3.4
236.09424	3.6
237.10339	15.2
239.11865	2.5
241.09845	16.2
243.11429	5.4
246.11514	2.4
249.10316	8.4
251.08182	6.0
251.11873	32.0
252.12085	2.3
253.09346	8.4
255.03110	2.5
255.11411	10.6
259.10837	12.3
261.10425	3.3
263.08206	11.5
264.09052	33.8
265.09430	4.1
267.11420	3.0
269.09351	3.2
271.10880	19.1
277.09714	7.9
278.10583	2.9
279.11404	100.0
280.11581	8.7
281.09113	4.1
287.10468	2.6
289.11969	21.5
295.10797	3.8
297.12445	8.4
299.02014	2.6
300.02609	4.2
301.03424	3.1
305.09482	2.3
306.07651	2.5
311.14005	2.9
323.10306	7.1
329.10944	2.2
334.85590	2.2
401.79657	2.6
412.16525	3.2
452.43625	2.7
456.15814	4.0
461.19958	2.0
468.17688	22.8
498.33203	2.2
556.57410	2.7
565.20508	2.3
571.21954	8.7
578.15723	2.4
589.22821	3.4
595.12439	3.8
595.21991	77.3
596.21887	13.1
613.23022	58.6
614.22925	9.6
627.24652	14.6
628.24896	4.0
639.21033	26.9
640.21075	6.6
657.22021	32.2
658.22754	3.9
671.23553	15.7
689.24469	94.7
689.33093	5.7
690.24316	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	687.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57939	0.8
56.88614	0.9
57.03324	2.3
59.01257	10.6
61.98713	1.0
63.69693	0.8
69.03338	1.6
69.66491	6.4
71.01253	11.5
72.99187	5.1
73.02845	1.6
74.37000	0.9
75.00758	10.5
78.95773	1.1
83.01257	1.3
85.02828	14.2
87.00750	4.9
89.02319	2.3
95.01301	2.1
97.06499	1.1
99.00771	8.3
101.02382	1.2
111.08028	1.6
113.02346	14.5
115.00273	2.2
117.01841	1.5
126.98141	0.9
127.03885	1.3
128.39124	0.9
129.01846	1.1
133.01172	1.0
137.41757	0.9
163.11215	1.5
165.12776	12.7
174.01666	0.9
175.02362	3.0
175.03848	1.5
182.46269	0.8
183.13852	100.0
184.14177	4.5
193.03314	0.9
207.10199	1.4
209.11777	5.2
211.13396	2.8
225.11391	1.2
227.12808	6.6
249.06119	1.2
257.19376	1.0
270.01971	1.1
271.32013	1.0
301.16605	1.6
331.53677	1.0
379.62173	1.1
392.64520	1.0
415.19849	1.9
435.91385	0.9
440.59213	1.0
459.18787	1.2
474.56665	0.9
477.19614	4.1
495.29340	1.1
511.29214	6.6
581.33337	1.5
625.32526	8.2
643.33179	1.3
669.31299	4.2
687.32404	99.1
688.32715	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	687.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.2
58.00459	4.5
59.01252	100.0
61.98723	2.6
69.03318	1.6
71.01254	71.9
72.99179	7.4
73.02825	10.3
75.00734	4.1
76.91742	1.2
78.95808	1.4
81.72057	1.3
83.01253	5.3
85.02814	15.4
87.00746	5.7
89.02316	67.9
93.03239	1.3
93.45329	1.3
94.40007	1.3
95.01262	5.0
96.95886	2.4
97.06491	1.2
99.00777	3.6
99.04370	1.3
101.02314	38.9
109.02825	1.6
113.02334	40.8
116.92726	3.1
118.41196	1.2
119.03392	26.7
119.04800	2.5
121.02795	1.8
125.02319	4.0
131.03372	5.7
134.03627	2.0
135.04390	1.3
137.02312	3.0
143.03412	8.8
143.04362	1.3
145.98680	1.1
149.04456	5.5
153.01828	1.6
160.01564	2.1
161.04477	10.2
163.03813	1.5
167.03445	1.4
171.10223	1.8
175.03905	1.4
179.05525	16.4
179.06996	2.1
181.08701	3.3
191.05295	1.5
193.05095	1.4
197.27240	1.3
205.05099	1.4
209.11749	3.6
263.94601	1.5
271.02609	1.3
300.02762	1.6
315.14230	1.7
376.91254	1.2
464.64066	1.4
501.20618	1.3
574.98242	1.3
601.32257	5.5
602.32684	1.5
669.26923	2.3
687.30505	4.1
714.87830	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97975	1.2
57.03329	1.4
59.01242	3.3
61.98694	2.1
63.96115	2.6
71.01260	13.4
71.57890	2.8
71.77956	1.2
72.99167	1.4
73.02809	2.8
75.00742	5.3
78.95785	2.3
78.98479	7.9
79.95614	15.3
80.96399	79.8
82.54404	1.3
85.02809	4.6
87.00746	4.3
94.97971	20.2
96.95901	1.5
97.02840	2.4
99.00746	1.4
101.02345	2.7
106.97971	3.8
113.02332	2.8
118.35446	1.2
122.97474	4.2
125.02357	3.8
134.97487	6.9
148.99046	8.8
150.54839	1.1
150.98384	1.1
152.98531	7.2
152.99512	1.2
164.98555	11.4
171.10167	2.4
171.36348	1.1
197.11734	1.5
198.50240	1.2
206.99559	2.8
207.10164	2.0
209.11726	4.6
211.13348	2.5
223.09482	1.4
225.00719	18.4
227.50101	1.3
387.25577	1.7
415.24036	1.2
539.23889	1.2
687.30511	100.0
688.30969	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	687.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97170	1.5
59.01242	6.8
60.99069	1.5
61.98699	6.0
63.96103	2.3
64.97209	1.3
71.01247	12.3
71.58172	2.5
73.02830	2.0
78.98458	7.3
79.67028	1.3
79.95610	13.6
80.96394	75.6
81.03351	1.9
85.02833	4.7
87.00770	3.2
94.97967	21.5
106.97968	3.7
122.97444	4.2
125.02356	2.8
132.43454	1.7
134.97456	5.9
148.99042	6.2
152.98491	7.6
164.98575	14.2
171.10150	3.7
179.96051	1.7
206.99641	3.8
209.11739	5.7
211.13266	4.6
225.00676	16.6
258.19391	1.4
307.62268	1.4
493.28729	1.7
679.96649	1.9
687.30566	100.0
688.30847	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.9
68.56886	3.2
70.00901	3.7
78.95791	5.6
121.18747	3.8
166.20113	3.8
209.11815	5.0
209.35938	3.7
211.13510	5.8
214.88760	4.0
229.59079	4.9
317.32581	3.8
438.13370	6.2
481.15210	45.5
482.15448	12.3
495.16727	12.1
540.16809	16.7
542.56104	4.8
555.18854	100.0
556.19037	25.1
572.15448	17.2
586.17139	5.5
609.20294	4.6
623.73822	4.8
641.22913	33.7
642.22974	10.6
643.23273	8.9
674.22144	6.5
687.23016	89.5
688.23547	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	687.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.22411	0.5
71.01256	0.7
71.05703	1.3
72.61068	0.6
78.95794	1.0
143.88200	0.5
152.99507	0.8
161.58882	0.6
173.90878	0.6
186.81381	0.6
255.23370	2.5
277.21902	0.7
302.02802	0.7
369.65131	0.6
452.14917	0.6
466.17172	0.8
467.17294	7.7
468.17545	1.2
481.18884	1.7
483.20370	1.7
526.19006	2.5
541.21014	23.6
542.21320	6.3
558.17627	3.6
559.18127	0.7
572.19269	2.0
608.74432	0.6
613.23120	0.8
627.24841	8.5
628.25104	1.9
687.26849	22.9
687.39215	1.3
688.26935	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	687.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15728	1.4
57.03309	2.3
59.01247	2.6
67.01760	4.0
69.67554	8.7
69.67963	2.4
70.77097	1.6
71.01263	3.0
81.89906	1.5
85.02842	2.8
87.00764	5.4
93.03330	20.6
111.04399	3.1
113.02336	1.7
119.04941	4.8
141.11578	1.5
143.80858	1.6
145.02849	2.2
155.12393	1.7
156.58749	1.5
163.03853	7.5
173.04440	7.9
191.05547	100.0
192.05885	4.6
337.09348	24.7
475.29993	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	685.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63769	3.1
51.82961	3.6
59.01251	10.5
71.01254	17.6
71.58150	5.1
78.98499	3.6
79.95609	100.0
80.96393	54.6
85.02821	5.9
87.00766	6.9
88.98687	7.1
89.02310	3.7
94.54218	3.1
94.97972	14.4
113.02287	6.2
117.48650	3.0
122.97461	5.5
125.02331	4.0
134.97508	4.6
137.02303	3.3
148.99069	4.5
164.98563	10.7
174.01596	5.8
182.99745	5.0
206.99609	6.9
209.11732	11.1
225.00706	33.6
299.04391	7.2
315.03903	4.5
371.06464	4.9
385.08224	6.1
427.12473	6.9
441.14206	10.8
510.17828	19.2
511.18521	71.8
512.18762	10.5
527.83417	3.5
667.19244	4.1
685.19745	78.3
685.29596	6.5
686.20673	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	686.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08160	0.3
50.31710	0.3
56.05930	0.3
59.01253	1.3
61.98704	100.0
63.40332	0.3
65.79231	0.3
69.76345	0.3
71.01251	0.6
73.04114	0.3
75.00736	0.3
78.95798	0.7
84.02818	0.3
87.00754	0.4
171.10191	0.3
176.17636	0.3
198.26076	0.3
209.11757	0.5
295.10309	0.3
341.10422	0.3
345.24612	0.3
388.26025	0.5
406.27060	0.4
624.34821	0.4
625.34399	0.4
626.35114	1.8
652.44574	0.3
659.50623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	5.9
59.01250	7.1
71.01263	5.2
71.57527	2.5
71.57901	2.8
78.95780	3.9
87.00740	2.3
97.06459	13.4
101.02291	4.2
103.28211	2.1
107.59824	2.3
118.09882	2.0
123.08054	7.7
124.31435	2.3
125.09626	100.0
126.09962	3.7
127.58397	2.2
169.08542	2.7
187.09706	41.2
235.08205	3.0
253.09172	3.3
253.21611	3.7
277.21741	54.3
278.22165	4.3
338.35864	2.3
378.51605	2.6
405.17770	4.1
423.18668	7.8
511.05197	2.4
683.40033	88.9
684.40063	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	683.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.7
59.01255	6.5
65.39219	1.0
71.01247	6.6
74.24306	1.0
78.95766	1.9
85.02821	2.4
89.02319	4.9
97.06477	12.3
101.02309	4.0
102.06203	1.1
111.22295	1.4
113.02326	3.1
119.03439	1.9
123.08029	8.5
125.09621	100.0
126.09958	3.5
143.10689	1.5
162.50101	1.2
169.08606	2.7
187.09682	74.3
188.10039	3.2
211.13286	2.8
229.31454	1.5
251.48657	1.3
253.09273	2.4
253.21739	1.9
277.21732	14.6
302.15210	1.3
363.66504	1.3
402.00571	1.4
405.17661	7.0
423.18774	22.8
424.19101	1.4
683.40155	76.4
684.40594	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	685.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63769	3.1
51.82961	3.6
59.01251	10.5
71.01254	17.6
71.58150	5.1
78.98499	3.6
79.95609	100.0
80.96393	54.6
85.02821	5.9
87.00766	6.9
88.98687	7.1
89.02310	3.7
94.54218	3.1
94.97972	14.4
113.02287	6.2
117.48650	3.0
122.97461	5.5
125.02331	4.0
134.97508	4.6
137.02303	3.3
148.99069	4.5
164.98563	10.7
174.01596	5.8
182.99745	5.0
206.99609	6.9
209.11732	11.1
225.00706	33.6
299.04391	7.2
315.03903	4.5
371.06464	4.9
385.08224	6.1
427.12473	6.9
441.14206	10.8
510.17828	19.2
511.18521	71.8
512.18762	10.5
527.83417	3.5
667.19244	4.1
685.19745	78.3
685.29596	6.5
686.20673	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	683.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08431	0.3
55.01764	0.4
59.01255	4.8
69.03345	0.4
71.01260	3.3
73.02835	0.6
75.37431	0.3
83.01260	0.4
85.00314	0.3
85.02831	1.0
87.00759	0.9
89.02323	2.2
98.20563	0.6
101.02325	2.6
111.08015	0.3
111.65654	0.3
113.02341	1.4
119.03403	0.8
125.02386	0.4
125.09607	0.9
127.11184	1.3
133.04951	0.3
136.85522	0.3
145.04980	0.5
153.09140	0.3
161.04460	1.1
161.05687	0.3
171.10194	100.0
172.10536	4.7
179.05470	0.4
195.13866	2.5
211.13345	0.4
223.13338	2.5
229.70163	0.3
235.08206	3.8
253.09270	9.6
254.09685	0.3
256.13019	0.4
265.67862	0.2
275.20166	4.4
277.21747	0.5
293.21262	36.0
294.21555	2.9
307.69095	0.4
367.74417	0.3
369.24368	0.5
387.25482	2.2
405.26602	1.3
407.19379	0.8
447.31369	0.5
458.56693	0.4
623.34357	4.8
624.34845	0.8
632.89685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.0
56.43955	0.7
57.03313	2.5
59.01254	27.3
68.99678	0.7
69.03341	1.1
71.01256	30.3
71.58193	1.3
72.99188	6.4
73.02804	2.8
75.00746	13.1
79.08395	0.7
81.42822	0.9
83.01253	1.9
85.02341	1.3
85.02824	16.6
87.00746	5.4
87.04401	1.3
88.98685	4.7
89.02325	11.6
93.03337	0.7
95.01261	4.4
96.95863	1.2
99.00765	10.5
101.02326	8.9
103.00270	0.9
103.07910	0.7
108.02036	2.4
109.02839	2.2
111.00764	1.0
113.02341	18.5
115.00265	1.9
117.01852	0.9
119.03372	3.1
119.04916	1.5
126.28313	0.6
129.01842	1.1
131.03448	1.0
134.03656	1.4
137.02275	0.8
145.02853	2.1
149.05998	0.7
152.01033	2.9
153.01755	1.4
157.01227	0.8
161.04546	0.9
163.03897	1.4
165.09096	1.3
175.02370	2.2
175.03824	1.4
179.03415	1.0
179.05569	1.4
183.13773	1.9
193.05003	1.6
195.13852	0.9
249.06081	6.5
253.18059	8.9
264.30841	0.7
267.07184	2.1
271.19147	11.9
272.19424	1.2
307.08319	1.5
315.14554	3.2
405.24396	0.7
415.23538	1.7
433.18451	1.1
433.24329	14.9
434.24374	1.5
517.49164	0.7
521.16821	3.0
521.32965	1.5
533.23645	0.7
639.32092	1.7
651.43085	0.7
665.30786	1.3
683.31158	100.0
684.31561	13.9
684.70575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.5
57.03331	3.1
59.01255	13.9
61.98695	0.9
65.00195	0.9
69.03345	1.1
71.01253	23.1
71.21518	1.0
72.01559	0.6
72.99184	5.2
73.02819	4.6
75.00745	20.8
77.34338	0.4
77.60348	0.5
78.95786	1.0
81.03352	0.7
83.01248	4.3
85.02826	27.4
87.00755	6.8
89.02303	5.0
93.03358	0.7
95.01251	3.3
96.95892	1.3
97.02827	1.2
99.00758	9.1
101.02322	8.3
103.00245	1.1
107.01306	0.7
108.02120	0.5
109.02839	0.8
111.00758	1.4
111.04350	0.6
113.02332	22.3
115.00262	2.0
117.01828	1.8
119.04921	1.9
121.02857	1.5
123.00703	0.6
123.04466	0.7
125.02328	1.8
129.01860	0.8
131.03430	0.6
132.02077	0.6
133.02885	0.7
134.03639	1.3
135.04402	1.5
137.02341	1.1
145.02852	1.1
149.02315	1.5
150.03111	2.6
151.00294	4.0
151.03920	0.7
153.01906	0.5
157.01346	0.8
159.02962	0.8
159.04291	0.5
161.02336	1.0
161.04474	1.7
163.03854	2.6
165.05518	3.6
175.02403	1.2
175.03911	1.5
177.05562	0.5
178.99825	1.0
179.03362	0.9
179.07050	1.1
179.10681	1.5
181.08630	0.7
190.02637	0.7
191.05449	0.6
193.05038	1.0
193.08658	0.9
194.05702	0.6
195.06534	1.7
199.03914	3.0
203.03493	0.7
205.12257	1.5
214.02692	1.1
215.03624	0.6
227.03462	2.2
241.01335	3.3
242.02223	1.3
243.02974	3.6
244.03178	0.7
245.00961	2.4
255.03012	3.1
270.01688	7.0
271.02451	9.2
272.02820	1.7
283.02423	0.8
298.01129	2.2
299.01947	24.8
299.05371	1.2
299.26028	0.8
300.02652	6.8
301.03415	2.7
313.03497	0.8
315.04990	0.9
315.14642	2.7
337.09479	0.7
341.03000	0.8
341.10153	0.5
341.13846	0.7
345.30084	1.3
359.14474	0.6
419.66391	0.6
447.63242	0.6
461.08496	0.9
479.10080	1.3
489.16086	3.1
503.08301	18.8
504.08878	7.3
505.09720	0.7
521.18335	0.8
533.29633	0.9
623.36523	0.9
665.37109	0.9
683.38605	100.0
684.27252	0.7
684.38989	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	683.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.9
59.01254	25.5
69.03315	4.6
71.01256	53.2
71.02367	6.1
72.99181	3.8
73.02789	5.0
73.03939	19.8
75.00741	2.0
82.05087	1.7
83.01250	2.9
83.02372	3.0
85.02808	10.1
85.03959	1.7
87.00726	3.3
88.03918	20.9
88.98691	2.8
89.02332	15.7
91.47119	2.2
93.03337	2.1
95.01263	2.5
96.95889	2.7
99.00732	5.0
99.01859	2.0
101.02293	8.4
111.01878	4.3
113.02312	7.4
115.00276	27.6
119.03377	3.2
119.04877	3.8
121.02837	1.8
125.02316	3.1
129.10248	20.0
131.03419	2.8
132.02028	2.4
132.02913	20.8
134.03571	3.7
139.08638	3.2
145.02800	2.4
146.06036	30.0
147.04419	2.2
149.02271	2.9
151.07585	2.1
151.08684	10.4
153.01704	2.4
153.09097	4.8
155.08127	7.8
158.06041	4.8
161.02313	2.1
161.04477	4.1
163.03925	3.1
163.08688	2.2
164.07053	9.6
165.05460	3.2
166.09781	2.0
167.03322	2.4
167.10474	2.8
168.11226	2.8
173.07088	1.9
175.03862	4.1
181.09790	2.8
185.00786	3.9
185.07152	3.0
186.05428	7.3
186.12440	9.4
190.02637	2.6
193.05038	4.6
198.07886	3.5
203.08200	31.5
205.04918	3.0
205.12378	2.8
220.10838	9.2
223.05788	2.1
229.69505	2.4
235.10878	3.2
241.13387	13.3
255.15016	2.2
258.15948	3.6
259.11758	3.1
261.08820	3.6
276.17078	3.8
277.12988	5.1
298.15576	16.4
307.14172	2.1
315.14380	13.6
315.18188	9.5
327.18143	4.2
329.16226	2.5
333.19266	4.9
345.19250	3.4
385.18710	4.7
469.02789	1.8
491.27945	2.1
521.17944	4.9
537.28247	34.1
538.27051	17.5
549.27759	3.4
550.26807	6.5
567.29437	9.5
568.27753	48.2
569.27997	7.9
609.11267	2.2
609.29962	6.3
639.31366	3.3
653.29236	7.3
665.29675	10.9
683.30212	100.0
684.30603	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	683.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01205	3.4
59.01539	0.5
59.56177	0.3
69.03303	0.4
69.22842	0.6
69.23249	3.3
71.01248	2.7
72.99165	0.3
73.02773	0.5
85.02826	1.8
87.00718	1.1
89.02320	1.8
95.95075	0.4
96.95843	1.2
99.00725	0.5
101.02350	1.4
101.48428	0.4
108.02015	1.0
113.02349	1.5
115.00188	0.8
119.03366	0.7
119.04918	0.3
121.02804	0.5
125.02220	0.3
132.01968	0.4
134.03569	1.1
135.00739	0.4
135.04422	2.3
145.02751	0.4
147.00690	0.3
148.01532	0.7
149.02286	0.8
151.00253	0.7
152.29582	0.3
154.27055	0.3
156.74913	0.3
160.01546	1.5
161.02261	0.6
163.00246	0.5
164.01108	0.4
167.03247	0.3
175.00276	0.8
175.02327	1.5
175.03868	2.0
190.02655	1.3
192.00478	0.4
193.04971	0.4
205.04956	0.9
226.02586	0.3
227.03448	0.7
231.49184	0.3
243.03011	4.8
254.02155	1.3
255.02985	15.4
256.03265	0.9
271.02481	32.4
272.02985	3.0
275.14685	0.5
299.02051	2.4
300.02753	76.2
301.03134	6.0
314.04449	0.9
315.05118	100.0
316.05435	7.6
329.06601	1.4
357.29279	0.3
359.98837	0.3
367.10153	0.6
391.22202	0.3
450.97461	0.3
459.09079	0.4
477.10306	0.8
522.81195	0.3
533.29822	0.4
667.79755	0.4
682.37860	0.6
683.15137	1.5
683.26215	2.6
683.38013	0.8
684.16229	0.4
684.26929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20013	0.7
55.01748	1.0
57.03308	1.3
59.01254	14.1
61.98695	1.4
69.03333	2.0
69.23200	8.4
69.23604	1.0
71.01255	15.5
72.99160	2.0
73.02808	3.2
83.01246	2.7
83.04865	0.8
85.02838	6.8
87.00748	3.5
88.98669	1.0
89.02329	8.5
99.00742	2.8
101.02319	7.6
107.01294	2.0
108.02035	1.8
109.02838	2.7
113.02354	4.5
117.03399	0.8
117.86568	0.8
119.01351	1.2
119.03423	1.2
119.04919	1.6
121.02850	2.4
121.10117	1.2
123.04388	1.7
125.02310	1.7
128.03415	1.9
129.01851	1.0
132.02103	1.3
133.02843	2.6
134.03632	3.3
135.04373	1.7
136.26253	0.8
137.02322	1.4
143.04941	1.5
143.76436	0.8
145.02878	1.5
147.00819	1.3
147.04456	1.3
147.33989	0.9
148.01599	0.9
149.02341	2.9
149.05975	1.6
150.03127	2.2
151.00285	5.1
151.03911	1.4
153.01808	1.7
153.09152	1.2
159.04236	0.8
160.01604	4.7
160.02673	0.8
161.02373	4.3
161.04445	1.2
163.00290	1.0
163.03922	2.3
164.04724	3.2
165.05431	1.1
169.01328	1.3
171.04449	1.8
173.02428	1.0
175.00375	4.5
175.03949	7.0
176.01131	4.6
179.03577	0.8
179.06937	1.0
181.05124	1.0
185.00841	1.0
187.03932	1.3
190.02643	10.9
191.03384	8.7
191.05241	1.7
193.04980	3.7
194.02103	1.3
199.03893	5.3
201.01913	1.7
203.03523	1.4
205.05016	9.0
207.06552	1.3
209.04486	2.3
215.03467	3.4
223.06047	2.9
226.02757	4.1
227.03395	5.9
242.02188	1.4
243.02982	13.8
251.05609	1.6
254.02251	4.5
255.02995	8.7
265.07068	1.7
271.02490	100.0
272.02878	8.3
285.03931	1.7
287.22137	1.0
298.15503	0.9
299.01993	74.9
300.02728	72.4
301.03156	7.9
314.04330	8.7
315.05118	84.7
315.14697	5.3
316.05508	7.0
329.06693	19.1
329.15964	3.3
333.37183	1.0
347.16864	1.1
349.18677	1.1
353.04572	1.6
353.08768	24.7
354.08981	1.1
357.06100	0.9
365.09924	0.9
367.10184	2.6
376.86935	0.9
385.18945	1.1
477.10367	3.5
491.28915	1.9
521.20520	4.1
521.33148	1.0
639.32233	1.2
668.14063	7.8
683.16071	54.6
683.27960	3.4
683.38495	4.1
684.16406	11.8
684.26727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29118	0.5
57.03321	1.6
59.01249	6.5
63.02270	0.9
65.00196	2.1
68.48991	0.6
69.03313	0.6
69.36362	2.5
69.36793	2.9
71.01250	8.6
72.99198	2.1
73.02799	1.6
75.00745	4.4
83.01265	3.0
85.02818	6.9
87.00734	1.9
88.98664	1.0
89.02317	1.8
93.03325	1.0
95.01261	0.7
96.95884	0.9
98.20564	1.0
99.00743	2.1
101.02314	2.4
101.03812	0.7
107.01259	4.0
108.02058	0.8
109.02795	1.2
111.39764	0.5
112.54478	0.6
113.02338	5.7
115.00243	0.7
119.04958	0.8
121.02841	0.9
125.02298	0.9
133.02876	0.6
134.03641	1.3
139.05405	0.7
143.03479	0.6
143.04837	1.0
145.02859	1.6
146.03563	0.8
147.00742	0.8
147.04395	0.9
149.02277	1.2
150.99133	0.8
151.00282	12.1
151.03906	0.6
152.00966	1.1
153.01810	0.6
155.04947	1.0
157.02773	1.0
158.03694	0.8
159.04388	1.1
161.02319	2.1
163.03999	1.2
164.04735	1.6
165.05476	1.6
169.01366	1.4
171.04427	2.4
175.02467	0.6
175.03862	1.3
177.01826	0.6
178.99823	3.8
179.07047	1.4
181.08527	0.7
183.04399	3.3
185.02330	1.9
186.03157	2.1
187.03940	1.2
189.01945	0.8
190.02597	1.5
190.55382	0.6
191.03362	0.7
192.00592	0.8
193.04874	0.8
198.03249	1.1
199.03958	8.3
201.01938	1.1
203.03374	1.4
205.04974	1.2
211.03989	1.2
214.02650	2.2
215.03375	3.0
226.02568	0.7
227.03433	6.8
228.03740	0.9
240.98862	0.6
241.01385	13.7
242.02122	5.7
243.02950	15.5
244.03397	1.0
245.00890	9.1
255.02960	11.7
256.03336	1.2
270.01688	22.9
271.02466	38.2
272.02853	2.5
283.02551	1.8
284.03113	0.9
285.04095	1.1
297.04150	1.0
298.01199	9.8
299.01965	100.0
300.02606	20.2
301.03519	8.4
311.01913	0.8
313.03589	2.8
314.04242	1.2
315.05157	3.5
315.14584	1.4
329.06531	1.3
329.16098	1.0
341.02942	1.8
367.10440	1.5
429.48810	0.7
449.08743	1.7
461.08572	3.6
475.08517	1.1
479.09824	4.7
503.08316	68.8
504.08948	20.8
505.09750	3.7
665.15320	1.7
682.36847	0.8
683.15637	4.7
683.38641	22.0
684.16547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77039	0.7
55.01759	1.1
57.03318	0.9
58.00467	2.0
59.01256	43.9
68.99691	0.7
69.03341	1.6
71.01257	40.8
72.99179	4.8
73.02821	7.6
75.00741	1.3
77.38735	0.7
78.95764	1.3
78.96528	0.9
81.03315	1.7
83.01275	5.2
85.02832	9.0
85.99888	0.8
86.89093	0.7
87.00757	10.1
88.38585	0.6
89.02322	34.1
95.01266	2.8
96.69952	0.7
97.02835	7.5
98.20644	1.6
99.00735	2.1
101.02328	31.6
107.20249	0.7
109.02840	0.8
111.00776	0.9
111.04401	1.4
113.02338	17.5
119.03404	9.5
121.02861	1.0
125.02342	15.3
127.03880	0.8
131.03375	1.2
139.03893	1.8
143.03401	6.1
149.04439	0.9
152.99489	1.1
161.04460	7.2
165.38318	0.7
167.03430	1.2
169.05070	0.8
171.02942	1.0
171.10170	1.0
179.05557	7.3
185.04520	0.8
185.11723	1.4
217.07104	1.7
219.04926	0.9
221.06593	2.7
222.57353	0.7
228.18884	0.8
235.08238	15.1
253.09235	3.1
253.21786	0.9
255.23117	1.0
263.07681	2.3
277.09259	0.9
277.21658	2.7
283.26440	100.0
284.26776	8.2
287.07681	3.3
305.08771	4.2
323.09735	1.1
361.11331	0.7
379.12442	1.6
397.13513	81.9
398.13971	5.6
415.14600	34.6
416.14813	2.0
575.45593	0.9
633.39502	0.9
681.38116	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17002	0.9
55.01751	1.8
57.03329	4.6
58.00453	1.0
59.01251	18.3
68.99680	1.6
69.03308	2.2
69.35024	7.8
71.01256	24.7
72.99182	4.9
73.02821	4.6
75.00749	22.0
75.01182	0.8
75.96415	0.7
81.03316	0.9
82.74506	0.8
83.01253	3.6
83.04913	1.2
85.02830	26.1
87.00744	7.3
88.98713	0.7
89.02319	7.4
93.03308	0.9
95.01247	2.6
96.95903	0.9
97.02799	1.6
99.00755	7.7
101.01780	1.0
101.02341	10.4
111.00792	1.2
113.02335	24.1
115.00227	2.0
116.92764	1.6
117.01823	2.3
119.03411	1.2
119.04905	1.1
125.02345	2.8
129.01781	1.1
131.03377	1.2
134.03624	0.8
136.17932	0.8
153.01833	1.4
157.01309	0.9
161.00987	0.7
161.02353	2.6
161.04466	1.7
168.04237	0.9
173.04413	1.0
175.02356	1.5
175.03880	1.0
179.05486	0.8
179.14394	1.0
183.06438	1.0
185.11778	20.3
186.12148	1.9
195.13844	2.3
203.86516	0.7
205.12216	2.3
223.13358	21.6
224.13753	1.0
235.08195	1.3
313.03546	17.5
314.03851	1.4
397.13452	13.5
398.14041	1.8
415.14493	6.1
459.15103	1.7
475.08539	0.9
477.16071	3.7
505.33804	0.8
621.28064	3.0
663.35547	1.2
681.37054	100.0
682.37451	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	681.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46022	1.6
55.01773	2.9
55.39901	1.9
57.03329	5.4
59.01253	45.2
69.03302	4.2
70.14194	1.6
70.96059	1.8
71.01253	31.4
72.99187	4.4
73.02836	6.7
75.00750	11.7
83.01247	5.7
83.04943	1.9
85.02816	20.7
87.00745	9.5
88.98642	4.3
89.02322	23.7
95.01287	3.7
95.66559	1.7
97.02826	3.3
99.00781	5.6
101.02341	25.1
111.23165	1.9
113.02322	20.7
115.00268	3.2
116.92776	3.0
119.03386	5.6
125.02335	9.8
131.03352	2.5
137.02298	2.8
143.03430	2.5
149.02393	2.1
151.00291	2.9
160.01506	2.1
161.02274	2.0
161.04439	4.5
162.92589	1.8
167.03336	2.1
167.10732	2.6
175.02438	2.6
175.03894	4.1
179.05530	3.8
179.14342	3.4
185.11758	4.6
193.05023	2.6
195.13907	11.7
205.12318	10.0
223.13358	100.0
224.13745	4.8
235.08192	7.4
295.02454	3.0
305.08759	2.3
313.03546	59.1
314.03891	8.2
337.09341	2.2
397.13504	70.4
398.13882	5.7
415.14560	32.1
416.14996	2.1
493.48547	2.0
497.36258	2.1
576.85461	2.3
621.27484	18.2
622.27979	3.9
681.37213	51.0
682.37402	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	681.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.4
56.69365	0.6
57.03323	4.8
58.00445	0.6
59.01252	16.6
60.99149	0.8
61.98689	1.1
69.03342	1.2
69.25247	6.1
69.25660	1.6
71.01256	25.9
72.99178	5.9
73.02823	4.7
75.00748	23.6
78.95759	0.7
79.94935	0.7
79.95616	1.0
83.01248	3.5
84.02049	0.7
85.02825	27.9
86.03149	1.1
87.00745	7.2
88.98675	2.7
89.02331	4.5
95.01254	3.4
96.95881	11.7
97.02816	1.4
99.00758	8.3
100.00982	0.7
101.02339	7.3
109.02834	1.0
111.00771	1.8
113.02334	23.9
115.00235	2.6
116.92767	1.0
116.93591	0.7
117.01810	2.0
119.04909	2.5
121.02818	2.2
125.02339	1.2
128.03436	0.7
129.01822	0.7
133.01399	0.8
134.03580	1.1
135.04399	1.1
137.02335	1.7
143.03362	0.7
145.02914	1.6
149.02376	0.9
150.04140	1.1
151.00290	1.2
151.03882	0.8
153.06769	0.7
156.18282	0.6
157.01270	0.8
160.01581	0.7
161.02293	1.2
161.04445	0.7
163.03909	2.0
171.10201	0.7
173.04478	0.8
175.02393	2.4
175.03932	1.7
183.48332	0.6
191.05583	0.7
193.05075	1.0
211.13358	0.7
267.07004	0.9
268.58978	0.6
277.21609	1.0
297.24374	1.9
313.07410	0.8
313.10754	0.9
321.20627	1.4
337.09177	0.9
343.28558	1.5
367.10297	1.3
501.27170	1.3
505.33682	0.8
518.20496	0.6
519.16528	1.1
520.25311	1.2
544.28400	0.7
560.25726	0.7
577.32629	0.7
637.30664	0.9
663.35742	1.2
681.37036	100.0
682.37476	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	681.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62202	0.7
54.46479	0.7
55.01760	1.5
57.03315	2.6
58.00460	1.6
59.01252	41.0
61.99807	0.7
62.45358	0.8
67.01771	1.0
68.99691	1.0
69.03316	1.0
71.01256	38.8
72.99178	7.2
73.02812	1.7
75.00746	14.7
81.03326	1.2
83.01257	2.7
85.02826	26.7
87.00755	8.3
89.02324	14.3
91.03910	0.8
93.03373	0.8
95.01252	6.3
98.20583	1.5
99.00761	9.7
99.04398	12.5
101.02314	7.9
103.00256	2.0
107.08553	1.8
111.00732	1.2
112.01502	0.9
113.02332	30.7
115.00259	1.8
117.01791	0.9
119.03406	1.8
119.04908	1.1
121.02851	0.9
121.06447	1.7
125.02311	1.1
128.20746	1.0
129.01810	2.1
135.08061	1.3
151.00240	1.2
151.03932	0.8
151.33737	0.9
157.01428	1.5
163.71713	0.9
175.02426	2.5
181.05000	1.4
189.12770	15.2
204.06737	0.8
207.05028	1.2
207.13840	9.2
223.69212	0.8
237.10100	0.8
249.06096	11.9
250.06516	1.1
251.12856	6.1
267.07208	35.0
268.07745	2.3
300.02750	1.4
325.16513	3.5
330.02805	0.9
357.09760	1.0
382.08694	0.8
387.14413	1.6
439.19751	1.5
447.52332	1.0
457.20724	2.0
465.66821	0.9
483.18863	2.6
501.19791	55.2
502.19995	7.1
505.22980	1.1
519.20679	2.3
602.22498	0.9
681.26093	100.0
682.26410	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	681.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.0
57.03329	2.3
58.80166	1.9
59.01252	38.8
60.08961	1.6
65.82259	1.7
69.03319	4.0
69.41175	3.3
69.41576	15.6
71.01253	26.8
72.99188	2.3
73.02829	5.1
75.00759	2.4
83.01257	2.7
85.02840	6.8
87.00764	5.0
89.02330	24.2
96.95903	4.2
97.02808	6.0
98.19741	3.1
99.00753	3.9
101.02332	19.2
106.00484	2.1
113.02323	12.3
119.03385	7.1
121.02834	2.1
125.02335	6.4
135.04469	2.3
143.03421	3.0
145.02870	4.5
161.02397	3.0
161.04466	4.5
163.03943	2.6
167.10741	4.9
179.05518	5.4
179.14359	4.4
181.50359	1.8
183.07455	1.9
195.13834	12.1
195.15395	1.7
205.12267	10.7
222.53593	1.7
223.13345	100.0
224.13733	6.1
235.08157	7.6
263.07840	2.2
305.08893	2.4
397.13510	69.6
398.13751	5.1
415.14536	29.9
416.14890	2.6
417.88458	2.0
439.70093	2.0
621.27478	17.2
622.27826	3.6
681.36310	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	679.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
56.59580	0.5
57.03316	1.1
57.18252	0.5
58.00464	1.9
59.01254	36.3
64.27007	0.4
69.03330	2.6
71.01257	34.1
71.57768	0.8
72.12746	0.6
72.99187	2.6
73.02818	5.2
75.00739	1.3
78.95760	1.7
80.96398	0.6
81.03329	1.9
83.01264	4.4
85.02835	7.7
87.00753	8.6
89.02323	30.3
90.02634	0.6
91.03862	0.7
95.01256	2.7
95.04918	0.6
97.02834	6.5
97.32142	0.6
99.00764	2.5
99.04414	0.6
101.02331	27.1
102.02644	0.6
103.03925	0.7
109.02814	0.8
111.04412	0.8
112.01548	0.5
113.02332	11.7
116.56216	0.5
119.03402	10.8
121.02809	1.0
125.02352	12.8
131.03403	2.1
133.04938	1.3
137.02335	0.6
139.03888	1.2
140.99631	0.5
143.03407	5.3
149.04526	1.2
151.03957	0.6
161.04451	5.7
167.03276	0.5
179.05544	6.2
193.77582	0.6
203.05579	0.6
217.07167	1.1
221.06621	2.5
235.08206	11.9
245.06471	0.6
253.09212	3.3
263.07709	1.6
277.09479	1.0
281.24875	100.0
282.25214	9.7
287.07837	2.9
289.07364	0.7
295.26407	0.6
305.08698	4.0
323.09946	1.7
397.13510	67.9
398.13916	5.5
415.14600	28.9
416.14920	1.8
537.29852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29774	9.6
59.01264	44.5
61.98693	11.5
66.47855	9.6
70.06865	8.9
71.01265	10.6
71.57946	16.6
72.31018	11.4
73.69337	9.7
78.95773	33.0
85.02831	11.7
126.17796	10.0
149.04802	9.1
171.10164	17.8
211.13382	16.3
293.21146	25.0
309.20917	10.1
311.22247	100.0
581.28101	11.3
679.35706	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	681.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22686	1.1
55.01788	1.7
57.03316	2.3
59.01253	38.8
68.99702	1.7
69.03324	1.2
69.55546	10.1
71.01260	27.9
72.99177	4.7
73.02825	9.5
75.00748	13.8
83.01262	3.4
85.02835	17.5
86.49199	1.2
87.00759	4.9
88.57465	1.2
89.02311	5.5
95.01256	5.1
99.00751	10.0
101.02340	8.5
103.00247	1.9
113.02352	18.5
115.00268	2.1
117.01809	2.7
119.03378	1.3
125.02374	1.3
161.04453	2.5
167.10754	2.5
175.02359	2.5
194.72040	1.3
201.10266	1.5
231.05026	1.7
249.06166	8.6
267.07159	4.5
271.14035	1.4
307.84537	1.3
387.16742	1.5
445.63031	1.4
577.20807	1.6
619.22302	2.1
637.23480	100.0
638.23767	14.1
681.27625	1.8
709.13202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.4
59.01250	11.0
69.23672	3.2
69.24080	12.5
71.01254	19.7
72.99170	2.6
73.02814	12.6
75.00746	1.9
84.34854	1.3
85.02824	4.9
89.02306	4.9
93.03333	1.5
95.01279	1.6
96.35125	1.4
98.19781	3.2
99.00759	21.1
100.01147	1.4
100.12543	1.4
101.02328	5.9
109.02838	3.4
113.02318	3.9
119.04900	2.0
123.00754	4.3
124.01497	1.7
131.03409	5.7
135.04514	1.9
137.02354	10.3
139.03906	4.3
143.83301	1.3
151.00282	29.7
152.01062	4.2
152.04683	3.4
161.04257	2.2
163.03903	2.5
165.01912	1.5
166.02632	89.2
167.03185	6.3
173.02325	2.0
175.03909	4.5
177.01839	6.0
181.04990	100.0
182.05298	5.6
190.06270	2.0
191.03423	6.2
191.05315	2.2
193.04929	2.5
200.79228	1.3
203.03419	2.1
205.04973	5.1
205.08542	1.4
206.05815	6.9
207.06441	2.5
219.06635	1.7
220.07205	2.1
221.08200	6.8
225.95886	1.4
235.05997	1.7
263.07687	4.3
341.10132	1.8
357.09778	1.9
359.11160	1.9
367.11801	1.8
369.09686	4.4
372.12445	2.1
383.75098	1.5
384.11969	3.7
387.10272	19.1
387.15414	12.3
388.11124	3.2
398.13681	2.1
399.14447	48.9
400.14764	5.1
402.13211	13.1
403.14069	4.3
417.15546	98.2
418.15976	14.2
651.23016	14.4
663.22729	13.8
664.23541	3.9
681.23541	41.1
682.24017	7.2
687.65643	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	679.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.1
57.03338	3.6
58.00461	0.7
59.01254	11.9
61.98694	1.9
67.01773	1.0
68.99641	0.8
69.03305	1.3
71.01257	22.0
71.58076	0.9
72.99171	5.4
72.99474	0.5
73.02827	3.8
75.00752	22.8
83.01260	3.8
83.04921	0.8
85.02827	27.4
86.03127	0.9
87.00760	8.1
89.02322	3.3
95.01261	3.0
96.95901	2.8
97.02859	1.1
99.00768	8.0
101.02324	5.9
103.52212	0.7
109.02831	1.0
111.00763	1.3
112.01588	0.7
113.02339	22.4
115.00271	2.3
116.92719	1.6
117.01795	1.4
117.03358	1.8
119.04915	1.4
121.02852	0.9
124.76306	0.7
125.02348	1.3
129.01857	1.2
131.03403	0.7
133.01334	1.0
134.03642	16.1
135.04044	0.9
149.06017	1.1
150.04153	1.5
157.01376	0.9
158.03561	0.7
160.01566	2.8
161.04408	1.1
163.03915	1.6
173.04500	0.9
175.02390	2.1
175.03954	3.1
191.05606	0.9
193.05006	20.3
201.11290	1.0
202.02609	2.6
205.05016	1.0
209.06252	0.8
209.11749	0.9
240.99771	0.6
242.38773	0.7
271.02567	0.6
300.02811	0.6
308.18222	0.7
337.09082	0.8
357.10864	0.8
503.32339	1.4
509.45706	0.7
575.30682	0.9
661.34485	1.0
679.35571	100.0
680.35864	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	679.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03322	1.7
58.00467	1.8
59.01254	35.4
66.36519	0.7
69.03321	1.8
69.29514	7.0
71.01259	37.0
71.15773	0.7
72.99197	3.2
73.02823	6.2
75.00736	2.2
78.95775	1.8
78.99966	0.6
80.96408	0.9
81.03341	1.5
83.01247	3.4
85.02829	7.2
87.00754	8.0
89.02324	30.6
91.74081	0.6
95.01289	3.3
96.96806	0.6
97.02835	5.9
99.00778	1.5
101.02331	30.7
101.03011	1.5
109.02873	1.0
111.00789	0.9
111.04406	1.5
113.02338	13.9
115.03925	1.3
119.03400	10.2
123.04397	0.8
125.02350	13.7
126.21711	0.7
131.03407	1.5
132.86977	0.7
133.04929	0.9
135.04433	0.7
137.02350	1.5
139.03859	1.3
143.03436	5.0
151.03871	1.2
152.99449	0.8
161.04460	7.3
167.03329	0.9
179.05530	5.2
199.06088	0.9
217.07191	1.0
221.06601	2.6
235.08194	12.5
253.09254	4.0
255.23305	0.8
263.07727	1.8
277.09344	1.2
281.24869	100.0
282.25241	9.1
287.07648	3.3
289.07303	1.7
290.07617	1.0
305.08899	3.1
323.09644	1.2
397.13531	70.7
398.13821	5.0
415.09003	1.5
415.14597	31.6
416.15002	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	679.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.2
59.01254	17.5
59.64106	1.0
64.03320	0.9
69.96711	4.6
69.97119	2.1
71.01254	28.2
72.99190	5.3
73.02823	2.2
75.00744	28.6
83.01254	3.5
85.02821	25.7
87.00758	9.5
89.02315	8.7
95.01250	2.8
97.02830	3.1
99.00758	9.1
101.02327	7.6
111.00800	1.2
113.02332	32.3
115.00263	2.9
117.01810	2.3
119.03378	1.3
122.08842	1.0
129.01791	1.4
131.03389	3.3
148.03477	1.0
157.01303	1.4
173.04478	7.0
175.02356	2.2
191.05519	1.6
193.03447	1.7
208.83539	1.3
231.46954	1.0
235.04503	1.6
253.30832	1.1
269.73199	1.1
362.56238	1.2
589.24963	15.7
590.25519	2.0
619.25812	2.2
643.25751	3.0
661.27173	1.3
679.28149	100.0
680.28632	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	679.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27103	0.7
52.13625	0.7
54.47730	0.6
55.01746	1.8
55.38615	0.6
56.03756	0.8
56.53416	0.7
57.03335	4.3
59.01252	32.9
63.55447	0.6
67.01743	0.8
68.99672	1.2
69.03328	0.6
69.42624	6.3
71.01255	22.7
72.99176	5.1
73.02823	4.1
75.00747	26.8
83.01252	3.1
85.02824	24.8
87.00750	8.2
89.02319	5.1
94.59723	0.7
95.01279	4.8
97.02837	1.3
99.00764	10.0
101.02325	5.2
103.00233	0.8
111.00739	1.5
113.02335	29.0
114.02642	0.8
115.00245	2.5
117.01816	2.1
119.03417	1.2
119.04910	2.6
125.02318	1.5
129.01802	2.0
134.03665	4.2
134.11951	0.7
145.08582	0.8
157.01352	1.5
160.01508	2.1
160.03992	0.9
161.04446	2.1
173.04370	0.9
175.02391	3.7
175.03938	2.5
193.04984	3.0
201.03949	1.4
205.04953	1.6
271.02570	0.8
312.86407	0.7
337.09238	2.2
341.12943	1.2
377.07260	4.5
395.08038	1.3
417.24942	1.3
487.25735	0.7
531.15369	0.9
617.28265	0.9
635.29181	100.0
636.29529	15.1
679.28107	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	679.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54110	1.0
55.01751	1.3
55.94661	1.0
57.03317	3.3
59.01257	17.9
69.51720	9.1
71.01254	29.5
72.99192	6.4
73.02807	3.1
75.00750	28.9
83.01256	3.4
85.02826	27.1
87.00754	9.9
89.02312	8.9
95.01245	3.3
97.02840	1.8
98.20544	2.1
99.00764	10.0
101.02326	8.2
103.00238	1.6
113.02334	30.0
114.96320	1.1
115.00247	3.5
117.01831	1.9
119.03396	1.1
131.03438	5.1
173.04463	8.1
175.02373	2.5
191.05554	3.0
193.03461	2.8
199.82445	1.0
235.04590	2.2
371.57874	1.0
412.82852	1.1
589.24969	17.1
590.24969	1.9
619.26318	6.7
643.26251	3.1
661.27216	2.1
679.28137	100.0
680.28577	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	679.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.6
57.03328	3.7
59.01250	46.5
65.51734	1.9
71.01260	41.2
71.07098	3.3
71.07434	1.8
72.01581	1.9
72.99194	10.2
73.02827	2.6
75.00751	20.5
83.01263	2.1
85.02827	30.4
87.00766	12.0
89.02313	16.3
95.01242	6.6
99.00774	9.7
101.02328	6.6
103.00253	5.1
113.02338	44.5
114.02689	2.0
115.00256	2.8
117.01837	2.7
119.03406	3.4
123.52692	1.6
129.01784	3.3
161.13284	11.1
175.02393	3.8
187.11191	5.9
193.84467	1.6
205.12250	12.4
207.04878	1.8
227.61755	1.8
231.05054	2.6
249.06146	19.8
249.11290	3.4
267.07211	60.3
268.07581	3.6
272.46262	1.6
312.91208	1.6
455.19183	13.8
456.19379	2.2
481.17151	2.2
499.18228	55.9
500.18396	6.9
520.29431	1.8
679.24554	100.0
680.24927	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	679.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87755	0.4
55.23175	0.4
57.03352	1.2
59.01251	8.9
67.66575	0.4
68.99715	0.5
71.01260	6.9
71.01606	0.6
71.57787	0.7
72.99210	1.3
73.02839	0.5
75.00749	3.3
77.20126	0.4
78.20441	0.5
83.01285	0.5
83.04897	0.6
83.17961	0.5
85.02837	5.7
85.03295	0.5
87.00792	1.5
89.02307	2.3
94.02897	1.3
95.01311	1.1
96.95886	2.2
98.02360	0.5
99.00764	2.0
101.02376	1.3
103.00346	0.5
108.02084	0.9
108.04476	1.7
109.02879	0.7
113.02332	7.7
113.03056	0.5
119.03448	0.5
120.04472	0.7
122.06004	7.1
124.03998	1.2
129.01976	0.5
134.06067	0.9
135.06883	0.5
136.03973	3.2
136.07584	8.1
136.08566	0.6
138.05560	1.7
142.09547	0.5
149.83809	0.4
150.05515	7.2
152.01138	0.7
152.07088	1.3
161.13345	0.8
165.01917	0.5
170.16777	0.4
175.02550	0.5
176.03398	0.4
185.09694	0.5
186.09134	2.6
187.11163	1.1
191.77489	0.4
201.06516	2.0
202.07336	1.2
202.08876	1.1
202.12395	1.2
203.05843	0.7
205.12402	1.0
212.10837	1.2
214.07283	0.7
215.08084	2.1
228.10292	2.5
229.09779	11.5
230.11993	7.1
240.09042	0.6
244.08592	0.5
245.09291	3.9
245.13075	0.8
246.11453	0.6
249.06128	2.4
255.11398	4.0
257.09277	5.5
258.09985	0.9
263.10367	0.7
267.07208	12.0
268.07629	1.0
273.12448	19.6
274.12769	1.2
275.10422	1.6
275.15182	0.7
291.13641	0.5
299.10306	0.8
315.07193	0.8
317.11426	18.8
318.11688	1.7
334.11880	1.1
335.12491	100.0
336.12796	8.6
343.13083	1.1
366.54468	0.5
386.10239	0.6
437.18063	0.6
455.19247	2.9
499.18167	7.3
500.18561	0.7
635.29480	2.1
679.24603	17.5
680.25348	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	679.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.8
57.03321	3.2
58.00471	2.0
59.01255	43.8
60.01591	0.8
67.01773	1.6
68.99688	1.5
69.03336	2.2
71.01257	37.5
71.58310	1.5
72.99186	8.1
73.02814	2.9
75.00752	16.9
78.03941	0.8
81.03284	0.9
83.01241	2.6
83.04844	1.1
85.02827	30.6
87.00748	9.7
89.02326	14.6
91.03891	0.9
93.03358	1.3
95.01266	6.4
96.95892	24.4
98.95465	15.1
98.96291	2.4
99.00767	10.1
99.04406	1.8
101.02337	6.7
103.00272	2.8
113.02338	37.0
115.00274	2.9
116.92773	1.2
117.01805	2.3
119.03374	3.4
125.02370	0.9
129.01834	2.2
135.04398	4.8
157.01228	1.2
161.02354	3.8
161.13266	6.5
175.02473	3.9
177.69414	0.9
179.03421	4.5
187.11214	6.7
205.07079	2.2
205.12289	13.9
207.05098	1.4
225.07635	1.0
225.64980	0.9
227.03415	2.7
229.09691	1.0
231.05202	1.1
231.10191	1.5
249.06158	24.7
249.11320	5.5
255.02998	6.0
256.03525	1.3
267.07217	53.6
268.07605	2.1
284.03238	9.6
285.03909	2.0
285.30521	0.8
299.02075	1.4
307.13028	1.2
323.15015	2.2
335.12274	1.7
429.17572	1.4
437.18222	1.8
455.19238	9.0
481.17316	3.0
499.18262	60.4
500.18527	8.8
515.97839	1.0
517.19592	1.1
635.16479	7.3
636.17542	1.0
661.23267	1.7
679.24579	100.0
680.24835	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	679.1517
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
51.06485	0.6
58.38097	0.7
59.01269	3.4
60.03542	0.6
65.00185	0.8
71.45210	1.2
72.99170	1.0
73.75761	0.6
75.75928	0.7
79.74786	0.7
85.02822	1.8
87.00768	1.3
89.02319	1.2
93.03344	0.7
96.95889	0.9
97.74975	0.7
101.02361	0.9
107.01292	1.1
113.02335	2.2
113.11721	0.7
132.02072	2.0
135.00719	1.1
151.00299	1.9
163.00401	0.9
164.01010	0.8
178.99747	1.7
183.04453	1.3
187.03874	0.7
193.04979	0.8
199.04027	1.0
211.03893	1.6
213.01990	0.8
227.03468	46.4
228.03790	2.7
229.05205	1.0
239.03476	1.1
255.02982	84.2
256.03461	9.4
257.04517	1.1
267.07251	3.5
283.02533	1.7
284.03281	100.0
285.03851	13.0
286.04462	0.9
291.67773	0.9
344.54953	0.8
366.82050	0.7
440.96964	0.8
471.09375	2.0
499.18115	1.9
622.50647	0.8
635.16205	63.8
636.16614	9.2
679.25403	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	679.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34256	1.4
57.03311	3.3
59.01255	31.9
69.76252	1.4
71.01261	28.7
72.99177	4.2
73.02843	2.2
75.00750	13.2
85.02828	23.6
87.00742	9.7
89.02328	9.8
95.01268	4.7
98.20606	4.2
99.00751	8.0
99.04410	2.4
101.02321	4.8
103.00271	1.5
113.02340	32.1
115.00307	1.9
117.01812	1.9
119.03442	1.3
129.01826	1.8
131.23946	1.3
143.37622	1.5
159.36061	1.4
161.13248	4.3
175.02382	3.0
179.91669	1.7
187.11229	3.8
192.67703	1.4
205.12251	7.8
207.05090	1.6
249.06174	14.9
267.07239	45.9
268.07510	2.3
335.12427	5.5
455.19214	16.5
499.18216	46.4
500.18719	4.1
679.24585	100.0
680.24811	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	678.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.8
67.91833	0.1
69.08401	0.1
70.40150	0.1
71.01257	0.7
71.13726	0.2
72.99207	0.2
73.02821	0.1
75.00737	0.3
80.04149	0.1
81.91372	0.1
85.02822	0.3
87.00777	0.1
89.02321	0.3
92.63480	0.1
95.01212	0.2
96.95880	0.1
99.00777	0.2
101.02341	0.3
109.02840	0.2
113.02350	0.4
116.04954	4.2
117.05273	0.2
119.04922	0.2
123.00753	0.2
125.02326	0.1
131.03622	0.2
132.04449	0.3
134.03659	0.4
135.04456	0.1
143.04501	0.1
159.03125	0.6
160.03958	100.0
161.04309	4.4
163.03908	0.2
166.99707	0.2
168.00574	0.2
174.01900	0.2
175.03935	0.2
179.03328	0.1
193.05022	0.4
199.06213	0.2
204.02991	2.6
205.05110	0.2
227.05807	0.3
249.05931	0.1
304.08008	0.2
306.07562	0.1
307.08124	0.1
308.12891	0.2
311.11465	0.2
322.09146	0.1
366.08347	0.4
472.20255	0.1
507.22693	0.1
516.18677	0.4
532.15533	0.1
634.25000	0.7
635.26538	0.2
647.23053	0.2
678.23956	12.4
678.32440	0.6
679.24396	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	677.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02840	0.3
59.01241	1.0
69.49696	1.5
69.50111	0.5
71.01241	0.8
73.02847	0.3
75.00737	0.3
80.04926	0.3
81.03335	7.0
83.04900	19.3
84.05230	0.5
84.13882	0.2
85.02827	0.6
89.02319	0.4
93.03320	0.3
96.95876	0.2
99.00747	0.4
100.07569	0.5
101.02331	0.5
107.06009	0.6
108.04418	0.7
113.02305	0.5
116.04978	0.3
119.04920	3.9
120.05207	0.3
125.02330	0.3
125.07085	1.1
126.05499	0.5
143.08156	0.5
151.00291	0.2
154.52858	0.2
160.03960	7.0
160.05293	0.4
163.03923	2.9
165.01927	0.2
173.04460	0.4
175.00256	0.5
175.03847	0.3
181.16876	0.3
190.02655	1.2
193.81882	0.3
204.02870	0.2
205.04974	1.0
207.14981	1.8
208.13382	0.3
209.12103	0.2
212.30904	0.3
224.17659	3.2
225.07487	0.3
225.16051	12.2
226.16347	0.8
237.54716	0.2
242.18745	1.0
260.14154	0.2
268.16534	0.4
290.22357	0.4
309.21704	0.8
324.26501	0.8
333.22931	1.0
339.27490	0.3
341.29153	1.2
351.23834	0.3
367.10281	1.3
367.27023	1.0
368.10825	0.3
385.28165	0.4
433.31973	1.1
450.34427	1.4
451.32953	6.6
452.33365	0.7
531.15070	1.4
550.43317	0.9
593.43793	0.7
633.27789	0.4
659.48737	1.1
677.49701	100.0
678.24469	1.2
678.50012	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	677.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	31.7
61.98702	21.9
70.77430	8.5
70.77741	4.8
71.01261	19.4
73.67545	4.2
75.00761	16.2
78.95774	24.3
85.02843	5.2
87.82058	4.1
89.02350	6.2
101.02325	7.7
113.02323	6.2
152.99510	7.9
161.04645	5.6
174.01724	4.9
177.09203	7.0
193.12192	4.9
205.12308	7.4
211.13405	34.4
220.14679	46.4
221.15445	100.0
236.10506	95.4
236.72365	5.2
237.11096	9.5
270.48560	4.6
289.18185	6.1
293.17596	73.9
293.20657	5.9
294.17868	6.4
359.03110	6.4
385.11374	5.9
677.34277	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	677.464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42701	9.4
59.01262	86.6
61.98705	43.5
64.21078	10.3
69.59438	10.2
71.01270	34.0
73.02840	9.6
73.68316	9.0
76.79907	10.2
78.95784	35.4
80.96375	10.3
85.02852	12.2
87.00779	10.6
89.02322	29.4
97.89066	12.0
101.02337	27.5
113.02283	9.6
147.44768	10.1
151.11084	11.5
152.99506	18.9
165.12778	24.1
179.10815	11.8
181.12280	24.1
191.10629	11.1
209.11826	100.0
245.19110	11.3
277.21753	40.9
278.22086	36.1
279.22198	23.0
289.18152	17.2
307.19098	50.8
397.13931	13.0
398.14023	18.7
399.14105	24.8
416.14859	20.4
417.15012	17.6
624.73468	10.4
675.70282	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	677.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85182	0.3
55.01752	1.0
57.03327	1.1
58.00471	2.3
59.01252	39.8
60.01582	0.4
60.92071	0.2
61.98703	0.9
67.01771	0.3
68.99690	0.7
69.03321	1.8
70.77534	0.3
71.01254	37.1
72.01598	0.6
72.99191	3.1
73.02816	6.2
75.00755	1.1
77.70965	0.2
78.95777	4.2
81.03332	1.7
83.01261	4.2
83.04898	0.4
85.02826	7.8
85.99959	0.5
87.00755	9.4
87.04411	0.3
89.02319	29.2
90.02708	0.2
91.03898	0.8
92.83376	0.2
93.03339	0.6
95.01260	2.8
96.96824	0.7
97.02832	6.7
99.00764	2.4
99.04404	0.5
101.02324	29.9
102.02689	0.4
103.00269	0.3
103.03912	0.5
107.65839	0.3
109.02834	0.8
111.00739	0.5
111.04401	1.0
113.02333	14.4
115.03893	0.7
119.03391	10.9
121.02856	0.9
123.00777	0.4
123.04375	0.5
124.01456	0.3
125.02338	13.2
126.02714	0.3
127.03906	0.5
131.03426	1.7
131.04251	0.3
133.04973	1.2
136.30463	0.3
139.03900	0.8
141.01831	0.5
143.02339	0.5
143.03404	5.9
144.03706	0.3
149.04485	0.9
152.99501	4.4
161.04462	6.5
163.03981	0.3
167.03415	0.7
169.05017	0.4
171.02956	0.2
179.05530	6.2
179.06982	0.5
185.04466	0.5
199.06068	0.6
203.05576	0.4
217.07178	1.1
219.05070	0.6
221.06656	2.1
222.07169	0.3
223.00134	0.4
235.08194	14.2
236.08530	0.6
241.01131	1.3
245.06712	1.0
253.09233	4.1
261.22198	0.5
263.07776	1.7
277.09344	1.0
279.23288	100.0
280.23624	8.1
287.07736	2.6
288.08167	0.3
293.24857	0.3
305.08792	3.6
315.04907	0.4
323.09836	1.8
355.03030	0.5
361.11285	0.7
379.12448	1.0
397.13498	66.4
398.13800	4.7
415.14563	29.8
416.15106	2.2
522.52612	0.3
595.28937	4.7
596.29218	0.7
677.38544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.5
57.03329	1.3
58.00479	1.6
59.01254	42.7
69.03331	2.3
69.79433	0.3
71.01257	35.1
72.01597	0.5
72.99189	2.2
73.02821	5.9
75.00760	0.8
81.03320	1.7
83.01257	4.1
83.04894	0.6
85.02824	7.6
87.00755	8.5
89.02322	30.0
90.02638	0.5
91.03899	0.5
93.03374	0.4
95.01274	2.3
95.04886	0.4
97.02837	7.0
99.00774	2.1
99.04397	0.5
101.02327	28.7
102.02675	0.5
103.00271	0.5
109.02827	0.5
111.00784	0.8
111.04408	1.4
113.02335	14.5
114.02651	0.4
115.03880	0.6
117.77837	0.3
119.03395	9.5
121.02843	0.5
124.01524	0.6
125.02349	12.4
126.02624	0.3
127.03911	0.7
129.01762	0.3
131.03349	1.8
133.04979	1.0
137.02386	0.4
139.03897	1.0
141.01833	0.9
143.02370	0.2
143.03403	6.3
149.04460	0.9
161.04483	6.7
164.80115	0.3
167.03398	1.0
169.04967	0.4
171.02864	0.4
179.05533	6.7
185.04556	0.8
198.73312	0.3
199.06071	0.7
203.05658	0.4
217.07150	1.2
219.05022	0.6
221.06590	2.9
235.08195	13.8
236.08592	0.6
245.06479	0.7
253.09236	3.5
263.07675	1.1
277.09274	0.8
278.69928	0.3
279.23294	100.0
280.23648	7.7
280.26697	0.4
287.07767	3.1
298.88342	0.3
305.08850	3.2
323.09830	2.1
361.11407	0.7
379.12311	0.9
379.17487	0.3
386.06290	0.3
397.13513	66.4
398.13815	4.6
415.14584	27.0
416.14819	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	677.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
65.58388	0.2
69.03321	0.2
71.01254	0.4
72.99191	0.3
79.95618	2.6
85.02827	0.3
87.00748	0.2
96.95894	100.0
97.95821	0.3
99.00775	0.2
109.02883	0.3
125.02354	0.6
149.02396	0.2
151.00317	0.2
187.20462	0.2
188.14548	0.2
223.09760	0.2
255.03038	0.6
271.02451	0.8
271.05133	0.2
300.02814	1.8
301.03503	0.2
306.07721	0.3
524.16425	0.3
579.13934	1.4
677.23602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49641	1.1
55.30099	1.1
56.71096	1.1
59.01254	6.2
67.76825	1.1
71.01517	1.7
71.01868	2.6
78.95777	4.0
88.68412	1.4
95.06175	1.2
96.95886	5.3
109.45107	1.0
123.39942	1.1
137.82874	1.2
142.87819	1.3
152.99443	1.9
171.10205	1.2
293.21204	11.5
327.21713	1.9
366.25323	1.9
387.34589	1.3
438.13037	2.7
452.14847	1.8
481.15173	17.3
482.15628	2.9
495.16830	4.0
539.15698	1.5
540.16486	5.2
555.18829	30.5
556.18921	8.1
572.15454	8.6
573.15857	1.7
586.17499	1.6
641.22540	35.7
642.23242	7.7
677.20245	100.0
678.20428	25.1
688.42194	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81488	4.5
59.01254	29.6
61.98698	22.7
66.73022	5.1
69.94639	22.4
71.01262	8.9
73.76184	3.7
75.00743	23.2
78.95791	18.6
98.20467	5.2
101.02349	6.5
113.02324	7.3
116.92697	5.4
126.65746	4.8
139.94382	4.1
152.99493	5.1
171.10249	7.0
183.13916	5.6
209.11745	9.9
211.13348	100.0
220.14696	12.5
221.15474	31.2
234.11386	4.6
236.10550	19.5
270.07632	4.9
293.17584	14.4
293.84241	4.1
294.50085	5.2
308.17743	5.0
378.94589	5.7
400.45685	4.3
447.22446	10.1
623.34387	19.0
641.35260	10.2
677.33807	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	675.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	100.0
60.01591	0.8
61.98719	0.8
63.74418	0.4
71.05901	0.5
71.06216	0.7
78.95795	1.4
89.02303	0.5
145.23344	0.4
152.99519	0.6
197.11864	1.0
211.13414	1.3
227.12767	0.7
255.23169	0.6
289.18124	0.7
291.19641	2.9
293.21558	0.7
307.19333	0.7
309.20740	6.1
309.23865	0.7
310.21201	0.6
311.22260	0.7
340.96671	0.5
373.79446	0.4
389.31195	0.5
439.17865	0.7
581.97437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.9
57.03314	1.3
58.00462	2.5
59.01252	52.9
60.01585	0.5
61.98717	0.7
66.51875	0.3
69.03328	2.6
71.01253	41.1
71.49594	0.6
71.49941	0.6
72.01594	0.7
72.99165	2.9
73.02818	7.3
75.00749	0.9
81.03330	1.8
83.01253	4.5
85.02823	9.6
87.00754	10.5
87.04365	0.5
89.02319	34.1
95.01266	2.8
97.02831	7.7
98.03206	0.5
99.00764	2.0
101.02322	32.7
102.02681	0.4
103.00196	0.4
103.03886	0.4
109.02829	0.8
111.00742	0.6
111.04445	0.6
113.02332	16.4
115.03889	0.8
119.03388	10.4
120.07919	0.3
121.02828	0.7
123.04457	0.4
125.02335	14.2
126.02744	0.4
127.03877	0.9
131.03406	1.9
133.04947	1.0
137.02301	0.4
139.03935	1.1
140.16325	0.4
141.01833	1.0
143.03401	6.6
144.36996	0.4
144.40367	0.3
149.04453	1.6
157.05045	0.5
161.04477	7.7
167.03430	1.1
169.05092	0.4
171.02945	0.4
179.05518	7.0
181.04887	0.4
185.04436	0.7
199.06100	0.7
203.05605	0.9
217.07094	1.1
221.06604	2.8
235.08192	15.8
243.24844	0.4
245.06567	0.9
253.09238	4.7
259.20657	0.4
263.07687	1.6
275.20056	0.4
277.09290	1.3
277.21719	100.0
278.22061	8.9
287.07660	3.2
291.23532	0.4
303.75757	0.4
305.08679	4.5
306.09564	0.4
323.09735	1.4
355.95648	0.4
361.11334	0.7
379.12463	1.3
397.13495	73.7
398.13815	6.2
415.14548	33.8
415.22726	0.7
416.14703	2.6
508.49176	0.3
614.66852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	21.7
61.98708	7.0
69.42259	8.9
69.42664	53.8
70.39246	7.5
71.01233	11.7
72.86974	6.1
74.38513	6.4
101.02322	13.3
120.61522	6.9
131.44040	6.3
165.12762	17.7
171.10165	17.5
181.08530	7.2
183.13838	100.0
184.14201	8.8
185.11778	34.6
207.24133	7.1
209.11736	19.7
211.13312	48.0
212.13797	9.0
227.12959	9.3
229.14389	53.9
235.08142	10.0
253.09122	11.6
314.55130	6.6
410.48383	6.8
621.32959	18.8
631.33459	24.0
639.34412	10.4
657.34723	48.7
658.34546	7.6
675.35925	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.3
57.03311	1.8
58.00468	2.7
59.01254	56.8
61.02811	0.4
63.08673	0.5
69.03331	2.1
69.26164	4.1
69.26583	1.6
71.01257	45.2
72.01614	0.5
72.99190	2.8
73.02821	7.5
75.00750	0.8
81.03323	2.3
83.01264	4.7
83.04909	0.8
85.02343	0.9
85.02824	9.5
87.00755	11.1
87.04378	0.7
89.02320	38.0
90.02664	0.8
91.03838	1.1
95.01257	3.3
97.02838	7.5
99.00771	2.3
99.04399	0.8
101.02328	35.5
103.00301	0.5
109.02850	0.9
111.00787	0.8
111.04424	1.3
113.02335	17.8
115.03911	1.0
119.03399	11.5
124.01591	0.7
125.02348	13.6
127.03882	0.6
131.03404	2.2
133.04991	1.5
139.03899	1.5
141.01872	0.5
143.03418	8.4
149.04468	1.5
155.03410	0.7
161.04483	9.5
167.03389	1.3
169.04984	0.5
171.02902	0.6
179.05536	7.1
185.04543	0.9
199.06133	0.8
217.07173	1.6
219.05016	0.6
221.06610	3.0
235.08194	15.5
236.08641	0.9
245.06627	0.8
253.09332	3.7
263.07700	2.2
277.09317	1.8
277.21738	100.0
278.22116	8.4
287.07681	3.1
305.08951	3.4
323.09900	2.2
361.11569	0.7
379.12424	1.2
397.13510	71.1
398.13895	4.7
415.14581	32.2
416.14810	2.7
503.65256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.4
57.57852	1.5
57.85187	1.1
59.01256	6.5
64.55820	1.3
68.17024	1.4
69.46428	2.3
69.46836	10.1
71.01266	4.0
74.36800	1.3
80.04924	2.9
83.01270	1.7
85.02809	1.6
89.02312	2.3
94.06515	2.2
96.95890	27.7
101.02301	1.7
104.04956	3.1
106.06508	15.9
107.60703	1.2
108.04454	1.8
108.08031	1.6
109.02828	4.6
113.02374	1.8
120.04443	5.3
121.02914	1.5
122.06016	16.6
123.03093	1.9
123.04409	3.0
124.07587	2.1
125.02335	20.2
132.04453	3.0
132.08043	3.3
134.06032	3.2
134.09618	1.7
136.03915	1.5
137.02321	3.4
138.05522	11.8
138.15999	1.2
148.03917	3.0
150.05525	21.8
151.03877	1.8
152.07047	6.4
160.07539	2.3
161.02406	6.5
163.00308	1.5
163.03833	2.0
169.01186	1.3
175.03871	1.5
178.05022	1.8
183.09048	1.5
202.12335	2.3
205.04997	1.7
209.11829	3.6
211.12233	1.8
215.11850	2.1
224.09462	2.1
225.10138	3.4
229.09799	3.2
231.11310	2.7
235.09906	1.6
237.10176	2.2
238.11090	36.8
239.11499	2.0
241.09830	8.7
243.11293	3.2
251.11893	4.3
253.13448	62.4
254.13713	5.3
257.09195	1.7
259.10876	5.2
269.09360	1.5
271.10901	8.5
279.11008	2.1
285.12418	1.5
289.07175	8.5
289.11969	8.0
297.12494	1.9
301.11871	2.5
333.10794	1.6
343.11694	2.6
387.14493	6.3
420.15988	2.1
468.17795	10.8
494.19055	2.6
505.14899	6.9
549.17493	2.6
569.23834	18.5
599.24597	1.4
613.22992	34.9
614.23590	6.8
631.24060	100.0
632.24377	16.0
643.24377	3.1
675.20868	1.9
675.32007	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	675.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01824	0.8
56.22462	0.8
57.03324	12.4
59.01251	2.7
63.02276	1.0
67.01762	2.3
69.03339	0.9
69.78771	0.8
69.92535	4.1
71.01257	2.8
81.03326	2.6
83.01265	5.2
85.02833	2.3
87.00750	1.7
93.03344	9.1
95.01262	1.5
95.04903	3.5
96.95890	25.1
97.02824	4.5
98.20438	1.3
101.02424	1.2
107.04893	1.5
108.02073	2.6
109.02837	19.5
111.04382	1.3
117.03320	1.1
119.04919	4.4
121.02838	3.2
122.03693	1.2
123.04407	14.4
124.01540	0.9
125.02339	100.0
126.02690	3.3
133.02853	3.1
134.03664	2.0
135.04434	2.9
135.08052	3.5
137.02365	17.0
137.05965	1.3
139.00180	1.0
139.03909	3.4
145.02763	0.9
149.02328	5.3
149.05865	1.0
151.00296	1.7
151.03905	8.8
151.11395	0.9
152.00945	1.9
159.04417	3.2
160.05159	1.3
161.02350	20.2
161.05998	5.2
162.03043	3.0
163.00278	1.6
163.03917	6.4
164.01099	4.7
165.01872	5.5
167.03337	1.5
173.04494	2.1
174.03236	1.2
175.03894	7.3
175.07561	2.4
176.01114	1.3
177.01859	3.9
178.99751	1.1
179.03418	4.3
179.07040	20.4
180.07414	1.4
184.53607	1.0
185.05891	1.0
187.03920	3.8
188.04796	2.6
189.01898	1.6
191.03810	1.1
191.05521	6.9
191.07071	2.6
193.05070	2.5
196.94098	1.0
201.05434	2.3
202.06183	1.9
203.03378	1.5
203.07028	10.2
205.01408	2.9
205.04933	6.2
217.05168	1.5
217.08678	1.8
219.06566	7.0
221.08293	2.5
223.09703	32.5
224.10005	1.7
227.07065	1.4
229.05063	2.8
231.06601	2.2
241.05305	1.4
245.04549	3.6
245.08142	11.1
247.06348	1.1
253.05132	1.4
255.02919	4.1
257.04459	1.0
262.08469	2.9
281.04434	1.6
282.27783	1.0
284.03015	1.4
285.03986	1.2
287.05597	4.0
289.07181	61.8
290.07526	3.8
299.05627	5.3
299.08780	1.1
337.09445	1.8
339.08768	1.7
341.10165	1.1
343.11789	3.2
361.07230	1.9
367.11652	1.2
371.11246	4.8
379.08163	2.1
381.09750	1.2
385.12943	18.6
386.13278	2.3
407.07709	9.1
451.10098	10.1
452.10681	1.4
461.12180	2.8
468.65814	1.2
469.17218	1.0
483.49261	1.0
499.14969	2.0
505.08157	1.7
505.15073	18.9
506.15317	3.0
523.16113	21.0
524.16370	3.3
577.13873	2.3
675.20032	15.1
675.30597	1.3
676.20782	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	675.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	10.8
59.01244	7.3
64.61932	2.3
71.01259	8.8
71.78739	2.9
73.02853	2.6
81.03381	3.7
83.01254	6.7
87.00729	2.6
89.02290	3.9
93.03344	5.4
95.01270	6.6
96.95889	18.5
97.02839	5.0
101.02341	2.9
108.02017	4.1
109.02847	24.2
113.02297	6.4
119.04919	9.7
121.02819	4.8
123.04433	13.7
125.02342	100.0
135.04398	4.5
137.02342	22.7
139.00336	3.1
139.03935	4.0
139.43248	2.6
145.02855	3.4
146.03569	2.7
149.02362	5.8
151.00287	3.2
151.03963	17.3
152.01045	6.0
160.01651	2.9
161.02333	27.3
161.05960	6.4
162.03061	3.1
163.03853	14.5
164.01076	4.7
165.01840	4.1
173.04478	3.1
175.03934	15.3
175.07539	3.0
177.01834	8.7
179.03429	3.6
179.07068	13.9
187.03889	7.4
189.01773	3.6
191.03500	2.8
191.05382	3.4
191.07062	4.2
193.05121	4.0
203.07077	9.3
204.07285	2.7
205.05040	5.9
215.03433	2.9
223.09723	25.8
229.05029	3.7
231.06464	3.1
245.08182	10.7
255.02934	8.9
262.08368	3.4
271.02679	2.5
271.06049	3.6
281.04501	4.1
287.05667	3.9
289.07172	59.8
290.07700	3.6
299.05609	6.1
339.08542	3.9
371.11499	10.5
385.12912	22.3
386.13318	4.5
397.14517	2.8
407.07797	19.6
443.53787	2.5
451.10324	11.9
461.12170	6.3
479.16049	3.0
501.13843	3.0
505.15079	40.0
506.15359	7.5
523.16058	60.4
524.16614	11.1
585.70264	3.2
675.20032	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	675.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	13.4
58.00491	1.1
59.01255	14.6
61.98709	2.9
65.00189	1.0
69.03363	1.9
69.76039	5.9
71.01262	14.3
72.99195	2.6
73.02795	2.5
75.00772	1.8
81.03335	2.7
83.01265	5.3
85.02843	4.3
87.00773	2.2
89.02318	6.6
93.03349	1.9
95.01277	1.7
95.04926	1.8
96.95898	4.5
97.02860	3.9
99.00751	6.0
101.02320	6.6
101.09766	1.0
101.44138	1.1
109.02843	15.5
111.00779	2.3
113.02328	4.6
113.99465	8.6
117.03362	3.5
119.04939	3.8
119.08606	2.3
121.02839	3.4
122.03656	1.8
123.04420	11.8
124.01566	1.2
125.02350	100.0
126.02706	3.1
127.03919	1.2
133.02866	4.3
134.03662	1.3
135.04410	2.6
137.02361	18.8
139.03914	2.6
143.04987	1.3
144.62767	1.1
145.02879	12.1
146.03490	1.3
147.04512	1.5
149.02327	6.1
150.03081	1.6
150.05502	1.4
151.00287	5.2
151.03920	8.5
152.01164	1.2
152.99486	2.5
156.00558	6.5
159.04430	2.9
160.05132	1.2
161.02376	26.5
161.04457	1.2
161.06032	3.2
162.03059	1.1
163.00357	1.6
163.03946	5.9
163.07568	1.4
164.01062	4.4
165.01859	4.5
165.05553	1.3
165.09178	1.7
171.10231	2.1
173.06073	1.1
174.01665	8.6
175.02660	1.1
175.03911	5.8
176.01073	1.5
177.01807	2.5
177.05556	2.0
178.99811	4.1
179.03439	3.5
179.07074	2.6
181.08720	1.6
186.00032	1.1
187.03976	4.3
187.07512	1.5
188.04739	2.7
189.05524	1.4
190.02736	1.4
191.07089	5.1
197.05942	1.1
199.09837	1.6
201.05493	1.6
201.11304	1.9
202.06364	1.5
203.07095	6.6
205.01410	1.3
205.05032	9.1
205.08852	1.4
209.11809	12.5
210.12180	3.8
211.13345	3.8
217.04990	2.0
219.06705	1.1
223.09772	2.3
225.11212	1.5
227.03481	2.7
227.07178	1.4
227.12830	3.0
229.04987	1.7
229.14490	1.4
231.06665	1.9
235.09775	3.8
239.31433	1.1
243.03181	1.2
245.04529	5.4
245.08098	10.8
247.06126	2.2
253.05226	1.3
255.02966	4.6
256.03864	1.7
257.04654	1.4
259.06137	1.9
269.04434	2.1
271.02405	2.1
281.04630	2.3
284.03391	2.7
285.04056	3.8
287.05557	5.2
289.04025	2.4
289.07202	36.1
290.07498	2.4
299.01978	3.2
299.12991	1.8
300.02551	2.5
303.08664	2.1
320.64767	1.1
329.16025	2.2
339.08951	1.8
343.11954	4.7
343.15643	1.4
345.15524	1.4
353.10495	1.7
363.16638	1.8
371.11429	1.9
381.10056	1.5
385.13315	1.3
387.14520	26.7
388.15070	3.0
397.12994	6.4
407.07669	9.6
408.08325	1.6
435.27780	1.3
447.09128	1.3
451.10443	4.3
461.12567	3.6
505.15070	34.7
506.15488	4.0
511.16061	1.6
523.16327	9.1
524.16351	1.5
531.15997	1.8
549.17639	9.1
550.17950	2.2
575.24896	6.1
578.12604	1.9
615.24628	4.8
631.25134	1.6
645.30566	1.3
657.22003	5.0
658.23676	1.6
675.20953	7.0
675.32733	6.0
676.22021	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	675.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
59.01246	1.6
59.42427	0.4
67.01759	1.8
69.03323	0.7
69.98701	1.8
71.01260	1.9
73.02839	0.5
81.03304	0.9
82.25944	0.4
83.04913	0.6
85.02824	11.9
87.00756	3.9
93.03338	13.5
96.95892	6.2
99.04405	0.6
109.02824	1.3
111.04398	2.5
119.04929	2.9
125.02350	0.4
127.03900	3.3
137.02318	0.7
143.04910	0.6
145.02798	0.6
152.60161	0.4
155.03383	0.9
163.03908	1.7
171.02914	0.9
173.04454	4.1
191.05544	100.0
192.05893	3.3
211.07556	2.9
243.36775	0.4
250.10677	0.4
265.08670	0.9
327.08780	2.5
337.09354	1.6
463.10938	0.4
483.13019	0.8
501.13901	0.8
657.19666	0.5
675.19324	36.7
676.19678	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	675.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58087	0.5
57.03320	1.6
57.74451	0.5
59.01245	4.0
60.99173	3.1
65.03836	0.7
67.01764	11.2
69.03324	4.2
71.01261	6.4
71.37991	1.0
71.38348	0.5
81.03332	2.6
83.01266	0.7
83.04903	1.9
85.02827	6.8
87.00755	17.7
89.02306	0.7
93.03339	83.9
94.03679	2.0
96.95914	1.2
97.02856	0.6
99.00754	1.7
99.04431	0.7
101.02293	0.7
109.02856	2.7
111.04412	11.1
113.02342	1.3
115.03931	0.6
117.03330	0.9
119.04920	32.1
119.22385	0.5
120.05248	1.0
121.02869	0.7
123.04439	0.9
125.02358	4.6
127.03914	2.0
129.01822	2.5
132.02069	1.0
133.02812	1.9
134.03644	6.1
135.04420	2.2
137.02339	2.5
145.02882	2.8
147.04338	0.9
149.05991	1.3
151.00243	0.8
151.03896	1.0
155.03409	2.9
160.01576	7.3
161.02373	8.2
161.04587	0.6
161.05997	0.6
163.02501	0.9
163.03920	18.4
173.04474	23.6
173.05991	1.1
174.04794	0.9
175.03922	8.7
176.04492	0.6
177.05447	2.2
179.03398	2.4
179.07074	1.1
191.05550	100.0
192.05898	3.4
193.05003	7.3
223.09645	1.2
289.07315	3.5
306.07532	1.2
323.07700	2.4
337.05423	0.7
337.09332	11.1
362.31879	0.6
379.10086	2.3
385.12921	1.1
407.07666	0.7
487.12399	0.9
499.14612	42.9
500.14847	4.7
501.14038	2.4
505.15097	1.2
523.15863	1.3
631.23413	0.9
675.19312	75.5
676.19611	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	675.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.8
59.01249	2.1
60.99184	4.8
65.03826	1.0
65.08034	0.3
67.01762	14.3
67.14924	0.4
68.34114	0.4
69.03329	3.4
70.01734	1.2
70.02130	0.8
71.01254	5.5
76.21505	0.4
76.75771	0.4
81.03342	3.6
83.01274	0.6
83.04906	2.4
85.02813	2.9
87.00754	21.3
93.03339	100.0
94.03685	2.5
95.01271	0.8
96.95912	1.7
99.00757	2.2
99.04399	0.8
101.02298	0.7
108.02024	0.7
109.02834	1.8
111.04410	12.9
112.04796	0.4
113.02335	0.9
117.03316	0.7
119.04922	33.3
120.05278	1.3
121.02851	0.5
123.04403	0.8
125.02325	1.6
127.03909	0.7
129.01875	2.0
132.02052	1.8
133.02887	2.2
134.03654	4.0
135.04463	2.1
137.02364	1.1
143.03383	0.5
145.02817	1.4
147.04446	0.4
149.05930	0.5
151.03967	0.9
155.03450	2.8
160.00269	0.4
160.01581	9.6
161.02368	7.9
163.03926	28.8
164.04282	0.9
173.04478	38.1
174.04820	1.0
175.03923	12.1
177.01926	0.5
177.05453	0.7
179.03441	2.1
191.05554	21.9
192.05862	1.2
193.04964	3.1
201.67743	0.4
203.03481	0.4
221.04294	0.5
223.09773	0.7
289.07236	1.5
300.02634	0.5
323.07721	6.6
337.09323	6.0
338.09778	0.6
351.10788	1.2
394.90799	0.4
459.11942	0.4
487.12418	2.2
501.14026	7.9
502.14542	0.8
505.15100	0.8
523.16217	0.8
675.19287	85.5
676.19635	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	675.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15567	0.4
57.94287	0.4
59.01250	0.7
69.68716	2.5
71.01247	0.6
81.16116	0.5
85.02823	3.9
87.00765	0.8
93.03331	2.2
111.04407	0.7
119.04908	0.7
127.03902	0.6
128.08665	0.4
130.26225	0.4
145.02872	0.6
163.03894	1.0
168.00560	0.6
173.04424	1.2
176.34706	0.4
191.05545	100.0
192.05931	3.4
312.07379	0.4
337.09286	20.2
338.09665	1.9
675.21484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50387	1.5
58.00488	2.4
59.01256	15.5
60.16419	1.5
61.98709	26.1
66.79179	1.4
69.03340	2.0
70.86295	2.0
70.86657	4.1
71.01260	49.1
73.02827	4.9
75.00739	1.6
78.81186	1.5
78.95771	11.3
81.03341	1.6
81.20673	1.4
83.01250	1.9
83.04905	5.6
85.02847	2.9
87.00750	5.4
89.02339	8.4
91.13467	1.3
97.02856	4.7
97.06540	2.0
99.00791	3.6
101.02326	10.8
109.06482	7.4
111.00835	1.6
113.02355	5.0
119.03378	1.8
125.09625	3.6
143.03363	1.8
152.99504	5.7
155.14265	1.6
161.04492	3.2
163.11186	10.3
165.12762	2.7
171.10176	13.8
179.05598	3.3
181.12268	8.9
183.13853	10.4
185.11775	4.3
191.10741	1.5
199.13367	24.7
201.11273	10.8
207.10217	27.2
209.11786	100.0
210.12100	7.0
211.13353	89.7
212.13725	3.6
215.12656	2.0
225.11316	23.2
226.11578	1.8
227.12862	79.1
228.13258	3.2
229.14398	3.7
235.08191	8.2
235.13243	2.6
242.39868	1.5
243.12317	4.3
247.13284	4.3
253.09288	16.5
253.14250	1.6
265.14517	2.1
275.20508	2.0
293.21155	2.8
311.22232	3.1
391.24966	2.9
397.13675	2.4
401.23196	7.6
419.24411	5.4
437.25214	2.5
445.20709	1.8
461.20309	5.1
463.21658	9.7
637.32538	6.0
655.33160	6.9
673.34332	25.7
674.34863	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	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.7
57.03341	0.6
59.01247	4.8
60.80537	0.6
63.28195	0.5
69.71227	1.4
69.71653	2.2
71.01257	3.9
73.02844	1.4
83.01254	0.6
85.02834	0.6
87.00750	1.3
89.02328	2.9
101.02348	3.2
109.06463	0.5
111.08029	1.3
113.02355	1.7
119.03398	0.8
145.04927	0.7
161.04480	1.2
165.12808	9.7
183.13849	100.0
184.14206	4.6
209.11798	5.0
211.13312	2.3
213.97943	0.6
225.11317	0.6
227.12846	7.0
235.08340	1.5
253.09294	3.7
295.38483	0.6
301.23840	0.6
445.20844	1.6
448.21774	0.6
463.21848	7.0
511.28928	1.0
629.35583	5.0
630.36169	0.8
655.33600	3.9
656.34021	0.9
673.34418	51.6
674.34753	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	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81781	1.9
58.00478	2.7
59.01256	18.4
61.98705	39.4
70.09617	4.1
70.10015	4.7
71.00896	3.3
71.01258	47.9
73.02823	4.8
78.95787	13.5
81.03320	3.2
83.04910	8.9
84.02045	1.6
85.02805	4.8
87.00759	3.8
89.02308	7.2
97.02831	4.5
97.06455	1.9
99.00778	4.0
101.02325	12.5
109.06477	8.1
113.02341	8.6
125.09646	4.6
138.93973	1.9
142.24443	1.6
143.03354	2.0
152.99503	7.7
161.04433	2.0
162.49393	1.9
163.03792	1.9
163.11214	8.9
163.81927	1.7
165.12732	6.3
171.10219	14.0
181.12238	6.7
183.13817	12.7
183.41304	1.7
185.11713	4.6
193.12268	2.4
198.43338	1.6
199.13335	26.9
201.11266	16.4
207.10205	31.1
208.10606	2.1
209.11781	96.1
210.12115	7.1
211.13345	100.0
212.13702	7.9
215.12868	2.4
225.11295	29.3
227.12852	81.9
228.13130	3.9
229.14403	4.3
233.06592	2.7
235.08150	6.6
243.12344	4.4
247.13516	3.9
253.09282	18.9
265.14462	2.5
295.22513	2.0
304.00479	1.8
311.22235	7.5
354.24380	1.8
383.22351	3.9
391.24808	2.6
401.23233	8.2
419.24219	6.3
461.19937	4.0
463.22076	11.8
519.61633	2.2
568.68146	1.9
637.32178	7.1
638.31750	2.5
643.06873	2.3
655.33478	9.1
656.33551	2.4
673.34216	25.8
674.34296	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	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70861	0.8
57.03320	4.9
58.00441	1.1
58.83904	0.9
59.01258	16.9
61.98711	2.2
67.05437	1.3
69.03332	6.0
71.01255	16.8
72.99192	2.7
73.02821	3.5
75.00745	2.2
75.06757	0.7
76.89379	0.9
81.03355	3.0
83.01261	1.1
83.04893	6.2
85.02831	11.4
87.00767	2.7
89.02315	6.9
93.03322	1.6
95.01285	3.0
95.04921	0.9
96.95897	3.3
97.02846	1.4
99.00761	1.4
99.04449	1.5
101.02318	7.4
107.01296	1.5
108.02057	37.4
109.02844	28.0
111.04417	3.0
113.02343	7.4
119.03389	1.0
119.04944	1.8
119.08543	4.5
121.02868	2.0
122.03653	1.2
123.00819	1.6
123.04404	2.3
125.02351	3.8
125.09630	4.4
134.03714	1.8
135.04390	1.5
135.08041	0.9
137.02368	4.6
137.09660	1.4
149.02365	1.1
151.00288	3.9
151.04013	2.3
152.01070	39.6
153.01866	13.6
154.02258	1.2
160.01587	1.5
161.02403	1.7
161.04512	1.9
161.05829	1.1
163.04008	1.9
163.07564	2.1
163.11220	2.9
164.01073	1.1
165.01845	4.3
165.12798	2.3
169.01379	1.0
169.08650	3.9
170.81834	1.0
171.10257	4.7
175.03946	2.4
178.99826	6.2
179.03391	1.0
179.05634	1.1
181.08636	15.7
181.12263	1.2
183.10153	1.1
185.11786	2.4
190.02583	1.0
191.10854	0.9
193.05110	1.1
199.09703	15.7
199.13419	3.5
202.02638	1.5
205.05042	1.3
209.11778	100.0
210.12099	7.0
211.13434	2.4
225.11406	1.3
227.12863	16.6
235.08295	1.2
247.13367	1.4
253.09267	7.6
267.07150	1.1
271.02554	1.5
287.05814	1.2
289.07202	4.7
299.02118	1.1
300.02853	1.7
301.03613	1.4
327.05389	1.0
327.14554	1.4
345.15704	2.2
375.27530	17.0
376.28104	1.7
491.18103	2.9
493.18964	4.0
592.33789	1.0
615.14935	1.1
637.32385	1.8
655.29755	5.7
673.34399	64.1
674.34705	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	673.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35392	0.8
55.01740	3.2
57.03307	2.3
57.87893	1.0
58.00454	2.7
59.01250	47.0
61.98713	1.1
69.03328	2.4
71.01256	37.6
72.99162	2.9
73.02827	6.1
83.01262	3.2
83.04890	1.6
85.02816	12.9
87.00764	2.2
88.13040	0.8
89.02322	18.7
95.01232	2.1
96.95880	2.1
99.00738	2.4
99.04373	1.3
101.02319	17.7
103.03877	1.0
108.02053	4.1
109.02810	2.7
111.04403	1.9
113.02331	10.5
119.03400	6.2
119.08556	19.8
121.10097	3.6
125.02316	2.1
140.20415	0.8
141.87680	0.8
143.03325	1.3
151.00247	1.0
152.01015	2.4
153.01791	1.5
161.04422	1.8
163.07596	4.9
163.11162	1.0
165.09097	3.8
167.10626	1.2
171.10095	1.5
178.99786	0.9
179.05489	1.3
181.08585	3.0
183.10242	4.2
197.95232	0.8
199.09702	2.4
209.11775	14.0
210.12029	0.9
227.12798	3.2
229.81161	1.0
253.09386	0.9
274.76056	1.1
327.14560	7.6
328.14987	1.0
345.15509	10.4
477.93195	1.1
495.26624	1.0
503.21658	1.1
643.29468	3.2
644.29120	1.1
655.29694	38.8
656.30157	5.3
673.30743	100.0
674.31134	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2158
Annotation	Glycobismine-E
Peak:m/z	Relative Intensity
59.01237	3.8
61.98714	16.3
71.01256	6.2
75.00758	3.0
78.95775	10.1
88.65854	1.9
89.02324	2.5
89.71460	2.4
118.19031	2.1
129.54817	1.9
152.99487	4.4
163.44258	2.4
171.10138	3.4
192.78654	2.0
199.13397	3.5
207.10187	3.6
209.11797	18.6
211.13358	13.0
225.11298	3.5
227.12791	8.4
253.09282	3.1
272.79910	1.9
293.21463	2.6
311.97742	2.5
364.46304	2.3
380.06857	2.3
473.18109	3.3
483.20459	3.6
507.16559	2.5
510.15472	10.9
511.15619	5.0
521.20667	2.4
523.15936	3.7
525.18140	2.7
526.15002	16.7
527.15265	3.3
550.14484	2.7
569.16895	9.7
570.17499	4.8
634.32196	2.3
641.18842	9.9
673.21497	100.0
673.32947	4.7
674.21906	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	673.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98939	1.4
52.89622	1.4
55.01764	2.8
57.03313	6.1
58.00456	4.1
59.01254	100.0
61.77037	1.3
69.03332	1.6
69.87516	5.7
69.87924	2.2
71.01257	44.2
72.99180	7.5
73.02818	15.8
81.03328	4.7
83.01248	2.9
83.04892	2.5
85.02827	29.4
87.00789	2.1
89.02319	18.2
96.95896	3.2
98.19828	3.2
99.00740	2.5
99.04378	4.2
100.39963	1.5
101.02324	14.8
103.03896	13.7
107.08506	2.0
109.02805	3.0
111.04393	4.6
113.02310	2.1
117.07025	1.7
119.03362	3.9
119.08562	65.5
120.08902	3.1
125.02322	3.7
127.03883	2.6
133.06465	3.6
147.08005	1.6
151.00258	3.5
153.01787	1.9
163.06169	3.0
163.07533	24.0
165.09145	4.4
175.07593	7.3
181.08609	2.3
183.10211	6.5
199.09686	4.6
205.08592	3.6
209.11789	21.3
227.12816	4.2
279.69989	1.8
297.13489	3.2
309.13293	5.0
327.14517	20.3
328.14838	2.2
329.16110	1.7
345.15659	8.4
473.21799	3.6
475.14206	2.8
548.77301	2.1
625.28748	29.8
626.28613	4.4
637.28717	29.5
638.28833	4.0
643.29675	55.5
644.30414	8.2
655.29681	51.6
656.30176	9.8
673.30756	63.8
674.31525	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	671.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19583	1.0
67.10447	0.9
69.50923	7.4
71.69094	1.1
71.71965	0.9
78.95778	5.8
98.19826	1.8
98.45555	0.9
107.01273	2.2
108.02039	2.2
121.02764	1.2
132.85080	0.9
148.01575	1.8
151.00252	7.1
152.99498	4.2
163.00203	1.4
169.01361	1.3
178.99803	4.2
201.41920	1.0
206.52490	1.2
211.13388	1.2
222.27136	0.9
227.03389	2.6
243.02971	11.2
244.03601	1.5
245.04655	2.0
254.02174	2.7
255.02975	27.0
255.23288	7.2
256.03360	1.5
271.02487	56.3
272.02969	4.0
275.24512	1.2
279.23230	2.5
283.02512	1.3
299.01950	1.9
300.02756	100.0
301.03427	23.5
391.22650	2.1
415.23270	1.1
514.66711	1.0
671.30786	45.5
672.31006	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	673.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.1
59.01255	11.6
63.02259	1.1
65.00187	1.7
69.31367	3.4
69.31799	4.1
71.01259	8.9
72.99200	0.9
73.02812	1.4
80.02538	0.8
81.03340	1.3
83.01269	2.4
83.04915	4.3
84.02027	0.9
85.02839	2.7
87.00768	2.7
89.02322	5.6
93.03323	1.2
95.01280	1.1
95.04959	1.0
97.02821	0.9
99.00749	1.8
101.02346	4.6
107.01252	4.7
108.02072	1.7
109.02845	3.2
109.06465	1.7
111.00813	1.0
113.02351	3.0
115.37984	0.8
119.03349	0.9
121.02880	3.3
124.65619	0.8
125.02337	2.4
125.09617	1.8
137.02316	1.0
143.03340	0.8
148.01555	0.9
149.02377	1.0
151.00296	14.2
152.99509	1.4
159.04387	1.5
161.06017	1.1
163.00226	3.5
163.11240	4.1
165.01729	0.9
165.12791	2.4
169.01340	1.5
171.10214	7.3
178.99800	9.6
183.13873	3.3
185.11789	2.8
187.03970	1.0
191.10765	1.3
199.04004	1.2
199.13336	4.7
201.11234	2.2
203.03490	1.2
207.10236	3.2
209.11792	100.0
210.12039	3.6
211.03969	1.6
211.13358	14.3
211.15352	0.8
215.03439	1.0
225.11320	4.5
226.02612	1.1
227.03519	3.0
227.12865	20.7
227.15102	1.1
228.13185	1.1
229.04993	1.0
235.08273	2.5
241.14519	1.0
243.02972	6.7
245.04550	1.5
247.13353	2.2
253.09317	8.6
254.01984	1.1
255.02989	17.3
256.03479	1.4
265.14481	2.1
271.02512	34.7
272.02942	3.2
273.04102	1.4
283.02402	2.3
285.04028	1.1
287.02072	2.1
289.07263	0.9
299.01926	3.4
299.99982	0.6
300.02756	37.0
301.03537	93.2
302.03931	6.3
315.01566	7.3
316.02191	3.0
339.09665	1.1
375.25436	1.1
393.26529	1.3
401.23422	0.9
411.27664	1.2
419.24542	1.2
445.07620	0.8
447.09161	2.2
461.20584	0.8
462.08136	7.5
463.08783	1.9
463.21323	0.9
637.32062	2.4
641.21942	1.2
655.21155	2.3
655.33441	3.0
673.11505	1.5
673.21472	16.4
673.33600	10.0
674.21832	3.2
674.33197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50051	0.6
56.96548	0.6
59.01254	3.3
65.00195	2.0
71.01262	2.6
71.57710	0.7
71.58088	0.7
73.02814	0.7
75.29195	0.6
81.03313	0.9
82.00429	0.7
83.01263	1.9
85.02822	1.2
89.02306	0.9
93.03342	1.3
96.95925	0.7
97.02823	1.2
99.00732	1.1
101.02339	1.1
107.01280	4.0
108.02064	1.4
109.02840	2.6
109.99995	1.5
113.02338	1.8
121.02837	1.2
123.00769	1.0
123.04400	1.2
125.02321	3.6
125.99471	2.4
133.02782	0.7
134.03595	1.0
135.04454	2.0
137.02357	8.4
137.99478	2.8
141.01845	2.0
143.04941	1.3
145.02812	2.1
147.00789	0.7
148.01593	0.8
149.99506	1.0
150.03114	0.7
151.00279	12.8
151.03824	0.9
152.01051	1.7
153.01880	3.3
153.05490	19.9
153.98970	2.0
154.05820	0.8
155.03430	1.4
155.04897	1.1
157.02888	1.1
158.03542	0.6
159.04381	1.5
161.02347	1.7
163.00304	0.6
165.01851	0.6
168.04190	2.9
169.01401	1.2
169.02843	0.7
171.04443	1.9
173.02353	0.7
175.04018	0.9
178.99812	4.7
179.03465	0.7
183.04446	3.0
183.06520	1.4
185.02367	1.7
186.03204	2.1
187.03902	1.9
189.01883	1.3
190.02611	1.2
193.01440	0.6
196.03772	0.7
199.03932	8.6
201.01753	0.7
203.03473	1.6
205.05023	0.8
209.11732	1.8
211.06064	53.0
211.13364	0.8
212.06445	2.1
214.02629	3.5
215.03439	3.3
216.00534	0.7
225.11369	1.0
227.03435	8.1
229.01404	0.9
229.04938	0.7
229.49510	0.6
239.03487	0.8
241.01382	13.0
242.02115	6.9
243.02954	16.4
244.03232	0.8
245.00847	7.7
255.02980	12.6
256.03503	1.0
270.01718	21.7
270.04663	1.3
271.02466	34.7
272.02808	2.7
283.02499	1.1
284.03244	1.2
285.04132	2.1
297.04028	0.8
298.01175	10.2
299.01968	100.0
300.02618	19.7
300.06146	1.4
301.03510	8.5
303.05276	1.0
313.03522	3.3
314.04282	1.6
315.01367	1.3
315.04825	0.7
316.02118	0.8
433.07767	2.2
461.07251	92.8
462.07919	35.6
462.14539	1.5
463.08551	4.4
476.09583	0.7
491.10141	3.1
501.17267	0.7
509.10892	2.7
509.15765	0.6
533.29852	1.2
671.16449	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	669.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94477	2.1
57.03313	2.2
59.01254	12.2
61.98709	2.3
63.67232	1.6
69.03339	4.1
71.01249	8.4
71.58273	3.5
73.02808	2.1
80.04102	1.6
83.01241	2.4
83.04859	2.0
85.02820	3.4
89.02314	4.6
101.02327	5.2
113.02346	3.5
119.03407	1.7
161.04491	3.3
165.12808	16.2
165.30876	1.9
167.10703	3.8
170.74841	1.7
179.14398	4.4
183.13849	100.0
184.14218	4.8
195.13844	13.0
205.12363	11.7
209.11736	8.0
211.13332	4.4
223.13377	89.2
224.13701	5.5
225.17880	1.8
227.12854	11.8
235.08179	3.0
253.09241	8.9
337.03397	2.0
377.70609	1.9
445.20615	3.1
458.01575	2.1
459.22513	7.8
463.21710	7.3
478.16672	2.0
635.41101	2.0
646.03796	2.0
669.34955	85.8
670.35376	16.0
677.71570	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	669.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.0
57.03326	1.9
58.00468	1.0
59.01252	21.3
60.01610	0.6
61.98686	1.3
63.02278	3.1
65.00188	5.7
68.99670	0.6
69.03321	1.4
70.87633	1.3
71.01256	24.2
72.01574	0.6
72.99176	3.8
73.02822	6.1
75.00749	3.9
78.95779	1.3
81.44591	0.5
83.01260	7.6
85.02819	15.0
86.03127	1.0
87.00748	4.5
87.15417	0.5
89.02314	7.6
91.01772	3.8
92.02116	1.1
93.03338	1.9
95.01260	4.1
96.95844	0.7
97.02811	0.8
99.00757	4.0
101.02325	14.4
106.73491	0.6
107.01277	12.2
108.02074	4.9
109.02879	1.5
110.73024	0.5
111.00786	2.7
113.02335	12.3
114.02695	0.8
115.00252	0.9
116.92735	0.7
117.01749	1.0
119.03398	1.8
119.04939	1.4
121.02847	19.0
123.00778	1.6
125.02325	2.2
129.01845	1.2
131.03354	0.8
134.03662	1.5
135.00775	2.3
135.04469	0.7
137.02361	1.7
139.00290	0.6
141.01871	0.7
143.03456	0.5
145.02899	0.7
148.01585	1.0
149.02365	3.1
149.05894	0.5
150.03061	0.8
150.13031	0.6
151.00281	42.3
151.03893	1.1
152.01088	3.2
153.01697	1.0
159.02907	0.9
161.02271	1.0
161.04439	1.4
163.00342	0.7
163.03896	1.5
165.01888	0.7
165.05467	0.7
169.01337	4.4
170.01587	0.6
171.10176	0.6
175.00281	1.9
175.02415	1.2
175.03877	1.3
178.99785	18.8
180.00056	0.8
190.02644	3.5
191.03362	0.7
192.00665	0.5
193.01411	1.2
193.03409	0.8
193.04999	1.0
205.05122	2.7
211.13339	1.1
223.06134	0.8
227.03532	0.8
229.04993	0.7
231.02843	0.6
243.02895	0.9
243.06598	13.9
244.06937	7.9
245.04625	1.0
245.07161	5.0
246.07474	0.8
247.47888	0.6
255.03009	0.9
255.23303	0.9
271.02472	2.1
272.03015	0.7
273.03998	1.9
299.01944	1.1
299.25790	0.8
300.02567	2.9
301.03531	100.0
302.03888	10.4
306.07635	0.6
315.04996	4.6
316.02090	0.9
316.05569	0.9
331.04593	1.5
345.30087	2.2
353.08472	0.8
371.09833	0.9
433.28552	0.5
449.13617	1.4
505.11551	0.9
507.35403	8.8
508.36383	0.9
551.21460	1.6
625.16797	3.7
669.14532	4.3
669.23987	12.5
669.40680	67.6
670.15057	1.2
670.23987	3.1
670.41052	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	669.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85130	0.7
57.03336	1.5
57.21170	0.8
59.01252	10.8
61.88612	0.7
61.98687	0.8
68.92957	0.8
69.03335	3.0
69.48251	6.8
71.01263	8.2
71.04896	2.0
72.99181	2.0
73.02819	1.5
80.02544	1.2
81.03322	1.6
83.01268	2.0
83.04918	4.8
84.02060	1.3
85.02837	2.1
87.00750	3.0
89.02328	2.8
90.30361	0.8
95.04900	1.6
99.00764	2.9
101.02325	5.4
108.02077	0.9
109.06475	1.3
109.33339	0.9
111.00773	1.1
112.98685	1.7
113.02341	2.7
115.00238	1.9
119.03336	1.0
124.98734	0.9
125.02302	1.4
125.09632	0.9
131.47101	0.8
135.02890	1.0
142.99763	8.4
145.04964	1.3
152.99506	0.8
156.00511	1.0
158.91737	0.8
160.49092	0.8
161.04488	1.8
161.13341	1.1
163.11247	3.8
165.12776	7.0
167.10699	4.5
171.10229	3.7
173.00790	1.6
174.01630	15.6
175.02396	3.1
179.10652	1.1
179.14325	3.0
181.12350	1.0
183.13844	31.3
184.14156	1.4
191.10620	1.4
195.13852	10.5
197.11716	1.0
205.12279	9.5
209.11777	96.9
210.12109	4.7
211.11452	1.7
211.13353	20.7
223.13356	100.0
224.13647	4.9
225.11201	1.0
227.12857	18.8
235.08253	3.7
239.12914	1.2
253.09296	11.3
255.23317	1.4
261.14957	3.8
263.12976	1.2
301.16629	2.7
361.11136	3.3
411.40720	0.8
459.22382	7.2
495.29666	19.0
496.29987	2.9
507.30020	1.6
551.28857	5.9
551.36420	1.2
591.28241	2.0
633.32489	1.1
651.30292	10.7
652.30475	1.5
669.31342	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	669.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.7
59.01257	29.4
69.56998	7.5
69.57422	4.1
71.01256	25.4
72.99172	2.1
73.02815	5.0
75.00748	3.0
83.01276	3.9
85.02851	7.8
87.00756	6.7
88.98688	3.5
89.02322	19.2
90.48867	1.4
95.01274	2.0
96.95890	1.8
97.02810	2.9
98.20545	1.5
99.00751	3.2
101.02328	16.9
106.49021	1.4
113.02293	10.3
119.03412	7.3
119.04928	2.8
121.02825	2.3
125.02357	6.1
134.03638	2.9
135.04396	16.8
137.02364	1.6
143.03438	3.4
149.02354	4.6
149.04596	1.5
150.03152	3.4
151.00267	5.2
151.03824	1.9
161.04424	4.0
163.03952	1.8
164.04686	6.6
165.01793	1.6
165.05511	3.3
169.01425	1.5
175.00278	3.7
175.03951	2.2
178.99792	3.0
179.05505	3.9
183.02946	4.4
183.13820	9.1
190.02672	8.9
191.03450	2.2
191.05717	1.3
193.05002	2.4
193.12262	1.9
195.06544	2.3
205.04999	8.9
211.13333	100.0
212.13681	5.3
223.06030	2.9
235.08182	6.1
263.07730	1.8
287.07974	2.1
297.04114	3.3
299.02045	2.1
300.02737	3.0
301.03552	6.8
301.07211	8.6
305.08722	2.4
315.05038	2.0
315.14575	1.9
323.09579	1.8
397.13528	64.6
398.13916	4.7
415.14569	25.5
416.14813	2.7
446.08365	1.7
463.17789	2.4
479.09949	4.5
551.21100	8.8
609.27191	7.3
665.38098	1.6
669.25720	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	669.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78327	1.0
55.01757	1.7
59.01255	7.9
69.50256	7.4
71.01255	16.3
73.02819	5.0
75.00752	1.7
83.01261	1.9
85.02833	4.8
87.00738	1.2
89.02310	5.4
93.03337	2.6
95.01266	1.1
96.95869	1.4
98.19798	1.8
99.00763	14.5
101.02328	9.7
109.02846	1.6
113.02344	8.3
121.02863	4.1
122.03647	6.9
128.03462	0.9
131.03397	2.4
132.02055	2.0
133.02872	1.5
134.03693	1.9
135.04396	2.3
136.01599	5.2
137.02353	1.6
143.03386	1.8
145.02849	1.5
146.03645	34.6
147.04457	4.3
149.02342	17.3
150.03133	60.6
151.03961	10.7
161.04453	4.1
161.05980	9.5
162.03149	3.1
163.03917	2.0
164.04713	27.6
165.05489	100.0
166.05823	3.7
174.49367	0.9
177.05496	3.1
179.03439	1.2
179.05482	1.7
179.07056	30.4
180.04176	4.1
180.05725	1.0
180.07391	2.0
181.04858	1.2
188.91641	0.9
191.05551	5.5
193.04947	1.1
195.06561	21.9
196.07019	1.4
233.06709	0.9
249.06146	1.6
267.06628	1.1
282.08887	1.0
293.08762	2.7
312.09940	5.0
327.12421	17.5
330.39362	1.1
375.14395	5.1
376.14716	1.3
445.13449	1.8
489.16162	97.1
490.16629	10.6
639.23059	1.5
669.25031	6.8
670.24707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49681	1.3
53.21678	1.4
54.41950	1.3
58.00464	2.3
59.01255	55.9
60.01577	1.5
62.17944	1.4
69.42646	2.7
69.43056	9.9
71.01255	49.7
72.99187	1.8
73.02823	6.4
83.01271	4.0
85.02822	16.3
87.00755	7.2
89.02319	49.6
95.01266	3.9
98.19743	2.3
99.00750	4.4
101.01697	2.2
101.02322	27.7
108.49200	1.2
113.02327	21.8
119.03393	17.9
119.08555	5.7
121.10133	4.7
122.98363	1.4
124.11340	1.4
131.03375	1.7
143.03413	4.8
146.03622	2.1
146.88472	1.4
149.04437	1.8
150.03134	3.7
161.04478	11.2
163.07539	7.4
165.05464	5.0
165.09108	6.1
179.05550	21.6
179.06996	1.6
185.03262	1.3
195.06573	1.7
216.20775	1.5
298.01212	1.8
313.03519	1.6
315.14560	9.9
323.09738	4.4
327.14539	11.9
341.10883	100.0
342.11258	5.7
345.06372	6.3
345.15564	66.7
346.15771	4.2
387.16589	5.8
388.16058	1.7
440.93677	1.4
447.18884	1.8
487.18146	2.0
489.16180	1.7
489.19727	2.0
499.28070	1.8
507.11276	1.5
507.20535	1.6
512.13812	1.5
626.28046	1.4
639.24341	1.9
669.26306	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	669.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.4
58.00448	1.8
59.00982	2.9
59.01249	25.8
63.73008	1.7
67.01752	2.8
68.99674	5.7
69.03317	4.0
69.49949	1.7
71.01252	31.5
71.35143	3.3
72.99193	9.1
73.02800	4.2
73.85106	1.7
75.00745	31.0
85.02822	31.4
87.00777	12.4
89.02325	11.3
93.03339	2.4
95.01257	6.9
96.95870	2.5
99.00766	16.0
101.02316	3.2
103.00261	2.0
111.00739	3.3
111.29273	1.6
113.02328	32.1
115.00275	3.4
115.56849	1.6
117.01817	4.2
117.03291	2.4
119.04880	1.7
121.02859	2.3
129.01825	4.6
133.02855	4.3
134.02663	3.4
134.03642	58.0
135.04417	8.5
136.01559	1.8
137.02368	15.8
138.03137	3.0
139.03929	2.2
140.63210	1.7
144.49603	1.9
147.04367	3.5
149.02377	3.0
149.06042	9.5
151.03787	2.0
157.01253	3.5
160.01585	9.8
161.02354	4.9
161.28572	1.6
162.02994	1.6
165.01868	60.7
165.05627	2.2
166.02620	13.0
175.02388	6.8
175.03922	14.7
178.02603	8.7
179.03406	13.5
180.04231	34.3
181.04982	24.8
191.05580	2.4
193.04994	42.7
194.05687	4.2
195.06569	31.9
207.06819	1.8
209.05875	1.9
210.05302	5.9
211.06097	23.6
225.07620	14.7
231.05113	3.2
249.03513	2.4
249.06125	50.4
250.06477	2.6
267.06836	10.7
268.07510	3.2
269.07828	2.3
297.07574	4.8
312.10178	3.7
343.22162	1.8
357.09668	2.4
357.13843	1.8
371.11423	5.7
381.11942	5.8
425.10812	5.2
439.12582	4.3
442.11163	14.1
443.12009	17.1
457.13522	6.0
477.54291	1.8
621.18829	2.4
637.18439	3.4
651.19690	5.2
669.20294	100.0
670.20624	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	669.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	3.0
57.03323	2.3
59.01249	32.3
62.72522	1.8
67.01728	2.2
68.99667	6.1
69.03317	2.6
71.00900	2.6
71.01260	37.3
72.99189	11.8
73.02811	2.7
75.00751	27.4
82.75167	2.4
83.01275	2.3
84.51059	2.0
85.02827	36.2
85.99969	1.9
87.00733	10.0
89.02298	7.9
93.03304	2.3
95.01243	7.5
96.95851	3.2
98.20564	4.5
99.00769	22.3
101.02305	4.2
103.00242	4.3
108.02024	2.1
109.02821	2.6
111.00743	4.3
113.02332	28.5
115.00268	4.7
117.01778	2.3
119.04897	2.6
125.02332	3.3
129.01814	4.2
133.02818	4.3
134.02667	3.8
134.03636	57.8
135.04370	8.8
137.02361	11.2
138.03111	2.7
143.27483	1.9
149.06035	12.4
157.01262	3.9
160.01563	11.0
161.02316	3.5
162.03139	3.1
163.03848	2.5
165.01857	66.2
166.02652	12.2
168.00539	3.9
175.02475	4.4
175.03870	14.4
178.02556	7.2
179.03436	16.1
180.04224	33.6
181.05002	22.5
193.04994	41.0
194.05528	3.6
195.06555	32.2
196.06906	2.1
209.06090	3.1
210.05191	7.8
211.06091	17.8
225.07564	7.0
231.04988	5.0
249.06119	46.5
265.05002	2.2
267.06796	9.5
267.11276	2.0
297.07706	4.4
301.23883	2.2
312.09854	3.4
345.15588	2.6
357.09564	2.9
371.11133	6.4
381.11935	4.8
425.10785	5.4
439.12204	4.8
442.11252	13.3
443.12018	18.2
457.13434	8.9
486.28296	2.8
490.63742	2.1
616.30524	2.1
651.19208	4.3
669.20050	100.0
670.20538	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17350	0.9
59.01255	100.0
60.01565	0.9
70.86433	1.0
70.86796	2.2
78.95766	1.9
94.86499	0.9
113.46308	0.8
118.42306	0.7
125.58849	0.8
152.99454	1.0
171.10121	1.1
186.87469	0.7
189.01820	0.8
189.09062	0.8
208.40158	0.8
209.11731	1.0
211.13295	1.3
223.13332	2.2
277.21729	1.4
290.35355	0.9
327.21869	1.0
346.57712	1.0
368.79291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.8
57.03313	2.6
58.00463	1.4
59.01253	46.1
61.98700	1.7
69.03310	0.7
71.01256	43.2
71.58042	0.6
71.58477	0.9
72.99191	3.7
73.02819	8.7
75.00751	2.3
78.95778	1.6
81.03324	0.7
83.01264	7.2
85.02824	18.2
87.00777	4.3
87.04440	0.6
88.98699	1.2
89.02317	19.7
93.03342	0.6
95.01266	2.8
96.95901	2.6
97.02814	1.8
99.00760	4.2
101.02326	30.8
103.00298	0.7
106.80625	0.7
111.00758	2.3
111.04388	0.7
113.02338	14.1
114.02643	0.6
119.03394	9.1
119.04938	0.7
125.02365	1.2
129.01814	2.1
131.03384	1.3
134.03682	0.7
135.04320	0.8
139.78366	0.6
141.01758	0.8
143.03433	1.5
145.02798	1.1
149.02361	1.0
149.04431	1.2
150.03090	0.9
151.03905	0.8
152.99480	2.0
157.12241	1.1
159.02916	1.3
160.01599	0.8
161.04478	4.1
175.03880	1.0
179.05492	2.6
209.11807	1.2
211.13268	0.7
227.03432	2.0
244.40271	0.6
255.02902	1.7
271.02393	2.0
284.03278	1.4
299.05624	3.3
300.02631	1.1
300.05869	0.8
315.05072	2.0
337.11816	0.7
343.28442	1.3
353.08728	1.1
397.13742	0.8
431.21588	0.8
487.32968	4.2
505.33878	22.6
506.34384	3.2
525.47174	0.8
533.29370	1.9
534.30292	0.8
667.39154	100.0
668.39661	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	669.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
59.01257	5.9
63.02255	2.8
65.00196	5.9
68.99662	1.0
69.47762	3.9
69.48180	1.4
71.01247	4.2
72.99168	1.4
73.02834	1.2
82.61189	0.6
83.01259	3.9
85.02814	3.0
87.00729	1.9
87.51421	0.6
89.02297	1.7
93.03314	1.9
95.01231	0.9
96.95824	0.9
96.99188	1.0
99.00758	1.5
101.02290	1.8
107.00546	0.6
107.01269	12.2
108.02058	1.2
109.02811	2.2
112.01585	0.6
113.02347	2.9
115.00238	1.2
119.04895	1.0
121.02842	9.5
125.02330	1.0
134.03606	1.6
137.02338	1.0
139.03897	0.8
143.03311	0.6
148.01530	1.4
149.02356	3.6
149.05962	0.7
149.99477	0.6
150.03038	1.3
151.00281	41.8
152.00742	1.9
160.01599	1.3
163.00256	2.0
163.03908	1.6
164.04733	0.9
165.01836	0.9
165.05438	0.9
169.01326	4.5
171.04123	0.6
175.00246	2.1
175.02434	1.2
175.03951	1.8
176.00995	1.6
177.01872	0.7
178.98187	1.0
178.99786	17.9
179.03288	0.8
179.06982	0.6
180.00005	0.8
183.04341	0.8
187.03842	1.0
190.02599	2.6
191.03384	2.0
193.01384	0.8
193.04984	2.3
194.05305	1.2
199.03934	1.8
205.04938	1.9
211.03911	1.0
211.13329	2.4
215.03345	0.9
223.06007	1.6
226.02618	0.8
227.03461	2.8
243.02994	7.8
245.04655	1.3
254.02287	1.4
255.02959	15.5
255.46567	0.6
256.03458	1.1
257.04486	0.8
271.02472	33.0
272.02896	3.7
273.03894	2.7
283.02637	0.6
290.93976	0.6
297.04190	1.1
299.02026	4.0
300.02744	55.7
301.03525	100.0
302.03812	6.4
312.15710	0.6
314.04568	0.7
315.05109	7.1
329.16159	0.7
353.08820	2.4
377.31042	0.7
397.13397	1.2
445.07993	1.9
463.08820	37.3
464.09042	4.1
477.10086	2.9
493.30347	3.0
538.02356	0.8
547.11145	0.9
651.26855	1.6
669.14795	33.7
669.26282	2.1
669.34491	6.3
670.15015	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	667.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.5
59.01255	12.6
66.75510	0.8
68.99672	1.6
69.03331	12.7
71.01257	17.8
72.99181	4.8
73.02828	3.0
75.00748	18.8
81.03339	1.2
83.01266	2.2
85.02824	15.1
87.00758	6.7
89.02318	4.7
93.03345	1.5
95.01260	2.6
96.95880	2.4
97.02837	6.9
98.19852	2.6
99.00763	13.8
101.02315	3.9
107.01279	4.5
108.02056	34.5
109.02861	8.1
111.00773	2.5
111.04428	1.9
113.02339	16.4
115.00245	1.9
117.01801	1.3
117.03335	8.0
119.03338	1.1
119.04953	5.3
121.02844	3.8
121.22177	1.0
122.88760	0.9
123.00803	2.2
125.02348	10.8
133.02867	2.3
134.03642	58.1
135.00807	14.9
137.02362	11.3
139.03893	2.9
143.03297	1.1
145.02861	29.2
149.02361	1.2
149.06000	16.6
150.03123	3.0
151.00308	4.5
151.03972	1.1
152.01070	58.4
152.14679	0.9
153.01871	5.0
157.01350	2.7
160.01512	1.0
160.05246	2.3
161.04515	1.0
161.05920	1.5
163.00229	1.5
163.03966	6.4
165.01869	1.1
175.02383	3.2
175.03839	1.3
175.07562	2.3
177.05479	1.4
178.02643	34.2
181.08638	13.0
193.05002	100.0
194.05310	2.9
197.06030	1.8
242.05859	3.7
243.06622	17.4
271.02417	1.7
293.43759	1.0
307.08286	13.2
308.08426	1.3
329.13483	1.8
329.16165	3.2
345.13303	1.6
357.08224	9.8
384.80582	0.9
457.80157	1.0
471.11462	8.7
515.10516	10.8
516.10736	1.3
585.97858	1.1
605.15485	2.8
623.16113	46.7
624.16498	7.1
637.22333	1.8
666.29999	1.7
667.24255	15.3
668.26166	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	667.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10019	0.3
57.03317	0.9
59.01251	7.1
65.00196	0.9
65.03844	0.4
66.55173	0.3
67.01762	0.4
69.03326	0.7
71.00890	0.5
71.01256	6.6
71.20840	0.7
72.99174	2.1
73.02812	0.9
75.00755	4.9
78.95774	0.3
80.02550	0.5
81.03312	0.7
82.95266	0.3
83.01261	0.7
85.02824	6.9
86.42854	0.3
87.00752	2.4
89.02316	1.9
91.01773	14.2
92.02091	0.4
93.03362	0.3
95.01275	2.6
97.02833	0.4
99.00764	2.3
101.02321	1.5
103.00269	1.0
103.52230	0.3
107.01340	0.3
107.04957	0.7
108.02057	18.0
109.02863	5.1
113.02330	10.0
114.02705	0.4
115.00290	0.5
117.01820	0.7
119.03371	0.3
121.02849	0.9
123.00778	6.3
129.01825	0.4
131.03392	0.4
134.03615	0.4
135.00786	12.9
136.01120	0.4
137.02347	3.4
149.02333	0.5
151.00407	0.4
152.01067	16.4
152.99513	0.4
153.01764	1.3
157.01317	0.5
163.03893	0.4
175.02426	3.1
175.03810	0.5
191.03349	0.5
193.03476	1.8
193.04918	0.5
193.52672	0.3
197.05998	1.5
199.07565	0.6
209.11830	0.5
213.05515	1.4
215.07130	1.2
220.56204	0.3
243.06609	100.0
244.06958	5.8
246.14453	0.3
299.02072	0.3
357.08197	0.9
379.08871	1.7
447.12958	7.6
448.13519	0.9
471.11127	0.6
515.10364	1.1
547.54517	0.3
623.16174	13.0
624.16614	2.0
667.39709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1512
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
58.39792	0.5
59.01245	3.4
63.02269	2.0
65.00204	4.1
71.01250	2.3
71.57185	0.5
71.94044	0.4
72.99167	1.0
73.02810	0.6
83.01255	3.1
83.01700	0.4
85.02822	1.2
87.00745	1.1
89.02364	0.7
93.03326	0.7
96.95883	1.3
99.00734	0.5
101.02328	0.9
107.01279	9.1
108.02060	1.1
109.02847	2.5
113.02323	1.5
113.10858	0.4
118.37041	0.4
119.01239	0.5
119.04906	1.3
121.02851	7.6
122.85760	0.5
123.00796	0.7
124.01524	0.6
134.14798	0.5
135.00769	0.6
135.04413	0.5
137.02376	0.6
145.02837	0.9
148.01595	1.4
149.02388	1.1
151.00284	36.3
152.00786	1.4
153.01860	1.0
155.04886	0.6
159.04439	1.0
160.29007	0.5
161.02417	0.5
163.00272	2.4
163.03909	1.0
164.01096	0.9
165.01872	0.5
169.01367	3.1
171.04431	0.8
175.03894	0.5
178.99794	16.5
180.00046	0.6
183.04401	1.6
185.02145	0.6
187.03949	1.5
191.03444	0.5
192.00526	0.5
193.01357	0.9
199.03963	4.2
200.04532	0.4
201.05472	0.8
203.03424	0.9
211.03938	1.4
215.03445	1.5
226.02461	0.6
227.03444	4.5
228.04074	0.6
229.05037	1.0
239.03304	0.7
243.02954	12.5
243.05334	0.7
243.37750	0.4
244.03381	0.7
245.04546	1.9
254.02238	1.7
255.02972	21.9
256.03351	1.9
267.07071	0.8
270.01727	0.5
271.02475	46.2
272.02997	4.0
273.03854	2.1
283.02582	1.5
299.01978	22.1
300.02744	80.3
301.03510	87.2
302.03885	5.8
315.14044	0.6
339.03802	0.5
340.04385	0.6
343.04532	0.7
373.12943	0.6
462.07962	3.4
463.08810	42.3
464.08997	4.8
487.18185	0.6
505.09869	100.0
506.10190	10.5
649.16705	0.5
667.15015	13.0
667.25128	1.8
668.15479	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	667.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42813	0.5
59.01242	0.7
59.33733	0.5
63.02267	2.3
65.00192	3.4
65.71589	0.4
69.35593	2.7
69.36030	2.4
72.99187	0.7
83.01246	3.4
93.03326	0.7
95.95928	0.5
96.95914	0.7
98.19763	0.9
99.00774	0.7
107.01283	9.3
108.02043	1.2
109.02828	1.3
121.02855	7.4
124.01546	0.7
125.02338	0.5
127.45620	0.6
139.03894	0.9
145.02921	0.6
148.01569	1.6
149.02277	0.8
151.00279	37.6
152.00609	0.9
153.01846	0.5
153.81000	0.5
154.82620	0.5
157.02824	0.7
159.04393	0.7
163.00266	2.3
163.03854	0.6
164.00977	0.9
165.01958	0.8
169.01306	2.3
178.98203	0.9
178.99791	15.4
180.00098	0.5
183.04379	1.2
187.03870	1.0
192.00505	0.6
193.01291	1.0
199.03949	3.8
201.05388	0.9
203.03343	1.1
211.03961	1.6
215.03406	1.6
216.04153	0.8
226.02728	1.3
227.03447	4.7
229.05043	1.5
239.03481	0.6
243.02948	12.4
244.03430	0.9
245.04568	1.5
254.02095	2.3
255.02988	21.5
256.03284	1.5
257.04645	0.8
271.02484	49.1
272.03015	4.5
273.04001	2.2
283.02484	1.0
299.01990	21.2
300.02747	77.2
301.03510	87.7
302.03873	5.2
343.04669	0.6
358.63336	0.5
399.45776	0.5
462.08038	3.2
463.08826	44.9
464.09247	4.9
505.09903	100.0
506.10211	12.5
667.15076	13.6
667.25323	0.9
668.15485	2.0
675.94165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	16.4
65.00202	5.4
71.01265	14.8
80.99490	3.4
83.01271	7.4
85.02831	7.6
87.00772	10.2
89.02335	4.8
95.01269	8.2
96.95909	9.4
98.19827	8.7
101.02354	7.0
107.01287	11.8
108.01999	4.0
109.02858	26.2
113.02298	5.0
118.02928	4.6
118.66319	4.2
121.02872	12.3
123.00783	9.0
123.04443	5.5
124.01567	5.8
125.02351	9.2
131.03380	5.4
133.02867	6.6
134.02361	11.3
137.02344	22.9
139.00249	4.5
143.03383	5.3
146.02364	6.0
147.00827	5.9
148.01572	38.2
149.02339	20.9
151.00273	34.9
152.01068	7.7
153.01907	7.3
161.02359	12.6
162.01892	27.3
163.00296	18.9
163.02571	5.0
163.03915	8.9
164.01105	6.3
164.03438	17.5
165.01846	9.9
166.99812	5.6
169.01357	4.4
175.00288	11.9
175.02551	5.0
175.03963	5.6
176.01071	7.5
177.01874	79.1
178.99828	23.8
186.01894	23.0
187.03955	5.1
190.01373	18.1
191.02014	21.9
191.03540	12.3
193.01460	5.9
195.06519	8.8
199.03981	5.3
201.01930	5.5
202.01373	14.2
202.99821	20.0
203.01773	6.3
203.03627	6.7
204.02956	80.7
205.01398	6.1
205.07188	5.0
206.99261	6.0
207.02972	4.2
208.00018	6.0
214.01172	4.4
215.03461	6.4
227.03493	15.0
229.39360	5.0
230.00815	26.6
231.01285	5.3
233.04614	6.2
243.02954	14.9
245.04431	6.5
255.02959	16.2
256.03845	5.8
259.02576	4.7
267.02884	8.3
269.04410	6.4
270.01712	5.7
270.04520	5.3
271.02469	53.3
272.03091	14.3
273.04047	8.5
283.02499	7.3
284.03134	7.7
285.04041	19.1
287.01907	9.1
291.02032	4.6
294.04236	26.2
295.02435	9.9
299.01932	61.3
300.02734	17.4
301.03381	12.1
310.03598	7.2
311.04465	6.3
313.03503	32.2
316.02115	25.7
317.02963	20.1
322.03580	65.3
323.04230	7.5
324.05112	7.0
339.03784	43.5
340.01041	12.7
340.04593	100.0
342.02576	5.0
356.04300	6.9
357.04813	17.1
358.05661	12.8
475.14951	8.2
489.12476	6.5
501.12540	20.5
530.15143	79.4
531.15576	7.7
556.13177	60.9
557.13428	7.2
581.15289	9.9
608.14105	6.1
625.13904	12.8
626.14264	4.5
648.15753	99.4
649.15924	14.1
666.16534	91.7
667.15991	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	666.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	16.4
65.00202	5.4
71.01265	14.8
80.99490	3.4
83.01271	7.4
85.02831	7.6
87.00772	10.2
89.02335	4.8
95.01269	8.2
96.95909	9.4
98.19827	8.7
101.02354	7.0
107.01287	11.8
108.01999	4.0
109.02858	26.2
113.02298	5.0
118.02928	4.6
118.66319	4.2
121.02872	12.3
123.00783	9.0
123.04443	5.5
124.01567	5.8
125.02351	9.2
131.03380	5.4
133.02867	6.6
134.02361	11.3
137.02344	22.9
139.00249	4.5
143.03383	5.3
146.02364	6.0
147.00827	5.9
148.01572	38.2
149.02339	20.9
151.00273	34.9
152.01068	7.7
153.01907	7.3
161.02359	12.6
162.01892	27.3
163.00296	18.9
163.02571	5.0
163.03915	8.9
164.01105	6.3
164.03438	17.5
165.01846	9.9
166.99812	5.6
169.01357	4.4
175.00288	11.9
175.02551	5.0
175.03963	5.6
176.01071	7.5
177.01874	79.1
178.99828	23.8
186.01894	23.0
187.03955	5.1
190.01373	18.1
191.02014	21.9
191.03540	12.3
193.01460	5.9
195.06519	8.8
199.03981	5.3
201.01930	5.5
202.01373	14.2
202.99821	20.0
203.01773	6.3
203.03627	6.7
204.02956	80.7
205.01398	6.1
205.07188	5.0
206.99261	6.0
207.02972	4.2
208.00018	6.0
214.01172	4.4
215.03461	6.4
227.03493	15.0
229.39360	5.0
230.00815	26.6
231.01285	5.3
233.04614	6.2
243.02954	14.9
245.04431	6.5
255.02959	16.2
256.03845	5.8
259.02576	4.7
267.02884	8.3
269.04410	6.4
270.01712	5.7
270.04520	5.3
271.02469	53.3
272.03091	14.3
273.04047	8.5
283.02499	7.3
284.03134	7.7
285.04041	19.1
287.01907	9.1
291.02032	4.6
294.04236	26.2
295.02435	9.9
299.01932	61.3
300.02734	17.4
301.03381	12.1
310.03598	7.2
311.04465	6.3
313.03503	32.2
316.02115	25.7
317.02963	20.1
322.03580	65.3
323.04230	7.5
324.05112	7.0
339.03784	43.5
340.01041	12.7
340.04593	100.0
342.02576	5.0
356.04300	6.9
357.04813	17.1
358.05661	12.8
475.14951	8.2
489.12476	6.5
501.12540	20.5
530.15143	79.4
531.15576	7.7
556.13177	60.9
557.13428	7.2
581.15289	9.9
608.14105	6.1
625.13904	12.8
626.14264	4.5
648.15753	99.4
649.15924	14.1
666.16534	91.7
667.15991	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	665.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.7
57.03328	4.3
59.01254	10.6
68.99699	1.0
69.03308	0.6
71.01255	21.9
72.99176	4.6
73.02822	3.8
73.15185	0.5
75.00748	20.9
78.95777	0.8
80.96363	0.6
83.01266	2.9
84.02041	0.7
85.02828	24.0
86.03150	0.5
87.00754	6.4
89.02305	1.9
95.01244	2.9
95.99997	0.5
97.02835	1.1
99.00761	8.0
101.02325	5.3
103.00258	0.8
111.00773	1.1
112.01534	1.0
113.02333	18.4
115.00247	1.8
116.01055	0.6
117.01793	0.7
125.02312	1.4
129.01917	0.7
157.01286	0.7
159.26015	0.6
175.02385	1.9
201.03822	0.5
211.13356	0.8
289.07321	1.3
353.46954	0.6
394.82861	0.6
478.56631	0.7
489.34357	1.7
643.47845	0.6
647.36951	1.4
665.37567	100.0
666.37848	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	665.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56526	1.7
54.55643	1.7
57.03327	7.7
58.00460	1.7
59.01257	32.0
61.98708	5.7
71.01260	26.1
71.57638	3.4
72.99191	5.1
73.02828	6.2
73.93996	1.5
75.00771	3.6
76.23951	1.5
78.95798	2.9
79.95628	2.1
81.03350	1.9
82.24670	1.5
83.01289	4.2
83.04910	4.4
85.02818	13.5
87.00778	6.5
89.02321	13.7
95.01291	1.8
95.04932	2.8
96.95893	23.3
97.06469	16.6
97.12492	1.6
99.00772	4.0
101.02334	18.7
109.02847	2.2
111.00777	2.5
111.04414	2.7
113.02345	9.7
113.99581	1.9
119.03404	4.7
119.08565	6.0
123.08064	7.6
125.02365	4.8
125.09620	100.0
126.09979	3.8
134.03726	2.2
143.03387	3.7
145.04999	3.2
161.04485	5.2
163.06287	2.1
163.07501	8.7
163.11179	2.1
165.12802	3.1
169.08678	2.4
171.10257	2.2
175.04024	2.7
179.05585	2.1
181.08650	2.3
187.09706	63.9
188.10144	2.2
201.11299	2.5
205.05133	1.9
209.11784	53.4
210.12251	3.9
211.10025	1.6
227.12927	5.7
253.09338	4.9
275.14932	3.8
275.65085	2.6
348.18539	2.8
405.17712	5.7
423.18597	13.1
429.83423	1.7
489.30713	4.0
533.29547	16.1
534.29987	4.1
551.30664	2.3
615.30682	5.1
633.31311	99.0
634.31470	14.8
665.26526	3.2
665.36652	7.1
666.34320	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	664.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	16.8
61.98708	0.8
64.34603	0.7
68.49745	0.6
69.58880	0.7
71.01255	0.8
78.95779	10.5
128.03410	0.6
137.05792	0.6
150.59579	0.6
152.99490	3.4
155.14397	0.7
165.12761	2.1
168.04236	1.9
170.10066	0.7
174.01709	1.0
181.12308	1.3
199.13354	19.6
200.13617	1.3
224.06883	1.3
229.88707	0.7
242.07930	4.3
279.19699	4.9
347.25989	4.3
363.25540	1.7
365.26962	100.0
366.27328	10.3
519.26831	1.1
563.91522	0.7
590.34680	51.7
591.34943	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	665.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00573	1.6
55.01762	3.1
57.03318	4.3
57.43111	1.5
59.01253	82.5
69.03316	1.8
70.05288	3.5
70.05695	6.3
71.01257	62.1
72.99168	6.0
73.02819	12.4
75.00731	5.5
83.01250	7.4
85.02825	31.1
87.00759	8.1
87.04391	2.2
89.02319	26.5
95.01254	9.7
96.96850	2.4
98.19909	2.3
99.00749	7.7
101.02326	32.7
111.00755	2.1
113.02330	38.7
119.03445	10.0
119.04929	5.3
123.04327	2.1
124.01526	2.0
125.02334	3.3
128.03426	5.7
129.01843	3.3
132.02145	1.8
133.02820	15.4
133.27504	1.9
134.03604	3.1
135.04402	7.3
143.03366	4.9
143.04543	6.2
159.02850	3.9
160.01514	3.1
161.01079	3.0
161.02364	46.1
161.04376	9.6
162.02670	2.5
162.70126	2.0
163.03873	2.4
175.02409	2.0
175.03912	2.4
179.03386	4.4
179.05556	3.3
190.02704	2.1
191.05463	2.3
193.04933	3.5
210.08856	1.9
232.46654	2.0
249.74753	1.9
267.07147	2.6
271.02399	2.4
272.08899	5.2
273.09290	3.6
300.98138	2.5
301.03619	1.9
343.99930	6.4
345.00262	7.3
359.02200	2.9
360.02570	3.2
391.05096	4.4
392.05124	7.5
399.23785	8.5
400.23950	2.9
417.25073	11.1
450.20383	3.1
489.26770	3.7
561.29150	100.0
562.29053	12.2
579.30188	71.0
580.30920	11.0
621.31403	12.1
623.19586	3.2
633.25635	3.3
647.27771	2.9
662.49866	2.2
665.19250	13.2
665.30988	15.8
666.20331	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	663.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	20.4
71.01259	16.7
71.18537	3.7
72.99173	2.7
73.02821	3.2
75.00726	5.0
83.01253	3.8
83.04898	2.2
85.02842	10.6
87.00750	3.4
89.02316	4.6
93.03293	2.0
94.02865	3.4
95.01234	3.3
96.95874	3.3
98.02333	4.5
99.00742	4.3
101.02299	5.6
108.01988	1.9
109.02849	2.6
110.02386	11.1
110.05985	5.6
111.04414	13.5
113.02316	7.5
119.04901	2.8
120.08081	11.4
122.06006	11.5
124.01514	1.7
124.03947	2.5
136.03902	4.2
137.04796	2.1
138.05475	4.3
144.04366	1.7
150.05496	8.3
152.03452	9.9
154.04984	4.5
162.05421	1.6
163.03853	1.6
168.06612	1.9
171.10013	1.7
174.05557	10.7
193.05142	1.7
201.10144	8.8
203.05757	4.5
211.08391	1.7
213.10265	3.8
227.11862	4.8
229.09821	12.5
229.13441	4.3
235.17078	1.7
237.10332	2.4
239.11926	2.6
241.09718	2.1
249.05914	3.5
251.11812	1.8
253.09792	1.8
255.11368	7.6
257.09253	3.3
257.12878	5.0
265.09766	2.1
267.07401	2.1
267.11514	2.0
273.12411	6.0
279.11307	4.1
283.10913	3.0
289.07318	2.6
293.12939	3.6
301.11951	28.4
302.12177	3.1
309.12350	2.1
311.10483	10.7
312.11087	2.2
313.11786	3.3
317.11496	2.0
319.13022	44.1
320.13495	3.7
325.12146	2.4
343.12830	8.9
344.13757	2.4
358.15353	2.3
360.17221	2.5
370.15598	3.2
372.13205	2.2
376.16550	5.5
386.15338	8.7
387.15909	2.8
391.14563	1.8
405.16498	1.8
412.15851	2.1
413.21768	2.5
414.14661	8.4
414.19284	1.6
419.14594	2.5
428.16119	6.6
429.16660	3.9
432.15469	2.8
434.20743	2.2
446.17068	5.5
485.23578	1.7
509.21759	2.6
527.22552	4.1
543.26263	2.6
545.24078	13.0
550.13745	1.4
551.22614	3.6
569.24213	16.0
570.24298	2.7
587.25183	23.1
588.25677	3.8
590.23608	2.1
613.23047	5.5
619.27863	2.2
631.24115	24.3
632.24091	4.6
645.26324	3.9
663.27069	100.0
664.27411	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	663.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96352	1.8
56.99204	1.7
57.03316	5.2
59.01252	41.4
61.81683	1.8
61.98703	2.8
67.01751	1.9
67.94123	1.6
68.99721	1.9
69.28675	10.3
69.29099	10.7
71.01259	24.8
72.99195	5.8
73.02825	6.9
75.00758	21.8
81.03357	1.8
83.01260	4.2
85.02834	19.0
87.00774	7.4
89.02313	8.6
93.03346	3.1
94.02882	2.2
95.01268	4.6
95.04903	3.1
96.79330	1.8
96.95879	3.1
98.02348	7.1
98.19751	3.0
99.00768	7.9
101.02348	10.0
106.06490	3.0
108.04457	2.6
109.02847	2.1
110.02380	14.2
110.06020	8.8
111.04404	13.7
113.02332	21.6
115.00277	3.9
117.01700	1.8
119.04969	2.8
120.08100	15.2
122.06016	12.8
124.03923	3.4
125.02322	5.1
134.03572	2.4
135.04449	2.1
136.03951	7.1
138.05476	4.4
144.04469	3.2
147.06621	1.8
150.05519	7.6
152.03432	9.9
153.04248	2.5
154.05048	4.7
160.01549	4.6
161.04620	2.4
162.05478	3.4
168.06549	4.9
172.07149	1.9
174.05511	12.4
175.02534	4.5
175.03891	6.0
188.03462	3.5
193.05051	3.3
201.10211	10.9
203.05849	6.2
213.10292	7.1
215.11804	3.1
223.08563	2.5
224.09509	2.1
225.10092	2.1
227.11877	6.5
229.09821	15.8
229.13481	8.3
237.10204	4.4
239.11891	3.2
241.09789	2.4
251.11897	3.0
253.09662	2.4
255.11455	10.6
257.09396	2.2
257.13007	8.0
267.11624	2.0
273.12537	6.5
277.09650	2.3
278.10709	3.6
279.11346	3.8
282.10071	3.2
283.10965	6.8
287.10327	2.9
293.12991	6.2
301.03320	2.5
301.11938	40.6
311.10361	11.4
312.11194	5.0
313.11951	5.7
317.11447	2.4
319.12997	61.8
320.13541	5.2
325.11719	3.1
343.13113	11.9
344.13959	3.6
346.15805	2.9
372.17322	2.9
376.16727	5.2
384.17542	2.3
386.15295	9.5
387.15503	2.9
388.16559	5.1
400.12592	3.0
404.16132	4.1
412.16528	2.9
414.14505	10.7
428.16019	7.1
429.16855	6.3
432.15561	5.7
446.17050	4.4
509.21994	2.5
527.23047	6.2
543.26056	3.8
545.24097	14.4
546.24756	3.0
551.22870	6.3
569.24304	16.3
585.95050	2.6
587.25037	33.4
588.25513	6.7
613.22839	9.5
619.28900	13.9
631.24133	34.3
632.24561	4.8
645.25659	6.1
663.27087	100.0
664.26367	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	663.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79346	1.3
57.03331	1.5
59.01254	15.1
65.79870	1.3
67.01750	1.4
71.01257	8.1
71.58099	2.4
72.99191	1.8
73.02827	5.1
74.31953	1.1
75.00760	1.9
83.01279	2.4
83.04886	1.2
85.02830	4.1
87.00769	1.8
89.02340	4.0
93.03330	1.5
94.02900	2.7
96.95882	2.1
98.02403	1.3
99.00738	1.4
101.02339	4.5
108.04435	3.0
109.02892	2.0
110.02397	2.0
110.06003	2.6
111.04406	3.1
113.02353	3.6
119.03404	1.7
119.04927	4.0
120.08111	2.2
122.06023	14.2
124.03962	2.6
125.02343	1.5
133.02890	2.1
134.03662	3.7
134.06029	3.0
135.04428	17.5
135.06839	1.7
136.03946	5.6
136.07596	13.0
137.04704	1.2
138.05511	5.9
145.05017	1.6
145.08617	1.8
150.05527	15.5
152.03423	2.7
152.07143	2.8
155.87479	1.3
160.01593	3.2
161.02342	5.3
162.05365	1.3
163.03893	2.0
163.06049	13.5
165.01814	1.4
171.89851	1.2
174.05548	3.0
175.03960	4.7
179.03438	18.7
179.05054	1.5
179.05640	1.5
186.09181	2.6
187.09714	2.2
193.05066	4.4
201.06668	3.2
201.10184	2.2
202.07263	2.2
202.08887	1.5
202.12277	3.4
203.05882	1.5
204.13904	1.4
212.10686	2.7
213.06331	1.4
214.07449	1.4
215.08115	3.0
222.14952	4.8
228.10280	4.3
229.09779	22.0
230.09981	2.1
230.11893	10.6
231.11459	1.9
237.10353	1.9
243.11168	1.4
245.09277	5.9
245.12965	1.8
253.09660	1.4
255.11441	6.5
257.09351	7.7
258.10086	2.2
267.07263	2.0
273.12485	25.6
274.13004	1.5
279.11292	1.6
281.09503	1.9
301.11856	8.2
311.10413	1.7
313.12109	2.2
317.11429	24.5
319.12936	8.9
320.13272	1.5
325.09235	4.1
326.03922	1.3
335.12515	100.0
336.12830	9.1
337.09320	2.5
344.13699	1.5
376.16730	1.7
386.15091	3.1
404.16110	1.4
414.14612	3.2
415.15060	1.5
428.15939	2.7
429.16849	1.5
517.13354	2.1
527.23145	2.8
545.24176	3.7
569.24054	4.4
587.25385	6.9
590.23657	1.6
613.23181	2.8
631.24170	10.6
645.25220	2.0
663.27094	9.6
664.28455	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	663.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	1.1
59.01255	16.0
59.01544	1.8
70.75227	2.6
70.75608	2.3
71.01250	5.8
73.02813	1.3
73.43605	0.9
74.15524	1.0
74.35121	0.9
75.00738	1.4
77.41693	0.9
84.17836	1.0
85.02833	2.9
87.00764	1.6
89.02332	3.0
91.76145	1.1
94.02869	3.7
94.98856	1.0
95.04910	1.0
96.95876	1.5
98.02350	1.3
99.00774	1.5
101.02324	3.3
108.04441	4.2
109.02844	4.5
110.06009	4.9
113.02342	4.2
119.04894	2.7
120.08079	2.0
122.06025	10.7
124.03922	4.7
134.03589	1.3
136.03961	5.1
137.04715	2.6
138.05476	7.3
144.04390	1.1
147.05522	2.6
150.05502	5.7
153.01855	8.9
160.01588	2.1
161.02356	2.3
161.04672	3.5
161.97290	1.2
162.05515	1.8
163.03864	2.3
168.06546	1.2
173.98004	1.4
174.05502	5.2
175.03833	2.3
175.05092	3.5
188.03380	1.4
192.06551	1.5
193.03493	1.4
193.05106	2.5
195.44547	1.1
201.10254	16.8
203.05859	2.5
213.10310	6.5
215.11922	2.4
226.07623	1.2
227.11823	5.3
227.76991	1.1
229.09810	21.6
229.13327	7.2
230.13846	1.2
237.10350	2.6
239.11862	11.0
241.09790	2.4
242.10547	1.4
245.12996	2.3
247.10881	3.1
255.11446	3.5
257.12988	6.0
259.10806	1.3
267.07224	1.6
267.11481	2.0
271.10901	1.6
273.12402	7.5
279.11523	1.2
281.08920	1.8
283.10928	3.6
285.12668	1.3
287.10187	1.9
289.11865	6.3
301.11954	24.9
302.12415	2.3
309.12350	1.5
311.10443	1.3
319.12979	100.0
320.13266	9.4
325.12183	1.6
327.13553	4.0
328.14700	1.4
330.12485	1.8
331.13437	1.2
343.12802	5.7
344.13983	3.2
357.10605	1.4
358.15698	2.5
370.11652	1.5
372.13550	4.2
374.14868	1.9
377.13974	1.7
386.15128	7.1
387.16159	1.8
388.16754	4.5
390.14700	2.5
400.17175	2.3
401.17578	1.3
403.15027	2.8
404.16043	11.3
405.16907	3.8
414.14584	1.5
415.15060	1.2
416.16382	1.3
418.14020	1.8
419.14429	1.7
428.16034	2.0
429.16696	1.9
432.15796	5.3
437.16083	5.1
446.17264	4.9
447.17493	5.1
509.21805	1.6
519.26178	2.4
527.22577	8.1
539.23553	1.5
545.24084	20.1
546.24438	4.1
551.22968	4.5
557.24060	2.7
563.25598	2.0
569.24011	15.3
571.22498	1.4
572.22821	1.3
587.25104	56.9
588.25641	7.7
590.23743	4.6
601.23297	3.3
613.23315	8.8
614.23138	1.6
619.27893	1.4
631.24103	67.2
632.24225	11.3
645.25555	6.7
646.26465	1.6
663.26904	38.2
664.26941	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	663.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58095	1.4
57.03307	1.5
59.01249	23.1
69.03316	2.3
71.00892	1.6
71.01254	15.2
71.44727	2.7
71.45081	1.4
72.99183	3.0
73.02813	4.0
73.56788	1.2
75.00732	6.0
83.01254	2.4
85.02830	9.6
87.00729	4.4
89.02300	4.2
95.01242	4.4
96.95888	3.2
98.02345	3.6
99.00746	3.4
101.02322	4.5
108.04411	2.3
109.02829	2.0
110.02375	9.0
110.05971	5.2
111.04415	9.4
113.02349	11.1
115.00220	1.5
116.92648	1.5
119.28357	1.2
120.08070	7.4
122.05994	7.4
123.04409	1.6
124.03912	1.7
130.25690	1.3
136.03883	4.8
137.02377	1.9
138.01830	2.0
138.05531	1.7
144.04445	2.5
150.05499	7.2
152.03442	7.5
153.04173	1.5
154.04953	2.8
160.01511	1.8
161.04665	2.8
168.06506	2.1
171.10233	1.7
173.04604	2.1
174.05550	7.8
201.10220	4.1
203.05858	3.0
213.10226	5.1
227.11819	3.4
229.09766	9.5
229.13371	4.3
235.16983	3.7
237.10333	1.7
239.11937	1.6
249.06140	4.7
255.11388	6.5
257.12808	2.2
267.07507	1.9
273.12375	5.3
277.09836	1.9
279.11453	3.0
282.10135	2.0
283.10886	4.0
293.12924	3.1
301.11942	23.3
302.12479	2.5
311.10370	9.7
312.11282	3.3
313.11847	3.9
317.11536	1.4
319.12985	37.2
320.13635	2.4
325.11813	2.0
342.12164	1.7
342.16003	2.4
343.12860	7.0
344.13559	1.6
360.17245	1.8
372.13223	2.0
376.16449	2.3
386.15009	6.8
388.16315	2.2
400.17026	2.2
404.15988	1.6
412.16684	1.8
413.21710	2.1
414.14438	9.6
415.14630	1.9
428.15964	4.3
429.16653	3.3
446.17142	2.7
477.19778	1.9
478.19388	1.5
527.22791	4.8
541.62006	1.7
545.23840	9.6
551.22607	2.1
569.24048	12.6
570.24121	3.1
587.25208	19.5
588.24976	2.1
590.23651	2.1
613.22717	6.1
619.28015	1.6
631.24316	21.3
632.24664	5.3
645.25482	6.0
646.25641	1.6
663.27264	100.0
664.27332	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	663.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.1
56.62891	1.0
57.03320	1.4
57.05247	1.1
59.01259	20.8
69.03339	3.0
70.06300	3.2
70.06707	2.6
71.01260	11.2
72.99188	2.0
73.02817	1.5
75.00747	3.3
78.95775	1.3
81.03332	1.6
83.01259	2.2
83.04865	1.5
85.02822	7.7
87.00759	3.5
89.02351	5.5
92.47608	1.2
93.03323	2.3
94.02850	3.4
94.06477	1.5
95.01261	2.1
95.04905	1.7
96.95892	1.6
97.02834	1.7
98.02337	3.3
99.00761	3.4
101.02335	5.4
108.04421	2.0
109.02820	1.5
110.02386	7.9
110.05983	5.1
111.04414	11.1
113.02339	8.0
119.03401	1.7
119.04938	2.8
120.08067	8.8
121.02820	1.1
122.06026	9.7
124.03955	2.4
125.02314	2.0
129.01854	1.6
131.03374	1.7
134.03665	3.0
135.02840	1.3
135.04446	6.2
136.03926	4.2
136.07591	1.5
138.05525	2.6
144.04491	1.4
145.02849	3.2
147.05620	2.3
150.05537	5.7
152.03432	9.6
154.05038	2.6
160.01596	2.6
161.02357	2.2
161.04611	2.5
162.05560	1.8
163.03902	2.8
167.03436	1.7
168.06612	6.1
171.10222	2.0
173.04607	1.1
174.05519	8.5
175.02496	2.1
175.03812	2.5
175.05121	1.4
175.08565	1.1
177.48161	1.2
179.03398	4.3
183.13843	3.4
183.36314	1.1
186.48404	1.4
201.09952	5.9
203.05794	3.3
209.11798	2.3
213.10291	4.1
227.11871	4.7
229.09807	10.7
229.13420	3.2
237.10300	3.8
239.11884	3.0
241.09740	2.4
242.10551	1.6
243.11624	1.3
251.11891	1.8
255.11302	6.1
257.09247	2.2
257.12979	3.2
265.09750	1.6
265.14294	1.6
267.07422	3.4
267.11417	2.0
273.12531	3.9
275.14117	1.8
277.09628	1.4
278.10440	1.8
279.11404	2.8
281.09219	1.4
283.10852	5.6
287.10370	1.7
289.07330	1.9
293.13013	2.3
294.10165	1.3
295.10956	2.3
301.11935	23.0
302.11996	2.0
303.10284	1.3
311.10477	7.6
312.11029	2.1
313.11990	4.3
315.14597	1.3
317.11484	1.7
319.12994	35.8
320.13583	4.3
327.13541	2.0
329.15720	1.5
330.12686	1.8
330.16632	1.2
335.07950	1.4
342.12482	1.4
343.13123	6.5
343.16745	1.4
344.13879	1.7
346.15628	3.3
358.15796	1.6
372.13229	1.7
376.16687	3.3
386.15149	7.6
387.15652	1.4
388.16229	1.6
400.12317	1.8
400.16876	2.0
404.16119	3.2
404.84982	1.4
414.14694	9.0
428.16077	3.5
429.16782	2.4
432.15546	3.5
437.15732	1.4
446.17001	4.6
477.19855	7.4
478.20181	2.5
491.16376	1.5
501.19983	1.6
515.22180	1.6
519.25659	1.6
527.22913	4.5
543.26978	1.8
545.24146	9.9
546.24609	1.9
551.22711	3.3
569.24182	13.1
587.25146	23.0
588.25348	3.9
589.22870	1.8
590.23462	1.4
613.23010	5.5
614.23004	1.6
619.27411	4.0
631.23993	22.1
632.24402	3.3
645.25476	5.1
663.26697	100.0
664.27191	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	663.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36666	0.3
55.01764	0.6
56.69806	0.4
57.03320	2.6
59.01247	3.9
67.01739	0.6
68.99697	0.4
69.03325	5.4
71.01255	11.7
71.26393	0.8
72.44198	0.3
72.99159	0.6
73.02821	11.9
78.95757	0.5
79.01754	0.4
80.49255	0.3
81.03322	0.6
83.01277	2.1
85.02826	29.3
86.03168	0.8
87.00755	100.0
88.01090	1.6
95.01264	4.7
97.02834	19.0
98.03156	0.4
103.03889	11.3
109.02824	0.7
111.00755	0.7
113.02336	6.6
114.03150	0.5
115.00256	9.9
115.03911	1.3
125.02345	1.2
129.01804	1.8
137.75468	0.4
139.00316	0.5
157.01334	9.8
175.02405	86.3
176.02827	2.0
217.03490	19.2
218.03801	0.9
303.07227	42.9
304.04565	0.4
304.07474	2.3
321.08270	23.4
322.08664	1.6
324.74377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79530	1.0
57.03326	2.0
59.01261	2.8
69.03333	3.7
71.01248	7.9
71.25853	2.9
73.02824	13.1
78.95769	1.0
83.01249	1.8
85.02831	22.5
87.00758	100.0
88.01128	1.1
92.19144	1.1
95.01276	3.3
97.02836	17.7
103.03892	10.3
111.00793	1.6
113.02352	7.7
115.00253	11.6
115.03929	2.1
129.01877	1.8
157.01352	10.4
175.02415	58.4
175.19003	1.2
176.02687	1.3
217.03500	17.4
227.61354	1.4
303.07251	24.0
321.08243	15.3
517.81433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37225	2.6
59.01250	48.9
60.61398	2.9
71.01262	9.6
71.57695	3.7
73.02814	5.3
85.02828	3.9
89.02306	3.9
95.08350	2.6
96.95924	3.5
99.08038	10.6
101.02347	3.9
104.74911	3.1
113.02346	5.8
119.04956	3.7
125.02373	5.0
127.07547	11.0
127.40055	2.5
135.04410	7.4
137.02345	3.6
145.08612	100.0
146.08914	3.1
151.00423	3.3
161.04643	3.4
175.03935	4.6
179.03473	6.9
187.09692	38.3
229.09753	4.5
254.14229	3.0
273.12509	3.0
301.12091	4.5
310.87418	2.7
319.12943	16.6
335.12439	6.6
337.09882	3.1
559.27686	3.3
587.25116	8.9
631.24060	12.2
663.26715	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	661.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	4.5
57.29431	2.1
59.01255	33.3
60.11698	2.1
61.25802	1.9
69.03312	2.9
69.60548	16.7
70.51676	2.5
71.01259	17.9
72.99194	5.7
73.02832	3.5
75.00758	20.6
85.02834	26.6
87.00768	6.9
89.02322	3.4
95.01279	5.0
96.95907	6.1
99.00747	11.0
101.02328	4.9
107.03657	2.6
109.02848	3.1
110.05997	6.8
113.02335	23.6
119.03386	2.4
121.05228	2.4
122.06012	37.3
125.02366	2.6
127.11224	2.2
129.01895	3.1
134.06021	5.4
146.06042	2.2
147.02881	2.5
148.07687	2.5
151.00290	3.0
160.06274	4.5
161.04649	3.9
162.05472	2.7
166.60402	2.0
174.05516	6.1
175.02464	2.9
178.99728	3.1
180.06590	4.9
188.07047	3.1
201.11353	22.0
203.05844	2.6
203.11792	3.2
209.11775	14.6
211.13400	11.3
213.10287	20.6
213.14932	7.7
215.11884	2.4
223.08699	2.7
223.13371	3.8
227.12898	3.2
237.10292	2.3
239.11847	23.9
240.12482	3.1
241.14415	19.3
243.02888	4.3
244.19037	2.0
249.10347	3.3
251.08022	3.1
251.12019	6.7
253.09734	2.3
255.02968	8.1
263.08221	3.8
264.08926	11.9
265.09821	9.9
266.10175	2.3
267.11383	2.7
271.02362	12.5
273.64813	2.1
277.09830	4.4
278.10553	2.8
279.08670	2.6
279.11368	14.9
280.11868	2.9
281.09445	3.8
281.12833	3.4
283.10925	6.5
285.12430	54.2
286.12683	3.7
291.08020	3.4
291.11392	8.3
292.08594	15.0
293.09296	9.3
293.12930	8.2
294.09906	2.6
300.02713	22.2
301.03503	15.4
301.11908	2.8
306.10004	3.1
307.10861	44.5
308.11456	17.1
309.12427	2.4
311.10370	4.5
313.12057	3.8
321.12259	2.3
325.11914	3.2
340.10654	7.9
343.13373	3.0
344.17783	3.5
350.08966	11.2
351.09821	28.2
352.10254	3.8
354.16315	2.9
356.14185	5.7
365.11624	4.9
365.26819	2.3
370.15646	10.0
371.16248	2.6
372.17258	3.4
381.29233	2.4
384.17114	2.6
387.16071	3.1
398.14908	13.7
399.07373	3.9
402.18292	2.8
412.16849	11.1
413.17490	8.7
430.17706	10.0
433.07648	7.4
447.18369	2.2
448.18677	4.8
456.15524	2.7
462.20209	3.5
474.16873	6.6
491.16763	3.2
492.17599	15.7
506.19351	26.6
507.19681	3.3
511.23340	5.7
523.23450	3.1
524.20306	9.2
535.23840	16.8
536.23413	3.4
538.21881	34.2
539.22351	3.6
553.24524	57.2
554.24701	10.9
567.26508	2.7
579.22461	4.7
585.27301	5.0
597.23499	46.7
598.23840	7.7
611.24731	6.0
615.76947	2.4
617.19507	3.3
617.28149	76.7
618.28577	9.2
629.26233	100.0
630.26373	18.0
643.20331	8.5
661.28949	33.3
662.29041	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	661.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83757	1.4
52.05899	1.8
53.26312	1.5
53.57805	1.4
55.01760	3.0
57.03320	4.5
58.00462	2.1
59.01255	51.1
63.02254	2.2
65.00211	2.3
66.02962	1.5
69.52031	1.5
71.01257	37.5
72.59702	1.6
72.99185	5.9
73.02799	8.8
75.00746	33.5
83.01271	5.1
85.02828	37.3
87.00761	9.9
89.02319	9.2
93.03330	4.0
95.01257	3.9
96.95912	6.0
96.96814	1.7
97.02790	1.7
99.00774	11.6
101.02345	8.7
107.01277	3.2
108.02057	2.2
111.00703	1.7
113.02338	34.3
113.13073	1.9
119.03338	2.1
121.02866	2.4
125.02304	2.9
125.09600	2.3
129.01859	2.6
137.02325	10.7
151.00288	13.6
155.10667	2.0
163.11243	1.9
171.10172	3.8
175.02393	6.0
175.03857	2.6
178.99745	9.9
190.56004	1.8
201.11346	14.3
209.11847	16.5
211.13339	10.2
213.14880	4.8
223.13290	2.7
227.03441	3.8
227.12862	5.9
239.58784	1.7
241.14462	17.7
243.02951	11.0
253.14297	1.9
255.02972	25.5
256.03381	2.8
271.02496	46.3
272.02948	4.2
273.04092	2.2
283.02475	2.0
299.01993	3.2
300.02771	79.2
301.03479	50.0
302.03879	2.4
377.07263	4.8
383.10825	1.9
433.07745	15.2
447.09500	3.4
455.22696	8.0
479.09741	1.8
489.28720	3.3
513.26910	4.1
528.98535	1.8
541.26099	2.1
617.18817	11.0
617.28064	100.0
618.19098	2.4
618.28357	14.7
643.20410	31.3
644.20361	5.8
661.21844	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	661.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70525	1.5
56.71962	1.4
57.03320	6.3
59.00957	2.4
59.01255	47.0
61.98709	1.7
65.00190	1.6
65.24508	1.1
67.01757	1.6
67.51999	1.2
69.03331	2.9
71.01257	30.0
71.58273	1.3
72.99196	5.9
73.02834	7.4
75.00749	36.8
81.03325	1.6
83.01267	4.5
85.02346	2.9
85.02831	37.3
87.00758	11.3
89.02308	5.7
95.01269	6.2
96.95882	3.4
97.02835	1.9
99.00745	14.3
101.02320	8.3
103.00225	2.2
108.56178	1.3
111.00764	3.0
113.02340	34.9
115.00252	5.6
119.03429	1.4
125.02347	3.5
129.01797	1.5
131.03404	1.5
151.00264	6.9
152.99521	3.9
156.00478	2.3
157.01334	4.2
161.04472	3.3
169.01419	1.4
174.01634	6.4
175.02417	8.9
178.99883	2.3
180.13644	1.2
199.03928	2.6
201.11290	5.8
209.11842	6.5
209.20993	1.4
211.13307	3.3
227.03445	3.0
228.03638	1.7
238.54366	1.4
241.01335	3.2
241.14487	4.9
242.02298	3.7
243.02962	8.9
245.00909	3.1
255.02917	6.8
270.01688	6.8
271.02509	18.2
298.01273	5.0
299.01971	53.6
300.02716	19.3
301.03409	8.1
377.07092	2.6
433.07986	6.9
445.07800	42.4
446.08423	11.8
447.09189	3.3
455.22720	2.2
479.10260	2.0
617.28180	100.0
617.74664	1.4
618.28503	18.2
625.15570	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	661.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.1
57.03332	5.4
58.00457	1.0
59.01255	38.7
59.50892	1.0
63.95600	0.9
68.99692	0.8
69.03333	1.9
71.01248	27.7
72.99187	4.0
73.02817	4.4
75.00749	24.9
83.01244	3.5
83.04890	0.8
85.02827	28.8
87.00751	6.6
89.02325	6.1
93.03301	1.0
95.01266	2.8
96.95897	3.4
97.02832	1.2
99.00751	8.9
101.02323	5.9
103.00251	1.0
111.00754	0.9
113.02341	30.4
115.00268	2.9
117.01817	1.9
119.03383	1.2
121.02821	0.7
121.10178	1.2
122.06004	1.7
125.02326	1.3
129.01799	2.5
136.07547	0.8
137.02388	0.9
139.00117	0.9
143.03407	0.9
151.00287	1.5
157.01344	1.3
161.04518	0.7
163.03946	1.0
175.02449	4.4
175.03836	1.1
178.99683	1.1
181.08624	0.8
184.30141	0.9
199.09703	1.5
271.02533	2.0
273.12213	1.0
285.12384	1.0
300.02856	3.3
301.03387	1.9
315.14435	7.9
335.12509	1.9
377.07440	4.7
385.13586	0.9
433.07745	2.0
455.23520	1.1
483.20346	2.3
493.16165	0.9
513.27228	1.8
597.23474	1.1
613.63190	0.8
617.28192	100.0
618.28564	14.9
629.25800	1.1
643.20581	1.2
661.28088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
59.01254	100.0
60.01580	0.6
61.98712	0.5
69.28630	3.4
69.29053	1.6
69.47262	0.4
78.95776	7.4
89.67815	0.4
91.03424	0.4
96.96852	0.6
98.20621	0.8
112.35474	0.5
150.20386	0.5
152.99533	2.4
166.58771	0.4
171.10277	0.8
209.23036	0.5
225.11502	0.5
255.23204	0.5
279.23285	2.3
379.11844	0.9
415.23071	0.5
641.34656	0.5
659.36462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
65.24600	0.7
69.36128	7.0
78.95780	25.5
82.59261	0.8
96.79438	0.6
96.96877	2.1
128.03413	0.7
152.99475	5.7
159.32468	0.7
171.10254	1.4
201.15007	2.7
207.10336	1.4
225.11357	2.1
237.72527	0.7
261.72992	0.8
277.21725	0.9
279.23297	5.9
323.71762	0.8
346.05560	0.7
379.11993	1.0
402.18448	0.9
415.22424	0.9
552.73248	0.8
566.15253	0.8
598.98871	0.9
659.34863	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	661.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95317	5.5
54.78365	4.8
59.24427	5.9
69.74870	38.5
71.04891	13.1
75.66829	4.9
90.02191	5.4
97.02841	14.7
98.20549	7.0
108.02077	36.4
109.02853	10.9
136.95366	6.2
139.03920	100.0
152.01074	29.1
153.01845	7.3
192.53854	6.0
254.99768	5.5
315.07257	48.8
327.17325	7.0
345.08347	48.7
370.74869	6.5
452.42401	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	659.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88567	3.0
55.01745	3.5
57.03339	6.0
58.00470	5.3
59.01253	100.0
69.03316	3.8
71.01255	80.5
72.01594	3.1
72.99174	10.6
73.02824	8.9
75.00739	6.0
80.96390	2.9
83.01247	4.3
85.02818	21.1
87.00735	3.3
89.02323	55.6
94.99400	2.8
95.01270	3.6
96.95911	12.0
99.00751	6.0
101.02318	18.6
111.04409	8.4
113.02309	14.4
119.03369	6.0
119.04896	3.8
119.08566	55.5
125.02382	7.6
131.03372	6.5
134.03609	3.8
137.02364	3.4
149.04425	3.7
151.00285	3.8
153.01915	5.1
159.50743	3.0
161.09610	3.8
163.07570	21.3
164.18333	3.5
165.01770	3.4
165.09097	6.5
169.08658	3.4
175.03912	4.3
175.07611	5.7
181.08636	8.5
183.10167	6.1
187.10852	3.7
195.06534	2.7
199.09666	14.6
209.11775	3.2
309.13370	4.2
313.12903	12.1
327.14459	13.5
329.15988	3.3
345.15457	9.4
447.09271	3.7
599.28717	3.2
611.27069	30.8
612.27209	4.7
615.26129	9.5
623.27203	25.1
629.28217	63.6
630.28442	11.1
641.28156	49.1
642.28168	6.8
659.29309	69.7
660.30005	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	659.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82685	1.3
54.85453	1.2
56.07386	1.2
59.01247	11.6
61.98689	4.1
71.01254	7.3
73.02823	1.9
78.95778	15.9
83.04906	2.2
84.08165	1.2
85.02816	3.8
87.00751	1.6
89.02319	3.5
94.98505	1.1
95.01326	1.9
96.96851	4.6
99.00785	1.8
101.02325	5.9
108.52709	1.5
113.02294	2.9
115.07531	2.9
125.02348	2.6
128.03503	1.6
128.90074	3.1
152.99493	17.5
161.04422	2.5
163.11169	3.0
165.12749	8.1
169.12144	1.4
171.10175	17.9
183.13840	96.9
184.14191	4.9
185.11838	2.3
186.12271	1.5
195.13857	12.8
207.10197	1.6
209.10175	1.1
209.11771	48.7
210.12126	5.0
211.13377	16.4
212.13647	3.7
213.14919	100.0
214.15308	5.2
222.99991	2.0
227.12843	11.8
229.14435	2.0
235.08148	3.7
235.97812	1.4
241.01131	8.9
253.09213	10.1
260.34970	1.5
271.02518	2.2
300.02954	2.4
315.04770	4.2
333.05737	1.3
445.20813	1.8
463.21872	3.6
487.15948	9.9
659.26862	6.4
659.36523	66.4
660.37042	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	659.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91208	2.7
57.03329	10.5
58.00457	9.6
59.01255	100.0
65.00198	3.4
67.05382	5.4
69.03337	16.7
71.01257	87.8
71.57974	4.7
72.01576	3.2
72.99190	11.9
73.02828	12.8
75.00755	11.7
75.82145	2.6
80.96349	3.7
81.03348	3.2
83.01270	9.9
83.04904	2.8
85.02840	24.5
87.00739	6.4
87.59788	2.6
89.01814	5.5
89.02322	54.1
93.03315	5.5
95.01254	3.4
96.95880	21.0
97.02871	3.9
99.00768	8.8
101.02334	23.7
109.02834	8.3
111.04395	12.4
113.02331	23.9
119.03400	6.1
119.04934	4.0
119.08561	53.9
123.04391	4.8
125.02332	8.2
125.09610	9.6
131.03441	4.8
132.02109	2.9
137.02333	6.4
143.03371	4.3
149.02313	5.5
149.04503	3.2
149.05983	3.2
150.89664	3.2
151.00311	2.9
153.01851	10.6
161.04492	6.4
163.03943	4.7
163.07532	22.5
165.01891	2.6
165.09175	4.6
168.04155	8.9
169.08621	11.6
175.03857	3.2
175.07587	5.6
180.04269	3.0
181.05054	3.7
181.08612	44.6
183.06628	4.3
183.10172	4.2
184.02638	2.8
193.05002	3.9
199.09700	41.3
205.05020	3.3
209.11865	5.9
249.06145	3.6
284.03024	4.1
304.05759	4.4
309.13599	3.5
313.12860	12.0
315.14661	3.0
327.14575	14.2
329.16202	3.5
330.16919	3.1
345.15616	11.1
374.09756	2.9
447.09268	5.8
459.15167	5.0
473.21866	4.1
477.16125	11.3
490.16086	9.0
599.30499	4.9
611.27167	29.6
612.27582	3.6
615.26141	11.9
623.26971	27.0
629.28156	48.8
630.28259	8.3
641.28229	49.1
642.28278	6.3
659.29395	63.1
660.29523	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	659.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19178	2.3
51.81145	1.8
53.59184	1.8
57.03315	3.1
59.01258	15.9
61.98706	15.7
69.03301	3.0
71.01255	18.9
71.20853	3.4
71.21207	5.4
73.02810	5.4
75.00743	4.6
78.95776	8.2
79.95607	8.2
80.96395	18.8
83.01266	4.2
83.06416	2.5
85.02829	8.7
87.00726	4.0
89.02324	9.5
90.55991	2.0
94.06509	18.1
94.97962	3.8
96.95879	4.2
99.00761	4.2
101.02331	8.5
106.06503	11.7
109.02831	3.3
113.02296	6.6
118.06528	12.9
120.08076	7.1
122.06043	16.9
122.97527	2.4
124.07596	13.8
125.02325	4.0
134.06041	3.4
136.07574	3.6
137.02357	3.0
140.31026	2.7
148.99078	2.3
151.00291	6.3
152.99516	7.1
155.10603	2.5
160.03888	2.6
161.71230	2.3
164.98540	3.2
168.06528	2.3
171.10185	10.4
175.03879	4.3
178.99702	5.6
183.10213	2.5
185.11763	4.7
190.05092	2.4
199.09682	4.6
205.05247	3.1
208.53209	2.3
209.11804	12.1
210.12228	4.3
211.13284	10.8
212.13696	3.7
215.11694	2.4
223.08812	3.8
225.00697	8.7
229.14558	2.1
237.10234	2.8
239.08240	2.2
239.11874	6.5
241.01245	3.5
241.09824	2.9
249.10410	2.5
253.06335	2.9
253.09532	3.8
255.07869	2.3
255.11105	2.6
262.07358	2.9
263.08270	15.7
264.08951	3.7
265.09897	3.1
266.06970	2.6
267.07904	4.8
267.10989	3.0
269.09021	2.5
269.12985	4.0
271.02295	3.6
277.09863	11.5
278.07132	2.9
278.10559	8.5
279.07690	3.6
279.11307	4.3
280.08588	3.5
281.09256	7.6
283.10889	19.4
291.07794	52.3
292.08035	7.2
293.09308	7.7
294.09818	2.9
295.10843	13.2
300.02686	3.0
301.03403	5.3
305.09317	11.9
306.10101	52.1
307.10809	9.3
308.08188	2.5
309.08954	3.9
313.11871	4.1
321.12329	5.6
323.14017	2.7
329.16159	2.4
338.09183	6.7
350.09091	100.0
351.09433	8.6
365.11343	17.4
370.11487	3.4
380.10513	2.8
382.15311	3.1
387.15192	3.5
388.16574	3.7
396.13519	12.3
397.14063	6.5
402.18152	3.5
410.15128	3.3
411.15717	10.7
416.15961	4.5
418.17719	5.3
420.19196	15.2
428.16068	5.3
446.17291	12.6
460.18839	3.1
464.17920	5.1
471.15619	18.3
478.19742	10.4
487.17288	8.0
490.16232	42.7
491.16788	4.6
496.20917	24.0
500.36905	2.6
505.18521	18.3
506.18546	3.5
522.18903	20.2
527.17529	3.9
537.21265	6.1
551.22943	16.9
565.24713	11.7
566.24548	2.6
566.33173	5.4
583.25714	7.1
595.22009	5.3
609.23517	15.6
615.27948	3.6
623.24341	3.8
627.24591	55.8
628.24939	12.1
629.26147	5.9
641.26184	78.2
642.26569	15.1
659.26831	48.8
660.27734	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	659.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	12.3
59.01261	6.3
61.41331	1.0
64.96063	1.1
66.04858	1.1
67.05399	5.9
69.03330	39.3
71.01268	8.3
72.64495	1.1
72.99196	2.3
73.02825	2.2
73.34498	1.2
80.96377	1.2
83.01209	1.3
85.02818	5.0
85.86331	1.3
87.00748	2.1
89.02322	3.0
96.95878	2.8
99.00758	4.4
101.02325	4.6
104.68394	1.4
111.04414	8.8
113.02341	8.6
119.04889	1.2
121.01808	1.0
121.02781	1.2
125.02378	1.3
125.08746	1.6
125.09631	24.6
137.09569	3.0
153.01848	13.7
155.10695	3.1
161.04477	4.8
165.94751	1.2
168.04219	23.1
169.08638	21.0
181.08640	97.9
182.08986	3.9
183.06561	18.0
199.09711	100.0
200.10023	4.1
229.36176	1.3
240.49466	1.1
251.09084	1.7
271.02487	1.4
296.61359	1.1
306.94580	1.2
345.11993	1.7
447.09476	1.7
448.66107	1.8
459.14957	6.3
471.15475	1.5
477.16132	29.6
478.16385	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	659.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92050	1.1
57.30752	1.1
59.01240	4.3
69.03316	5.4
71.01257	2.5
71.57568	1.1
71.57913	1.1
81.03316	2.0
83.01238	1.9
85.02840	2.0
89.02332	1.6
90.58871	1.1
95.01266	3.7
97.02834	4.6
98.04539	1.0
107.01305	2.1
109.02808	3.5
113.02351	1.3
121.02825	2.0
123.00761	11.6
123.04458	1.2
124.01561	26.0
125.02339	71.9
126.02663	2.7
137.02335	5.5
139.84488	1.1
149.99500	39.2
151.00310	7.5
153.01859	1.7
165.01952	1.5
167.03343	1.8
168.00560	80.8
169.01337	10.8
174.06491	1.1
183.10207	1.2
210.14066	1.1
271.02545	1.6
300.02625	2.1
313.05585	2.8
331.06223	1.3
341.98349	1.2
390.55417	1.2
479.15527	1.5
497.16806	11.2
498.16891	1.7
659.21899	100.0
660.22217	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	659.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43009	0.5
57.03316	0.8
59.01232	2.9
66.96339	0.6
69.03333	4.5
69.43356	5.2
71.01247	2.0
81.03313	1.2
83.01257	2.0
85.02808	0.9
89.02312	1.0
90.88992	0.7
91.27682	0.6
95.01254	2.6
97.02834	4.6
101.02357	1.0
107.01296	1.8
108.02046	1.6
109.02839	1.0
113.02293	1.3
114.10021	0.6
115.00244	0.7
118.82446	0.7
121.02830	1.2
123.00777	9.7
124.01553	25.3
125.02341	67.0
126.02679	1.9
137.02336	3.4
149.99493	34.6
151.00266	4.4
151.03935	1.1
165.01825	0.8
167.03407	1.7
167.10683	1.2
168.00546	67.9
169.01320	8.9
179.03447	1.0
202.59517	0.7
205.72118	0.8
253.13324	1.0
313.05627	1.9
449.35251	0.7
463.16254	1.3
481.17105	12.9
482.17361	0.9
615.24323	1.8
627.87579	0.8
659.21875	100.0
660.22296	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	657.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
57.03325	0.9
59.01248	5.4
59.44254	0.4
66.89407	0.4
69.03329	0.7
71.00882	0.6
71.01251	4.2
78.95777	0.5
79.61713	0.3
81.03344	0.7
83.01266	0.6
83.04889	0.7
85.02821	1.5
87.00761	1.2
89.02315	2.9
95.01266	0.7
98.20665	0.7
101.02326	4.5
105.25910	0.4
111.08071	0.8
113.02361	2.0
119.03403	0.7
123.04398	0.5
125.02318	0.9
161.04530	1.0
161.05878	0.4
163.11145	0.9
165.12794	6.5
179.05554	0.7
183.13849	100.0
184.14183	5.5
193.12265	1.4
207.10185	0.6
209.11794	9.7
210.12132	0.8
211.13350	51.3
212.13670	3.0
227.12843	7.4
228.13214	0.5
230.08072	0.5
235.08192	3.0
253.09279	5.4
275.33771	0.5
419.22952	0.8
445.20746	2.2
447.21930	0.8
463.21838	6.1
464.22006	0.6
613.64008	0.5
639.33356	0.8
657.34857	49.5
658.35284	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	657.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
57.50043	0.4
58.00459	0.5
59.01257	10.9
61.98703	1.1
69.03306	1.0
69.30949	1.4
69.31367	2.5
71.01259	7.7
72.99181	0.9
73.02824	2.5
75.00755	1.0
78.95802	0.7
79.95612	2.6
80.02551	0.5
80.96397	1.5
81.03346	1.2
83.01289	1.0
83.04902	4.0
84.02051	0.8
85.02823	3.5
87.00761	1.7
89.02318	4.9
95.01218	0.4
96.95882	1.2
97.02843	0.6
99.00748	1.0
101.02338	4.8
103.03878	0.6
107.01279	0.7
109.02856	0.4
113.02322	2.7
114.05510	0.4
117.03363	0.8
119.03399	1.1
119.04901	2.9
119.08566	1.3
120.01140	0.4
121.02881	0.4
121.10110	0.6
122.25744	0.4
125.02340	1.0
133.03000	0.4
135.08084	0.4
137.02368	0.8
143.03400	0.7
145.02898	2.2
149.02354	0.5
151.00272	2.1
152.00989	0.6
152.99469	0.9
155.10805	0.5
160.01552	0.5
161.04466	1.3
163.03912	2.5
163.07564	1.0
163.11209	3.8
165.09111	0.7
165.12808	2.3
167.14308	0.5
169.01338	0.6
171.10175	3.3
175.03928	0.6
178.99780	2.9
179.05568	1.0
181.08759	0.5
181.12262	0.7
183.10278	0.4
183.13843	6.3
190.02629	0.6
191.10683	1.3
193.04985	0.8
193.12277	1.7
205.05098	0.5
206.99002	0.4
209.11784	75.8
210.12128	5.2
211.13351	100.0
212.13683	6.0
225.00752	0.6
227.12846	10.4
228.13220	0.8
229.14430	1.2
235.08214	3.2
235.13345	0.5
241.09789	0.5
243.05489	0.6
249.14894	2.6
253.09299	8.8
255.02922	0.5
257.12970	2.9
271.02560	0.4
279.11545	0.4
301.11850	2.6
307.08258	0.6
319.22675	0.8
327.14471	1.2
329.16187	2.3
341.14478	0.4
367.11987	0.5
385.23932	0.6
403.24768	0.6
421.25842	0.4
447.22433	2.9
454.90414	0.4
471.13104	1.3
475.13956	0.5
493.14914	0.6
495.37561	0.7
511.16135	0.6
555.87787	0.5
621.32837	1.0
627.30420	1.2
639.31281	1.4
640.31433	0.7
657.21216	0.8
657.31628	5.5
658.31763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01340	0.9
55.01763	2.5
57.03329	2.7
58.00483	2.7
59.01255	45.8
61.98712	1.2
69.03348	2.0
69.42764	9.2
71.01257	31.5
72.99189	3.8
73.02821	11.1
81.03342	4.5
83.01269	3.8
83.04903	7.8
84.02058	0.9
85.02829	15.0
85.06471	1.6
87.00768	1.7
89.02312	13.2
93.03361	1.1
95.04915	1.5
96.95919	1.5
97.02836	1.2
97.06475	2.2
99.00787	2.9
99.04426	4.3
101.02327	14.5
103.03886	6.1
109.02876	2.1
109.06495	2.0
111.08069	2.2
113.02370	3.3
113.34476	1.2
119.03416	3.7
119.04938	1.7
119.08545	18.5
119.09307	1.5
121.10143	4.1
123.08012	0.9
125.09605	5.5
127.03925	1.4
133.06506	1.0
137.09666	2.3
141.08972	1.0
143.03366	1.0
145.02933	1.2
145.04955	1.5
147.30064	1.1
151.00264	1.3
161.04507	3.7
161.40407	0.9
163.06184	1.9
163.07611	7.9
163.11218	2.4
165.09157	4.2
165.12859	2.8
167.10715	2.8
171.10184	20.2
179.05519	1.3
181.12361	1.1
183.10260	4.4
183.13853	12.1
185.11783	1.4
193.12274	1.1
202.24687	0.9
205.15932	3.1
207.10309	1.7
207.13960	0.9
208.91705	0.9
209.11781	51.3
210.12151	5.8
211.13361	51.2
212.13741	3.8
215.14436	1.5
221.15405	2.2
222.67892	1.0
224.36748	0.9
227.12883	6.8
231.13995	2.0
233.15425	12.8
235.08258	2.2
235.13460	1.5
248.39130	1.0
249.14914	12.3
249.17091	1.1
250.15396	1.4
253.09227	9.6
271.02481	1.7
283.19131	1.0
299.02255	2.3
309.13669	1.5
311.15158	2.6
327.14594	4.1
329.16031	16.0
330.16644	1.2
341.11465	1.1
341.24896	2.2
367.22751	1.6
375.26013	1.2
377.27115	1.5
385.23688	5.5
403.24908	14.9
404.25357	2.3
421.25970	21.2
422.26611	1.3
446.08978	1.0
627.30457	2.6
628.30554	1.4
639.30139	45.3
640.30640	9.8
657.34033	100.0
658.34235	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	657.3131
Annotation	Ajugaside A
Peak:m/z	Relative Intensity
50.26200	0.6
55.01752	1.6
57.03325	2.3
58.00455	2.1
59.01253	42.4
59.17001	0.6
60.70976	0.6
69.03300	1.0
71.01255	24.2
72.99168	1.4
73.02821	10.9
81.03334	2.1
83.01255	2.2
83.04893	2.5
85.02335	0.4
85.02820	12.3
85.99892	0.6
87.04385	0.7
89.02323	9.0
98.19776	1.7
99.00745	2.3
99.04394	1.8
101.02334	7.8
103.03886	6.5
104.33238	0.6
109.02851	1.3
111.04385	1.5
114.02441	0.7
119.03382	2.6
119.08562	23.3
121.10141	3.3
127.03896	1.5
137.09601	0.7
138.38516	0.6
145.04933	1.2
163.06177	1.2
163.07536	8.6
163.11224	1.1
165.09145	4.1
167.10672	2.6
181.08636	0.9
183.10201	3.6
190.36258	0.6
207.10324	0.9
209.11775	2.0
211.13327	1.1
309.13391	3.1
311.14966	1.1
327.14520	4.4
329.16052	10.4
345.15601	1.2
475.23105	1.0
477.24579	0.9
501.49506	0.6
520.64105	0.6
626.52716	0.7
627.30383	4.3
639.30255	55.9
640.30450	8.3
657.31299	100.0
658.31665	19.5
658.39990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.2
55.03876	1.9
57.03326	2.9
58.00455	2.5
59.01258	65.4
70.77567	6.3
71.01256	36.4
72.99175	5.9
73.02822	16.8
80.35044	1.9
81.03322	3.7
83.01265	5.0
83.04897	4.6
85.02399	2.3
85.02836	21.5
89.02339	11.2
99.00756	3.5
99.04372	2.1
101.02314	14.4
103.03914	10.8
104.91975	1.7
111.04337	2.2
119.03384	3.6
119.08573	26.3
121.10114	8.0
127.03906	3.1
145.04984	2.3
150.06870	2.4
163.06137	3.4
163.07541	12.3
163.11148	4.5
165.09085	8.0
165.12721	1.9
171.10152	3.5
183.10176	7.7
183.13821	8.3
198.46257	2.0
209.11787	27.4
210.12115	3.8
211.13396	33.1
212.13672	2.3
227.12775	7.5
253.09084	2.4
299.01605	2.2
309.13409	2.7
311.14969	5.0
327.14496	4.7
329.16055	26.9
376.36520	2.3
627.30536	5.6
627.96301	2.2
639.30280	82.6
640.30322	11.0
657.31274	100.0
658.31323	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	657.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.8
57.02563	1.8
57.03310	5.1
58.00462	5.1
59.01255	82.7
59.86168	1.7
69.03323	2.6
71.01257	37.6
72.99192	3.5
73.02833	17.4
74.66342	1.7
80.33237	1.9
81.03334	6.3
83.01249	5.4
83.04919	2.6
84.69183	1.6
85.02828	31.8
89.02309	14.3
98.20588	4.1
99.00751	5.4
99.04424	3.7
101.02328	10.6
103.03915	10.0
107.94160	1.7
109.02850	4.2
111.04348	2.4
119.03430	2.8
119.08561	38.9
121.10120	6.0
127.03909	3.4
163.06264	2.3
163.07513	9.2
163.11143	1.8
165.09087	3.8
183.10194	5.8
193.82565	1.6
200.18387	1.7
211.13408	2.8
229.44839	2.0
309.13174	2.8
311.14996	3.0
327.14420	5.9
329.15927	11.5
627.30634	3.5
639.30249	55.8
640.30511	6.8
657.31311	100.0
658.31757	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	657.3133
Annotation	Ajugaside A
Peak:m/z	Relative Intensity
55.01748	3.5
57.03322	4.0
58.00482	3.6
59.01251	56.6
61.98702	8.9
69.03330	3.8
69.32180	13.1
71.01257	39.3
71.01663	2.0
72.99183	5.2
73.02824	11.9
75.00762	2.2
78.95766	13.0
81.03330	4.2
83.01257	3.8
83.04905	3.1
84.02054	2.2
85.02829	22.6
87.00773	2.1
89.02322	13.0
93.03333	1.8
93.54092	1.1
95.01279	1.7
96.95862	1.5
96.96840	2.8
97.02856	2.3
98.02392	1.3
98.19825	1.9
99.00745	6.6
99.04409	4.1
101.02328	11.8
103.03894	4.5
108.02054	1.9
108.57240	1.2
109.02837	4.8
111.04450	1.3
113.02341	4.8
119.03402	4.1
119.08543	21.1
121.02873	2.4
121.10135	5.5
125.02363	3.7
125.09624	1.2
127.03899	1.7
135.04405	1.7
137.02345	3.6
137.09654	1.4
145.05013	1.5
151.00305	5.3
152.99475	10.5
153.01820	1.7
161.02325	1.7
163.06316	1.8
163.07544	9.3
163.11201	1.6
165.05527	2.0
165.09167	5.5
167.10699	3.6
171.10191	7.6
174.01535	1.6
175.03914	2.4
178.99812	2.3
181.05042	2.7
181.08649	3.2
183.10190	6.9
183.13834	1.8
192.04292	1.7
193.01340	1.3
193.12254	2.8
207.06511	1.8
207.10312	1.6
209.04608	1.9
209.11790	13.8
211.13342	12.8
214.99767	1.2
223.06210	2.4
223.13348	4.4
225.14894	2.1
227.12883	3.1
241.01247	4.6
243.03026	1.3
253.09311	1.9
255.03052	2.4
257.12924	3.4
271.02484	2.8
284.02832	1.6
285.03787	2.1
299.01965	2.8
300.02734	4.8
301.02942	1.7
302.03284	1.7
309.13489	3.0
315.04785	1.5
327.14365	8.1
329.16022	11.8
341.23178	8.5
345.15530	4.6
397.13449	4.5
415.14722	2.6
432.14417	2.4
433.14923	2.9
436.18756	2.0
446.08472	1.5
447.08667	1.6
448.09250	1.8
449.25027	1.7
493.24823	1.6
495.26974	1.5
544.83118	1.4
569.24243	1.6
613.23450	3.3
614.23315	1.4
621.27777	3.0
627.30524	4.2
639.20563	1.4
639.30182	31.6
640.31311	5.8
657.31232	100.0
658.31451	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	657.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	4.0
58.00467	4.3
59.01255	70.8
62.43527	2.0
66.55550	2.0
69.65980	8.0
69.66400	6.8
71.00900	2.7
71.01260	36.0
72.99170	3.3
73.02814	15.7
74.97783	2.2
81.03341	3.3
83.01267	3.7
83.04893	2.4
85.02819	20.4
89.02322	15.1
98.20488	2.9
99.04424	2.9
101.02321	14.2
103.03895	10.4
108.12770	1.9
111.04423	3.9
113.02319	2.2
119.03388	4.0
119.08563	29.5
121.10102	6.8
127.03873	1.9
134.44791	2.1
142.41663	1.8
145.04996	3.0
150.27567	1.8
163.06233	2.8
163.07536	14.2
163.11174	2.9
165.09161	9.9
167.10625	3.4
168.78206	1.9
171.10159	2.1
183.10167	4.9
190.58943	2.0
201.67731	2.3
207.92465	1.9
209.11797	18.4
211.13338	18.1
216.32175	2.2
227.12729	2.6
309.13495	3.7
311.15204	2.5
327.14493	9.7
329.16080	23.9
563.54584	2.3
595.22839	2.7
627.29816	5.9
639.30231	75.0
640.30426	14.0
657.31281	100.0
658.31476	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	657.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16495	0.7
53.04775	0.8
59.01252	100.0
60.01591	0.8
69.03314	0.9
71.01263	2.9
72.99196	1.2
83.01289	1.0
85.02831	1.1
87.00771	1.4
89.02316	1.1
95.01298	1.1
97.90105	0.7
98.19843	2.1
99.00772	1.4
105.03372	0.8
108.20422	0.7
109.02840	1.0
113.02339	1.4
123.00766	1.9
124.01587	1.7
125.02355	2.4
137.02365	3.1
139.00262	0.9
139.03952	0.7
145.02811	0.8
149.02336	0.9
149.99515	2.1
151.00275	1.6
151.03818	1.0
152.00957	1.0
153.01894	1.2
161.02344	4.0
162.03020	0.7
163.00313	1.0
165.01840	33.5
166.02225	1.5
166.99768	1.6
168.00539	4.1
169.01389	1.0
175.03958	1.1
176.04759	2.9
178.99883	1.4
179.03424	19.7
180.00743	0.8
180.04205	27.1
181.04561	1.1
187.03957	0.7
191.07112	2.1
194.05789	13.7
194.07437	1.3
194.99358	1.0
195.02908	1.7
195.06567	44.5
196.06975	1.2
197.04631	1.0
205.01411	1.2
209.08133	24.8
209.10045	1.6
210.05290	7.0
210.08548	1.3
215.03426	0.9
225.07643	71.2
226.07990	4.1
229.01404	1.0
231.03015	1.7
233.26997	0.7
243.02943	1.6
259.02469	2.0
271.02524	0.9
287.02036	3.7
299.02008	0.8
300.02707	1.0
301.03558	1.6
315.01636	2.4
329.10419	1.0
331.01187	2.3
357.09982	3.4
372.12274	5.4
387.14474	27.2
387.19144	1.6
388.15015	3.4
435.16605	13.1
435.22275	1.1
436.17050	1.2
511.11197	1.1
542.57819	0.9
583.12872	0.9
657.16699	5.5
657.26343	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25003	0.3
55.60819	0.4
57.29596	0.4
59.01238	0.5
66.65215	0.4
71.01258	2.1
71.14249	0.6
71.14576	0.6
73.02815	0.7
73.82098	0.5
83.01226	0.4
85.02823	1.3
93.03326	0.5
95.01270	0.9
99.00797	0.6
101.02315	0.7
108.02060	57.3
109.02863	19.3
110.01350	0.4
110.03220	0.5
113.02320	0.5
121.02826	1.3
123.00790	0.9
123.04430	0.9
124.96648	0.4
133.02852	0.9
135.04428	0.6
145.01247	0.5
150.32225	0.4
151.03938	1.5
152.01070	47.4
153.01863	19.0
154.02147	0.4
158.59276	0.4
163.03940	1.5
165.01852	1.3
195.02960	0.6
315.07239	100.0
316.07562	6.8
329.77014	0.5
451.09061	0.5
472.45486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76698	0.7
55.08057	0.5
59.01254	66.4
59.92871	0.6
61.91759	0.6
65.00190	0.8
69.37660	0.8
69.38059	6.0
71.01244	1.9
72.99181	0.6
75.00726	1.6
81.71293	0.6
83.01266	0.8
85.02820	1.2
87.00706	0.8
87.67835	0.7
88.98649	0.8
89.02333	1.1
93.03300	0.8
95.01282	0.9
98.20503	1.2
99.00771	1.7
101.02332	0.8
109.02853	1.4
111.00763	1.9
119.04919	0.8
125.02314	1.1
136.89941	0.7
137.02362	5.4
139.00241	1.9
147.04456	0.7
149.02327	0.7
149.52753	0.6
151.00252	2.6
151.03862	0.7
151.99731	0.6
152.00955	0.8
154.99767	1.5
159.04419	1.0
161.02402	4.4
163.00293	0.8
163.04021	1.2
165.01849	45.1
166.02226	1.4
166.99733	1.8
169.01353	0.9
175.02292	0.7
176.04669	2.2
177.01854	1.6
178.99799	2.3
179.03424	14.8
180.04195	34.7
181.01328	1.8
181.04604	1.4
189.01909	0.8
190.99767	0.7
191.03204	0.7
191.07115	0.7
193.01413	0.7
194.05760	8.4
194.99248	1.3
195.02969	1.5
195.06564	45.9
196.06903	2.2
203.03375	1.0
209.08139	24.4
210.05296	6.6
210.08499	1.7
213.01857	0.9
218.02266	0.7
219.02945	0.9
225.07648	100.0
226.08017	5.6
231.02977	1.1
243.03062	0.9
245.00929	0.8
249.03796	0.7
257.00769	0.9
259.02548	2.5
271.02490	1.4
275.02014	1.5
287.01978	5.1
300.02643	1.8
301.03314	1.3
303.01437	1.8
303.41113	0.8
305.03152	1.2
315.01514	4.3
331.00812	3.7
332.01205	0.8
390.27463	0.6
422.49081	0.6
435.16757	4.7
482.74026	0.8
507.20752	0.7
521.11578	0.9
630.33948	0.8
639.12457	1.4
657.13763	2.4
657.26489	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21048	2.0
58.00462	3.5
59.01254	54.3
69.60643	2.2
69.78111	8.0
69.78522	5.0
69.88568	2.2
71.01253	53.3
72.99198	4.2
73.02815	2.8
75.00761	2.8
79.70678	2.4
83.01250	3.2
85.02825	11.4
87.00739	11.6
89.02319	63.3
93.03333	2.3
95.01262	4.7
99.00764	2.9
101.02306	16.0
111.04350	2.4
113.02343	18.6
119.03391	15.6
119.08562	35.9
126.59886	2.6
128.03571	2.1
131.03392	6.8
135.00871	2.2
139.13063	2.1
149.04485	3.5
161.04442	3.2
163.07568	41.7
164.07793	2.4
174.47874	2.4
175.07561	4.0
179.05498	14.3
181.04889	3.7
191.05548	3.4
267.97589	2.3
301.12970	22.3
313.12927	37.4
323.09848	16.0
331.14014	6.7
341.10870	100.0
342.11261	6.5
355.14142	2.5
364.65500	2.9
487.18295	15.7
625.23920	5.2
655.25043	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	655.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.7
59.01257	8.1
61.98701	4.3
63.02270	1.1
65.00208	3.0
67.05406	0.5
69.03310	0.7
69.60542	4.3
71.01255	5.9
72.99183	1.2
73.02814	1.4
81.03331	0.9
83.01287	2.9
83.04898	2.4
85.02827	2.4
87.00749	1.4
88.98689	0.8
89.02321	3.1
93.03337	1.3
95.01263	0.7
95.04897	0.6
96.95864	0.9
97.02822	0.9
99.00773	0.9
99.04418	0.9
101.02332	2.3
101.03857	0.9
107.01291	5.1
108.02071	0.9
109.02842	1.4
111.04405	1.0
113.02334	2.7
116.92789	0.7
117.03333	0.9
119.03391	1.0
119.04939	1.0
121.02845	2.1
124.01544	1.5
125.02376	1.4
125.09566	0.7
130.51956	0.5
133.02779	0.7
134.03613	1.1
135.08113	0.7
135.78125	0.6
137.02328	1.8
139.03909	1.1
143.04915	1.2
145.02873	1.5
147.04507	0.7
149.02306	1.3
150.99138	1.0
151.00296	16.8
152.99512	0.6
155.04915	1.0
157.02835	1.0
159.04385	1.3
160.01582	1.6
161.02359	2.0
161.04417	0.8
161.05806	0.8
163.03983	1.0
163.11230	1.5
165.12778	1.3
169.01382	1.1
171.04454	2.0
171.10188	1.6
174.01524	0.6
175.03952	2.5
175.63927	0.6
178.99847	4.0
179.03375	0.6
179.05617	0.7
181.08649	17.6
182.03601	0.7
182.08987	0.7
183.04413	4.0
185.02257	1.0
186.03142	1.2
187.03925	1.8
189.01962	0.7
190.02679	1.0
193.93361	0.6
198.03177	1.3
199.03952	9.1
201.01913	0.7
203.03398	0.9
207.10107	0.8
209.11783	49.2
210.12143	1.5
211.03917	1.1
211.13383	2.0
214.02606	1.7
215.03482	3.7
216.00624	0.6
223.06171	0.9
225.11307	0.9
226.02620	0.9
227.03476	6.1
227.12833	3.0
230.02148	0.8
241.01440	11.6
242.02118	4.2
243.02985	17.7
244.03358	0.8
245.00946	5.5
247.13454	1.0
253.09215	3.5
254.02290	1.2
255.02977	18.3
256.03543	1.9
270.01672	16.4
271.02481	44.6
272.02850	3.6
283.02469	5.6
284.03342	3.2
285.04059	2.1
287.22513	0.6
298.01169	7.7
299.01978	100.0
300.02670	33.8
301.03513	15.7
302.03772	0.8
313.03461	3.4
315.05038	1.2
401.23532	1.4
445.07785	62.6
446.08450	26.1
446.13354	0.4
447.09250	10.8
448.09766	0.8
475.09445	0.9
479.09637	1.1
491.09613	3.7
509.10666	4.0
510.11154	0.8
637.32587	1.6
655.16309	1.5
655.34607	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	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66189	0.4
55.01762	1.2
57.03333	1.1
58.00473	2.0
59.01255	44.8
61.98706	0.4
68.99692	0.5
69.03326	2.7
71.01257	38.6
72.99183	2.9
73.02819	6.3
75.00748	0.8
81.03323	2.1
83.01260	4.5
85.02830	8.9
85.99994	0.5
87.00758	8.6
87.01273	0.6
89.02322	33.1
91.03909	0.9
93.03353	0.5
95.01260	2.6
97.02835	6.0
99.00756	2.1
99.04410	0.5
101.02328	31.4
103.00282	0.4
109.02863	0.5
111.00754	0.6
111.04417	1.0
113.02338	15.7
115.03916	0.6
119.03399	10.6
121.02836	0.6
125.02345	13.3
127.03948	0.6
131.03401	2.0
133.04980	1.1
139.03951	0.6
141.01823	0.4
143.03415	6.6
149.04477	1.2
160.07347	0.4
161.04466	8.1
167.03386	1.0
169.04944	0.7
171.02922	0.4
179.05551	6.1
181.05013	0.4
185.04515	0.8
199.06100	0.7
203.05658	0.5
217.07162	1.3
219.05049	0.5
220.01097	0.3
221.06609	2.3
235.08211	13.8
245.06555	0.4
253.09267	4.0
255.23277	100.0
256.23621	8.5
263.07727	1.5
269.24811	1.0
277.09299	1.4
287.07748	3.3
305.08786	3.7
306.09204	0.4
323.09818	2.1
361.11172	0.5
370.00046	0.3
379.12506	1.2
383.09238	0.3
397.13504	79.0
398.13834	6.2
415.14575	30.5
416.14767	2.2
504.96072	0.3
632.50873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	3.0
59.01252	27.1
61.98703	14.6
63.02279	3.3
65.00189	11.2
69.03336	3.6
71.01252	19.8
71.58006	3.6
72.99194	6.2
73.02817	4.2
75.00748	5.8
78.95763	2.6
83.01276	9.2
85.02824	12.1
86.02316	2.0
87.00764	6.8
89.02312	11.5
93.03340	2.0
93.67571	1.9
97.02842	2.9
99.00763	5.4
101.02306	9.3
107.01273	13.8
109.02846	2.6
111.04413	2.6
113.02314	11.6
119.03434	2.2
119.04933	5.8
121.02841	6.2
123.04507	2.3
124.01514	2.2
125.02356	7.8
133.02847	4.8
133.04909	2.5
134.03609	3.5
135.04414	22.1
137.02377	3.9
140.86151	2.0
145.02907	5.7
147.00841	2.3
148.01596	2.6
148.34291	1.8
148.47636	2.0
149.02354	10.9
151.00282	53.4
152.01022	3.4
157.02908	2.0
161.02342	8.6
161.04463	2.2
163.03992	2.9
164.04695	4.0
169.01360	5.4
171.04514	3.1
171.10185	2.3
174.01685	2.9
175.03897	4.3
177.01915	2.6
178.99779	7.9
179.03355	2.7
181.08615	34.7
183.04434	3.2
187.03941	3.4
190.02597	4.3
191.05624	3.2
193.04868	2.9
194.05849	2.0
199.03958	7.8
205.05161	4.6
209.11781	36.5
211.03992	4.2
211.13339	3.2
213.02025	2.0
215.03447	3.9
223.06155	4.0
227.03430	9.7
227.12842	5.1
241.01447	4.4
243.03001	17.7
245.00850	3.3
253.09346	2.8
255.02989	100.0
256.03500	11.2
269.04480	3.4
270.01645	5.9
271.02496	49.4
272.02969	6.5
273.03421	2.5
283.02487	78.1
284.03201	38.8
285.04044	58.3
286.04370	7.0
287.05582	9.8
296.03259	3.3
297.04114	4.2
298.01224	4.3
299.01978	94.9
300.02682	65.2
301.03485	54.4
302.03708	2.6
313.03580	5.3
315.04813	2.1
316.05307	2.3
327.12204	4.4
367.10519	4.6
429.48468	2.4
431.15256	3.3
445.07733	27.4
446.08530	91.6
447.09207	62.2
448.09787	4.2
449.16306	4.8
475.10370	5.8
475.27075	3.5
479.09677	3.4
487.12915	2.4
491.09732	3.4
493.11383	2.0
509.10941	17.7
529.14459	3.8
637.17096	3.1
655.15491	21.1
655.32788	6.7
656.16577	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42970	0.3
55.01760	1.1
57.03329	1.3
58.00464	2.0
59.01255	42.1
60.01595	0.6
61.98704	0.4
62.06190	0.3
69.03327	2.8
70.34962	0.8
70.35367	0.4
70.97513	0.4
71.01257	36.2
71.84701	0.3
72.01598	0.6
72.99189	3.1
73.02822	6.2
75.00762	0.5
78.66132	0.3
81.03336	1.9
83.01267	4.0
83.04932	0.3
85.02825	7.8
85.98583	0.3
87.00759	8.3
89.02322	33.2
91.03913	0.5
92.47775	0.3
95.01263	3.0
97.02840	5.7
98.19903	0.4
99.00756	2.6
99.04415	0.4
101.02328	31.5
102.02653	0.5
107.91273	0.3
109.02841	1.0
111.00768	0.5
111.04430	0.9
113.02336	15.6
115.03920	0.8
118.18723	0.3
119.03391	9.7
119.54562	0.3
121.02896	0.5
124.01595	0.4
125.02350	12.3
127.03931	0.4
131.03395	1.8
133.04967	0.7
137.02325	0.6
139.03920	0.7
141.01826	0.4
143.03418	5.9
148.39322	0.3
148.65378	0.3
149.04405	1.5
152.99518	0.6
161.04489	6.5
167.03394	0.7
169.04930	0.5
171.02959	0.5
179.05539	6.3
185.04440	0.7
186.70691	0.4
199.06046	0.6
203.05510	0.5
217.07135	1.4
219.05179	0.4
221.06636	2.8
235.08206	13.4
237.25230	0.3
245.06580	1.0
253.09276	3.2
255.23282	100.0
256.23657	7.2
261.16843	0.4
263.07800	1.7
269.24854	0.9
277.09277	0.9
281.08817	0.4
287.07706	3.4
305.08749	3.6
323.09857	1.1
361.11340	0.7
379.12375	1.1
397.13510	71.3
398.13831	5.9
415.14581	26.8
415.19083	0.4
416.14850	2.2
525.79895	0.4
653.37775	0.4
671.92749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.4
57.03311	1.1
58.00460	1.4
59.01254	30.2
60.64518	0.4
61.98695	0.6
67.01780	0.6
68.99668	0.7
69.03344	2.8
70.74426	0.6
71.01257	34.1
72.01603	0.6
72.99187	2.6
73.02821	6.3
75.00750	2.5
78.95782	1.1
81.03347	2.2
83.01262	4.2
85.02827	10.4
87.00756	17.8
87.04381	0.9
89.02319	24.0
91.03885	0.7
91.54465	0.5
95.01263	2.4
97.02841	7.1
99.00770	2.4
99.04372	0.9
101.02328	33.4
102.02676	0.6
109.02843	0.9
111.00782	0.6
111.04410	0.6
113.02335	19.5
114.02670	0.8
115.03921	0.9
119.03400	6.7
120.03663	0.5
123.00725	0.6
123.04375	0.6
124.01528	1.2
125.02346	16.7
127.03887	0.6
131.03391	1.4
139.03873	0.6
141.01797	0.7
143.03413	9.0
149.02419	0.4
149.04393	0.5
151.03918	0.8
161.04462	8.5
164.07053	0.7
167.03331	0.6
171.02824	0.9
178.33592	0.5
179.03307	0.5
179.05553	5.8
197.11996	0.5
203.05522	1.6
209.11748	1.3
217.07182	0.9
219.05051	0.6
221.06628	2.1
235.08226	15.4
236.08447	1.0
245.06570	0.5
253.09279	9.9
254.09579	0.5
255.23289	100.0
256.23608	7.2
263.07693	1.2
269.24896	3.2
270.25406	0.6
287.07809	4.4
297.24231	0.6
305.08905	3.7
323.09866	2.8
371.04694	0.5
379.28467	1.5
397.13528	43.4
398.14020	3.1
415.14590	40.4
416.15070	2.8
456.15634	0.7
521.40033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12719	0.3
62.96268	0.4
67.39415	0.3
78.95779	100.0
86.39350	0.2
96.96838	0.9
98.20513	0.5
109.62709	0.3
122.95208	0.3
149.00017	4.2
152.99451	2.2
169.91248	0.3
171.10133	0.6
179.00969	0.4
182.46753	0.3
205.15936	2.4
225.11000	0.3
255.23256	3.5
285.12643	3.3
287.23856	0.3
289.20172	0.3
355.16840	2.5
385.18164	1.3
385.22229	0.3
391.22574	0.7
409.23669	0.4
447.13492	5.0
448.13297	0.5
653.30096	46.6
654.30469	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	653.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.0
57.03318	4.0
59.01255	19.4
61.98698	1.5
68.99694	1.0
69.03318	1.3
69.34563	9.0
71.01261	21.5
72.99192	5.4
73.02828	2.6
75.00748	15.8
78.95786	22.9
80.96345	1.0
81.03317	1.4
83.01273	2.5
83.04897	3.2
85.02833	22.9
87.00762	7.3
87.52287	0.8
87.96717	0.9
89.02321	4.7
93.03349	1.1
95.01277	4.5
96.96830	3.1
97.02811	1.8
97.06468	1.7
99.00762	13.1
101.02314	3.0
103.00237	2.3
109.06487	2.2
111.00740	1.7
111.08051	3.0
112.98678	2.5
113.02346	22.9
115.00298	2.4
117.01826	3.0
119.04888	1.5
121.02843	2.6
123.08050	1.7
125.09622	5.1
129.01871	1.4
137.09685	1.0
145.81125	1.0
152.99492	4.7
157.01329	1.8
161.04497	1.2
163.11115	1.1
171.00533	3.4
171.10182	16.0
172.10562	1.3
174.01633	5.1
175.02425	5.1
185.11743	1.7
193.03465	1.5
205.15973	1.4
207.10168	1.1
209.11797	5.0
211.13347	8.5
215.14323	1.1
223.13339	2.3
225.11273	1.9
225.46732	0.9
233.15457	6.6
249.06108	2.3
249.14964	4.8
255.06572	2.8
263.12778	1.2
359.25775	1.3
385.23849	5.6
399.21719	1.4
403.24963	6.5
417.22983	1.2
421.25858	3.2
458.32681	1.0
531.14911	2.5
591.31659	2.2
592.12903	0.9
593.29230	1.3
609.32898	2.7
635.30908	7.0
653.31793	100.0
654.32153	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	653.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50182	2.0
55.01749	2.8
57.03335	2.4
58.00473	2.4
59.00953	3.3
59.01253	68.7
59.05025	1.4
65.30262	1.7
69.80074	10.4
71.01255	58.1
72.99190	4.0
73.02824	16.5
75.00733	2.8
81.03357	3.2
83.01283	3.8
85.02828	17.9
87.00759	5.6
89.02324	33.9
99.00761	18.6
101.02328	28.8
103.03899	5.9
108.02031	2.4
109.02839	8.4
113.02331	14.4
119.03376	11.2
119.04867	1.5
121.02841	7.4
121.10130	7.0
123.00736	3.0
123.04337	1.9
125.11499	1.7
127.03922	2.2
131.03448	3.0
134.83943	1.7
143.03418	7.0
145.04951	1.8
147.04405	2.6
149.02354	3.3
150.03188	7.9
153.01843	11.1
158.03658	3.3
159.04410	12.5
160.05217	37.6
161.04465	7.7
161.05998	12.1
163.03923	6.4
163.06075	3.4
163.74382	1.7
164.04710	7.9
165.09167	6.9
173.06006	4.3
175.07571	32.1
176.04793	2.0
177.05573	9.6
178.06235	11.6
179.05510	16.0
191.05542	4.7
193.08662	4.8
232.87123	1.8
245.73999	1.7
255.03024	2.9
267.23792	1.8
271.02478	6.7
272.02893	3.9
273.03146	3.7
293.08765	3.6
300.02713	13.2
301.03186	9.3
302.03278	7.4
309.07837	2.7
310.08057	2.6
311.08392	3.7
315.07248	4.3
315.12347	5.4
323.09686	3.1
324.10175	2.4
325.10596	2.0
327.12418	5.1
328.12857	4.4
329.13971	100.0
329.16580	33.1
330.13708	9.5
339.12463	4.7
340.12775	5.5
341.10751	86.2
342.11261	5.6
359.14984	23.8
371.17157	5.1
381.44263	1.8
431.19208	3.0
461.07004	2.1
463.09070	2.3
489.19800	2.5
491.12299	4.0
521.09521	2.0
521.20251	2.5
653.15869	5.3
653.24835	60.3
654.15839	2.5
654.24792	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50182	2.0
55.01749	2.8
57.03335	2.4
58.00473	2.4
59.00953	3.3
59.01253	68.7
59.05025	1.4
65.30262	1.7
69.80074	10.4
71.01255	58.1
72.99190	4.0
73.02824	16.5
75.00733	2.8
81.03357	3.2
83.01283	3.8
85.02828	17.9
87.00759	5.6
89.02324	33.9
99.00761	18.6
101.02328	28.8
103.03899	5.9
108.02031	2.4
109.02839	8.4
113.02331	14.4
119.03376	11.2
119.04867	1.5
121.02841	7.4
121.10130	7.0
123.00736	3.0
123.04337	1.9
125.11499	1.7
127.03922	2.2
131.03448	3.0
134.83943	1.7
143.03418	7.0
145.04951	1.8
147.04405	2.6
149.02354	3.3
150.03188	7.9
153.01843	11.1
158.03658	3.3
159.04410	12.5
160.05217	37.6
161.04465	7.7
161.05998	12.1
163.03923	6.4
163.06075	3.4
163.74382	1.7
164.04710	7.9
165.09167	6.9
173.06006	4.3
175.07571	32.1
176.04793	2.0
177.05573	9.6
178.06235	11.6
179.05510	16.0
191.05542	4.7
193.08662	4.8
232.87123	1.8
245.73999	1.7
255.03024	2.9
267.23792	1.8
271.02478	6.7
272.02893	3.9
273.03146	3.7
293.08765	3.6
300.02713	13.2
301.03186	9.3
302.03278	7.4
309.07837	2.7
310.08057	2.6
311.08392	3.7
315.07248	4.3
315.12347	5.4
323.09686	3.1
324.10175	2.4
325.10596	2.0
327.12418	5.1
328.12857	4.4
329.13971	100.0
329.16580	33.1
330.13708	9.5
339.12463	4.7
340.12775	5.5
341.10751	86.2
342.11261	5.6
359.14984	23.8
371.17157	5.1
381.44263	1.8
431.19208	3.0
461.07004	2.1
463.09070	2.3
489.19800	2.5
491.12299	4.0
521.09521	2.0
521.20251	2.5
653.15869	5.3
653.24835	60.3
654.15839	2.5
654.24792	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80782	1.3
57.03336	2.0
58.00455	1.5
59.01255	18.9
63.78352	1.3
69.49801	2.5
69.50215	8.8
71.01258	21.5
73.02811	7.0
73.47266	1.7
75.00742	1.3
83.01279	2.6
85.02828	7.3
87.00754	2.5
89.02324	8.8
93.03328	1.2
94.74076	1.1
95.01276	2.2
98.19839	2.2
99.00760	14.5
101.02331	10.7
108.02064	3.0
109.02850	3.6
113.02306	7.7
121.02833	6.4
122.03617	2.7
122.32208	1.3
123.00774	1.5
123.04353	1.9
123.78942	1.2
131.03343	1.6
134.03593	1.7
136.01544	1.4
136.05222	2.4
137.02382	1.7
143.03415	1.4
143.04947	1.4
143.35362	1.4
146.03729	1.8
147.04460	4.0
148.05205	1.5
149.02406	1.6
149.05971	1.4
150.03151	8.6
158.03670	4.9
159.04436	17.5
160.05209	53.3
161.04523	2.9
161.05988	17.3
163.03900	10.1
164.04710	7.5
165.05533	2.8
173.05978	8.2
175.07571	38.7
175.09018	2.5
176.04755	1.7
176.07870	1.8
177.05493	10.7
178.06316	11.5
179.05479	2.2
191.05511	2.4
192.07918	2.5
193.08640	4.2
271.02524	1.5
287.84421	1.4
296.10938	1.6
299.12827	6.0
300.02621	1.4
311.12903	4.9
314.11664	2.7
315.12424	3.4
329.13873	83.6
330.14282	8.2
341.10651	6.7
359.15018	2.3
491.20218	4.0
593.21362	1.5
605.22473	3.5
623.23474	100.0
624.23810	19.7
653.24554	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	653.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15530	0.3
56.09147	0.3
57.98239	0.3
59.01256	3.3
62.90073	0.3
65.35871	0.3
71.01244	2.4
72.99169	0.7
73.02820	0.8
75.00768	0.4
75.66261	0.4
83.01244	0.4
85.02835	1.0
87.00766	0.4
89.02328	1.2
93.03333	1.4
99.00752	0.7
101.02338	1.1
103.03912	0.8
109.02897	0.5
109.42509	0.3
113.02334	1.0
119.04919	100.0
119.24863	0.3
120.05252	4.2
134.03682	0.4
141.97156	0.3
145.02866	0.4
149.02361	1.0
151.13892	0.3
152.01031	0.4
163.03925	72.0
164.04272	3.4
193.05045	0.7
205.04709	0.4
223.06042	1.3
229.33546	0.4
243.06715	0.5
249.06334	0.4
311.15591	0.3
315.14517	0.7
317.04074	0.3
325.09341	0.8
327.14664	1.5
445.68130	0.3
453.70999	0.4
453.87708	0.3
459.18842	0.5
471.18088	0.6
479.09778	0.4
579.85095	0.4
623.23462	5.1
624.24078	1.2
635.23389	6.5
636.23877	1.5
653.24573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01660	1.2
55.01898	0.6
57.03225	1.1
57.03485	0.6
58.00393	0.8
59.01130	15.5
59.01466	6.5
69.07249	0.5
71.01116	19.5
71.01561	5.2
71.58069	1.0
72.99044	1.8
73.02683	6.2
73.03133	1.5
75.00639	0.9
76.14853	0.5
83.01106	2.4
85.02682	5.6
85.03230	1.0
87.00603	2.3
89.02161	12.1
89.02754	2.0
91.31736	0.5
93.03245	0.6
95.01151	1.1
99.00590	14.1
99.01307	2.0
101.02150	12.3
101.02895	1.5
103.03730	1.5
103.04344	0.7
108.01933	0.9
109.02660	3.2
110.59322	0.5
113.02151	7.7
113.02996	0.9
119.03218	2.9
121.02649	4.4
121.09909	2.4
121.10706	0.9
122.03401	1.6
123.00650	0.8
123.04270	0.8
124.01374	0.8
125.02251	0.8
131.03210	1.6
136.05008	1.3
137.02226	1.1
137.05841	0.8
143.03378	2.8
145.02635	0.6
147.04222	2.4
149.02321	2.5
149.03183	0.7
150.02913	6.5
151.03674	0.8
153.01630	5.5
158.03436	2.3
159.04431	9.3
160.04984	28.0
161.04262	3.2
161.05730	8.9
163.03918	6.4
163.05884	0.7
164.04448	4.9
165.08942	1.6
173.05960	3.8
175.07570	26.0
176.04544	0.7
176.07713	1.5
176.40710	0.6
177.05501	7.2
178.06288	9.2
179.05289	4.3
179.06906	1.0
191.05534	3.5
191.06943	1.0
192.07553	1.5
193.04869	0.6
193.08626	3.4
255.02821	1.3
256.03278	1.3
271.02466	3.5
272.02512	2.4
272.53189	0.6
273.02817	0.8
281.08203	0.6
293.08472	2.3
293.11313	0.6
297.07547	1.1
298.07809	0.8
299.07925	0.9
300.02765	4.9
301.03149	3.9
302.03409	3.2
309.07797	1.2
310.07770	1.6
311.07977	1.5
312.09842	1.1
313.10245	1.1
314.10953	1.1
315.07013	2.3
315.12381	2.8
323.09412	1.5
324.09848	1.6
325.10223	1.6
326.10501	1.0
327.12201	2.6
328.12445	2.4
329.13696	100.0
330.14093	9.9
339.12360	3.7
340.09192	0.5
340.12744	4.3
341.10660	20.1
342.10953	1.7
345.13470	0.7
359.15024	13.7
360.15317	1.2
371.16891	1.9
371.86292	0.6
392.49121	0.6
413.60025	0.5
431.19009	0.6
463.08929	0.8
489.18225	0.7
491.11768	1.5
521.20374	2.0
617.19305	0.7
621.15643	0.8
623.22656	0.6
635.22693	1.2
653.24689	43.6
654.15417	1.0
654.24872	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	653.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
55.95634	0.8
57.03315	1.3
58.91980	0.8
59.01254	12.2
64.32947	0.9
69.30801	1.3
69.31203	7.2
71.01252	9.4
72.99173	2.4
73.02840	1.9
74.83131	0.7
75.00747	5.2
78.95766	1.4
83.01258	1.2
83.68641	0.7
85.02821	7.0
86.04278	0.7
87.00745	3.4
89.02310	3.3
91.01765	11.7
93.03360	0.8
95.01285	1.4
96.95859	1.1
98.19649	1.3
99.00758	2.1
101.02340	3.1
107.01274	0.9
108.02047	14.1
108.23562	0.7
109.02862	5.3
113.02319	6.4
114.38744	0.8
115.00235	1.6
116.92745	2.4
117.03385	0.8
119.03397	0.9
119.04903	8.0
121.02841	1.5
123.00766	4.1
123.91707	0.7
134.03651	1.7
135.00793	12.2
137.02364	4.0
145.02837	2.9
145.04930	0.8
150.03091	0.9
151.00310	0.8
152.01064	14.9
153.01852	4.9
163.03979	5.3
174.01605	1.1
175.02400	2.4
175.03893	1.5
178.02567	1.4
191.05539	1.0
193.05006	3.2
197.05933	1.1
211.13336	3.4
213.05489	1.2
215.07106	1.0
243.06599	100.0
244.06926	8.3
253.09273	1.1
258.79950	0.9
283.98999	0.9
297.06177	1.5
300.02689	0.8
301.03214	0.8
314.21158	1.0
339.07175	0.9
371.00882	0.8
373.24899	1.2
405.11880	33.1
406.12057	4.0
417.15622	0.9
447.12854	1.2
447.21948	0.8
461.16013	0.8
461.84604	0.8
582.74725	1.0
593.31500	1.1
605.23541	1.0
609.27557	12.6
610.27893	1.8
653.33038	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	653.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.2
58.00478	1.9
59.01257	30.0
71.01261	28.3
71.58177	2.1
72.99174	5.8
73.02823	2.2
75.00751	13.6
76.63939	1.0
81.03339	1.2
83.01264	2.1
84.49706	0.9
85.02832	16.8
87.00769	5.5
89.02320	13.2
95.01263	4.0
99.00758	7.9
99.04337	1.1
101.02314	6.1
103.00243	1.7
109.02835	2.4
113.02341	20.6
113.26104	1.0
115.00279	2.4
117.01807	1.9
119.03413	2.0
129.01831	2.1
131.07030	1.7
133.10098	0.9
134.03641	2.6
135.11725	5.4
149.04291	1.0
149.05954	1.2
153.01869	5.5
157.01315	2.3
161.04477	1.2
161.09644	2.2
175.02316	2.6
179.03401	1.4
179.05499	2.1
179.10704	18.2
191.05588	1.8
193.04959	2.0
196.97003	1.0
209.04579	1.2
223.09682	3.1
231.05011	2.6
249.06139	18.8
267.07214	12.8
297.06213	2.7
297.13559	1.0
329.16010	1.3
341.10947	3.3
345.63901	0.9
429.17679	13.4
430.17914	1.2
461.20383	1.8
473.16626	44.9
474.16916	4.4
475.54919	1.2
491.12091	7.8
491.18246	1.6
492.12320	2.2
540.91827	1.0
635.22565	1.5
653.23029	100.0
654.23553	15.3
667.59985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	10.8
63.02277	1.5
65.00202	1.5
71.01256	7.2
71.37743	1.4
72.99178	2.5
73.02813	2.9
75.00748	2.1
78.95779	1.6
82.61144	0.7
83.01264	1.7
85.02824	3.9
87.00738	1.4
89.02325	4.1
93.03343	1.2
96.95911	0.9
99.00778	2.1
101.02331	3.1
107.01287	3.0
109.02850	0.8
113.02319	3.4
114.32481	0.8
116.92735	1.6
117.03339	1.7
119.01241	1.1
119.03435	1.3
119.04937	3.9
121.02872	1.7
123.04402	0.9
125.02309	1.4
132.02031	0.9
133.02850	7.4
134.03629	2.3
135.04424	1.7
137.02365	1.4
139.00157	0.6
145.02856	4.6
148.01544	1.2
149.02315	3.9
149.05962	0.9
150.03122	2.4
151.00262	5.5
151.03954	0.8
152.00998	0.9
153.01816	1.2
160.01631	1.0
161.02306	1.2
161.04541	0.7
163.03931	2.6
165.05458	0.8
174.01671	1.7
175.00351	3.9
175.02477	1.4
175.03801	4.1
176.01086	5.6
179.03415	0.9
190.02641	7.7
191.03458	6.3
191.05251	1.1
193.04987	1.6
197.09706	0.9
199.03932	2.4
201.02008	0.9
205.05075	4.8
209.04506	1.4
211.13397	0.9
217.05028	2.4
223.06064	1.0
227.03345	1.0
241.04802	0.8
243.02950	1.1
251.05667	1.0
255.02971	1.9
255.15898	1.6
256.03827	2.7
271.02557	3.6
283.02563	1.2
284.03284	29.0
285.04050	100.0
286.04401	7.4
299.02026	8.7
299.05624	16.4
300.02713	0.9
300.06180	1.3
301.03540	0.8
329.13687	1.1
353.08777	9.6
354.09293	0.8
389.96954	0.7
447.09158	2.3
535.31091	2.0
652.31921	1.0
653.15161	43.7
653.33026	5.5
654.15259	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	653.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.4
57.03307	1.6
59.01255	11.7
61.98710	6.0
65.00198	1.4
71.01264	10.3
71.57642	0.9
71.58046	1.3
72.99190	2.2
73.02819	2.6
78.95782	1.5
81.03355	1.0
82.70917	0.8
83.01267	3.0
85.02838	4.4
87.00757	3.4
88.98671	2.2
89.02316	4.1
93.03342	2.3
95.01266	1.0
96.95874	1.5
97.02845	1.0
99.00773	3.2
101.02334	4.3
104.12145	1.0
105.08082	0.8
107.01293	1.7
108.02090	1.9
109.02865	2.1
111.00766	1.1
113.02357	4.8
116.92764	1.4
119.04905	2.6
121.02851	1.1
122.96434	1.1
125.02335	1.4
125.09633	2.5
132.00859	0.8
132.02055	3.2
133.02847	3.4
134.03633	6.5
135.04425	2.5
136.01514	1.2
137.02295	2.4
139.03798	1.1
147.04411	1.6
149.02362	1.9
149.05986	1.6
150.03157	1.7
151.00319	3.3
151.03885	1.8
152.99495	1.6
159.04372	2.0
160.01599	9.7
160.05219	3.1
161.02383	8.1
161.05862	0.9
163.00240	1.0
163.03920	2.7
165.05405	2.4
171.04434	2.1
174.01579	1.5
175.02504	1.9
175.03928	10.0
175.07578	2.6
176.04590	1.7
177.05536	1.8
178.02556	1.7
179.03380	3.1
181.08601	5.7
185.11656	1.1
187.03857	1.3
190.02696	1.5
191.03439	1.1
191.07033	1.6
193.04968	4.6
199.03934	5.8
201.01839	1.3
201.11440	0.9
203.03413	1.2
205.04990	1.6
209.11766	1.4
215.03485	2.7
216.03973	1.2
221.04465	1.3
226.02570	4.5
227.03427	6.4
235.06059	2.3
243.02953	16.2
244.03514	1.2
254.02214	4.9
255.02954	12.0
271.02487	99.7
272.02966	8.3
285.04004	2.2
287.22272	1.2
299.01968	66.3
300.02734	81.1
301.03189	7.7
306.07703	2.0
313.03683	1.6
314.04282	5.3
315.05109	100.0
316.05579	5.7
323.07742	21.1
324.08084	1.3
328.56641	1.0
329.06656	13.8
329.13766	7.2
337.09174	3.4
356.67648	1.1
449.27707	1.6
459.09326	1.0
477.10345	5.7
479.16830	1.0
491.28506	3.5
591.17310	2.4
591.27264	1.4
609.19855	1.8
609.30688	1.1
635.30438	1.0
638.12885	9.9
639.13080	1.7
652.31671	2.4
653.15118	61.1
653.24310	3.5
653.32642	6.0
654.15411	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	653.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24050	0.6
59.01270	4.5
63.02263	2.4
65.00208	4.8
71.01251	3.8
71.37572	1.6
73.97701	0.7
83.01259	3.9
85.02826	1.3
87.00705	0.9
89.02303	1.1
93.03309	1.8
96.95995	0.6
99.00762	1.0
101.02316	2.1
102.02642	0.7
107.01279	8.1
108.02084	1.5
109.02866	5.2
113.02316	0.8
113.82269	0.8
119.01254	1.3
121.02857	9.8
125.02376	0.8
147.04460	1.0
148.01567	1.7
149.02362	13.8
151.00287	27.4
152.00812	0.9
153.01855	0.9
159.04414	1.0
161.05870	0.6
163.00290	7.1
164.00949	0.9
164.04723	8.3
167.04994	1.0
169.01326	3.2
171.04465	1.5
171.10188	1.2
175.03911	1.4
178.99803	13.4
180.00163	0.8
183.04466	1.9
185.05948	1.1
187.03954	1.8
190.02625	1.6
192.00665	1.0
199.03937	2.7
201.01903	1.5
201.05510	1.6
203.03493	0.7
205.04958	0.8
211.03946	3.2
215.03448	1.9
221.99570	0.7
223.04024	1.0
223.06073	7.5
226.02708	1.4
227.03514	6.6
229.05014	2.4
239.03496	1.1
240.04408	0.9
241.42427	0.7
243.02959	12.2
244.03413	1.2
245.04527	4.7
254.02216	3.1
255.02995	26.8
256.03415	2.6
257.04419	0.8
271.02484	63.7
272.02881	5.7
273.04083	2.7
283.02505	3.2
284.03079	0.7
290.16550	0.7
299.01981	17.7
300.02750	89.6
301.03522	100.0
302.03952	6.4
314.04272	0.9
315.05087	10.9
316.05478	1.2
337.09448	0.7
429.08160	4.4
430.08557	0.8
447.09500	7.4
448.09604	1.0
497.41620	0.8
653.15192	34.2
653.32086	2.8
654.15082	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	653.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49379	0.2
52.07104	0.2
53.72461	0.2
57.03315	0.3
59.01254	1.7
61.98694	0.4
71.01269	1.1
71.35065	0.3
72.99187	0.5
73.02852	0.4
78.95778	0.3
79.61935	0.3
83.01260	0.5
85.02808	0.7
87.00751	0.3
88.98670	0.6
89.02299	0.8
99.00719	0.3
101.02351	0.6
107.01276	0.5
108.02044	0.8
113.02332	0.7
125.02319	0.5
127.00289	0.2
132.02029	0.5
134.03612	1.0
135.00813	0.4
135.04420	0.3
137.02368	0.4
148.01569	0.9
151.00256	0.9
152.01088	0.3
153.01874	0.3
160.01578	1.7
161.02240	0.3
163.00349	0.5
164.01060	0.6
174.01637	0.3
175.02544	0.3
175.03940	1.0
193.05014	0.4
211.13333	0.4
216.04198	0.3
226.02621	0.6
227.03464	1.2
243.02985	5.8
244.03532	0.4
254.02206	1.0
255.02982	16.9
256.03305	0.8
271.02496	35.6
272.02957	3.1
299.02042	2.2
300.02774	83.4
301.03116	5.9
314.04416	0.8
315.05130	100.0
316.05487	8.3
316.08423	0.2
329.06570	0.9
459.09552	0.4
470.45615	0.3
477.10373	0.8
532.77930	0.3
653.15076	2.3
653.32385	1.2
654.15326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48450	3.7
71.48769	4.2
78.95782	99.5
96.96834	10.5
107.37536	2.9
116.71141	2.9
139.86334	2.9
152.99504	63.7
160.44574	3.1
201.66692	2.9
209.11789	35.4
227.12775	5.6
255.23285	100.0
256.23517	5.2
277.21744	5.9
292.91318	2.9
304.28314	3.3
363.12216	8.0
391.22498	19.0
395.14645	9.6
409.23593	10.9
619.36224	44.9
620.36652	8.6
651.38855	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	652.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.9
59.76551	0.3
61.98696	1.3
71.01250	1.9
71.57885	0.5
75.00735	0.4
78.95782	100.0
83.01302	0.4
85.02836	1.1
87.00768	0.6
89.02322	0.8
93.03261	0.3
96.96851	10.0
99.00724	0.6
101.02326	0.8
112.56202	0.4
112.98710	0.6
113.02313	0.6
116.61520	0.4
122.19794	0.3
122.98445	1.1
127.11255	0.5
140.01042	0.6
142.99796	0.5
152.99506	17.0
153.00763	0.8
161.04730	0.4
167.14342	1.3
168.13861	1.9
171.00572	18.8
171.10236	0.6
172.00912	0.4
174.01620	1.7
175.02342	0.5
182.27591	0.4
194.05788	0.8
201.02682	0.4
201.93622	0.4
207.10387	0.4
209.11842	0.7
211.13397	2.6
223.13341	0.9
229.14442	2.7
241.18085	1.6
243.29962	0.4
250.61887	0.4
258.96332	0.4
268.09601	3.3
282.20837	0.6
314.04568	0.4
366.16861	1.5
371.09445	0.4
503.53146	0.4
528.60297	0.4
554.27551	0.5
578.31165	1.3
635.29980	0.5
652.34753	52.3
653.35193	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	651.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.6
57.03312	0.7
59.01254	12.7
59.66553	0.6
61.33814	0.5
71.01255	14.3
72.99178	0.7
73.02821	6.3
74.10368	0.6
75.00739	1.5
79.74860	0.6
81.03344	0.6
83.01263	1.7
84.02067	0.7
85.02827	4.1
87.00748	1.6
89.02321	5.0
95.01295	1.4
96.95904	0.6
97.02841	1.1
99.00762	16.9
101.02327	8.7
108.02052	1.3
109.02848	1.8
113.02312	5.9
116.92767	0.9
118.29151	0.6
119.04923	0.9
121.02857	3.9
122.03616	2.7
123.00793	0.7
124.01532	0.7
125.02422	0.7
131.03369	1.4
134.03648	1.5
135.02827	0.8
135.04419	1.2
136.01566	98.9
137.02409	4.1
143.03409	1.5
151.03918	100.0
152.04272	3.1
159.04387	1.3
160.05225	1.4
161.04480	3.1
162.03085	1.6
163.03918	2.2
175.02501	0.6
175.03900	1.9
175.07509	1.4
176.04695	2.5
177.05484	1.4
179.03429	1.3
183.04535	0.6
188.04724	1.0
189.05569	1.3
190.06282	0.7
191.05522	3.8
191.07109	2.8
255.02864	0.7
262.92072	0.7
271.02493	1.7
293.08752	2.7
300.02774	2.6
301.03589	1.7
312.10068	0.7
327.09171	0.7
327.12433	6.0
328.12756	1.1
339.12360	5.7
340.12888	0.7
342.11029	5.9
343.11890	2.7
345.07828	0.7
357.13434	77.9
358.13788	7.2
369.13461	2.1
487.15771	1.1
505.09818	1.2
519.18829	0.7
621.21948	2.4
633.21899	4.2
634.22858	1.1
651.22961	40.0
652.23267	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	651.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.5
57.03308	1.2
58.00472	1.4
59.01257	37.7
59.66888	0.4
61.98708	0.5
66.97295	0.4
67.80978	0.4
69.03329	2.0
71.01261	36.9
71.57521	0.4
72.01615	0.5
72.99195	3.5
73.02831	5.2
74.87236	0.4
75.00752	0.9
78.95779	1.0
80.95473	0.4
81.03340	1.5
83.01268	4.5
85.02831	7.8
85.99959	0.4
87.00750	8.3
87.04390	0.5
87.10627	0.4
89.02324	31.5
89.46430	0.4
93.03299	0.5
95.01286	2.2
97.02847	5.5
99.00754	2.3
99.04407	0.7
100.21652	0.4
101.02335	28.9
103.03899	0.5
106.61782	0.4
107.30906	0.4
109.02830	1.0
109.35541	0.4
111.04401	1.0
113.02338	12.9
115.03868	0.6
119.03400	10.5
121.02836	0.4
125.02349	13.0
126.02614	0.4
127.03932	0.6
131.03401	1.6
133.04979	1.0
139.03882	0.7
143.03424	5.3
149.04480	1.0
161.04495	5.9
167.03439	1.1
171.02928	0.7
175.63498	0.5
179.05548	6.1
185.04495	0.7
192.37308	0.4
203.05553	0.8
217.07181	1.3
221.06709	2.1
223.38223	0.4
235.08217	13.6
236.08563	0.6
245.06601	0.9
253.09375	3.6
253.21732	100.0
254.22044	6.7
263.07724	1.5
263.95389	0.4
267.23334	0.4
273.01190	0.5
277.09363	1.3
277.21802	0.6
287.07825	3.7
305.08795	3.6
323.09927	2.0
379.12451	1.0
397.13531	70.9
398.13834	4.9
415.14600	29.9
416.14813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
59.01250	7.3
70.22305	1.2
70.22685	1.2
71.01256	9.3
73.02813	4.6
79.55923	0.6
83.01246	1.8
85.02830	2.3
89.02319	5.6
93.41350	0.6
97.78997	0.6
99.00755	12.0
100.40324	0.6
101.02333	7.2
107.01252	0.7
107.09125	0.5
108.02067	1.7
109.02808	1.1
113.02338	5.0
117.34192	0.6
117.92712	0.5
119.23746	0.6
121.02859	5.1
123.04416	1.1
125.02280	0.8
131.03401	0.9
132.02550	0.7
135.04405	1.3
136.01581	0.9
143.03423	1.9
145.02834	1.4
147.04289	0.7
150.03291	0.6
151.00275	1.5
158.03642	0.6
159.04468	1.1
161.04460	2.6
163.03914	2.2
165.84779	0.6
175.03923	6.5
188.04770	1.1
190.06276	3.0
191.05530	4.4
200.66258	0.6
203.07043	3.1
205.08665	2.9
221.05992	0.7
222.05247	2.9
223.07645	1.2
226.02765	0.8
227.03560	1.0
235.07539	2.0
237.09253	0.6
239.07008	1.9
243.03029	3.2
250.06357	0.8
251.07054	2.2
253.08684	2.4
254.05693	1.0
255.02982	8.6
261.05499	1.3
262.06287	1.4
263.07086	4.6
264.07614	1.1
265.08615	1.2
267.06583	2.8
268.07339	1.9
268.10992	1.3
269.08148	4.8
271.02496	17.9
272.02905	1.6
275.07083	0.9
278.09589	1.1
279.06644	5.7
280.07202	1.4
281.08203	14.8
282.08768	2.7
283.09738	2.1
291.06650	2.7
292.07346	1.3
293.08429	6.4
294.08945	5.5
295.09659	2.2
296.07285	1.0
296.10565	4.2
297.07733	27.0
297.11163	2.3
298.08124	2.6
299.01968	1.1
300.02771	27.8
301.03302	4.0
307.09705	1.6
308.10379	3.3
309.07706	47.4
309.11313	10.7
310.08160	5.0
310.11407	1.2
311.09204	1.7
311.12909	3.1
312.10046	23.6
313.10538	2.5
323.09189	6.8
323.12949	1.9
324.10028	35.9
325.10461	5.7
326.11346	0.7
327.12381	67.0
328.12817	5.8
339.12372	100.0
340.12726	9.4
341.13907	2.7
342.14230	0.8
357.13391	1.9
501.17477	0.7
621.22083	4.3
633.22003	5.1
634.22662	1.2
651.15338	8.2
651.25256	9.0
652.15753	2.0
652.24744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1567
Annotation	Kaempferol 3-(6''-acetylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
59.01256	1.9
62.13027	0.6
65.00214	0.7
70.02852	0.6
71.01264	1.0
71.57603	0.7
74.83122	0.5
75.00753	0.6
89.02309	0.7
93.03329	0.8
96.95919	1.2
107.01301	1.1
107.04713	0.5
113.02341	1.0
117.03367	1.6
119.08537	0.9
123.04408	0.8
125.02369	0.9
151.00310	2.8
154.02126	0.6
159.04504	0.7
183.04471	4.0
187.03923	0.9
211.03928	3.3
226.02628	0.6
227.03423	7.1
228.14268	0.5
229.04875	1.0
239.03394	0.7
255.02957	49.0
256.03555	3.6
257.88422	0.7
269.04593	1.1
283.02469	100.0
284.03064	12.3
285.04037	71.1
286.04422	5.9
327.05060	3.7
357.46155	0.6
376.91901	0.7
446.08521	19.6
447.09238	13.1
448.09549	0.8
489.10333	24.1
490.10776	2.9
531.11462	2.2
629.54742	0.6
651.15576	32.0
652.16156	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	651.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70797	1.5
59.72101	1.4
62.44346	1.2
65.79969	1.2
71.56620	2.4
75.45400	1.2
75.86967	1.2
109.50191	1.5
119.04922	100.0
120.05273	5.0
163.03923	91.8
164.04195	3.5
325.09158	1.5
350.84668	1.4
411.20703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.3
63.02274	0.4
65.00207	0.8
67.87650	0.3
69.41393	1.3
69.41824	1.5
70.65736	0.3
71.01252	2.0
73.02829	0.7
83.01263	0.7
85.02832	0.9
87.00761	0.7
89.02332	0.9
91.01798	0.4
95.01289	0.6
96.95883	0.7
99.00740	1.4
101.02327	1.1
107.01289	1.3
108.02067	2.0
109.02862	0.5
113.02352	1.2
119.04870	0.3
121.02846	0.7
128.80173	0.3
135.00783	0.7
148.01576	1.7
151.00278	3.8
159.04482	0.5
163.00270	1.0
164.01068	0.7
169.01280	0.4
175.03951	0.7
178.99776	3.2
183.04407	0.5
187.03935	0.6
191.05585	0.3
199.03922	1.3
203.07018	0.3
211.03946	0.9
215.03423	0.9
216.04294	0.4
222.05193	0.4
226.02640	1.9
227.03441	3.5
243.02960	12.6
244.03384	1.1
254.02187	2.2
255.02966	28.8
256.03336	2.0
263.07288	0.4
271.02469	64.3
272.02924	5.3
279.06641	0.7
281.08109	0.9
293.08109	0.4
297.07693	1.6
299.01984	2.8
300.02737	100.0
301.03195	10.1
309.07748	3.2
309.11069	0.5
312.10117	1.7
323.09186	0.7
324.10068	2.0
325.10852	0.4
326.02982	0.9
327.12357	4.9
339.12347	7.8
340.12579	0.9
343.03796	0.4
420.31949	0.3
487.08524	0.4
489.09949	0.4
607.24243	0.7
609.14655	1.7
613.93274	0.3
633.22137	0.6
645.61823	0.3
651.15570	42.2
652.15967	6.5
679.25836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00020	1.8
54.51307	2.1
55.09398	1.9
57.03324	4.7
59.01254	52.9
61.98708	3.0
69.03333	2.8
71.01255	36.5
71.79768	1.9
72.99184	8.4
73.02828	3.8
74.02406	2.3
75.00755	19.6
78.95779	2.7
79.32748	2.0
83.01263	3.9
83.04901	2.9
85.02824	29.8
87.00730	12.4
89.02301	11.5
92.31627	2.3
93.03370	5.4
95.01292	4.4
96.95914	2.9
98.20515	7.0
99.00761	13.5
101.02332	15.4
103.00231	2.0
108.04434	2.0
109.01686	1.9
110.06024	4.2
113.02349	28.4
113.34273	2.3
114.02650	2.1
115.00263	3.2
116.92741	3.0
117.01798	2.3
119.03374	4.5
119.04926	6.2
120.08057	2.3
122.06010	3.1
123.04512	2.3
125.02310	2.4
125.09591	3.7
132.81514	1.8
134.03612	6.3
134.04579	2.3
135.05525	3.7
137.02350	3.6
145.02812	3.3
147.05656	1.9
151.00269	5.2
151.41100	2.2
160.01567	3.9
163.03917	4.6
171.10138	2.8
173.04501	13.8
173.87294	1.9
174.05524	3.6
175.02391	4.0
175.03909	4.1
178.99812	2.2
179.05441	2.3
185.11742	4.6
193.05014	3.8
201.11307	16.0
202.11546	6.2
209.11833	13.2
210.12161	8.0
211.13258	2.2
214.60983	1.8
215.11906	3.8
217.13409	5.7
229.14380	2.4
237.10323	2.6
243.02917	2.2
253.09386	3.4
255.02960	5.5
261.12570	3.6
265.26373	2.0
271.02530	11.9
272.03098	2.1
279.11197	2.2
293.12927	2.7
300.02856	19.8
301.03525	14.8
305.14951	5.8
374.15033	3.1
388.16672	2.9
390.17984	2.2
432.19391	2.9
447.09396	31.4
448.10037	2.7
473.27594	30.1
503.21295	5.5
531.26288	3.0
545.29059	2.6
573.27069	4.0
605.27386	4.1
612.26862	2.8
613.27606	5.2
617.26215	7.2
631.29388	4.7
649.30389	100.0
650.30554	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	650.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94553	3.3
59.01254	13.2
65.00201	5.7
69.27470	8.2
69.27877	39.4
71.01260	12.4
73.02822	5.0
85.02825	7.6
89.02359	7.2
93.03337	10.2
95.01259	6.5
101.02338	7.4
107.01300	9.1
109.02852	4.6
110.80904	3.8
113.02300	6.4
121.02858	9.5
123.00818	4.1
123.04424	8.2
125.02325	6.0
129.33017	4.9
131.03439	4.0
132.02074	11.2
133.02821	8.8
134.02388	12.9
137.02338	22.6
151.00266	30.8
152.01027	5.8
158.02309	4.8
162.01886	46.5
163.00319	8.4
163.05894	4.1
164.03430	29.2
169.01245	7.6
171.04411	5.2
175.03755	4.5
175.55037	4.3
176.01070	5.0
177.01834	43.7
177.29227	4.3
178.99828	11.3
186.01837	29.9
190.01421	11.7
192.00578	5.2
193.01154	5.0
204.02930	33.6
211.03815	5.4
220.47893	4.5
223.07776	4.4
227.03537	14.3
230.01012	4.5
238.05013	4.9
239.03346	4.9
243.03049	5.9
255.02939	34.2
257.04654	5.4
266.04596	10.5
267.02954	7.3
268.03671	7.9
269.04529	23.0
271.02533	19.1
272.03146	6.1
279.02988	13.9
283.02441	8.5
284.03232	10.3
294.04144	10.7
295.04993	7.2
297.04028	13.0
300.02670	32.3
301.03561	54.7
306.04102	40.0
314.04507	4.8
323.04343	49.4
324.05078	100.0
325.05609	6.8
341.05411	61.8
342.06018	6.2
525.53131	4.4
530.15173	19.6
533.57654	4.9
556.13031	5.3
559.83435	4.9
579.13904	5.9
609.14545	10.0
632.16138	47.6
633.16589	5.4
650.16888	53.7
650.26257	5.2
651.17230	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	649.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00020	1.8
54.51307	2.1
55.09398	1.9
57.03324	4.7
59.01254	52.9
61.98708	3.0
69.03333	2.8
71.01255	36.5
71.79768	1.9
72.99184	8.4
73.02828	3.8
74.02406	2.3
75.00755	19.6
78.95779	2.7
79.32748	2.0
83.01263	3.9
83.04901	2.9
85.02824	29.8
87.00730	12.4
89.02301	11.5
92.31627	2.3
93.03370	5.4
95.01292	4.4
96.95914	2.9
98.20515	7.0
99.00761	13.5
101.02332	15.4
103.00231	2.0
108.04434	2.0
109.01686	1.9
110.06024	4.2
113.02349	28.4
113.34273	2.3
114.02650	2.1
115.00263	3.2
116.92741	3.0
117.01798	2.3
119.03374	4.5
119.04926	6.2
120.08057	2.3
122.06010	3.1
123.04512	2.3
125.02310	2.4
125.09591	3.7
132.81514	1.8
134.03612	6.3
134.04579	2.3
135.05525	3.7
137.02350	3.6
145.02812	3.3
147.05656	1.9
151.00269	5.2
151.41100	2.2
160.01567	3.9
163.03917	4.6
171.10138	2.8
173.04501	13.8
173.87294	1.9
174.05524	3.6
175.02391	4.0
175.03909	4.1
178.99812	2.2
179.05441	2.3
185.11742	4.6
193.05014	3.8
201.11307	16.0
202.11546	6.2
209.11833	13.2
210.12161	8.0
211.13258	2.2
214.60983	1.8
215.11906	3.8
217.13409	5.7
229.14380	2.4
237.10323	2.6
243.02917	2.2
253.09386	3.4
255.02960	5.5
261.12570	3.6
265.26373	2.0
271.02530	11.9
272.03098	2.1
279.11197	2.2
293.12927	2.7
300.02856	19.8
301.03525	14.8
305.14951	5.8
374.15033	3.1
388.16672	2.9
390.17984	2.2
432.19391	2.9
447.09396	31.4
448.10037	2.7
473.27594	30.1
503.21295	5.5
531.26288	3.0
545.29059	2.6
573.27069	4.0
605.27386	4.1
612.26862	2.8
613.27606	5.2
617.26215	7.2
631.29388	4.7
649.30389	100.0
650.30554	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	647.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.8
57.03320	6.1
58.00468	5.1
59.01255	100.0
63.58641	2.6
69.28178	23.4
69.28587	3.8
71.01260	66.5
72.99184	9.9
73.02824	18.5
75.00745	22.4
83.01279	10.1
85.02824	43.7
86.75037	2.6
87.00755	12.1
89.02316	33.0
90.20144	2.1
95.01270	6.7
95.70464	2.3
97.02874	2.7
99.00763	15.0
101.02333	38.9
103.00225	3.4
104.14548	2.3
109.20607	2.2
111.00779	4.0
111.04413	3.3
113.02332	52.7
115.00249	3.2
119.03383	20.8
119.04900	4.3
124.01587	3.1
125.02328	5.6
128.74434	2.7
131.03410	4.4
135.04384	3.4
143.03407	5.3
161.04494	9.1
173.04457	4.3
175.02403	3.1
179.05553	7.6
201.11345	5.9
209.11803	5.2
227.12817	3.3
234.09666	2.6
239.11824	2.6
270.14407	2.5
291.19617	4.9
341.20166	3.1
381.27692	2.7
410.55405	2.8
471.25882	24.5
472.26294	3.0
543.28235	13.2
561.29303	13.9
571.25543	3.1
629.28241	5.9
647.29315	79.5
648.29828	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	647.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.2
58.00466	3.3
59.01253	100.0
61.98706	1.7
69.37439	5.8
69.37872	8.9
71.01258	61.6
72.99171	5.4
73.02824	20.0
75.00756	3.0
78.95775	2.3
79.56782	1.3
81.03326	2.9
83.01257	8.4
83.04887	5.5
85.02818	21.8
87.00761	5.0
89.02319	37.7
93.03349	2.0
95.01268	3.9
96.95887	6.3
97.02853	1.8
99.00739	5.0
101.02326	39.9
106.03128	1.7
108.58863	1.4
109.02845	3.1
113.02331	43.4
119.03411	15.6
119.04884	5.7
121.02898	2.0
124.01453	1.7
125.02321	4.7
125.09588	2.2
127.11167	4.2
128.03409	1.7
131.03386	4.1
134.03595	2.1
137.02356	7.0
143.03363	5.7
149.02296	2.1
149.04449	3.2
151.00401	1.7
155.10677	2.0
161.04433	12.0
163.03889	4.6
163.11217	1.6
164.33681	1.4
165.01854	11.5
165.09096	3.8
165.12787	1.5
166.02287	3.4
167.02380	2.1
171.10185	3.2
175.02428	1.5
175.03909	2.5
179.03391	2.5
179.05531	8.8
180.04184	5.2
181.04738	2.1
184.96248	1.5
193.05086	1.7
194.05664	1.6
195.06583	6.7
196.06927	2.0
201.11263	81.9
202.11519	2.0
209.11777	74.7
210.12054	4.0
225.07611	3.7
226.07922	3.7
227.12871	8.4
235.08249	3.9
253.09277	13.2
267.07135	2.3
271.02478	2.9
301.03394	2.5
349.18680	3.6
365.27258	1.6
390.16104	2.3
391.16321	1.8
501.14081	1.6
543.28204	26.0
544.28522	3.5
561.29346	22.8
562.29510	3.8
569.22833	4.3
603.26526	2.0
617.21948	1.9
624.56812	1.9
647.28308	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	647.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	7.3
59.01254	100.0
62.45324	3.0
66.04489	3.6
69.26229	37.7
71.01257	65.7
73.02813	12.0
73.07761	3.0
75.00760	4.6
83.01229	4.4
83.02367	7.5
85.02821	31.0
87.00781	6.3
89.02327	26.5
91.01206	3.6
95.01287	5.2
99.00778	10.2
101.02335	31.5
113.02335	36.9
119.03381	15.1
125.02356	8.1
143.03424	3.6
161.04510	11.8
176.89078	2.9
178.99843	5.3
201.11279	5.9
257.12955	6.8
258.13272	8.5
259.13379	5.2
285.12482	6.5
301.11945	10.7
302.12228	14.2
303.12866	9.7
399.23773	8.6
543.28204	67.7
544.28149	11.4
561.29205	57.4
562.29333	7.4
571.24811	5.2
603.29688	4.6
647.38232	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	649.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09977	0.4
50.16515	0.4
59.82188	0.5
69.03323	0.4
71.01241	3.3
72.13293	0.6
73.02824	0.8
75.00758	0.8
79.97137	0.4
85.02836	1.7
89.02333	0.8
93.03336	0.7
96.95905	2.0
99.00813	0.6
101.02325	1.2
106.04129	0.8
109.02845	1.9
111.00764	0.7
113.02310	0.9
117.01854	0.9
117.03357	0.7
119.04939	1.5
121.02858	1.6
122.06017	0.7
125.02354	0.4
132.02071	5.0
133.02864	2.3
134.03642	55.1
135.02876	1.2
135.04022	1.6
136.07631	0.6
137.02348	9.3
137.03328	0.9
139.03899	3.1
145.02893	0.6
149.02364	0.6
149.05991	17.6
150.03094	0.9
152.14664	0.4
153.01837	2.6
160.01578	25.6
161.02382	4.0
163.03911	0.6
163.38683	0.5
175.03938	29.8
176.04391	0.8
177.05553	0.5
178.02647	33.8
179.03143	2.2
189.04237	0.5
192.04257	1.7
193.05005	100.0
194.05316	4.4
207.06509	0.8
221.04433	0.7
236.93733	0.5
273.12344	0.7
313.11942	0.8
317.11316	1.3
323.07718	4.6
329.15985	1.0
335.12479	5.5
337.09286	28.2
338.09705	1.5
531.15106	33.7
532.15466	4.3
560.96356	0.5
649.18121	4.6
649.25830	0.9
650.17676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87564	0.6
54.11879	0.5
55.01764	1.4
57.03332	1.0
59.01255	15.7
59.01532	0.9
61.98716	1.3
69.37002	2.2
69.37439	3.9
71.01258	15.6
72.99192	2.4
73.02824	14.0
73.64243	0.6
75.00765	2.7
81.03365	2.0
83.01269	3.7
83.04894	5.0
85.02832	5.5
87.00760	1.3
89.02325	6.3
92.17965	0.6
93.03358	1.9
93.57285	0.6
95.01315	1.5
96.95909	2.6
98.19803	1.3
99.00773	1.4
99.04410	2.1
101.02335	5.7
103.00290	0.7
108.28090	0.7
109.02859	2.4
113.02329	6.0
117.03388	2.2
119.04925	100.0
120.05237	3.3
121.02833	1.4
121.10136	1.1
122.06044	1.0
123.04440	0.8
125.02352	2.8
127.03931	4.2
127.11195	1.5
131.03378	1.3
132.02084	4.7
133.02859	7.0
134.03630	7.8
135.04468	4.7
136.01500	0.6
137.02371	1.1
137.09642	0.9
145.02863	6.8
145.04974	10.7
149.06015	2.6
151.00278	0.8
151.03836	0.6
152.01050	0.7
153.01822	0.7
160.01581	21.3
160.03847	1.2
161.02371	24.1
161.04486	1.9
162.02818	0.6
163.03932	51.6
163.05945	8.7
164.04361	2.9
165.01852	1.4
165.09163	1.2
171.10297	0.8
175.03941	28.9
176.04424	0.9
177.05505	6.4
178.99748	0.8
179.03421	4.5
183.10297	0.7
187.48232	0.6
191.07039	1.1
193.05051	6.5
195.06583	0.8
201.11269	19.5
203.96231	0.7
209.11783	17.7
217.04997	0.9
221.04494	1.2
227.12860	2.3
252.09059	0.7
253.09322	3.9
267.07147	2.0
267.11411	1.6
285.12485	1.1
291.08682	3.7
300.02698	1.3
306.07700	0.7
309.09836	5.1
315.14633	4.3
323.07712	13.5
324.08118	1.2
325.09027	1.0
337.09323	24.9
338.09482	2.3
349.18677	3.5
467.19489	0.7
471.08826	0.9
471.15109	12.9
472.15030	1.2
501.14056	42.4
502.14502	4.7
543.27893	1.4
571.25568	0.9
629.21356	2.3
647.19531	20.0
647.28430	1.5
648.19995	3.5
648.29706	0.8
654.07123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.5
60.09942	0.2
65.99718	0.1
69.58051	0.7
69.58467	0.5
71.01253	1.5
72.99187	0.4
73.02831	0.3
75.00758	1.3
79.95612	2.7
85.02823	1.1
86.95531	0.2
87.00737	0.7
89.02319	0.3
93.03325	0.3
94.03706	0.2
95.01259	0.2
96.95897	100.0
97.95850	0.3
99.00745	0.5
99.92467	0.2
101.02340	0.5
103.00309	0.3
108.02066	0.2
109.02864	0.2
110.02353	0.3
111.00746	0.3
113.02352	0.9
115.00251	0.3
116.92735	0.4
117.01808	0.2
119.04967	0.3
121.02907	0.2
121.77229	0.2
124.80920	0.2
125.02354	0.2
129.01845	0.4
150.03186	0.2
151.00284	0.5
153.01808	0.2
157.32568	0.1
163.03903	0.2
173.04459	0.3
175.02391	0.4
175.03912	0.2
178.99802	0.3
193.03493	0.4
243.41794	0.2
255.02937	0.6
271.02493	1.0
289.56094	0.2
290.52396	0.2
299.02188	0.3
300.02747	2.0
301.03455	1.0
370.21158	0.3
399.40411	0.2
505.09903	2.8
578.86804	0.2
603.23206	1.0
629.23975	0.2
646.27008	0.6
647.26691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75677	0.6
54.87024	0.7
57.03319	1.4
57.51089	0.8
57.81929	0.8
59.01260	9.1
68.04500	0.8
71.01259	9.9
72.99193	1.5
73.02821	11.5
75.00748	2.3
81.03313	1.6
83.01268	1.1
83.04902	2.9
85.02840	5.4
89.02308	5.3
93.03329	1.2
96.95889	2.3
99.00735	0.9
99.04421	2.5
101.02315	4.9
102.20773	0.7
106.06481	1.5
109.02823	1.2
113.02311	4.9
117.03342	2.1
119.04927	100.0
120.05282	3.2
122.06006	2.8
125.02371	1.2
127.03906	2.6
131.03392	0.9
132.02089	5.4
133.02858	3.6
134.03656	7.2
134.06003	1.1
135.04416	2.8
145.02866	3.1
145.04955	9.0
148.03983	0.9
149.06024	1.4
152.01030	1.1
152.07060	1.0
160.01585	29.9
160.03896	1.8
161.02377	11.5
161.04460	1.0
163.03935	74.7
163.05882	4.5
164.04268	2.9
165.09216	1.1
167.03476	1.2
169.04019	2.5
169.60530	0.7
175.03937	32.2
176.04369	1.4
177.05470	4.4
178.02631	0.9
179.03421	2.3
193.04999	6.2
201.11244	3.6
209.11807	3.1
213.10313	1.5
221.04457	0.9
230.73312	0.7
241.13527	1.0
252.09045	4.1
253.09572	1.8
267.07224	3.1
267.11511	5.3
271.09949	1.9
281.12839	1.5
285.12320	4.0
291.08673	3.6
297.12491	3.1
309.10052	1.7
311.10464	1.7
313.11902	1.6
315.14481	3.5
323.07635	10.0
323.10587	0.9
324.08221	1.0
337.09283	26.4
338.09750	1.7
339.09583	1.2
349.18625	5.6
375.16187	0.8
471.14935	1.4
480.21661	1.5
497.21613	0.8
501.14056	46.1
502.14502	6.5
506.15622	0.8
519.76135	0.8
529.23907	1.0
552.18951	0.8
571.25537	4.2
572.27039	0.8
603.28278	1.3
609.97070	0.9
611.21198	1.1
615.16357	1.0
615.24976	2.5
629.22125	3.3
630.22974	1.6
643.15613	0.8
647.18488	11.6
647.28729	3.3
648.19141	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	645.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67967	0.5
55.01752	2.0
57.02880	0.6
57.03325	5.7
58.00467	0.9
59.01252	35.1
61.98679	0.7
67.01790	0.9
67.68022	0.6
68.99708	0.9
69.03325	0.8
71.01257	28.3
71.57483	0.9
72.99182	6.0
73.02820	3.8
74.27003	0.6
75.00751	35.2
78.95784	0.8
80.96388	1.2
83.01255	2.9
85.02826	39.2
86.03157	0.9
87.00756	9.2
89.02348	3.5
95.01263	3.8
97.02805	1.4
99.00764	13.2
99.04411	0.8
101.02329	6.1
103.00255	1.3
111.00800	1.2
112.01560	0.8
113.02335	38.5
114.02666	1.0
115.00280	2.7
116.01080	1.0
117.01840	2.6
125.02364	0.8
127.03856	0.9
129.01846	2.0
132.88907	0.6
157.01341	2.1
159.02946	0.9
161.04469	2.2
171.10204	1.9
175.02403	5.3
183.13812	0.6
185.11838	0.6
195.13799	0.7
197.11757	1.8
198.12099	0.8
199.13322	2.6
201.03978	1.1
209.11807	5.1
211.13345	2.5
212.13589	0.7
226.04303	0.7
227.12955	1.4
253.09256	1.7
289.44598	0.6
377.07318	4.3
383.24365	1.5
408.27823	0.8
497.27444	1.7
541.26532	1.2
601.28687	100.0
602.29047	15.6
644.36591	0.6
645.36700	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	645.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04278	1.4
57.03317	5.9
58.00468	2.0
59.01251	24.0
68.10408	2.0
68.99687	2.9
69.03335	2.8
70.27503	5.5
71.01256	33.7
72.99189	4.9
73.02815	4.5
75.00745	17.1
83.01261	2.4
85.02820	21.6
87.00748	41.1
89.02322	11.4
89.04858	1.6
95.01272	5.3
96.95889	9.0
99.00761	9.4
101.02319	5.4
103.00236	2.9
107.04896	1.7
111.00771	3.5
113.02336	33.7
115.00282	2.8
117.01806	2.8
119.03381	2.6
120.27377	1.5
125.02339	1.7
129.01814	4.1
161.04446	2.0
163.03995	1.9
175.02422	2.5
191.05548	2.8
197.08133	5.3
231.05077	2.2
249.06123	100.0
250.06433	4.0
267.07202	86.6
268.07495	3.6
337.07724	37.2
338.08084	3.5
345.15698	2.7
372.59668	1.9
375.14331	1.8
645.22363	27.7
646.22949	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	645.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	10.0
68.62600	1.2
71.01267	6.0
72.99190	1.5
75.00739	2.5
78.95783	6.1
85.02823	2.7
86.55457	1.2
87.00768	2.5
87.76732	1.3
89.02309	3.5
92.99503	1.1
96.95871	3.6
96.96851	1.3
101.02340	2.9
109.02861	2.2
113.02348	3.7
113.53387	1.3
119.03387	1.3
121.02808	1.8
125.02358	1.1
136.01508	1.3
137.02342	23.9
138.03082	1.1
139.00183	1.4
139.03914	1.2
144.17659	1.3
145.02846	4.6
147.04448	2.7
148.01520	1.3
149.02411	1.6
151.00259	3.1
151.03932	3.7
152.99463	3.8
153.01799	1.5
155.51910	1.3
162.03127	2.4
163.03889	4.7
164.01047	4.1
164.04721	2.0
165.01849	100.0
166.02219	6.4
167.02925	1.3
171.10159	3.9
174.03169	2.0
175.03932	9.7
176.04614	3.0
177.05457	4.2
179.03418	17.9
179.06956	1.3
180.04204	59.5
181.04942	6.6
182.05371	1.3
184.76550	1.2
188.04648	2.8
189.05487	4.0
190.06311	9.3
191.03455	2.6
191.07001	5.9
191.77281	1.3
192.04224	2.8
193.05005	4.0
194.05794	10.9
195.02890	2.7
195.06572	72.7
196.06870	3.9
203.07066	3.3
205.05251	1.4
205.08679	8.8
207.06566	9.7
208.07256	4.7
209.08154	2.9
209.11754	1.4
210.05284	10.9
211.13283	3.9
222.08966	1.4
225.07639	62.1
226.08002	3.3
229.14388	2.8
235.47560	1.5
285.04144	1.6
301.03598	3.0
329.23221	5.9
356.12637	1.6
387.14157	1.6
389.16046	50.5
390.16440	5.2
397.13739	1.9
401.15656	2.0
419.17514	1.3
507.16711	1.5
567.22369	51.3
568.22723	7.5
597.23499	2.7
615.24237	4.9
616.23883	1.5
645.18854	1.5
645.28894	21.3
646.28418	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	645.204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43940	0.7
55.59161	0.7
59.01258	4.4
61.63800	0.7
61.98686	1.0
69.03323	4.0
71.01253	4.0
71.58120	1.3
73.02822	1.0
80.96391	1.0
81.03313	1.7
83.01262	2.6
85.02805	2.7
87.00744	1.4
89.02297	2.1
93.35269	0.7
95.01276	3.8
96.95896	5.9
97.02844	5.1
101.02371	0.7
107.01278	2.1
108.02012	1.4
109.02850	1.5
113.02338	1.3
119.08511	1.1
121.02808	1.2
123.00768	13.8
124.01568	31.8
125.02342	76.8
126.02641	1.9
136.01550	1.7
137.02380	5.6
145.68768	0.6
149.99496	44.2
151.00281	4.2
151.03882	0.7
153.01833	1.5
165.09055	0.9
167.03413	1.8
168.00557	77.1
169.01324	9.0
179.03522	0.8
183.10172	0.9
191.05513	0.9
199.65504	0.9
249.06203	1.2
267.07217	0.9
300.02521	0.9
313.05707	3.9
331.06906	1.4
381.38580	0.7
459.97913	0.9
497.16699	10.0
498.16452	1.1
627.19531	1.1
645.20343	100.0
646.20605	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	643.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46076	1.8
57.03317	3.1
59.01248	21.5
61.98713	2.4
67.67252	1.5
69.03310	3.5
69.41389	17.0
71.01255	19.7
72.99194	2.8
73.02832	4.2
75.00744	10.7
78.95788	3.9
78.98486	2.4
79.95605	8.8
80.96389	19.8
83.01249	2.6
83.04903	3.9
85.02828	10.5
86.99962	1.8
87.00745	4.8
89.02335	5.8
94.97982	5.8
95.04904	2.5
96.95882	8.0
97.02840	3.2
98.19821	2.9
99.00747	6.0
101.02335	8.0
109.06505	2.1
111.08012	2.9
113.02329	11.0
125.02366	2.9
125.09587	2.6
129.71611	1.9
139.03903	4.0
151.00279	2.4
152.98436	1.9
152.99547	2.5
163.11121	2.2
164.98534	2.9
165.12764	18.5
171.10240	3.3
171.64409	1.7
181.12376	2.8
183.13837	100.0
184.14215	3.5
185.11794	3.1
193.12282	3.3
195.13901	8.1
197.11771	38.6
198.12131	2.1
199.13388	7.2
201.11278	2.9
207.10202	1.9
209.11790	44.7
210.12175	3.2
211.13333	70.4
212.13586	9.7
213.14987	13.7
223.13318	3.8
225.00815	7.9
225.11171	3.9
227.12857	18.9
235.08096	2.9
235.13336	2.2
241.14310	8.7
251.12895	7.7
253.09273	10.3
253.14540	2.6
255.02971	3.3
263.12854	3.1
271.02499	8.0
299.01822	18.1
300.02649	16.0
301.03366	4.3
301.16608	10.4
351.18130	3.0
389.27072	3.6
396.93048	2.0
407.28104	14.1
412.31882	1.7
425.29257	2.2
432.07135	2.1
471.15533	17.2
472.15936	2.1
495.29590	36.7
496.30017	4.5
525.30981	11.0
527.18030	2.5
535.29083	8.7
537.31525	2.8
577.30737	2.6
589.29980	3.7
597.74017	2.0
599.26721	9.2
607.31396	2.4
611.21576	3.1
643.34894	22.4
644.33221	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	643.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	3.6
57.03310	4.8
58.00451	3.2
59.01254	90.6
60.01593	1.3
61.98688	2.9
64.09752	1.3
65.00172	2.7
69.03316	3.0
70.91791	4.5
71.01255	73.3
72.99193	8.6
73.02823	18.6
75.00745	2.1
78.95766	6.4
80.96389	2.4
81.03318	3.6
83.01265	6.9
83.04876	2.9
85.02823	30.4
87.00730	4.0
89.02319	46.8
90.93695	1.2
93.03306	2.1
94.10339	1.3
95.01267	2.2
96.95896	1.9
97.02843	2.6
97.86614	1.2
99.00739	7.3
99.04401	1.9
101.02320	21.6
103.03899	4.7
106.06503	4.0
107.01279	1.9
108.04445	2.9
109.02820	5.7
109.06423	1.4
109.15168	1.4
113.02325	15.1
115.00230	1.5
116.92711	1.8
119.03371	10.4
119.08559	31.5
121.02859	2.2
121.10117	12.1
122.03629	2.3
123.04382	1.5
124.01584	1.3
124.07590	2.4
125.02361	2.9
127.03863	1.9
127.56315	1.1
131.03375	3.5
134.06047	2.8
136.07617	7.4
137.02333	4.4
143.03389	2.4
143.04510	1.4
149.02365	1.6
149.04485	3.1
151.00281	8.4
151.03902	3.5
152.01015	1.6
152.07034	1.4
152.99498	4.3
153.01805	2.3
160.01559	1.3
161.04442	4.6
163.06223	2.2
163.07564	22.5
165.01857	7.3
165.09132	5.9
169.01358	1.7
171.10208	4.1
175.03914	3.2
178.99776	5.7
179.05537	2.5
181.05029	1.3
181.08684	2.8
181.12567	1.3
182.08856	1.4
183.06497	1.3
183.10155	5.2
185.11624	1.6
197.11722	1.6
203.06985	1.4
205.04951	3.2
209.11819	7.1
211.13260	3.8
225.10074	1.5
229.14355	2.7
238.11136	11.7
239.11465	1.3
241.01132	4.5
241.10001	2.1
253.13429	19.5
255.02953	1.7
257.12961	19.4
271.02417	3.7
297.03873	1.4
300.02597	4.7
301.03192	3.9
306.07550	1.9
313.12943	100.0
314.13245	5.3
315.14410	11.2
327.14505	7.8
327.21738	4.1
329.16058	44.8
330.16467	4.0
331.13992	16.7
345.15637	4.3
436.18890	10.7
437.19006	2.2
444.73822	1.3
493.14603	1.6
511.15735	6.1
537.25336	7.0
581.24078	9.0
582.24091	1.9
599.25220	31.0
600.25549	5.8
613.28583	4.2
625.28278	3.3
643.17523	3.1
643.28760	65.6
644.28809	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	643.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.6
57.03315	7.8
57.32482	2.2
58.00443	3.3
59.01253	91.1
61.98678	2.7
71.01257	76.6
72.99165	3.6
73.02819	15.0
75.00767	2.9
76.53140	2.1
78.95773	9.1
80.96365	2.5
83.01241	7.9
85.02827	29.8
89.02322	42.9
92.04935	3.2
94.06525	2.4
97.02818	3.3
98.61327	2.3
99.00744	4.9
101.02321	18.2
103.03890	4.0
106.06500	9.3
108.04424	13.4
109.02807	5.2
112.49466	2.7
113.02317	9.8
119.03391	4.3
119.08553	39.1
121.10118	12.0
122.03629	3.4
122.06007	2.9
124.07564	6.8
125.02401	2.9
131.03365	8.5
132.08052	6.0
134.06010	6.0
136.07585	33.7
137.02344	14.8
138.03056	3.3
139.03844	2.4
141.43481	3.0
145.05078	2.5
149.02315	4.5
151.00241	4.2
151.03896	2.5
151.32376	2.4
152.07010	3.0
152.99451	4.3
161.68045	2.3
163.07552	30.0
165.01820	11.3
165.09076	4.8
168.04175	5.6
171.10114	6.0
183.10210	4.6
185.11754	3.7
191.03493	3.3
192.04178	4.5
194.40082	2.3
195.06520	3.0
205.04977	4.1
207.06624	5.8
208.03705	4.2
208.52905	2.3
209.11763	5.8
223.06065	6.8
225.10217	2.6
229.14500	3.1
238.11082	33.2
239.11563	5.2
241.01125	4.6
251.11803	3.2
253.13438	68.4
254.13892	5.3
255.11429	4.5
257.12939	71.6
258.13196	5.7
267.23050	3.0
271.02356	3.9
283.36407	2.5
298.05115	2.6
299.01834	6.3
300.02417	4.6
301.02866	2.6
313.12946	45.6
315.14474	43.7
316.14767	3.8
327.14487	87.5
327.21735	9.1
328.14890	5.6
329.16043	24.6
331.13910	7.2
345.15527	10.5
432.06229	4.3
433.06802	7.8
436.13153	4.3
436.18741	41.3
437.18970	5.4
462.20148	2.7
466.96902	2.7
537.25031	13.4
538.25244	3.5
550.63507	2.7
581.24292	20.8
582.25116	2.8
599.25073	100.0
600.25500	18.5
613.29022	3.1
625.28857	4.8
643.28442	87.4
644.28766	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	643.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
57.03313	3.8
58.00453	2.7
59.01252	59.2
59.48160	0.8
69.03320	1.7
70.72521	1.0
71.01257	53.6
71.45213	2.5
72.99174	4.3
73.02824	12.1
74.06738	0.8
78.95763	1.7
81.03330	2.4
82.90834	0.8
83.01251	4.2
83.04913	1.4
85.02827	21.2
87.00746	0.9
87.04353	1.0
89.02317	28.0
99.00753	4.9
99.04390	1.9
101.02325	9.0
103.03895	3.2
109.02811	1.3
111.04404	1.8
113.02289	4.6
119.03370	3.3
119.08555	31.9
121.10145	5.8
131.03397	3.0
137.02325	2.7
146.38203	0.9
149.04407	2.2
152.99437	1.2
163.07573	8.2
163.11240	1.3
165.01880	11.8
165.09109	6.6
167.10681	2.8
178.99808	1.1
180.04175	6.9
181.08575	1.7
183.10220	4.7
191.71858	1.0
195.06570	7.7
207.10155	1.9
209.11812	1.2
210.05174	1.6
225.07610	7.2
238.08704	0.9
295.11887	1.7
297.13403	1.2
309.13263	1.0
313.12808	2.6
315.14551	9.5
327.14410	3.4
327.21817	1.3
329.16101	5.2
333.38547	1.0
417.15530	1.8
587.88904	1.0
613.28864	4.4
625.18408	2.4
625.28674	52.3
626.28912	9.2
643.29669	100.0
644.30042	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15260	3.8
59.01251	25.9
71.01260	20.9
72.99181	4.1
75.00768	4.6
82.66467	3.8
83.04890	6.2
85.02811	6.1
87.00736	8.1
89.02317	20.3
95.01264	4.1
97.02853	4.4
101.02328	17.7
113.02319	10.6
119.03404	4.7
125.02258	5.5
126.07753	3.8
163.11101	5.0
191.05432	9.3
201.11263	95.6
202.11525	6.6
209.11766	100.0
210.12100	5.2
215.54337	3.6
227.12865	19.7
233.06743	4.1
235.08180	5.2
241.08669	4.9
305.08917	4.4
321.42599	4.1
397.13510	43.0
415.14618	41.8
497.04129	3.8
599.25903	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	643.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97115	0.6
55.94228	0.6
56.83145	0.7
57.03328	1.1
58.00445	0.7
59.01252	13.3
59.34436	0.7
61.98680	1.1
65.00176	1.0
69.03329	2.0
69.43085	0.7
69.43327	1.6
69.43740	4.5
71.01257	9.7
72.99190	0.8
73.02825	1.7
75.00757	1.6
78.95789	6.8
79.95601	0.9
80.96390	2.1
83.01263	5.2
85.02836	4.3
87.00765	1.8
89.02331	5.8
93.03347	3.0
95.01276	2.1
95.04892	0.8
96.21922	0.7
96.95925	1.1
96.96838	1.7
97.02842	4.5
98.20584	1.3
99.00757	1.3
101.02334	5.0
107.01312	0.8
108.02057	2.3
109.02850	12.1
113.02303	3.8
115.98046	0.6
119.04923	2.2
121.02854	6.4
122.03645	9.4
123.00787	1.4
123.04436	8.0
124.01579	3.4
125.02351	3.7
133.06509	0.7
135.04399	2.2
136.01598	1.7
137.02344	39.2
138.02965	1.1
139.03922	2.6
143.04556	0.8
145.02864	1.0
146.03552	1.0
147.04471	0.8
149.02339	4.2
149.06046	0.8
150.03122	3.3
151.00252	4.5
151.03873	4.5
152.01094	1.7
152.99547	4.4
153.01906	1.1
154.02599	1.6
159.04434	3.6
160.01753	0.7
161.02385	2.1
161.04640	1.0
161.05997	5.9
162.03133	2.4
163.00255	0.7
163.03906	3.0
164.01035	7.3
164.04753	0.8
165.01849	70.9
165.05528	2.7
166.02567	6.9
167.03413	3.3
169.01321	1.5
171.10205	2.7
175.03952	2.4
175.07564	0.8
176.04643	1.0
177.05496	2.6
178.99792	1.5
179.03413	13.4
180.04210	20.0
181.04997	6.7
181.08722	0.9
183.13824	1.0
187.03934	2.9
188.04713	1.5
190.02675	0.9
191.03644	0.7
193.04929	0.9
194.05896	1.1
195.02882	1.4
195.06566	24.5
196.06851	1.6
201.05504	1.4
203.03531	0.8
203.07094	7.1
204.04445	0.8
205.05022	11.9
210.05309	2.9
211.13318	1.2
220.07181	0.8
223.06203	1.0
224.37337	0.7
225.00711	1.3
225.07616	14.5
231.02946	1.1
241.01260	3.3
244.07375	1.3
247.06258	1.7
288.06409	2.4
301.03360	1.0
327.21774	3.5
356.88229	0.8
359.11234	1.4
372.11899	1.1
387.10464	1.3
387.14816	1.7
402.13559	0.9
403.13867	1.0
417.15500	8.3
419.22226	5.1
443.12198	2.1
463.21622	0.9
479.22791	1.1
491.22922	2.4
565.21454	1.0
595.22028	9.7
596.22729	1.4
599.28503	2.6
643.27649	100.0
644.27905	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	643.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47412	0.8
55.01768	1.2
59.01257	15.3
69.03320	2.0
69.48679	7.7
71.01255	12.2
72.99184	1.0
73.02835	2.7
75.00742	2.1
78.95786	4.1
79.95616	2.1
80.96394	2.9
83.01260	4.0
85.02840	4.9
87.00704	1.0
89.02316	7.5
93.03323	1.9
94.11845	0.8
95.01266	2.1
96.95898	3.7
97.02827	5.0
98.20547	1.0
101.02329	4.5
108.02063	2.3
109.02845	7.8
113.02309	4.3
119.03360	1.5
119.04948	1.6
119.08536	1.2
121.02856	4.0
122.03627	8.8
123.04449	5.0
124.01573	2.9
125.02369	2.3
134.03661	1.7
135.04396	2.3
136.01529	0.9
137.02350	24.6
138.03113	1.2
139.03915	2.5
145.02896	1.1
149.02332	4.1
149.05997	1.3
150.03122	1.8
151.00301	2.0
151.03905	3.0
152.01160	1.1
152.99504	2.6
153.01823	1.1
154.02579	1.4
159.04424	2.0
160.01553	1.5
161.02374	1.7
161.06000	4.5
162.03142	1.6
163.03934	1.9
163.07625	1.1
164.01082	4.9
164.04590	1.1
165.01862	35.5
165.05511	1.3
166.02428	1.8
171.10243	1.4
173.06024	1.3
175.03915	3.3
175.07457	1.1
177.05457	2.4
179.03401	3.9
180.04184	3.1
181.08585	1.7
183.10223	1.3
187.03935	1.9
188.04599	1.4
190.34229	0.8
191.05490	0.9
193.05022	1.6
195.03175	1.1
195.06592	3.4
201.05513	1.5
202.06281	1.0
203.07124	5.3
205.04945	8.2
211.13385	1.2
212.03973	0.9
225.07599	3.7
241.01236	2.6
244.07280	1.7
247.06094	1.5
288.06406	3.1
327.21744	2.7
349.03955	0.9
359.42905	0.9
419.22272	3.4
481.22217	0.9
491.23090	1.7
511.15823	1.4
598.34363	1.0
599.28473	2.5
625.29205	1.3
643.27686	100.0
644.28058	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	643.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64472	0.6
57.03307	0.7
57.15685	0.5
59.01241	3.0
61.98705	1.7
63.96120	1.2
69.03328	1.8
71.01263	10.4
73.02831	2.7
73.88895	0.6
74.07272	0.6
74.54170	0.5
75.27344	0.6
78.98465	7.4
79.95615	39.7
80.96397	83.6
81.03326	1.2
81.71306	0.6
82.54000	0.6
83.14854	0.6
85.02825	3.4
87.00763	3.9
89.02324	1.4
94.97973	20.8
96.95904	2.1
97.02853	3.2
98.19739	1.0
99.00751	0.8
101.02316	4.6
106.97970	5.0
107.50336	0.6
113.02351	1.8
122.96651	0.9
122.97475	7.7
125.02395	3.8
127.03904	1.6
134.97472	5.7
136.99106	1.5
143.03423	0.7
148.99080	9.1
152.98546	9.2
164.98553	14.4
171.10175	5.7
173.04526	0.8
178.96994	0.6
182.99677	2.9
183.13829	2.0
184.14162	0.9
197.11755	1.6
199.13362	0.9
206.99644	4.2
209.11768	2.9
211.13367	22.4
212.13704	11.0
213.13690	1.1
213.14961	2.9
225.00731	33.6
226.00998	1.1
229.26378	0.8
241.00201	1.9
243.01801	3.3
253.09279	1.4
299.04565	6.2
309.20761	1.3
313.13303	0.6
315.03827	0.7
345.12335	0.7
399.09671	1.3
441.14127	0.8
471.15439	100.0
472.15781	8.9
499.18466	2.9
527.18036	17.7
528.18542	2.6
543.17572	3.0
643.26489	35.1
643.35724	1.4
644.26630	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	643.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75747	1.2
55.01752	2.4
57.03318	1.8
59.01254	29.5
71.01257	30.7
71.57786	2.3
72.99197	1.4
73.02827	4.8
75.00765	2.0
78.95774	4.5
80.04944	2.6
83.01266	4.0
85.02822	12.4
89.02325	13.3
93.03372	1.9
94.06500	1.5
101.02319	5.2
103.03856	2.7
106.06509	11.9
108.04439	15.0
113.02317	4.0
115.91668	1.2
116.52613	1.2
117.67757	1.2
119.03401	2.9
119.08557	11.8
121.10121	4.0
122.03606	1.5
122.05929	1.5
124.07570	7.4
125.02279	1.6
131.03432	1.7
132.04463	1.2
132.08096	2.6
134.06015	6.1
134.09663	1.5
136.07593	30.5
137.02383	2.1
146.06096	1.9
150.05507	3.6
151.00284	3.8
152.07037	3.6
152.99467	1.7
160.07608	3.5
160.71495	1.4
163.07547	12.5
165.01846	3.9
165.09116	1.6
168.06757	2.2
171.10135	1.7
178.05028	2.9
185.11743	2.5
197.11824	1.8
209.11765	2.9
211.12268	1.6
223.08701	2.5
224.09459	2.8
225.10333	3.0
237.10162	2.0
238.11089	34.1
239.11639	4.6
241.01120	3.1
241.09750	2.0
251.11906	3.1
253.11365	1.0
253.13438	62.8
254.13748	4.9
255.11452	3.9
257.12939	69.3
258.13239	5.3
267.11334	1.4
269.12463	1.6
271.02347	4.0
272.02594	1.5
279.11572	1.7
299.01883	3.4
299.14044	1.7
300.02429	5.8
301.02676	3.9
313.12866	3.4
315.14502	26.9
316.14667	1.6
327.14514	42.6
327.21289	1.9
328.14749	3.7
338.71518	1.4
345.15436	5.9
390.18195	1.6
392.19611	2.2
418.21432	1.6
432.06561	4.0
433.06940	4.7
436.18777	38.0
437.19144	4.2
462.20132	3.5
511.15945	2.2
537.25024	19.7
538.25183	4.0
581.24219	24.8
582.24261	4.3
599.25128	100.0
600.25629	15.9
613.28729	4.1
614.28400	1.6
625.28906	2.4
643.28192	23.6
644.29352	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	643.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66854	1.0
54.00228	1.1
59.01220	3.8
69.03333	5.3
69.56543	7.9
71.01228	4.0
78.95792	7.0
80.96355	2.2
83.01251	2.2
85.02793	3.6
95.01234	2.6
97.02773	3.9
107.01279	1.5
108.02016	2.6
109.02839	1.4
111.46821	1.2
113.02258	1.3
123.00787	9.1
123.04389	1.6
124.01568	22.9
125.02340	62.7
137.02315	2.1
149.99501	35.0
151.00165	3.5
152.00946	2.0
152.99411	3.8
164.22125	1.2
165.01672	1.5
167.03281	3.2
168.00566	59.4
169.01338	15.2
170.01630	1.1
171.10107	3.7
172.46883	1.1
197.11537	1.1
211.13214	3.3
241.01044	2.3
291.19440	1.4
292.41928	1.1
301.06110	1.3
327.21747	7.0
350.97946	1.2
463.16000	1.7
481.17401	9.5
643.21881	100.0
644.22644	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	9.8
61.98706	0.8
63.02290	0.9
65.00188	1.1
65.30215	0.7
66.58474	0.7
67.01745	1.1
69.03316	0.8
71.01252	7.6
71.58258	1.3
71.62802	0.6
73.02825	0.8
78.95785	4.3
78.96165	0.7
80.96391	3.4
81.95226	0.8
82.96004	1.6
83.01252	1.3
85.02830	4.0
89.02325	4.2
96.95883	3.9
96.96855	1.5
99.00800	1.1
101.02335	2.3
107.01279	1.6
109.02850	5.1
111.19040	0.7
113.02348	2.1
119.03418	1.2
119.04842	1.0
119.08507	0.8
121.02853	1.4
121.10175	0.9
122.03561	0.8
123.00763	0.8
123.04408	1.2
124.01546	1.4
125.02335	2.2
134.03671	1.0
135.04414	1.7
136.01556	1.2
136.40849	0.7
137.02347	27.9
139.03908	1.0
148.01698	0.9
149.02324	1.3
150.03133	2.4
151.00305	11.1
151.03976	3.6
152.01022	2.2
152.04720	1.2
152.99503	3.0
153.18561	0.8
162.03163	1.3
163.03960	1.4
164.01039	3.4
165.01852	100.0
165.05515	2.6
166.02635	13.8
167.03386	2.3
169.01392	1.2
171.10173	2.1
174.12350	0.7
175.03915	2.1
175.92191	0.8
177.01880	1.9
177.05478	1.5
178.02638	1.5
178.99812	10.1
179.03401	20.5
179.06926	1.0
180.04204	52.9
181.04994	18.8
182.05344	1.2
184.03581	0.8
187.03995	2.4
190.02615	1.3
191.03474	0.9
192.04196	1.1
193.05052	1.5
194.05774	4.1
195.02867	2.5
195.06563	64.9
196.06906	3.0
197.11809	1.7
201.11349	0.8
205.05055	4.1
207.06523	1.6
209.11845	1.1
210.05280	10.0
211.13350	2.7
220.07349	2.8
225.00523	0.9
225.07645	44.6
226.07881	3.5
229.14391	1.1
241.01138	2.4
300.02716	1.5
315.14444	1.3
327.21695	2.7
329.16394	1.1
341.14087	1.1
359.11227	1.6
367.11758	1.5
384.12195	0.9
387.10739	2.1
387.14969	5.4
388.14813	0.8
395.74316	0.8
402.13022	1.4
403.13858	1.8
417.15601	22.4
418.15945	2.1
511.16183	2.7
517.17120	1.8
543.56616	0.7
565.19348	3.3
569.61963	0.9
580.19415	1.8
595.21875	31.1
596.22009	4.5
640.94733	0.7
643.19135	1.1
643.28455	19.5
643.38379	1.6
644.28265	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	643.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64582	0.7
57.03310	1.1
57.72108	0.7
59.01253	12.6
64.91583	0.7
69.03329	1.2
71.01251	9.6
72.99172	1.3
73.02834	3.1
80.96410	2.4
81.03352	2.6
83.01251	1.1
85.02821	5.4
87.00755	1.6
89.02337	2.8
90.87193	0.8
93.03357	1.6
95.01275	3.3
98.20579	1.9
99.00726	1.2
101.01746	0.8
101.02345	3.4
108.02056	79.9
109.02851	47.8
110.03185	1.5
113.02332	2.8
119.04929	1.8
119.08546	2.1
121.02844	7.1
123.00797	2.0
123.04447	0.9
125.02330	1.2
134.03648	1.1
135.04439	1.2
150.03204	0.8
151.03902	1.4
152.01065	100.0
153.01852	32.0
154.02211	1.0
163.03961	2.2
163.07571	1.2
165.01849	2.2
165.09099	0.9
166.99855	0.8
179.03426	0.8
297.06195	1.2
300.02518	1.0
301.03229	1.5
315.07321	5.7
408.10748	1.2
451.16150	1.7
461.14667	2.1
463.16104	6.1
464.16299	0.9
481.16611	1.0
580.13495	1.6
613.21252	9.8
625.21362	54.7
626.21753	7.1
643.22345	79.1
644.22644	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	643.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50489	1.2
59.01261	1.4
62.42250	1.0
68.93523	1.2
70.93135	2.9
71.01230	2.1
73.02816	2.1
76.87387	1.0
78.95774	2.7
113.91119	1.2
122.12609	1.2
152.99495	2.8
162.05983	1.1
183.13834	1.4
211.13347	24.0
212.13704	1.9
213.14948	17.1
253.09189	1.3
272.52585	1.2
334.07544	1.6
452.11258	3.6
453.11691	1.9
473.17957	1.4
481.11099	1.6
495.13217	1.5
496.14197	4.7
508.17676	3.3
510.15363	8.7
511.15955	12.5
512.16443	3.4
523.19940	2.6
538.15271	5.8
539.14978	1.7
544.18787	2.4
555.23730	1.3
567.19122	2.8
570.17828	1.8
571.18341	2.0
579.49323	1.3
583.18207	4.9
584.18738	1.4
590.19672	1.4
643.20465	100.0
644.20642	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	643.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48935	0.7
67.57667	0.6
73.02814	0.9
78.95765	1.0
98.20568	2.7
106.02317	0.7
192.24196	0.7
211.13486	1.7
212.13710	0.8
254.45863	0.7
346.03809	0.8
452.10971	1.2
453.11728	1.3
455.17102	1.9
459.16974	1.0
464.14993	1.1
465.15317	1.2
466.16608	0.8
467.13574	1.3
469.18665	1.4
471.83206	0.8
479.17303	1.5
480.18170	1.3
481.11282	1.5
481.19263	1.6
482.12015	1.7
483.20166	1.0
488.16833	1.5
495.13223	1.0
495.16794	0.8
496.13495	6.2
497.14816	3.2
507.17032	3.3
508.17404	4.1
509.18036	1.0
510.15198	5.6
511.15952	13.1
512.16168	3.9
513.17993	2.5
523.20343	4.3
524.20538	1.0
525.17212	1.1
528.16376	1.1
538.15222	3.2
539.15533	0.9
540.16736	2.3
542.14606	1.4
544.16437	4.8
545.19934	0.8
553.17059	2.3
567.19183	1.7
570.17627	2.4
571.18469	6.7
572.18896	1.7
583.18396	2.6
584.19293	1.0
643.20520	100.0
644.20813	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.0
59.01253	9.6
59.58010	0.4
61.98703	1.4
65.64227	0.4
68.99689	0.4
69.03343	0.8
70.01928	2.4
71.01259	11.6
71.04894	0.9
72.99206	1.0
73.02839	2.4
75.00741	0.4
80.96373	1.0
81.03345	2.0
83.01269	1.1
85.02822	7.9
87.00764	0.9
89.02320	4.1
93.03336	1.4
95.01276	3.4
96.95888	2.0
97.02828	1.0
99.00768	1.5
101.02328	5.1
107.04945	0.5
108.02060	71.7
109.02850	56.1
110.03192	1.8
110.42621	0.4
113.02327	4.7
117.01657	0.5
119.03404	1.4
119.04942	2.6
121.02877	1.3
121.10148	0.8
123.00780	2.2
123.04429	1.1
125.02351	0.8
133.02852	0.7
134.03607	1.1
134.06017	0.5
135.04425	0.7
137.02304	0.5
139.03902	3.2
149.30737	0.4
151.03911	1.4
152.01068	69.3
153.01854	43.2
154.02222	1.3
158.98900	0.4
161.02327	0.6
161.04463	1.3
163.03926	1.8
165.01828	1.0
165.09116	0.5
167.10716	1.0
175.04048	0.6
193.05038	0.4
195.02943	0.5
315.07208	2.7
322.13132	0.5
345.15607	0.9
463.16049	0.8
465.17639	8.1
466.17682	0.8
488.67657	0.4
507.55646	0.4
599.19037	0.9
643.22498	100.0
644.22845	13.8
674.26074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01787	0.9
55.01737	1.4
56.88321	0.9
57.03326	8.2
59.01242	8.8
59.69215	1.1
67.01730	1.7
68.99696	1.6
69.03323	6.6
69.34125	10.9
71.00889	1.9
71.01254	21.8
72.86169	1.0
72.99162	2.0
73.02821	13.3
75.00734	1.3
78.95773	1.1
81.03362	1.8
82.53299	1.0
83.01261	4.9
85.02826	62.0
87.00751	100.0
88.01082	2.1
95.01265	8.2
97.02831	31.3
99.00748	2.2
101.02345	1.0
103.03901	10.7
109.02830	2.9
111.00738	2.9
113.02331	44.9
115.00259	13.1
115.03895	1.5
116.76678	1.0
125.02301	1.5
129.01804	2.7
139.00259	2.9
157.01321	10.9
173.04419	3.4
175.02399	62.7
176.02730	1.6
191.05396	1.1
217.01349	1.2
217.03455	20.5
218.03815	1.6
233.61145	1.0
242.79221	0.9
244.95844	1.0
303.07175	19.0
304.07553	1.5
321.08255	7.7
437.09714	1.1
479.10397	8.2
497.10989	1.5
539.12543	14.8
540.13013	1.3
625.16125	7.2
643.17291	19.3
644.17798	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	643.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14492	2.1
55.01778	3.2
57.03330	9.3
59.01254	8.1
69.03333	7.0
69.29846	2.1
69.87818	7.9
69.88229	5.4
70.18304	2.0
71.01253	18.2
73.02843	12.5
83.01247	3.9
85.02829	58.3
87.00760	100.0
88.32162	2.2
89.07940	2.2
91.48605	2.4
95.01257	9.8
97.02845	29.5
98.19895	2.6
99.00770	2.5
101.70209	2.1
103.03896	10.7
108.02059	3.7
109.02822	2.5
111.00736	2.1
113.02341	46.6
115.00253	12.3
115.03928	2.5
145.11382	2.1
157.01373	10.2
173.04523	2.8
175.02417	74.8
217.03499	25.9
303.07281	24.9
315.07364	3.7
321.08224	7.4
479.10413	9.0
511.42670	2.5
539.12555	17.5
625.16333	8.6
643.17365	24.2
644.17358	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
59.00993	0.8
59.01252	11.4
63.02252	1.6
65.00188	2.3
66.88099	0.6
69.03325	1.0
71.01260	9.8
72.01593	0.7
72.99189	0.9
73.02815	3.7
78.95739	0.9
79.95599	1.4
80.96395	3.4
81.03330	0.9
83.01249	1.8
83.04912	1.0
85.02828	5.8
86.03163	0.8
87.00761	1.6
89.02305	2.5
93.03340	1.1
94.97952	0.8
96.95884	2.1
96.96820	0.9
97.02816	1.0
99.00800	1.6
101.02306	3.3
103.03904	1.2
104.78017	0.6
107.01263	5.0
108.02074	2.0
109.02839	2.1
113.02331	1.5
121.02850	3.2
121.10115	2.5
122.10412	0.8
135.00812	1.0
148.01627	1.2
148.07547	1.1
149.02348	0.8
151.00272	17.7
162.05504	1.0
163.00299	3.8
163.11092	0.7
164.01097	1.0
164.98601	0.7
165.01733	0.8
165.09081	1.1
165.12691	0.6
165.70062	0.8
167.10608	0.8
169.01337	1.4
178.99782	10.6
180.62221	0.8
183.04469	1.2
183.13840	2.9
190.99919	0.7
197.11781	10.9
199.03905	1.4
201.05464	0.7
201.11209	3.9
207.10214	0.8
209.11789	9.4
211.03957	2.1
211.13361	9.8
212.13693	2.2
213.15076	3.4
215.03442	1.3
223.13327	3.0
225.00760	1.4
226.02638	1.1
227.03474	3.3
227.12830	2.0
229.05148	1.1
243.02986	10.3
244.03516	0.8
245.04512	2.1
253.06299	1.7
253.09578	4.2
254.02184	1.6
255.02965	27.6
255.11398	0.9
256.03348	1.2
266.06949	1.2
267.07599	1.8
268.12027	0.9
269.12775	1.1
271.02478	54.1
271.14395	1.5
272.02948	5.0
273.03970	2.0
279.07684	0.8
280.08453	1.6
281.09280	3.8
283.02368	3.4
295.10934	5.3
296.11560	3.0
297.12222	1.4
299.02005	5.5
300.02744	69.5
301.03506	100.0
302.03857	8.3
328.10736	0.8
329.16037	2.6
330.16443	2.8
331.16370	0.8
338.08185	0.7
339.09604	1.9
432.07019	1.2
471.15530	2.2
509.93869	0.6
567.26300	2.7
599.27539	1.9
611.25189	7.7
612.25397	1.5
625.19348	4.4
642.32166	6.8
643.20337	27.8
643.32031	10.7
644.20483	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	643.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.4
57.03317	5.9
59.01247	6.5
68.98251	2.7
69.03324	6.5
70.48540	8.4
71.01250	20.2
73.02821	12.9
83.01272	6.2
85.02825	59.3
87.00756	100.0
88.01100	3.4
93.61504	2.3
95.01289	7.8
96.95877	2.4
97.02844	27.4
97.74166	2.3
103.03893	11.0
109.02870	2.4
111.00755	2.6
113.02335	42.0
115.00247	12.0
157.01353	8.5
175.02397	64.9
176.02771	2.7
217.03473	26.8
258.92334	2.3
271.44479	2.2
303.07144	21.8
321.08276	7.3
479.10345	8.4
522.35144	3.0
539.12427	13.7
540.13220	2.8
541.41772	2.4
579.65063	2.7
604.12769	2.2
625.16479	8.1
643.17145	20.4
643.74878	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	641.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94051	0.8
59.01245	2.6
59.21014	0.8
60.73359	0.7
69.03323	6.8
69.65215	3.8
69.65632	1.9
71.01259	3.0
76.36460	0.8
89.02287	1.0
93.03353	1.0
97.02831	30.9
101.02351	2.5
111.04346	0.9
125.05969	2.1
127.52222	0.8
163.02397	1.0
165.12791	1.0
171.10268	0.9
178.02457	4.0
181.12323	1.2
183.13882	6.3
191.03223	3.6
193.12250	2.3
196.10364	0.8
206.05540	0.7
210.01350	4.3
211.13341	89.3
212.13664	6.5
219.06297	4.6
233.07918	1.3
234.08687	1.1
239.12848	1.2
253.09364	3.6
261.11081	31.2
262.11841	84.5
263.12161	6.7
291.19724	5.9
294.10910	7.0
295.10367	1.9
309.20718	13.4
310.20956	1.6
313.17886	1.3
329.16089	1.6
331.18915	100.0
332.19330	8.8
363.16898	0.9
373.13760	1.3
447.22647	1.7
572.32355	5.6
641.38977	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66976	1.0
57.03322	2.1
59.01265	6.6
59.01523	1.4
61.98707	1.4
69.03333	7.2
71.01259	4.8
71.04905	1.4
80.02539	1.5
83.04882	2.5
85.02837	1.7
87.34621	1.1
89.02319	1.8
95.04897	1.1
95.50343	1.1
96.75177	1.1
97.02834	29.4
97.06440	1.7
101.02325	3.2
107.04967	1.6
108.28008	1.0
109.06509	1.5
109.91080	1.1
111.04409	1.2
111.08070	2.7
113.02344	1.9
119.08628	1.2
123.04264	1.1
123.08015	1.8
125.09634	3.5
129.31363	1.2
135.07971	1.3
136.05215	10.2
136.94867	1.1
137.09613	10.1
148.05208	1.1
163.11227	5.3
165.12772	10.8
166.13028	1.3
171.10220	9.1
179.14320	1.4
181.12241	3.0
183.13831	7.5
190.23740	1.2
193.08400	14.0
193.12262	4.8
197.11771	2.2
207.10135	4.3
209.11806	5.5
211.13350	85.9
212.13684	5.0
219.17523	1.5
223.13347	2.2
225.11337	1.6
227.12878	5.7
233.11523	2.0
235.08174	1.7
245.19098	1.6
247.20576	5.8
248.42395	1.1
253.09326	5.4
273.18527	2.7
287.16302	1.6
291.19684	67.1
292.20010	6.5
301.17969	2.3
309.20734	100.0
310.21060	9.2
313.17880	6.8
331.19037	7.2
343.26144	1.3
359.25681	2.3
387.25336	4.8
405.26440	11.2
447.22330	3.2
641.39294	23.0
642.40131	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	641.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01730	0.2
59.01253	2.1
61.98692	0.8
69.03325	0.4
69.26140	0.6
69.26556	1.8
70.74385	0.2
71.01260	2.9
73.02819	0.5
76.79666	0.2
83.01232	0.2
85.02834	0.7
87.00743	0.5
89.02309	1.7
97.02840	0.5
99.00739	0.5
101.02330	1.7
109.06467	0.3
113.02309	0.7
115.01208	0.3
118.64833	0.2
119.03374	0.4
125.02254	0.3
137.09682	0.3
143.03458	0.3
145.04967	0.3
161.04430	0.5
165.12723	0.4
167.10695	0.2
167.14319	0.6
179.05522	0.3
181.12300	0.4
183.13837	7.0
193.12250	1.7
207.10046	0.2
209.11737	0.7
211.13345	100.0
212.13705	4.9
213.14886	0.4
220.81151	0.2
225.11319	0.9
235.08212	1.7
239.16362	0.2
243.12495	0.3
253.09241	4.4
263.88071	0.3
291.19720	0.3
309.20728	0.4
325.25192	0.5
341.23322	0.3
343.26483	0.3
364.21097	0.2
369.24487	0.5
373.96021	0.2
387.25482	1.3
405.26434	2.0
429.21094	0.4
447.22330	3.6
448.22699	0.4
609.22791	0.3
623.34387	1.9
624.34607	0.3
641.25897	0.4
641.35510	4.6
642.35907	0.7
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	Arthrichitin
Peak:m/z	Relative Intensity
54.33244	0.5
55.01749	2.4
57.03323	1.4
58.00454	2.2
59.01250	53.4
69.03314	1.7
69.37124	1.6
69.37525	4.2
71.01252	34.8
72.99177	3.1
73.02819	14.0
77.26985	0.5
79.95573	0.6
80.96389	0.6
81.02261	0.5
81.03324	4.2
83.01271	4.3
83.04887	2.6
85.02827	20.0
86.03156	0.8
87.00762	0.6
89.02310	8.5
97.02781	0.9
98.19813	1.1
99.00759	3.5
99.04397	3.1
101.02316	10.0
103.03888	6.4
109.02841	2.2
112.28461	0.5
119.03394	1.6
121.10116	14.1
127.03886	1.7
145.04951	2.2
150.15660	0.6
163.06021	0.7
163.11255	0.8
163.33565	0.6
165.09131	10.2
165.39043	0.7
167.10699	6.3
168.00546	0.6
183.10225	1.4
185.11559	0.5
211.13326	6.5
213.33638	0.6
225.00749	0.6
311.14978	4.5
329.16037	28.9
330.16324	2.5
358.49677	0.6
385.23334	0.7
477.25021	2.1
479.26630	0.8
623.33057	1.2
641.31769	100.0
642.32062	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	641.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.6
61.98698	0.5
69.03342	0.7
71.01262	3.2
71.04901	0.3
72.44155	0.3
73.02819	0.6
78.95731	0.4
83.04918	0.4
85.02830	0.7
87.00775	0.6
89.02316	1.7
89.25279	0.3
95.01231	0.3
98.20565	0.8
100.68066	0.4
101.02328	2.5
107.04906	0.4
111.08028	0.4
113.02319	1.3
119.03422	0.3
120.80525	0.3
161.04489	0.8
163.11211	0.9
165.12743	0.9
165.19574	0.3
166.01230	0.6
167.10710	0.4
167.14348	0.7
171.10237	0.7
175.46545	0.4
181.12271	0.6
183.13855	7.2
193.12308	2.1
197.11800	0.5
199.13393	0.7
205.03592	0.5
207.10143	1.2
209.11806	1.0
211.13354	100.0
212.13699	5.8
219.10004	0.6
223.13544	0.6
225.11346	1.0
230.18227	0.6
235.08194	1.4
243.12415	0.5
245.11760	0.6
245.19092	0.5
247.20695	0.9
253.09233	4.2
289.27298	0.4
291.19727	4.0
298.81454	0.4
307.19250	0.4
309.20752	8.1
310.21002	0.8
313.17953	3.3
331.18848	14.0
332.18768	1.1
369.14426	0.6
387.25439	1.4
405.26666	2.7
429.20963	0.5
447.22394	3.8
448.22522	0.4
520.96820	0.4
615.49304	0.4
623.34961	1.1
641.35400	4.0
642.36066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.0
57.03316	2.3
58.00465	3.0
59.01254	59.1
60.01581	0.6
68.99665	0.5
69.03320	1.0
70.05988	2.6
71.01256	39.6
72.99179	3.7
73.02824	16.9
73.85814	0.5
78.95767	3.9
79.95613	1.4
80.96395	2.1
81.03326	4.6
83.01266	4.7
83.04893	2.0
85.02827	21.8
87.00719	1.1
89.02326	11.3
92.41376	0.4
94.97972	0.7
96.24300	0.5
96.96848	1.4
97.02840	0.6
99.00765	4.2
99.04383	3.5
101.02327	12.9
103.03893	7.7
108.02058	0.8
109.02857	2.9
110.96303	0.5
113.02320	0.8
115.03918	0.5
119.03411	2.7
121.10127	14.4
122.10445	0.7
124.51358	0.5
125.02370	0.7
127.03886	2.0
139.11267	1.2
145.04958	3.1
152.99525	3.6
163.06009	0.6
165.09145	8.4
167.10713	3.7
171.10223	0.9
177.09096	0.6
183.10184	1.8
183.13780	0.8
195.10207	1.8
207.10312	0.8
209.11787	2.7
211.13371	16.3
212.13673	0.6
225.11328	0.9
235.08308	0.6
241.01086	1.5
253.09351	0.9
266.21552	0.5
285.03983	0.6
285.16986	0.7
286.17996	0.5
290.78931	0.5
311.14972	4.1
315.04904	0.9
329.16064	39.3
330.16519	3.7
401.17892	0.7
471.15396	1.4
477.25195	2.9
490.55969	0.6
493.92239	0.5
540.19012	0.6
555.17993	0.8
610.96039	0.5
623.23932	0.6
641.31866	100.0
642.32263	20.0
642.41431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.5
57.03326	2.4
58.00464	3.1
59.01253	51.2
61.98702	2.2
63.57887	0.8
66.31566	0.8
69.03329	1.9
69.35007	7.5
71.01257	43.0
71.04890	1.9
72.01599	0.9
72.38779	0.7
72.99200	4.5
73.02818	15.6
75.00746	1.9
78.95781	8.9
79.95612	3.1
80.96401	5.1
81.03336	3.3
83.01263	5.1
83.04926	2.6
85.02825	20.1
87.00771	2.0
89.02316	13.4
94.97995	2.2
95.01274	1.2
96.71472	0.7
96.96818	1.6
97.02827	1.4
99.00764	4.6
99.04428	2.8
101.02318	14.0
103.03902	5.9
108.02068	1.1
109.02851	2.9
113.02349	2.9
119.03377	4.6
121.02832	5.6
121.10117	10.6
125.02374	1.8
127.03908	1.9
138.01875	4.8
139.11220	0.9
145.04999	2.1
152.99515	6.2
162.03178	2.8
163.06052	1.1
165.09129	9.1
167.10710	2.9
167.14305	0.8
171.10173	1.6
177.05527	1.8
178.99765	0.9
181.08624	1.9
181.12215	1.2
183.10286	1.9
183.13812	9.9
193.12305	2.2
201.11258	1.5
207.10239	1.9
209.11871	3.3
211.13335	100.0
212.13680	5.5
213.14981	1.1
225.00751	2.0
225.11259	4.8
227.12883	2.0
241.01125	4.0
249.18628	1.1
253.09334	3.8
275.16553	1.3
293.17719	2.5
300.02881	1.3
311.15018	4.2
315.05099	1.6
325.20300	1.4
329.16083	31.6
330.16528	2.5
447.22418	3.2
471.15695	2.6
477.25150	0.9
479.26563	1.2
623.34155	1.1
635.47388	0.8
641.32092	99.3
642.32568	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	641.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.8
57.03312	3.8
59.01253	36.5
67.39008	1.0
68.99664	1.1
69.47750	6.5
69.48158	1.9
71.01256	20.0
72.99176	4.4
73.02817	4.7
75.00356	1.4
75.00752	16.7
80.96377	0.9
83.01248	4.7
85.02824	27.6
87.00768	5.5
89.02299	2.6
93.84634	0.9
95.01255	3.6
98.19833	2.3
99.00762	8.5
101.02325	6.9
103.00256	1.2
108.02056	1.7
111.00771	1.6
113.02333	23.5
115.00259	3.9
117.01848	1.4
125.02375	1.4
129.01871	1.2
152.01042	1.9
175.02400	3.4
207.55022	1.1
228.29977	0.9
234.57895	1.1
330.62057	1.0
391.26752	1.6
405.24887	1.7
447.26105	1.3
465.27008	30.9
466.27460	2.7
581.27740	2.1
623.29248	4.2
641.30237	100.0
642.30481	12.8
643.13977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83317	0.2
51.83873	0.2
54.57010	0.2
57.03326	0.5
59.01254	1.7
61.98708	0.3
65.00193	0.2
67.05405	4.8
68.99713	0.2
69.03330	1.6
69.36226	1.6
71.01258	2.4
72.99179	0.7
73.02818	0.6
75.00751	0.4
78.95766	0.3
79.95614	0.3
80.96402	0.9
81.03341	0.2
81.06985	0.4
83.01256	0.3
85.02831	1.3
87.00742	0.5
89.02325	0.8
95.01293	0.3
96.95905	0.5
97.02821	0.3
98.20456	0.4
99.00768	0.7
101.02328	0.6
102.37381	0.2
107.01286	0.3
109.02829	0.3
109.06465	0.3
110.00050	0.2
111.00794	0.2
111.04411	5.4
113.02345	3.5
115.80942	0.1
116.92714	0.4
119.03386	0.2
119.04934	0.3
121.02849	0.4
121.06448	0.4
123.04435	0.3
125.02340	1.2
128.03401	0.3
132.01910	0.2
134.03664	0.5
134.97472	0.2
135.08049	0.3
137.02304	0.5
137.09596	0.8
139.03891	0.2
141.98917	0.2
143.03407	0.4
143.04541	0.2
149.02446	0.3
151.00298	0.9
151.03922	0.4
152.00922	0.2
153.01851	4.6
160.01570	0.5
161.04503	0.6
163.03932	0.3
164.98526	0.2
165.05495	0.2
167.03416	0.2
168.04204	4.3
174.01590	0.3
175.03917	0.4
178.99821	0.4
180.04156	0.4
180.58917	0.2
181.08636	100.0
182.07365	0.3
182.08980	4.5
183.06544	4.0
193.05009	0.3
199.04036	0.2
203.05597	0.4
205.04962	0.2
211.13385	0.8
217.04851	0.2
241.01411	0.5
242.02132	0.2
243.03006	0.5
245.00833	0.2
255.02983	0.4
270.01599	0.6
271.02438	1.5
275.07861	0.2
285.04138	0.3
298.01355	0.2
299.01947	3.1
300.02560	1.1
301.03625	0.9
306.07764	0.4
387.13321	0.3
395.77933	0.2
459.15225	1.4
461.07339	2.4
462.07697	0.6
479.09940	0.3
479.16129	0.2
641.14978	0.4
641.24841	1.9
642.25946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.9
59.01260	9.0
61.98698	3.0
63.96102	1.2
65.00195	1.0
69.03333	1.2
71.01254	13.2
71.57858	0.9
72.99190	1.3
73.02814	2.8
75.00749	1.9
78.95789	1.6
78.98481	4.6
79.95615	15.4
80.04939	1.4
80.96397	59.7
81.03345	1.6
83.01263	1.1
85.02849	5.3
87.00751	3.3
89.02318	3.4
94.97967	14.8
95.01283	1.1
96.95933	1.2
97.02822	2.1
99.00755	1.8
101.02322	6.5
102.17627	0.7
104.85790	0.7
106.06519	7.8
106.97956	2.6
108.04453	4.7
108.08047	0.8
113.02322	2.2
116.92726	1.6
119.03422	0.8
119.04955	1.7
121.02854	1.4
122.97509	4.8
123.04389	1.5
124.07571	2.8
125.02333	4.3
127.03937	0.9
129.01846	0.9
132.04443	1.0
134.03665	1.4
134.06012	2.9
134.97496	5.0
136.07584	9.0
136.99033	1.6
145.02953	0.8
146.97464	1.0
148.99051	6.5
149.02385	1.1
150.05510	2.5
151.00270	1.6
152.07045	1.4
152.98517	6.1
152.99568	1.6
160.01588	1.0
160.03998	6.6
161.04425	1.2
163.03975	1.0
164.98557	9.7
167.00130	1.1
167.03403	1.9
168.06583	0.8
171.10185	2.9
174.01598	5.7
175.02373	1.0
175.03860	1.7
176.07083	1.2
178.05032	2.6
181.94887	0.9
182.99573	1.7
191.03386	1.7
193.12132	1.0
201.11130	1.1
205.05069	0.9
206.99670	3.6
209.11868	1.2
211.08733	1.4
211.13380	12.1
221.76694	0.7
225.00720	17.4
226.71338	0.9
227.03447	1.0
227.11830	1.5
241.01199	0.8
241.09764	2.6
242.10332	0.9
243.01970	1.5
253.09727	3.1
255.02962	0.9
255.11415	1.9
257.12961	27.3
257.15689	1.4
258.13181	1.4
267.11566	1.4
269.12915	3.3
271.02408	1.5
295.10849	3.1
299.01575	1.7
299.04419	3.3
299.10242	0.9
300.02643	1.6
301.03473	1.2
313.11908	6.8
315.01419	1.9
329.16025	2.1
364.16763	1.2
390.18210	1.4
392.19815	1.9
436.18808	22.0
437.18967	3.3
461.07239	1.9
462.20267	1.6
597.23572	52.5
598.23840	8.3
640.34943	1.1
641.28455	100.0
642.28876	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	641.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.7
57.77655	1.2
59.01255	12.5
61.98431	1.4
61.98696	6.9
66.43699	1.0
67.01792	1.6
67.96638	1.4
68.99699	14.1
71.01260	9.7
73.02821	2.2
78.95803	1.8
80.96401	5.2
81.03336	3.2
83.01257	4.0
85.02834	3.7
87.00755	2.1
89.02350	4.4
93.03347	3.1
93.43296	1.0
94.97994	1.1
95.01263	3.7
97.02838	2.1
98.17448	1.1
99.00783	2.4
101.02340	4.3
105.03401	1.4
109.02851	5.5
113.02336	3.2
119.03337	1.5
119.04939	3.2
120.02143	1.4
121.02854	3.9
121.45866	1.0
123.00775	11.7
123.04416	5.7
124.01556	1.5
125.02363	14.7
126.60633	1.2
134.03639	2.3
135.04453	2.0
136.05173	1.5
137.02354	9.6
138.03152	24.8
139.03928	5.7
147.00700	1.7
148.98921	1.2
149.02377	6.0
151.00296	9.6
151.03876	2.4
153.01878	12.8
153.05490	30.1
153.06693	2.2
160.01582	4.7
161.02335	3.2
162.03276	1.3
163.00299	4.6
163.03932	1.3
165.01860	13.2
166.02640	22.5
167.03423	12.8
168.04207	53.4
169.04539	1.4
171.10201	2.3
175.00294	10.5
175.03937	4.6
176.01083	28.4
177.01866	19.3
177.05486	1.6
178.02649	11.2
179.03368	2.9
180.04199	4.2
181.04994	21.3
181.08711	1.8
183.13815	2.3
190.02567	1.8
191.03456	32.3
192.04233	35.4
193.01375	25.7
193.04994	21.0
194.05519	1.7
195.06592	2.2
197.04498	2.5
199.09778	1.3
205.05025	1.6
207.06573	48.3
208.03722	37.5
208.06844	2.2
209.04497	8.2
209.11780	3.4
211.13336	30.9
223.06093	100.0
224.06509	7.7
225.00693	2.6
225.07629	2.5
238.04794	3.8
253.09335	1.8
255.03056	1.9
273.07718	16.8
300.02884	1.6
378.36581	1.2
386.21469	1.3
387.10876	4.2
402.13147	3.7
417.15588	14.2
479.26474	3.4
479.33182	2.1
611.21436	1.8
641.21826	32.7
642.22986	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85606	0.4
57.03315	0.7
59.01261	4.0
61.98683	0.5
65.00207	0.8
67.05403	3.9
69.03333	1.2
71.01251	3.0
72.99157	0.6
73.02806	0.9
75.00745	0.7
78.95776	0.5
80.96381	1.0
83.01228	0.4
85.02849	2.1
87.00741	0.7
89.02349	1.4
93.03327	0.5
94.53335	0.4
94.54778	0.4
95.01287	0.5
98.20569	0.7
99.00751	1.4
101.02313	1.3
101.03866	0.5
107.01284	1.1
109.02847	0.9
109.06455	0.4
111.04408	5.6
113.02324	3.5
116.92737	1.5
119.04968	0.4
121.02798	1.3
123.04384	0.7
124.01489	0.7
125.02328	1.5
128.03418	0.6
135.04422	0.6
135.08046	0.5
136.01549	0.7
137.02307	0.5
143.03476	0.5
145.02885	0.8
149.02356	0.5
151.00296	5.1
151.03941	1.2
152.00963	0.6
153.01839	4.3
155.04947	0.4
157.05070	0.4
159.04404	0.7
161.02338	0.7
161.04437	0.6
163.03931	0.6
168.04195	4.0
169.01324	0.5
171.04407	0.4
174.01627	0.6
175.03862	0.7
178.99777	1.2
181.08624	100.0
182.08977	4.0
183.04398	0.9
183.06583	3.8
186.67882	0.4
187.03963	0.9
187.49652	0.4
189.01866	0.4
190.02611	0.9
199.03943	2.5
199.46941	0.5
203.03551	0.5
203.05487	0.5
205.04987	1.0
211.03935	0.5
211.13365	2.2
214.02663	1.0
215.03423	1.2
225.00648	0.6
227.03447	2.8
231.02888	0.5
241.01396	4.2
242.02171	2.0
243.02972	5.8
245.00935	2.5
255.02934	4.5
270.01675	6.6
271.02451	14.8
272.02954	1.1
298.01147	3.5
299.01962	37.3
300.02643	11.0
301.03488	5.6
306.07510	0.9
313.03543	0.9
341.02951	0.5
459.15182	0.9
461.07254	27.6
462.07895	8.7
463.08838	1.5
479.09909	3.2
479.17276	1.0
489.10400	1.5
611.13794	0.8
641.15027	3.3
641.26074	2.8
641.36554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	17.7
61.37295	1.7
62.19393	1.5
64.12122	1.4
65.00206	6.7
71.01256	18.0
71.27917	1.5
71.57106	1.8
72.99191	5.7
75.00744	6.7
83.01266	3.2
85.02830	10.9
87.00742	8.4
89.02321	5.9
93.03356	3.6
95.01266	7.7
96.95922	1.6
96.99197	2.3
97.02833	2.6
99.00755	7.1
101.02327	4.9
103.00222	2.1
106.00460	2.3
107.01257	6.5
108.02067	2.3
109.02839	6.7
110.00022	2.6
111.00782	8.9
113.02364	11.5
119.03455	1.9
119.04887	3.4
121.02866	3.3
123.00756	6.1
124.01571	3.3
125.02338	5.1
126.53374	1.5
132.02007	1.7
133.02859	3.7
134.03696	2.0
135.00807	1.8
136.98730	1.8
137.02342	1.8
139.00298	9.7
141.01851	2.0
143.04880	2.5
145.02814	2.3
148.01541	3.0
148.26787	1.4
149.02332	4.6
149.99522	4.3
150.03122	7.7
151.00272	21.0
151.03716	1.6
152.01013	6.8
153.01865	5.1
154.99788	4.7
159.04410	6.4
161.02318	6.6
163.00327	4.3
163.03922	3.1
163.11076	2.1
164.01070	3.6
164.98221	3.5
165.01797	2.6
165.05449	5.7
165.98935	3.8
166.99812	3.9
168.00536	3.4
171.04451	3.0
173.02385	3.1
175.02434	2.0
175.03908	7.1
176.01045	3.0
177.01871	3.0
177.99011	5.2
178.99780	21.4
179.03407	1.9
180.06717	2.1
181.12250	4.6
183.03003	1.8
187.03902	9.1
189.01877	7.8
190.02431	2.0
190.99876	2.0
191.03368	3.4
193.01382	3.4
193.04994	2.7
194.99272	3.2
195.06606	2.6
197.02324	1.9
199.03932	2.9
199.13342	3.7
201.01888	3.3
202.02597	3.5
203.03465	12.2
205.01361	2.6
207.10219	8.4
209.00891	3.2
213.01854	3.7
214.02571	2.1
215.03445	12.2
217.01314	3.8
219.02959	3.9
220.03212	1.6
225.11247	11.5
229.01363	5.9
230.02118	2.8
231.03082	8.3
232.03763	13.3
233.00774	2.9
233.04349	3.2
241.01424	2.3
242.02145	3.0
243.02963	18.4
243.12505	8.3
244.03421	1.9
245.00870	3.2
249.06113	3.7
257.00940	3.7
258.01611	3.4
259.02380	14.1
260.03198	5.5
267.07230	3.0
269.00870	2.9
270.01581	2.0
271.02496	29.1
272.03027	2.8
275.02179	1.8
286.01215	5.3
287.01984	38.9
288.02673	13.2
289.03503	3.1
297.00452	7.4
299.02008	13.4
300.02713	4.2
301.03473	3.7
303.01459	3.7
304.02182	3.3
314.00699	9.6
315.01468	100.0
316.01886	9.7
317.03070	4.3
332.01678	23.6
333.02286	6.6
342.72714	1.8
375.09409	1.7
391.72818	1.8
489.12149	2.2
497.67130	1.8
501.12769	4.4
505.11926	4.0
541.15521	6.4
569.15344	3.2
595.13159	2.5
597.21222	3.6
613.13757	3.0
623.12219	11.3
623.25916	2.9
641.13538	25.2
641.26495	25.6
642.13263	3.6
642.26801	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	641.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.1
60.38219	1.4
63.02251	2.3
65.00191	5.8
65.54700	1.4
69.27628	17.0
71.01256	9.5
71.19745	1.3
72.99169	2.4
73.02810	2.4
75.00754	3.3
75.60875	1.4
83.01258	4.9
85.02824	2.7
87.00766	3.1
89.02329	4.5
93.03350	2.0
95.01260	4.8
96.95869	2.6
97.02828	2.8
99.00755	5.2
101.02324	4.9
106.00460	2.8
107.01276	6.5
109.02835	19.3
110.00052	1.7
111.00751	5.8
112.96393	1.6
113.02337	4.3
116.99434	1.4
117.03365	1.6
121.02835	2.2
123.00813	8.4
123.04433	1.8
124.98705	3.1
125.02331	4.6
133.02846	2.1
135.00774	2.5
137.02342	5.5
139.00287	8.1
141.01820	1.5
143.04950	2.9
145.02809	2.3
148.01596	3.2
149.02316	4.3
149.99519	2.3
150.03136	2.0
151.00290	21.6
152.01025	4.2
153.01826	4.6
154.99760	1.8
155.04979	2.2
159.04434	5.4
161.02364	4.4
163.00276	2.5
164.01131	1.6
164.98210	1.8
165.01926	2.4
166.99857	2.1
168.00452	3.0
169.01343	5.2
171.04424	4.4
175.03893	4.5
177.01793	1.7
177.98943	7.1
178.99791	29.4
179.03484	1.7
180.00189	1.8
181.01399	6.8
181.12270	3.9
185.02350	1.9
187.03922	5.6
189.01881	4.2
190.99637	1.4
191.03328	3.0
192.00526	2.0
193.01385	4.1
194.99216	1.9
195.06493	1.4
198.03094	1.6
199.03923	5.0
199.13309	5.0
201.01888	3.6
202.02774	1.7
203.03471	11.4
204.04141	2.1
205.01329	3.4
206.99332	4.4
207.02728	1.9
207.10263	4.8
209.00861	6.0
213.01875	2.4
214.02643	2.8
215.03491	7.0
217.01323	2.7
217.04993	1.9
219.02834	2.1
222.98763	1.8
225.11292	10.7
227.03435	4.0
229.01247	2.3
230.02138	3.0
231.02983	8.9
232.03717	5.0
233.04524	5.5
243.03017	14.5
243.12465	3.0
245.04515	2.5
247.02495	3.5
255.03090	2.9
257.00970	1.6
258.01575	3.9
259.02466	9.4
260.03018	1.6
261.04099	3.8
269.00876	3.6
270.01810	2.0
271.02490	31.9
271.05405	1.7
272.02881	4.3
286.01242	4.0
287.01974	37.7
288.02615	8.6
289.03625	7.6
297.00607	8.1
299.01923	10.7
300.02765	7.6
301.03500	7.2
303.01349	2.5
314.00720	2.8
315.01486	100.0
316.01880	10.7
317.03021	4.0
324.17697	1.8
332.01678	10.5
333.02689	8.7
377.78186	1.6
438.75333	1.8
489.12216	2.6
495.07678	2.3
501.11884	3.3
505.11905	3.7
541.15570	2.6
595.12915	4.1
597.14911	4.2
613.13275	1.7
623.12457	13.8
623.25287	2.5
624.13147	2.2
641.13580	29.5
641.26501	18.4
642.13806	7.2
642.26666	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	639.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55275	1.5
57.03318	3.3
59.01256	26.3
64.16563	1.5
69.93395	7.7
69.93803	2.7
71.01252	22.9
72.95525	1.6
72.99157	1.8
73.02828	3.9
78.95766	4.1
83.01263	2.8
83.04911	5.2
85.02821	7.2
85.06450	1.8
85.99976	2.0
87.00740	8.2
89.02322	8.5
92.42995	2.2
97.06511	3.4
98.20512	2.4
101.02322	13.8
109.06489	2.2
111.08055	4.5
113.02322	8.3
119.03368	2.7
123.08003	2.7
125.09616	11.7
135.07990	1.9
143.03365	3.2
145.04962	2.8
146.72981	1.8
152.99513	6.2
161.04445	3.7
171.08752	3.3
171.10191	55.8
171.11638	4.2
172.10522	4.6
177.03992	1.6
183.13885	2.1
185.11732	2.4
187.14879	2.5
205.15927	4.8
209.11766	17.1
211.13344	25.3
211.15208	2.9
215.14342	6.4
221.15492	2.6
231.13855	5.7
233.13168	3.4
233.15428	45.6
234.15776	2.8
235.08253	11.5
249.14928	33.8
250.15274	2.7
251.16609	3.1
253.09274	6.3
295.10754	2.4
312.12570	1.9
331.26599	2.7
341.24673	2.2
345.25516	2.0
359.25928	4.1
367.22992	4.2
375.25336	6.8
385.23828	33.7
386.24124	4.0
393.26151	2.2
403.24902	50.2
404.25226	6.1
421.25925	16.5
422.26376	2.2
485.24170	4.0
621.32837	100.0
622.33167	19.7
639.34460	40.0
640.34235	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	639.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47977	1.5
51.88787	1.3
55.01764	1.9
55.46980	1.4
57.03325	3.8
57.27995	1.5
59.01255	31.3
65.03847	2.6
69.92710	8.0
71.01263	27.7
72.99207	2.4
73.02840	8.0
80.96404	3.1
81.03356	2.0
83.01288	2.1
83.04898	9.7
85.02843	10.0
85.06493	3.0
85.45714	1.6
87.00759	10.5
89.02328	11.2
91.05437	1.8
95.04924	1.7
97.02887	1.5
97.06491	6.3
101.02345	20.5
107.08595	1.5
109.06493	3.5
111.04432	2.9
111.08047	8.8
113.02325	10.1
119.03384	1.9
119.04927	2.6
125.02361	3.3
125.09631	16.4
133.04974	2.2
133.06584	2.0
137.09587	2.5
143.03485	1.6
145.04985	6.0
157.08383	1.5
161.04504	3.6
171.10196	100.0
172.10597	5.4
175.11230	1.6
185.11821	2.8
187.14813	1.9
197.13385	2.0
204.33833	1.8
205.15918	7.6
209.11809	21.4
211.13347	16.5
213.12955	1.5
215.14424	11.2
221.15538	4.9
223.47096	1.7
231.13875	7.4
233.15446	46.5
234.15889	4.2
235.08240	15.2
237.14989	1.9
247.16943	1.6
249.14948	40.9
250.15398	4.3
251.16508	2.4
253.09332	7.6
265.18124	1.7
323.23788	2.0
331.26578	3.7
341.21207	1.9
341.24771	8.0
359.26065	3.7
367.22919	6.0
375.25394	8.9
385.23877	37.3
386.24588	3.4
393.26978	2.0
396.58917	1.9
403.24933	67.4
404.25281	7.7
407.19446	2.6
408.18481	1.8
413.84915	1.6
421.25952	19.4
477.29068	3.0
477.35455	1.9
495.29840	2.0
611.34344	2.8
621.32849	92.6
622.33221	19.0
639.34290	53.7
640.34491	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	639.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.3
58.00479	0.8
58.27599	0.6
59.01252	10.4
60.35464	0.5
61.98696	0.9
65.21008	0.6
68.99688	1.0
69.03336	0.7
71.01257	10.8
72.99184	4.6
73.02814	2.5
75.00751	13.1
80.41831	0.6
80.96392	0.6
83.01254	0.7
83.04861	0.6
85.02340	1.2
85.02821	13.3
85.06445	1.0
87.00761	4.3
87.04386	3.3
89.02319	3.8
93.03370	1.3
95.01266	3.2
96.95896	0.7
99.00759	6.9
101.02293	1.4
103.00256	1.2
109.02829	1.3
111.00724	1.2
113.02336	11.3
113.03476	0.9
115.00240	1.8
117.01807	1.2
119.04864	1.4
123.00715	0.7
125.02338	0.7
125.09592	1.1
127.89291	0.5
128.96671	0.6
129.01877	1.2
129.09158	0.7
131.03552	0.6
131.04465	3.0
134.03658	0.6
134.92249	0.6
135.04315	0.7
136.23709	0.5
137.02339	1.0
138.04875	0.6
139.11282	1.0
147.04799	0.7
149.02423	0.8
149.06029	0.6
150.03062	0.9
151.00290	1.1
152.01021	0.9
157.12263	0.9
161.04614	0.9
163.03932	0.6
165.01735	0.7
165.05435	1.0
166.02579	1.3
171.10223	3.0
175.02448	2.9
179.03412	1.0
181.05003	2.3
183.13829	1.3
185.11761	5.4
193.03592	1.5
193.05148	0.9
195.06512	0.8
201.11288	2.9
213.11287	0.6
215.12813	1.0
229.77492	0.8
231.05025	0.9
231.10001	0.7
243.15895	4.0
249.06139	7.3
253.18036	0.9
255.16029	0.9
267.07022	0.8
271.19220	0.7
283.10898	3.3
283.19098	1.0
301.20370	1.4
359.24469	2.4
371.24396	5.1
389.25449	30.7
390.25931	3.2
417.15576	4.4
419.10498	0.8
463.24353	0.7
477.19696	1.3
482.40628	0.8
559.98340	0.7
579.30255	0.7
621.31573	2.6
639.32367	100.0
640.32617	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.5
57.03575	0.6
58.00456	0.9
59.01254	9.5
61.98679	0.8
68.99677	0.9
69.03328	1.3
69.42114	0.5
71.01256	10.9
71.45335	0.5
72.99185	3.9
73.02838	2.0
75.00745	11.7
83.01234	0.9
83.02500	0.6
83.04892	0.7
85.02826	10.6
87.00748	4.7
87.04387	2.6
89.02312	1.9
93.03342	0.9
95.01269	2.9
96.95933	0.7
99.00761	5.5
101.02323	1.2
101.05957	0.8
103.00256	1.0
109.02882	1.0
113.02335	11.0
115.00256	1.4
117.01841	1.9
119.04926	0.7
129.01852	1.4
131.04529	1.7
139.11165	0.8
139.50514	0.6
151.00302	0.6
152.01097	0.6
153.09050	0.6
157.01425	1.0
161.04688	1.5
163.03940	0.7
165.05482	1.1
166.02609	1.3
166.33499	0.5
171.10175	3.0
175.02449	2.5
177.01802	0.5
179.03389	0.7
181.05003	2.0
181.08652	1.1
183.10022	0.6
185.11748	5.3
193.03583	0.7
193.05138	0.7
195.06569	0.6
201.11263	3.0
213.15047	0.6
214.11931	0.6
215.13002	0.6
225.07787	0.8
231.05026	0.8
243.15965	3.8
245.84882	0.6
246.20665	0.6
249.06108	6.9
253.18095	0.7
255.02798	0.7
255.16028	0.6
267.07187	0.8
269.05835	0.7
271.02512	0.8
283.10843	3.3
283.19394	0.8
284.51581	0.6
301.20316	1.7
359.24387	2.2
371.24442	4.9
389.25455	27.0
390.25595	2.9
391.71695	0.7
413.36136	0.7
417.15634	5.7
463.25830	0.8
473.78275	0.6
621.31287	2.7
639.32367	100.0
640.32666	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	639.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.3
55.66476	1.5
56.87231	1.6
57.03329	3.8
58.00475	3.7
59.01251	87.0
64.42015	1.7
67.23913	1.7
69.03301	2.6
69.70277	10.4
71.01257	97.2
71.35123	1.7
72.01582	1.6
72.99167	5.9
73.02820	11.6
75.00756	2.1
81.29556	1.8
83.01245	6.1
85.02825	29.2
87.00758	9.7
89.02319	84.3
95.01308	1.7
95.81081	1.9
96.95950	1.9
99.00758	6.3
101.02322	28.9
106.87418	1.8
107.71179	1.5
107.92913	1.7
113.02330	29.5
116.85496	1.7
119.03391	19.9
121.10139	11.5
124.49618	1.8
125.02312	2.2
131.03381	11.0
132.03790	1.9
134.03625	3.2
143.03419	4.0
149.02402	1.7
149.04453	5.3
150.03111	2.6
151.00240	2.7
161.04475	5.1
165.05493	2.8
165.09090	9.5
179.05563	21.1
183.10243	2.0
211.13417	4.2
241.14452	2.9
243.02956	5.5
249.06047	2.7
259.46210	2.0
270.99719	3.5
271.02475	43.0
272.02826	4.9
299.01959	78.3
300.02679	27.9
315.01703	2.7
315.05081	51.3
315.14487	93.7
316.05179	6.2
316.14658	4.4
323.09622	3.7
341.10898	100.0
342.11179	5.2
357.15460	7.0
417.17493	2.5
462.08035	12.2
463.08856	2.1
477.10440	81.7
477.19299	4.0
478.10376	13.2
489.19876	3.5
495.65552	2.3
539.83722	2.3
639.15051	2.6
639.26038	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80733	1.0
57.03335	1.2
59.01257	26.6
61.96999	1.1
71.01258	31.8
72.99207	1.3
73.02831	3.6
75.00745	1.8
83.01274	2.4
85.02829	9.9
87.00774	4.4
89.02321	25.8
94.24819	1.0
95.01251	1.3
99.00761	2.2
101.02325	7.9
101.33426	0.9
113.02334	8.5
119.03417	6.4
119.04958	1.6
121.10126	4.3
131.03413	3.5
134.03601	1.7
143.03391	1.8
149.04477	2.1
151.00287	2.3
161.04527	2.1
165.05453	0.9
165.09102	3.8
175.21129	0.9
179.05551	6.7
204.99400	0.9
205.52591	1.0
211.13377	4.9
213.15028	1.2
225.02673	1.0
227.03416	2.0
233.28598	1.0
241.14467	3.6
243.02956	3.9
249.06062	1.8
253.09421	1.3
271.02493	39.3
272.02954	3.5
299.01981	59.3
300.02713	25.3
301.03180	2.6
313.03494	1.4
314.04230	1.5
315.05103	50.5
315.14490	35.7
316.02267	1.4
316.05530	3.8
316.14728	2.7
323.09808	1.6
341.10901	32.9
342.11285	3.1
357.15561	1.7
402.41098	0.9
447.21954	1.2
462.08014	12.3
463.08298	2.0
477.10394	100.0
478.10699	12.0
489.19601	1.3
602.58301	0.9
639.15527	1.3
639.25000	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	639.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.5
57.03312	5.0
59.01252	25.8
66.53844	1.3
67.01787	1.7
68.99677	3.0
69.03315	5.2
69.64034	1.2
70.34692	1.3
71.00894	2.3
71.01257	34.3
72.99181	10.3
73.00965	1.2
73.02812	5.2
75.00744	28.2
81.03318	2.3
83.01254	2.3
83.04893	2.0
85.02818	25.7
87.00753	12.0
88.00957	1.2
89.02306	9.6
93.03326	2.9
95.01258	9.7
97.02789	1.6
98.19814	2.7
99.00742	15.1
101.02327	7.1
103.00220	2.3
109.02814	2.9
111.00764	2.7
113.02330	29.0
115.00263	4.4
117.01803	5.0
117.03339	1.9
117.47668	1.3
119.04903	4.3
121.02837	4.6
122.03641	7.1
123.00750	2.2
123.04382	6.0
124.01529	5.3
125.02348	9.0
128.03497	1.6
129.01834	4.1
132.02089	1.9
133.02861	7.1
134.03630	54.9
135.04372	4.9
136.01495	1.8
137.02316	4.5
139.03847	2.1
145.02834	6.1
145.64072	1.3
147.04413	2.0
148.05075	1.4
149.02348	12.6
149.06017	9.1
149.99490	7.3
150.03142	41.9
151.00391	1.5
151.03967	11.2
157.01268	2.4
160.01581	9.7
161.02301	3.2
161.04433	1.7
161.19833	1.2
163.03839	2.8
164.04695	3.7
165.05495	29.0
167.03352	1.8
168.00563	13.7
169.01317	1.6
175.02385	6.1
175.03909	11.8
177.01834	1.6
178.02676	7.1
179.03342	3.0
179.07027	2.5
180.04062	1.6
181.04945	5.2
183.13733	1.4
193.03333	2.6
193.04997	32.3
195.06519	6.0
197.11725	4.6
197.67784	1.3
211.13326	12.0
213.14906	3.1
231.05003	3.9
241.14510	7.8
243.76341	1.4
249.03537	3.5
249.06122	72.4
250.06491	3.5
252.06247	1.8
253.09293	3.3
253.14407	1.6
267.07156	8.4
267.09149	2.7
271.02505	2.1
282.08890	2.0
301.03400	1.7
315.14505	2.7
316.02271	1.8
341.10461	5.4
371.11115	2.9
381.11880	4.5
389.12314	3.7
399.12814	1.8
425.10867	4.7
442.11096	18.6
443.11758	16.2
444.12222	1.7
447.05606	1.7
447.22250	2.4
457.13528	2.1
477.09964	3.1
477.23257	4.5
489.23221	1.6
491.21280	1.8
497.13052	3.7
521.22571	2.0
591.17249	5.7
603.17096	2.7
621.18469	14.4
622.18030	1.5
639.18988	100.0
640.19403	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	639.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42736	0.9
53.82614	0.9
57.03315	3.2
59.01253	21.5
67.01749	1.3
68.99689	3.1
69.03308	2.0
71.01257	26.2
72.99184	10.8
73.02831	2.1
75.00754	27.2
75.01181	1.6
81.03306	2.1
83.01246	1.9
85.02353	1.5
85.02827	23.3
87.00747	9.4
89.02313	9.0
90.45625	0.9
93.03327	3.7
95.01260	7.4
97.13128	1.0
99.00756	12.3
101.02325	1.4
103.00258	1.7
108.02050	1.3
111.00745	2.3
113.02337	25.6
115.00256	1.9
117.01797	3.3
117.03323	1.6
119.03384	1.4
121.02842	7.3
122.03598	4.0
123.04389	3.8
129.01804	3.5
132.02086	1.3
133.02843	4.6
134.02663	2.0
134.03647	40.2
135.04396	4.1
136.01424	1.1
137.02315	3.2
139.00252	1.6
147.04382	1.4
148.05168	1.7
149.02344	10.9
149.06017	8.5
150.03143	41.6
151.03934	13.1
157.01392	1.6
157.89241	1.0
160.01576	8.9
161.02296	4.0
161.05986	1.4
164.04642	3.0
165.05505	27.5
166.02617	1.0
166.05807	1.2
175.02397	2.8
175.03900	11.8
178.02643	7.9
179.03371	3.1
179.07002	2.2
180.04175	3.5
181.04984	12.4
189.04051	1.6
193.05011	24.6
194.05432	1.2
195.06575	8.9
201.94402	1.0
208.98404	1.0
211.13351	5.1
231.04910	2.2
239.07091	1.5
241.14423	2.0
249.06142	37.6
250.06433	2.7
252.06299	1.5
253.09166	1.6
253.14284	1.4
267.06714	7.3
282.08911	3.4
315.14413	1.2
327.08493	1.5
341.10416	8.7
381.11856	4.6
399.12488	1.3
415.13745	1.1
425.10999	2.2
439.12631	2.0
442.11295	8.1
443.11902	11.0
457.13358	3.3
472.44620	1.1
477.23523	1.9
497.12659	1.7
591.17261	1.4
607.16516	1.3
621.18439	3.7
639.19214	100.0
640.19812	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	639.1359
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
59.01252	14.5
59.07444	1.3
61.98700	8.2
63.02275	2.0
65.00195	5.4
69.41757	12.0
71.01261	12.3
72.99200	2.3
73.02812	3.0
75.00774	3.4
78.95800	3.3
80.96392	4.9
83.01261	5.3
85.02836	5.7
87.00769	3.8
89.02322	3.3
91.57848	1.3
93.03336	1.9
99.00788	2.0
100.44677	1.4
101.02336	5.4
107.01279	8.3
108.02042	2.1
109.02837	3.5
113.02348	3.6
119.04910	3.3
121.02843	6.9
125.02357	3.1
125.09624	1.8
135.00656	1.8
135.04460	1.8
137.02299	2.2
138.01912	2.7
149.02364	5.4
151.00287	28.4
152.99519	1.7
159.04379	1.8
160.01505	1.5
161.02351	3.3
161.04504	1.6
163.00264	4.8
163.03931	2.4
164.04721	2.8
169.01373	3.8
171.10191	2.9
174.01669	1.4
175.03893	2.8
175.65472	1.2
178.99760	13.6
180.35002	1.5
181.08757	1.4
183.10112	1.6
185.11739	2.2
187.03951	1.5
190.02602	2.4
193.04988	1.8
199.03926	1.8
205.05049	5.0
209.11749	9.1
211.04002	2.3
211.13412	7.8
223.05978	3.2
223.36285	1.3
227.03479	3.5
237.92142	1.6
243.02982	5.8
245.04498	2.6
255.02916	16.0
256.03516	1.5
271.02472	34.5
272.02991	3.5
273.04028	3.8
283.02521	2.0
299.02011	5.1
300.02744	52.3
301.03531	100.0
302.03976	7.4
315.05048	8.1
415.06989	2.5
433.08099	2.2
459.27551	2.5
461.89474	1.4
463.25446	7.1
639.13464	14.8
639.27795	6.2
639.33362	5.0
640.13812	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	639.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.1
55.65639	1.6
57.03310	6.7
58.00457	5.1
59.01253	69.2
62.15705	1.5
67.01770	2.1
68.99671	5.4
69.03309	4.6
71.01257	86.3
72.99189	12.1
73.02820	9.0
75.00746	28.1
83.01250	6.5
85.02344	3.3
85.02825	42.0
87.00752	15.4
89.02319	54.6
93.03334	5.6
93.54612	1.5
95.01284	8.3
97.39202	1.7
98.19756	3.9
99.00768	18.8
99.71331	1.7
101.02337	14.2
103.00218	2.8
111.00735	3.5
113.02341	47.1
115.00240	4.0
117.01789	4.6
117.03381	2.8
119.03372	9.0
119.04873	1.7
121.02868	3.8
121.10108	5.8
122.03640	9.3
122.04340	1.5
123.04372	2.6
129.01825	4.8
131.03368	6.5
132.02051	2.9
133.02808	7.8
134.02657	3.0
134.03636	52.9
135.04433	4.5
137.02322	4.9
138.41731	1.7
143.03348	2.0
147.04451	1.8
148.05173	3.8
149.02357	15.3
149.04395	3.4
149.05963	10.1
150.03140	67.8
151.03906	16.4
160.01587	10.8
161.02313	3.7
161.04451	4.7
164.04744	2.8
165.05501	57.4
165.09084	4.9
175.02374	4.7
175.03880	12.9
177.01910	2.4
178.02602	7.1
179.03401	2.7
179.05501	10.9
179.07030	4.0
180.04167	6.2
181.04993	12.0
184.95995	1.9
192.04236	2.0
193.05020	39.0
195.06548	12.5
211.13330	9.3
213.14888	3.5
216.67857	1.9
231.05113	2.8
241.14375	6.9
249.06142	46.7
252.06366	2.0
263.40033	1.9
267.06772	10.1
315.14496	61.7
316.14825	3.8
341.10876	66.5
342.11081	2.1
357.15433	3.2
381.11826	5.4
424.10098	2.2
433.28540	1.8
442.11154	19.7
443.12018	18.7
457.13470	4.0
477.10312	1.8
547.45770	2.0
621.18341	4.4
639.19153	100.0
640.19647	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	639.136
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
55.01747	0.6
55.41655	0.5
57.03309	1.4
59.01252	10.1
61.98688	1.2
65.00195	1.5
69.03312	0.6
69.48550	4.9
69.71496	0.5
71.00908	0.6
71.01295	9.3
72.99161	1.7
73.02808	1.4
74.02345	3.4
76.51573	0.5
78.95778	1.3
80.78383	0.5
80.96382	0.7
81.03320	0.6
82.74521	0.5
83.01250	2.2
83.04858	0.7
84.46394	0.5
85.02820	3.5
87.00739	2.1
88.98689	1.6
89.02326	3.5
90.88687	0.4
93.03326	1.8
96.95874	1.7
99.00739	1.9
99.04370	1.2
101.02334	3.0
107.01299	2.7
108.02049	2.6
109.02814	2.4
111.00756	0.8
113.02309	3.9
115.00221	0.7
116.92741	2.1
119.03385	1.0
119.04954	3.2
121.02834	3.1
124.01520	0.5
125.02306	0.9
133.02858	0.7
134.03630	3.2
135.00771	1.4
135.04398	1.5
137.02327	1.6
145.02861	0.8
148.01547	1.6
149.02353	1.2
149.09680	0.6
151.00281	11.6
152.01100	1.1
153.01881	0.8
159.04346	0.6
160.01520	2.4
161.02347	2.5
161.04436	0.9
163.00259	2.0
163.03943	3.2
164.01044	1.2
165.01799	2.0
165.05449	1.9
169.01344	1.5
174.01624	0.9
175.02510	0.7
175.03888	3.3
178.99794	5.5
179.03386	1.5
179.05386	0.7
182.34169	0.6
190.02669	1.3
191.05707	0.6
193.01430	0.7
193.04930	1.6
195.55702	0.6
199.03905	1.8
200.69574	0.6
205.05038	0.7
209.11765	2.0
211.03992	1.2
211.13310	1.5
215.03429	1.3
216.04208	0.9
216.23201	0.5
223.05978	0.6
226.02606	1.2
227.03447	3.7
235.13342	2.3
243.02945	11.9
244.03375	1.2
245.04543	1.2
253.04613	0.8
254.02165	2.5
254.64587	0.7
255.02972	30.9
256.03256	2.2
271.02466	64.6
272.02988	5.9
273.04050	0.9
283.02493	1.5
299.01910	3.8
300.02734	100.0
301.03445	36.9
302.03949	2.1
315.05008	4.7
323.07678	1.9
327.25351	0.6
329.16205	1.2
329.23398	1.8
343.04553	1.1
375.27411	1.0
424.43649	0.6
459.27448	1.5
462.26962	1.5
463.08826	51.1
463.26813	1.6
464.09106	5.3
477.10629	2.8
477.16550	0.6
521.20813	0.8
602.18427	0.6
621.32971	0.6
638.30383	1.7
639.13586	37.8
639.33551	12.2
640.13794	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	637.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12800	0.8
73.45571	1.0
78.95783	100.0
83.04892	1.4
96.96848	7.8
99.35019	1.0
101.75849	0.9
127.11195	1.1
134.98392	1.0
152.99504	57.4
165.12689	1.2
171.00615	1.2
171.10107	1.5
182.07965	0.9
201.11282	16.3
209.09853	1.8
209.11774	20.9
209.76224	0.8
210.12161	1.2
224.01328	0.8
225.55298	1.0
227.12857	2.7
255.23289	77.2
256.23560	6.8
275.52539	1.0
361.61929	1.3
363.12167	5.8
381.13211	5.9
391.22604	17.7
392.22910	1.9
409.23645	8.8
593.34656	3.3
619.36133	24.7
620.36377	3.4
637.27216	1.4
637.37195	34.9
638.37628	5.0
669.95477	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.2
57.03305	2.4
59.01253	31.0
61.21400	1.2
61.98700	3.3
65.00191	2.7
69.25443	4.0
69.25862	11.0
71.00903	1.5
71.01275	21.2
72.99186	5.6
73.02834	2.3
74.02351	9.0
75.00741	5.7
78.95773	2.2
83.01235	2.8
83.04910	2.6
84.96676	1.1
85.02827	9.9
87.00744	4.2
88.98700	1.2
89.02322	9.8
93.03321	3.1
95.01259	2.8
96.95883	3.5
99.00740	4.2
99.04404	8.8
101.02319	9.6
107.01270	2.5
108.02048	3.2
109.02809	3.4
113.02316	10.0
115.00204	1.9
116.92768	7.8
119.03391	5.4
119.04900	10.9
121.02809	2.2
123.04365	1.4
125.02332	1.9
134.03619	3.0
135.04407	3.9
135.08051	2.3
137.02362	2.4
145.02831	1.3
149.02348	1.3
151.00276	12.3
152.00929	1.3
160.01581	3.0
160.18652	1.2
161.02396	3.1
163.00232	3.9
163.03900	7.3
165.01797	2.1
165.05475	3.2
167.03352	1.9
169.01274	1.4
172.95729	1.2
174.01572	1.4
175.03894	4.0
178.99760	4.6
179.03378	2.1
181.08583	1.9
190.02608	2.1
191.03658	1.2
191.14378	2.0
192.00729	1.5
193.04977	2.6
195.06674	1.5
199.04062	1.5
203.03400	1.7
205.05026	1.5
211.03934	1.5
211.13324	2.1
226.02614	2.4
227.03452	5.1
235.13341	16.7
243.02985	14.8
253.14357	1.5
254.02118	2.3
255.00510	0.9
255.02989	24.3
256.03317	1.9
269.48087	1.4
271.02484	68.7
272.02969	7.7
273.03989	2.0
299.01990	4.2
300.02750	100.0
301.03458	42.0
302.04034	2.6
315.05112	3.2
323.07809	2.0
327.14285	1.3
439.12271	1.9
457.13565	2.0
459.27438	10.9
462.27112	4.3
463.08810	50.4
463.27249	3.2
464.09113	6.6
477.10251	2.2
530.53528	1.3
638.30853	3.2
639.13531	41.2
639.34143	28.1
640.13361	7.0
640.34283	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	637.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07080	1.0
55.01740	0.9
57.03319	3.0
59.01252	18.0
61.98701	2.8
65.03821	3.2
66.31355	0.9
69.03333	2.2
71.00897	1.2
71.01258	17.5
71.57654	2.1
72.99178	2.4
73.02817	4.1
79.95615	1.5
80.96396	5.8
83.01258	3.0
83.04903	2.5
85.02808	5.0
87.00748	4.2
89.02324	6.6
91.05421	2.8
93.03317	1.6
94.97958	1.7
95.01248	2.3
95.04892	2.5
97.02815	2.0
97.06465	3.9
101.02323	12.4
105.06979	1.7
109.06483	2.6
111.08060	1.5
113.02334	4.5
113.51988	1.0
115.05389	3.3
119.03382	1.2
123.08050	2.0
124.90051	1.1
125.02419	1.3
125.09604	11.8
133.10110	1.2
135.08055	1.7
137.09610	1.2
145.04945	1.2
148.98969	1.1
161.04453	3.6
163.11264	1.8
171.10207	6.9
183.10207	1.1
185.11768	3.9
185.13223	1.1
187.09677	2.4
187.14883	4.9
189.12540	1.2
201.12791	1.7
203.14343	1.6
205.12379	1.5
209.11769	20.2
211.13376	2.6
213.12839	7.1
213.14622	1.5
215.10693	1.8
221.15463	1.3
225.00713	2.2
231.13876	18.1
233.11819	1.8
235.08194	3.5
235.13446	1.5
247.13353	4.1
249.14896	2.2
253.09290	2.5
321.22351	1.3
339.23410	3.8
355.22546	2.3
357.24274	1.7
365.21170	2.9
373.23849	3.6
383.22302	18.6
384.22629	4.3
391.24850	2.7
401.23276	23.0
402.23615	3.4
419.24393	8.2
475.26880	1.5
609.32886	2.5
619.31256	100.0
620.31573	19.4
637.32391	32.3
638.32935	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	637.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.0
59.01255	11.2
59.01531	0.7
71.01261	10.9
71.01605	0.7
71.57912	0.9
72.99220	2.2
73.02821	5.6
75.00760	3.2
83.01298	1.0
83.04981	0.7
85.02822	4.9
87.00288	0.6
87.00736	3.0
89.02357	2.7
93.03370	0.9
95.01322	0.7
96.95936	1.7
99.00765	6.1
99.04443	0.7
101.02296	3.0
108.02083	1.3
108.04491	1.1
109.02890	1.6
113.02351	3.9
113.25448	0.6
115.00256	4.1
119.03434	0.8
119.97684	0.6
121.02850	4.5
122.03606	1.2
123.00809	1.4
123.04443	1.1
124.01585	1.2
127.03962	1.1
128.03487	0.9
131.03421	0.6
132.02081	0.8
134.03650	1.3
135.04463	1.1
136.01587	0.8
136.05219	1.4
137.02426	1.1
139.00359	1.2
143.04865	0.7
145.05038	1.4
146.03654	1.0
147.04471	2.4
149.02335	1.5
150.03120	7.3
151.03897	0.9
152.01091	0.9
152.03470	1.3
153.01723	0.6
153.05562	0.6
157.01369	1.8
158.03671	3.0
159.04428	8.5
160.01620	1.7
160.05214	30.0
161.02402	3.0
161.05981	9.4
163.03908	6.8
164.04713	5.4
167.03401	0.8
173.05971	4.2
175.02435	7.0
175.03964	3.3
175.07564	24.1
176.04732	1.0
176.07878	1.2
177.05487	6.0
178.06256	8.2
179.03458	0.7
179.06812	0.9
191.05560	1.1
192.07903	1.3
193.04984	0.7
193.08713	3.3
205.05048	1.3
209.11781	1.2
211.13376	0.8
239.12901	0.7
249.06195	2.1
255.03038	1.6
265.13794	0.6
267.07193	2.1
271.02512	3.0
277.09320	0.8
299.01971	2.3
300.02658	3.5
301.03516	2.8
302.03964	0.6
306.07788	0.7
314.11499	1.3
315.12347	3.7
329.13947	100.0
330.14294	10.2
359.15051	14.7
360.15247	1.3
447.09229	2.2
461.20242	2.0
505.09753	2.6
505.20511	1.9
506.10159	0.9
519.20837	4.7
520.14313	1.0
577.28186	0.8
619.22076	0.7
637.24750	42.7
638.25006	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	637.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82717	0.2
58.75384	0.2
59.01249	2.5
60.14197	0.2
63.22412	0.2
71.01262	1.7
72.99184	0.4
73.02831	0.5
74.02359	0.6
75.00762	0.6
78.01467	0.2
81.03334	0.2
83.04898	0.7
85.02827	0.9
87.00776	0.2
89.02326	1.0
91.05440	0.2
92.77069	0.2
93.03339	1.0
96.95856	0.3
98.47948	0.2
99.00768	0.4
101.02328	0.7
103.03891	0.3
113.02339	1.1
116.92023	0.2
116.92686	0.9
117.03368	0.3
119.04919	100.0
120.05253	3.9
121.02850	0.3
143.03500	0.2
145.05014	0.2
151.00223	0.2
161.04518	0.2
163.03922	66.5
164.04251	3.3
191.05573	0.2
195.13829	0.5
199.18121	0.2
223.06171	0.2
248.71446	0.2
299.01859	0.6
300.02744	0.2
311.15100	0.2
317.11703	0.2
329.16086	2.8
330.16528	0.2
443.33246	0.2
462.26831	0.5
473.20322	0.4
475.19327	0.2
582.06671	0.2
593.27417	0.2
632.32343	0.2
637.24701	8.7
637.43787	0.7
637.94110	0.6
638.24329	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	637.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.2
59.01249	2.7
65.75723	0.2
70.53317	0.7
71.01263	1.8
72.99163	0.3
73.02843	0.7
74.89138	0.2
75.00746	0.9
85.02813	1.6
87.00776	0.5
88.98675	0.4
89.02316	0.9
92.37483	0.3
93.03334	1.3
96.95883	0.5
99.00743	0.7
101.02330	0.8
109.02858	0.3
113.02320	1.1
118.69115	0.2
119.04918	100.0
120.05244	3.4
123.04425	0.4
125.02348	0.4
143.04526	0.3
145.02818	0.3
151.03929	0.4
163.03922	99.2
164.04265	4.3
167.03435	0.7
175.03912	0.4
177.01849	2.1
177.03203	0.5
191.05438	0.7
205.05023	0.4
209.11813	0.5
249.06204	0.4
267.07291	0.3
271.02438	0.5
299.01944	0.4
326.74484	0.3
329.16064	2.2
347.24170	0.3
376.35635	0.3
376.46667	0.3
443.11749	0.4
461.12927	0.4
489.26514	0.4
541.68280	0.3
616.30640	0.3
637.31488	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	637.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.8
64.71982	0.1
65.03844	0.1
69.56966	1.2
71.01251	1.5
72.99187	0.3
73.02811	0.4
75.00743	0.6
81.03361	0.1
83.01286	0.2
85.02836	0.7
87.00739	0.3
88.98700	0.4
89.02325	0.5
91.38917	0.2
93.03337	0.7
95.01277	0.2
98.00488	0.2
99.00766	0.5
101.02320	0.6
103.03925	0.2
112.95322	0.2
113.02307	0.8
117.03362	0.2
119.04919	100.0
120.05264	3.9
121.10153	0.2
125.39526	0.2
136.01546	0.3
137.02328	0.2
143.04640	0.2
151.03903	0.5
160.01646	0.2
163.03922	99.9
164.04256	4.1
175.03972	0.3
177.01852	2.5
191.05504	0.2
207.75169	0.2
209.11711	0.5
267.07321	0.2
271.02362	0.2
290.65649	0.2
299.02017	0.2
301.03476	0.3
329.16104	2.2
330.16467	0.2
473.20251	0.2
490.09076	0.2
505.07761	0.2
599.05096	0.2
636.35931	0.2
637.31030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33296	0.6
59.01242	2.4
65.00189	0.8
66.99348	0.6
69.54146	5.0
69.54521	1.5
71.01248	2.6
72.28975	0.6
72.99182	1.1
75.00732	0.7
76.99957	0.6
85.02814	1.5
87.00742	1.0
89.02307	1.2
96.95914	1.3
98.19792	1.1
99.00718	0.9
101.02341	1.5
107.01237	0.6
109.01558	0.6
112.46574	0.6
113.02316	1.1
116.92767	1.0
119.04910	1.4
125.02338	1.2
128.03476	0.8
134.03653	1.1
134.04604	0.9
137.02339	0.9
151.00255	2.0
162.03110	0.8
163.03914	1.0
175.03871	0.7
193.05031	0.7
195.06607	0.9
211.03813	1.0
212.04688	0.9
214.02563	0.8
218.11682	0.6
227.03484	2.6
228.04324	0.7
238.02654	0.8
239.03487	1.3
240.04201	2.3
243.03021	1.3
255.02960	4.9
256.03714	8.6
257.04449	1.0
266.02219	5.1
267.02948	1.4
267.07251	1.0
283.02463	4.8
284.03229	7.4
285.03867	1.1
294.01718	9.3
295.02399	1.5
311.01974	7.7
311.07642	1.0
312.02765	53.1
313.03351	9.1
385.05310	1.0
465.65967	0.8
474.08020	2.3
475.08789	100.0
476.09140	9.2
637.14081	30.1
637.22913	1.8
638.14008	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	636.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.2
65.00197	6.0
65.99726	7.5
69.24149	43.8
71.01258	18.9
73.02842	6.5
75.00761	7.1
83.01229	6.1
85.02828	13.7
87.00759	6.2
89.02318	7.8
93.03323	6.4
95.01257	7.5
99.00749	5.8
101.02326	4.3
107.01289	8.4
108.02000	4.0
109.02821	27.7
109.24406	3.6
113.02328	12.1
121.02839	12.4
122.13797	3.6
123.00797	7.9
124.01552	4.3
125.02341	9.3
131.03416	4.5
133.02850	8.1
134.02394	14.0
135.00757	6.3
137.02332	17.8
143.03333	5.0
147.00795	7.8
148.00453	6.9
148.01547	55.1
149.02330	17.4
151.00290	24.9
151.79306	4.2
152.01054	8.5
153.01779	5.6
158.02391	5.8
159.04469	4.7
161.02377	6.0
162.01877	33.7
163.00298	16.2
163.02655	9.0
164.01065	5.4
164.03445	8.1
166.99693	5.3
175.00246	11.6
175.02443	6.9
175.03891	6.8
176.00949	6.9
177.01866	88.0
178.99765	18.0
179.03474	5.6
183.04353	4.1
186.01894	26.5
187.02399	5.0
187.03957	5.0
190.01378	15.0
191.02148	18.7
193.01328	7.8
199.03896	8.3
202.01270	8.8
202.99826	23.2
203.01724	5.5
203.03554	8.6
204.02943	100.0
205.03320	6.1
215.03447	11.9
227.03392	9.2
230.00871	38.8
230.78949	4.3
243.03003	19.3
247.01140	5.1
255.02901	12.3
256.03687	4.9
269.04385	6.5
271.02515	45.8
272.03098	16.6
272.05804	6.8
273.03848	7.4
283.02371	5.4
284.03177	11.1
285.04013	9.0
287.01874	5.0
288.02521	7.4
294.04150	19.6
295.02301	9.0
298.01126	4.6
299.01935	72.9
300.02588	17.9
310.03625	8.8
312.02386	7.5
313.03461	18.0
314.04346	6.2
316.02197	15.0
317.02960	27.0
322.03552	69.0
323.03992	4.7
339.03873	71.9
340.00894	12.1
340.04565	73.9
345.18994	4.5
357.04733	32.2
471.11292	11.9
500.14050	66.5
501.13788	8.3
506.45761	4.5
516.15533	4.9
526.12012	63.4
527.12476	8.2
551.13892	10.9
578.12909	4.3
595.13440	4.2
618.14630	78.7
619.15033	16.2
625.35065	4.5
636.15424	77.9
637.15851	16.4
641.91162	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	635.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03335	2.1
58.00460	0.7
59.01254	10.3
63.47041	0.4
67.01776	0.6
68.99693	0.7
69.03307	0.9
71.01257	12.3
72.99174	5.0
73.02821	1.9
75.00749	12.9
81.03305	0.7
83.01265	0.9
84.02062	0.5
85.02829	14.0
87.00750	4.2
87.04395	1.3
89.02315	3.2
93.03321	0.9
95.01265	3.9
95.92760	0.4
97.02814	0.6
97.06470	0.4
99.00755	7.4
99.04413	0.5
101.02328	0.8
103.00257	0.8
111.00775	0.7
113.02339	13.0
115.00253	1.3
117.01817	1.3
119.04945	1.0
120.09924	0.5
129.01836	1.6
129.87160	0.4
139.11154	0.7
141.12741	0.6
141.51268	0.4
143.04607	0.4
153.12770	0.5
157.12259	1.2
163.03955	1.2
165.12779	0.4
169.12245	1.6
171.10184	2.2
175.02412	1.5
185.11755	1.6
201.11345	0.4
215.12833	1.2
231.05098	1.1
249.06161	8.4
250.06491	0.6
267.07333	0.5
287.23843	0.6
305.24927	2.9
323.25977	4.0
324.26300	0.5
331.22449	0.5
339.25375	1.5
341.26956	10.1
342.27341	0.8
349.23859	3.2
367.24924	8.3
368.24985	0.7
385.25967	35.0
386.26352	3.8
434.19135	0.5
617.32098	2.0
635.32837	100.0
636.33179	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	635.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20048	1.0
69.28294	11.3
70.42036	1.1
71.01241	1.4
75.92926	0.9
78.95786	39.3
80.37898	1.0
82.81819	0.9
83.43759	1.0
86.39443	1.1
89.02310	2.2
95.07971	1.2
96.96851	2.9
98.20547	2.5
131.66768	1.2
152.99518	14.0
171.10190	18.0
186.24788	1.1
225.11308	2.1
226.17125	1.1
253.21762	3.4
255.23264	15.0
261.57120	1.1
265.81894	1.0
276.42456	1.1
391.22757	3.8
399.14267	9.6
409.23624	1.4
419.18918	2.5
430.14111	1.8
431.14258	2.1
431.19537	2.4
444.16061	2.3
445.16867	4.0
458.17447	3.8
459.13483	1.7
459.18863	2.3
472.19330	1.1
473.15616	3.2
473.20645	1.9
474.16766	10.9
475.17371	5.6
486.20779	1.5
487.17859	3.1
488.18723	7.7
489.19485	6.2
490.20239	7.1
501.19003	2.8
505.22809	6.2
516.18201	3.7
529.18866	2.2
549.21594	2.8
559.23657	2.9
560.20892	2.3
561.21277	1.4
575.23090	17.2
576.23730	10.4
603.22333	2.9
617.34717	2.3
635.25244	100.0
635.35504	8.8
636.25403	17.5
636.35229	1.7
650.95825	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03318	3.9
59.01252	29.1
60.01571	0.5
68.99683	0.8
69.03332	0.8
71.01253	19.8
72.99172	3.5
73.02829	2.9
75.00748	21.3
81.03321	0.5
83.01245	2.5
83.04926	0.6
85.02823	24.8
87.00752	6.3
89.02322	2.2
93.03352	0.4
95.01267	3.8
95.47752	0.4
96.01454	0.4
96.95897	2.3
97.02840	1.3
99.00760	8.9
99.04394	0.7
101.02319	3.8
103.00260	1.3
111.00752	1.3
112.01539	0.6
113.02332	26.5
114.02634	0.5
115.00260	2.7
116.00998	0.5
117.01806	1.5
119.04910	1.0
125.02340	1.1
129.01836	1.9
134.03670	0.5
139.00293	0.4
141.01826	0.6
145.02902	0.5
151.64322	0.5
157.01357	2.0
161.04442	0.6
163.03908	1.0
175.02432	3.9
193.05103	0.7
201.04070	0.6
210.83836	0.4
227.03453	1.2
229.30417	0.6
255.02985	2.3
267.07166	0.6
284.03241	3.4
285.03763	0.9
300.02728	1.1
377.07272	4.8
395.08347	0.7
415.53806	0.4
461.20419	1.0
531.27997	0.7
591.26709	1.0
617.28192	1.0
635.29218	100.0
636.29480	15.8
656.39514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.6
59.01254	8.7
71.01251	11.9
72.99186	1.9
73.02814	7.2
75.00739	3.8
76.28680	0.6
83.01272	1.2
84.02133	0.9
85.02838	6.0
87.00742	1.2
88.55659	0.7
89.02314	2.8
93.03339	1.3
96.95888	0.8
98.19757	1.4
99.00776	7.0
101.02318	3.7
102.07231	0.7
108.02051	1.7
109.02843	3.0
113.02312	3.3
119.04915	1.6
121.02846	4.0
121.97952	0.7
122.03643	1.7
123.00812	1.3
123.04440	1.0
127.03879	1.9
133.97141	0.7
134.03612	1.4
135.04430	0.7
136.01556	80.3
137.02242	3.7
145.02840	1.4
145.04971	1.9
149.02386	0.7
151.03915	100.0
152.04295	3.6
159.04433	0.7
160.05177	1.3
161.02301	1.1
161.06012	1.0
162.03157	1.0
163.03934	2.0
175.02521	0.8
175.03900	2.7
175.07571	1.0
176.04718	3.8
177.05478	1.6
187.03899	1.3
188.04636	0.8
191.07077	3.2
203.07039	0.8
211.07632	1.5
253.09351	0.7
255.02925	1.1
271.02441	1.2
285.03979	1.0
299.02051	1.1
301.03394	2.0
312.10089	1.6
324.09985	1.4
325.10550	0.9
327.12308	7.4
328.12772	0.8
339.12360	10.1
342.11014	4.6
343.11688	1.9
357.13412	67.0
358.13788	6.3
372.05096	1.2
485.18097	1.2
489.10324	2.2
503.19067	1.0
519.11267	3.8
591.17316	1.1
591.26373	8.4
592.26917	1.5
605.22485	3.0
606.22882	1.1
617.22327	6.8
618.22650	1.3
635.23309	33.9
636.24689	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	635.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.3
57.03318	1.8
58.00464	0.7
59.01255	17.5
68.99682	2.0
69.03323	1.2
69.68032	4.3
71.01255	26.6
72.99165	1.7
73.02827	5.5
75.00738	1.7
83.01291	3.3
85.02825	14.2
87.00762	1.6
89.02325	14.3
95.01292	1.2
98.19798	1.2
99.00767	6.7
101.02330	4.4
103.61328	0.6
109.02799	0.8
111.00760	2.1
111.04399	1.4
113.02333	6.6
113.99481	7.7
115.00301	4.0
119.04913	0.8
121.10126	5.3
127.00270	1.5
129.01825	1.7
131.03419	2.4
134.52361	0.7
139.00240	1.8
139.11208	0.6
139.14893	0.6
149.04407	0.9
157.01334	3.3
165.09137	2.7
165.87250	0.6
167.10703	3.8
169.01302	1.2
183.10211	1.4
277.05667	9.9
278.05768	0.7
300.02982	0.7
301.05563	0.6
315.14468	14.3
316.14783	1.2
319.06619	0.9
406.01071	0.7
473.16870	2.0
475.30469	0.8
487.18149	2.4
591.25391	1.0
635.21930	100.0
636.22327	11.7
647.40692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91663	0.7
55.01752	2.2
57.03317	2.5
58.00474	1.1
59.00955	1.1
59.01252	19.1
62.04792	0.8
68.99683	2.9
69.03324	2.1
71.01258	25.5
72.99179	1.9
73.02823	4.4
75.00717	1.6
75.41497	0.9
83.01271	4.2
85.02825	13.3
87.00758	2.6
89.02318	12.9
95.01274	2.3
97.02821	1.8
99.00777	6.1
101.02311	3.0
111.00767	2.2
112.03946	1.1
113.02324	8.7
113.99480	9.1
115.00282	4.0
121.10122	3.3
127.00250	1.6
129.01791	1.6
131.03436	2.0
139.00279	1.9
146.87589	1.0
155.82118	0.8
156.00551	1.0
157.01337	3.6
162.71556	0.9
165.09116	2.2
167.10692	4.0
169.01340	1.5
183.10271	1.8
249.06113	1.5
267.07169	1.5
277.05624	11.6
315.14484	13.5
316.15103	1.0
319.65408	0.8
386.18405	1.4
473.16333	1.7
487.18250	2.8
635.21954	100.0
636.22406	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	635.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55627	0.2
52.05669	0.2
57.47444	0.2
59.01260	1.7
63.02282	0.3
65.00218	0.8
70.34957	1.1
72.99188	0.4
73.02833	0.8
75.00760	2.0
83.01263	0.6
85.02833	1.4
87.00771	0.6
89.02341	0.5
93.03358	0.4
95.01272	0.4
96.95862	0.3
97.01964	0.3
99.00771	0.7
101.02360	0.4
107.01279	1.4
113.02339	1.6
114.02687	0.3
115.00287	0.3
132.02103	1.0
135.00775	0.7
141.03630	0.3
145.02806	0.4
151.00261	2.0
163.00317	0.8
164.01105	0.5
165.41675	0.2
165.81520	0.3
167.04861	0.3
169.01376	0.3
171.04439	0.5
173.04488	0.6
178.99831	1.6
183.04449	1.5
185.02440	0.5
185.06036	0.5
189.69678	0.2
200.04709	0.6
211.03983	1.7
213.01917	0.4
227.03462	38.2
228.03850	2.3
229.05075	1.0
232.49469	0.3
239.03496	0.8
241.05078	0.3
241.48383	0.3
255.02979	71.2
256.03528	7.1
257.04462	1.6
262.15460	0.3
267.07254	0.3
283.02463	1.7
284.03271	100.0
285.03848	13.9
286.04355	0.6
309.04120	0.4
327.05280	0.4
471.09766	1.7
473.11047	0.4
536.36322	0.3
551.97766	0.3
589.24915	0.4
590.25299	3.0
591.25635	4.3
635.16138	50.6
636.16486	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	635.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04778	4.3
52.20692	5.2
59.01245	31.9
69.70573	32.5
71.01260	23.6
72.99174	4.9
75.00755	11.6
83.01237	5.6
85.02842	15.9
89.02334	10.0
93.03355	4.7
96.95898	7.1
101.02351	13.6
109.02837	7.0
111.04372	4.9
113.02338	16.1
119.04944	11.2
136.01563	7.9
161.50902	5.2
163.03943	9.0
175.03873	5.7
227.03503	15.0
250.06210	5.3
255.02985	30.9
267.07077	8.3
268.07443	9.6
283.09744	13.3
284.03342	48.7
285.03940	13.0
308.07153	5.9
309.07629	14.3
312.06601	12.2
323.09296	14.4
324.09827	10.5
327.08609	22.6
338.02362	5.1
339.08725	35.9
341.10306	6.9
342.11008	20.7
343.11697	7.7
354.11307	12.8
357.13495	100.0
358.13626	6.9
369.13391	85.3
370.13663	10.4
385.23401	5.8
453.22214	5.8
461.20438	7.1
591.26733	38.2
635.15045	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	633.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73503	0.8
57.03316	3.0
59.01257	13.7
61.98707	2.0
67.01759	0.9
68.19679	0.7
68.25618	0.8
69.03334	1.4
71.01255	12.6
71.04877	0.9
72.99184	5.3
73.02824	2.5
75.00754	10.4
78.95807	1.2
82.18304	0.8
83.01239	1.1
85.02820	12.5
87.00755	4.7
89.02313	4.4
93.03358	0.9
95.01274	2.6
97.06482	1.8
99.00768	6.9
101.02315	2.0
103.00288	1.2
109.06429	0.9
111.00792	0.9
113.02345	13.4
115.00269	1.8
117.01835	1.5
121.02836	2.7
123.08068	1.7
124.07610	1.4
125.02375	1.8
125.09619	4.7
137.02299	1.1
137.09636	1.3
139.00333	1.1
143.04523	1.3
148.03957	2.6
163.11200	1.8
165.12762	1.5
171.10191	12.6
174.01628	1.4
175.02356	2.5
181.12302	2.1
185.11790	0.9
187.09727	1.2
207.10188	3.0
209.11838	3.8
211.13300	2.1
225.11305	4.1
231.05029	1.0
238.11058	1.4
243.12405	2.0
249.06123	9.1
253.13475	2.8
267.07040	1.2
271.10736	1.0
273.12332	1.3
289.07132	1.1
309.20724	0.9
321.24420	2.2
339.25418	3.8
341.11060	1.0
365.23361	2.1
383.24368	29.2
384.24631	3.2
479.21570	1.2
615.23566	1.9
615.32330	1.3
633.31360	100.0
634.31635	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	633.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97601	0.6
59.01255	100.0
60.01590	1.1
71.57747	1.2
71.58130	0.7
78.95778	6.0
96.96852	1.0
107.16067	0.6
110.70849	0.6
152.99472	4.1
195.13919	1.5
205.12399	1.3
223.13353	13.6
224.13704	1.0
255.23398	1.1
270.07025	0.8
293.21243	7.0
297.34262	0.7
309.20883	0.8
327.06345	0.7
397.12881	0.8
425.14816	0.6
428.44159	0.7
555.12799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20606	0.8
52.15972	0.7
59.01254	4.1
71.01262	4.9
71.58016	1.2
72.99193	1.6
73.02822	1.1
77.16510	0.7
85.02838	2.9
89.02336	2.1
93.03310	1.0
95.19266	0.7
96.95895	3.4
99.00771	1.9
101.02283	1.1
107.01271	2.8
108.02061	1.9
109.02833	2.5
113.02338	2.9
117.03348	1.8
119.04919	3.3
121.02855	1.4
134.03639	1.5
135.00783	1.3
139.03940	1.2
143.32388	0.7
143.53069	0.9
145.02872	7.1
148.01546	2.3
151.00270	12.1
153.01900	0.9
160.01595	1.9
161.02461	0.9
163.00290	3.0
163.03903	2.9
175.03914	1.7
178.99800	5.4
183.04613	1.3
193.05019	1.7
195.06647	1.3
199.03915	1.4
211.07614	2.3
211.13162	0.8
215.03429	1.5
226.02657	1.2
227.03465	4.5
229.05009	1.4
243.02994	12.6
245.04643	1.4
254.02281	2.4
255.00238	1.3
255.02957	32.3
256.03372	3.0
271.02481	57.1
272.02963	4.4
283.02402	1.5
284.03268	5.2
285.04163	0.9
297.09988	1.5
299.01978	3.4
300.02750	100.0
301.03458	48.0
302.03851	2.9
307.08377	2.1
309.07849	1.2
327.12292	1.4
339.12335	2.9
360.75742	0.8
385.37537	0.9
437.90601	0.9
461.20377	1.8
487.08994	3.1
505.09732	7.1
506.09891	1.4
519.16382	2.4
547.10931	44.1
548.11145	6.9
563.14124	2.1
590.25488	3.4
591.26160	1.5
635.17554	3.2
635.27313	1.2
646.94244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05077	0.5
51.71014	0.6
55.01761	1.4
57.03332	4.8
59.01255	23.6
68.99692	0.9
69.03330	0.6
69.43562	2.1
69.43987	3.2
71.01262	19.6
71.64921	0.5
72.99174	3.9
73.02817	3.4
75.00751	23.2
78.24809	0.6
83.01253	2.2
85.02830	23.4
87.00761	6.3
87.87826	0.6
89.02331	2.2
95.01270	2.6
96.95883	0.5
97.02850	1.0
98.20547	1.1
98.70685	0.6
99.00758	7.6
101.02340	4.7
109.02855	0.7
111.00777	0.7
113.02338	25.9
115.00271	2.2
117.01826	1.0
125.02334	1.2
129.01842	0.7
151.00305	1.4
157.01328	1.0
161.04482	1.4
163.03894	0.7
166.99857	0.8
169.01323	3.3
175.02435	3.5
185.00916	0.8
209.15457	2.0
271.02234	0.7
322.13950	0.6
371.20609	1.8
447.09250	0.7
535.84875	0.7
547.23895	1.0
589.25049	100.0
590.25385	15.2
642.13080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.7
57.03326	4.4
59.01254	32.0
69.03338	1.9
71.01260	29.3
71.45417	1.7
72.99184	6.7
73.02825	11.2
75.00745	32.5
83.01250	5.7
85.02831	41.4
87.00745	10.3
89.02314	6.4
95.01276	4.2
97.02799	3.2
99.00775	13.7
101.02326	8.6
111.00745	2.1
113.02336	36.1
115.00266	5.9
120.50476	1.8
131.03371	2.8
173.04491	5.5
175.02435	2.2
175.42249	1.9
217.54417	2.0
230.57922	2.3
230.60381	2.5
357.59018	2.0
366.56958	2.0
423.92975	2.2
434.11511	2.1
589.25031	100.0
590.25226	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	631.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	5.1
59.01247	28.8
61.98689	2.7
69.03333	9.0
69.65720	11.2
69.66148	13.0
71.01256	36.1
71.04895	16.2
72.99189	9.1
73.02803	7.1
75.00740	25.5
77.54953	2.6
83.01291	4.3
83.75015	2.8
85.02808	21.6
87.00741	10.9
88.03914	3.6
89.02324	8.9
95.01267	4.1
95.04903	4.5
99.00768	10.4
101.02344	10.2
106.06516	3.7
107.03644	4.4
110.06001	8.3
113.02361	22.7
120.08073	50.5
121.02862	11.3
121.05236	3.7
122.06011	82.4
123.06391	3.7
125.02355	9.0
134.03586	6.1
134.05975	6.6
137.56264	2.9
143.04594	5.8
144.04414	5.2
145.05087	3.3
151.00282	4.8
160.03894	3.8
161.04488	4.4
161.60806	3.2
162.05556	3.7
171.10170	21.4
174.01648	9.7
174.05499	7.5
178.99706	4.7
185.11765	24.5
186.12117	3.4
201.11269	25.9
202.11604	5.6
203.05736	6.0
209.11769	29.5
210.11993	4.8
211.13368	23.6
221.08138	54.3
222.08510	4.4
227.12790	4.6
236.09541	4.7
237.10295	8.1
241.14430	11.7
249.05878	4.3
250.11081	3.4
251.11836	39.5
252.12447	6.1
253.09517	11.8
263.08304	6.4
263.11951	3.6
264.09134	5.2
265.09650	4.7
265.13467	5.9
266.10446	4.0
267.07498	5.4
267.11444	6.4
271.02505	4.6
277.09827	26.3
278.10571	14.2
279.11319	9.8
281.09207	4.2
291.11331	30.2
292.12128	37.4
293.12988	32.1
294.13461	8.4
295.11121	3.5
300.02884	5.4
301.11969	4.8
311.10446	4.7
313.12036	4.5
319.10852	5.4
324.11169	12.1
335.10385	9.9
336.11115	12.4
337.11911	9.5
360.17166	4.4
372.17194	11.2
374.18704	3.9
390.18396	5.9
400.16699	4.1
402.18091	5.0
409.13498	8.5
410.50797	3.3
414.18173	14.5
418.17627	9.6
432.19232	14.2
441.17529	3.6
442.15353	4.8
458.17258	5.6
459.17624	7.5
476.18311	27.2
477.18948	23.8
478.19730	8.7
490.19708	10.4
508.20947	43.9
509.21429	12.2
537.25195	24.0
538.25201	4.9
555.26013	21.1
556.26447	5.4
569.23834	8.3
581.24329	25.8
582.24438	6.8
599.25140	100.0
600.25372	19.2
601.26849	3.9
613.26819	20.4
614.23602	4.0
631.10132	6.9
631.22113	29.9
631.28442	43.9
632.28369	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	631.2773
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
59.00984	1.2
59.01253	9.7
64.02792	1.1
69.27859	9.5
69.28282	2.8
71.01242	4.1
74.24045	1.2
78.95775	2.4
85.02812	2.2
86.02352	1.4
87.00765	2.4
89.02354	1.1
90.94048	1.1
94.06510	12.4
95.04905	2.1
99.00705	1.2
99.09980	1.2
110.06024	9.7
112.47119	1.2
113.02387	1.6
120.08089	3.6
121.05246	2.6
122.06020	21.0
123.06332	1.1
130.06525	2.2
134.06004	4.9
136.07578	10.2
144.04477	3.4
146.06000	1.3
148.07559	1.3
152.99469	3.8
160.03941	1.7
161.04680	1.9
161.07129	6.9
162.05469	1.8
171.10222	1.9
173.04730	1.7
174.05528	19.4
183.82906	1.1
185.11775	11.4
187.06258	1.6
201.11349	5.9
203.05844	4.2
209.11789	10.5
210.12155	1.5
211.13327	7.0
215.11813	6.1
225.10123	1.3
227.11914	3.7
237.10274	8.3
238.10870	1.4
239.11809	3.8
241.13451	20.8
242.13667	1.5
243.15007	19.7
251.11717	2.3
253.09352	2.4
263.08405	1.6
264.09048	2.5
265.09692	1.8
267.07706	1.8
277.09741	1.9
278.10513	2.7
279.11356	1.8
281.09280	3.4
282.10071	4.8
283.10776	5.9
283.58087	1.2
285.12500	2.4
287.14023	29.7
288.14227	1.7
291.11319	1.4
292.12024	2.6
293.12881	1.9
295.14493	1.5
301.11899	3.1
311.10330	6.4
312.11105	6.5
313.11862	7.3
314.12845	1.8
315.13492	1.4
325.11920	3.1
343.13086	5.3
346.15399	1.4
346.19418	2.0
357.15427	1.3
358.15500	2.4
370.19214	2.4
371.19769	1.2
372.17075	11.6
373.17783	3.1
374.18674	4.0
376.16534	1.3
386.15063	5.0
387.15390	2.3
399.15875	2.9
400.16559	16.0
401.49832	1.4
405.16971	3.8
414.18253	16.2
415.18991	7.1
432.19492	2.4
483.24078	1.3
487.27213	1.9
493.26361	2.5
495.23993	6.9
496.24133	1.2
496.34912	1.3
511.27005	3.2
513.25006	18.3
514.25543	2.9
525.25128	2.4
531.26221	1.7
537.25385	7.8
538.25171	2.2
555.17871	2.0
555.26178	28.4
556.26331	5.1
557.24402	2.0
558.24609	2.7
581.23920	4.5
587.28491	2.2
599.25085	27.2
600.25134	5.0
613.26257	3.8
631.27710	100.0
632.28021	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67596	0.5
55.01747	0.5
57.03323	4.0
59.01252	12.3
61.98700	1.3
67.01768	0.8
67.05402	3.8
68.99677	1.4
69.03324	6.3
71.01255	13.8
71.37728	0.8
71.38095	1.0
72.99185	4.9
73.02831	3.0
75.00747	13.2
78.95771	0.7
81.03325	0.8
83.01244	1.6
83.04890	0.7
85.02822	13.6
87.00756	5.2
89.02331	3.7
93.03342	0.8
95.01254	2.9
96.95889	1.3
97.02817	0.8
98.42840	0.5
99.00762	7.0
101.02315	2.1
103.00248	1.3
103.03889	0.6
103.35789	0.5
109.02851	1.0
111.00768	1.2
111.04408	13.0
112.04759	0.9
113.02331	17.4
115.00257	1.7
117.01849	1.2
125.02341	1.2
125.09604	2.5
126.08292	0.5
129.01820	1.5
131.03452	0.7
137.02336	0.9
137.09615	0.6
139.00343	0.8
145.02922	0.6
149.02248	0.6
151.00255	1.4
157.01289	0.9
160.01608	0.6
161.04358	0.5
166.51620	0.4
166.88319	0.5
169.08609	1.1
173.04497	0.6
175.02396	2.1
180.03889	0.6
181.08624	31.7
182.09003	1.3
185.11823	1.0
191.05330	0.6
193.03445	1.7
199.09688	7.2
200.10100	0.5
201.11293	1.6
209.11757	1.2
211.13310	2.1
231.05037	2.3
235.04517	0.8
249.06126	31.2
250.06450	1.9
279.01804	0.5
363.08997	0.7
413.14691	1.1
431.15573	100.0
432.15875	11.6
479.17026	1.0
587.23584	7.1
588.23950	1.5
631.26544	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55593	1.2
59.01255	12.0
68.95206	1.3
69.34281	10.2
69.34701	2.2
71.01258	3.6
72.99197	1.6
73.02795	1.1
80.04917	1.4
84.95027	1.8
89.02315	1.9
94.06502	17.0
104.05765	1.7
106.06491	1.7
110.05997	11.7
113.02310	1.7
120.08099	3.8
121.05202	2.1
122.06010	25.1
130.06551	2.3
134.06056	8.3
136.07579	12.6
144.04468	2.9
146.73526	1.4
149.50133	1.4
161.04678	2.1
161.07138	8.9
162.05498	2.3
171.10234	2.2
173.04791	1.3
174.05525	22.2
175.06154	1.7
185.11795	9.8
187.06223	2.0
201.11279	3.0
203.05801	5.9
209.11754	9.8
211.13359	4.7
212.80667	1.5
215.11826	7.9
223.08734	1.5
227.12135	1.5
236.09505	2.9
237.10249	8.6
239.11850	3.4
241.13431	22.8
242.13739	2.0
243.14996	21.6
249.10208	1.5
251.11842	3.3
253.09326	2.2
264.09039	2.4
265.09756	4.0
265.13559	1.7
267.07617	2.1
268.08368	1.7
271.10828	2.1
278.10367	1.8
279.11353	1.9
281.09280	1.5
282.10068	4.8
283.10776	5.1
285.12225	2.2
287.13998	41.3
288.14413	2.8
291.11584	1.8
292.12167	2.5
293.09610	1.5
293.12943	3.2
294.10175	1.8
300.02646	1.8
311.10492	6.3
312.11221	9.9
313.11960	8.5
314.12637	1.4
318.40369	1.5
325.11884	2.9
343.12982	9.2
345.14722	1.8
346.19357	2.5
358.15512	3.1
370.19131	3.4
372.17166	11.3
373.17786	5.1
374.18631	2.5
376.16263	1.5
386.15021	5.8
399.15829	2.1
400.16617	19.0
401.16867	3.6
402.19778	1.5
405.16794	3.8
414.18259	20.7
415.18747	7.2
430.17331	1.4
432.19235	2.7
435.48721	1.6
483.23874	3.1
487.26944	1.7
493.25912	2.2
495.24091	8.4
511.27261	3.3
513.25153	21.3
514.25336	2.5
525.24664	2.3
537.25195	12.0
538.25531	2.8
555.26086	37.0
556.26288	4.3
558.24939	2.3
581.24158	5.7
599.15680	1.1
599.25018	33.0
600.25439	7.9
613.26581	6.5
631.27710	100.0
632.27905	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	631.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04205	1.5
55.01758	2.3
57.03316	7.1
58.00468	2.5
58.02891	1.7
59.01252	37.9
61.98695	4.4
68.99699	2.3
69.03334	5.6
69.41307	17.3
71.01251	45.2
72.99184	12.8
73.02822	11.6
75.00753	36.5
78.95780	2.0
83.01250	8.5
85.02823	44.1
87.00753	11.4
89.02307	10.8
93.03363	3.7
95.01266	5.4
96.95901	6.0
97.02821	7.2
98.20526	3.3
99.00772	11.2
101.02328	11.2
103.00230	5.9
111.00777	4.0
111.04411	6.7
113.02335	46.8
115.00244	5.7
125.02329	6.0
128.03407	2.7
129.01859	2.4
131.03391	4.5
137.02339	3.0
143.04509	2.1
145.08755	1.7
147.04462	2.4
147.05588	2.1
151.00278	2.8
151.03812	2.1
152.01021	2.7
160.01460	2.3
173.04465	10.2
175.00258	2.0
175.02379	7.5
175.03842	1.9
178.99779	2.6
181.08629	14.6
185.11754	4.2
191.05533	2.4
193.03461	26.1
193.05011	2.7
199.09676	7.0
201.11166	9.8
205.04950	1.8
209.11784	5.8
211.13281	8.6
231.04982	2.8
235.04532	17.6
235.73189	2.0
249.06145	17.1
289.07092	2.1
300.02878	2.1
379.08984	9.5
381.97964	1.8
397.09872	6.1
431.15588	55.4
432.16095	6.1
470.17935	2.3
587.23456	100.0
588.23596	16.7
631.23175	6.9
631.30695	2.9
640.31250	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04913	2.5
57.03327	7.0
59.01258	48.2
64.23862	2.7
68.02668	2.2
68.99684	2.2
69.03318	5.2
69.20660	2.5
69.33505	27.3
71.01256	61.4
72.99190	25.9
73.02827	12.6
75.00752	48.5
83.01243	8.5
84.97329	3.0
85.02833	52.0
87.00763	20.7
89.02336	14.1
93.03326	2.7
95.01257	8.6
96.95921	3.3
97.02847	9.0
98.19708	5.2
99.00782	15.7
101.02323	15.1
103.00260	10.3
107.01176	2.8
111.00745	3.3
113.02332	65.7
114.74754	3.0
115.00285	5.4
117.01870	3.6
120.99567	4.0
125.02386	4.5
129.01854	4.4
129.84489	2.7
131.03410	11.6
133.01340	3.3
137.02379	4.1
145.02888	3.4
150.03180	3.4
151.00246	3.8
152.01010	3.0
157.01334	4.8
165.01889	6.4
165.05521	4.9
169.01320	2.6
173.04462	4.8
175.02388	11.9
179.03384	3.5
180.04118	4.6
193.03485	99.7
194.05830	3.6
195.06573	6.6
197.72519	2.7
209.08092	2.9
215.05775	2.4
217.03444	4.0
224.58655	2.7
225.07634	3.1
235.04584	42.9
256.98642	2.3
379.08890	29.3
380.08981	2.7
397.09821	17.6
439.30261	2.8
559.46375	2.9
587.23511	100.0
588.23871	15.5
631.22076	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37640	0.6
55.01765	2.3
57.03333	5.6
58.00467	1.6
59.01257	21.7
59.72878	0.6
61.98716	1.1
69.03339	1.9
69.33944	4.4
69.34373	2.7
70.32903	0.6
70.55759	0.6
71.01258	32.8
72.99184	7.3
73.02817	3.0
75.00755	29.6
75.83034	0.7
78.95759	0.8
79.95637	1.7
80.29893	0.8
80.96407	6.0
81.95197	1.0
82.95978	3.5
83.01258	4.0
84.02020	1.0
85.02831	34.6
86.02341	0.9
87.00748	10.2
89.02322	8.9
89.25417	0.6
94.98008	1.1
95.01275	4.3
96.95895	0.9
96.97520	0.7
97.02840	2.7
99.00768	9.3
101.02341	6.5
101.23070	0.7
103.00266	0.9
104.97881	0.7
112.01563	1.2
113.02342	28.9
115.00269	2.7
117.01879	1.3
119.03404	3.9
121.02954	1.0
122.06039	1.3
125.02343	1.1
125.09649	0.8
129.01810	0.7
131.03409	1.9
137.02353	1.0
149.04507	0.9
151.00279	0.8
157.01343	1.0
160.03976	0.9
173.04460	2.7
175.02455	4.5
175.03709	0.8
177.42014	0.8
191.05624	1.1
211.13309	1.8
225.00710	1.2
227.00359	1.1
285.12476	0.9
307.10950	0.7
355.04932	0.7
457.82581	0.8
547.85663	0.8
553.24292	1.0
585.29712	0.8
597.23187	1.1
607.09723	1.0
611.26471	1.1
629.28149	100.0
630.28510	17.9
630.38367	1.3
634.35364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.6
58.00466	0.5
58.02846	6.4
59.01247	4.8
61.98695	1.9
63.65733	0.5
66.03355	0.8
69.24677	5.7
71.01254	6.1
72.00768	0.9
72.01594	0.6
73.02813	1.2
74.02349	10.7
75.00724	0.7
78.95770	0.8
80.03679	0.5
81.04432	0.8
82.02854	1.4
83.01259	0.9
84.04414	0.7
85.02818	2.0
86.02350	4.9
86.06015	0.6
86.98972	0.9
87.00742	1.1
87.05514	3.0
89.02325	3.4
90.00097	1.3
93.03329	1.9
96.95883	1.2
97.03986	1.3
99.00742	0.6
99.05524	11.5
101.02304	1.6
101.07088	1.6
102.05479	2.1
107.06059	0.7
109.03955	1.6
111.04410	0.5
111.05526	1.2
111.40311	0.6
112.03934	1.6
112.35511	0.6
113.02338	1.1
116.35233	0.6
118.87341	0.5
119.08575	0.9
122.05959	1.2
123.05509	0.9
124.03912	0.5
125.03451	1.0
127.05042	3.0
128.03429	30.6
131.03394	0.9
131.04498	0.6
135.05511	2.8
137.07147	0.8
141.06573	3.1
143.04529	42.5
144.04855	0.9
145.06081	1.4
146.04520	2.9
151.00243	0.9
153.06595	3.5
160.00636	11.6
160.01863	0.8
163.03880	0.5
166.09749	2.1
167.04514	3.1
167.08192	1.4
170.03232	0.9
171.67175	0.5
175.03871	0.9
177.03337	4.2
179.04546	8.6
180.04926	0.7
181.06161	1.1
181.08669	1.0
182.08942	0.5
185.05585	2.3
190.02567	0.8
192.07747	1.2
197.05647	1.6
201.11310	1.2
205.05058	1.0
209.11781	1.0
210.08775	7.5
231.04449	0.8
235.04736	0.5
242.07799	1.2
254.07796	9.7
257.12872	0.7
271.02527	1.5
272.02948	0.8
272.08884	17.5
273.09216	0.9
283.53085	0.5
288.06628	6.9
300.02744	2.1
301.03326	1.9
306.07651	100.0
307.07889	6.2
433.13467	0.6
508.20853	0.6
512.25885	0.7
594.26068	0.7
599.25311	0.6
612.27557	3.0
630.19067	2.2
630.28571	4.2
631.28137	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	629.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05275	1.0
55.01763	2.3
57.03329	7.2
57.71659	1.0
58.00456	2.1
58.41052	1.2
59.01253	48.3
61.98705	1.4
67.05383	1.4
69.03336	10.6
69.03719	1.6
71.01257	60.4
72.99188	4.5
73.02821	9.4
75.00730	2.6
78.23306	1.2
78.95785	1.2
80.96405	1.9
81.37511	1.1
82.95999	1.1
83.01260	4.9
85.02831	22.7
85.03341	1.2
87.00759	3.1
88.03918	1.3
89.02316	33.5
95.01303	1.3
96.95901	3.8
98.19824	4.3
99.00744	5.6
101.02324	8.4
109.02860	2.0
111.04413	4.2
113.02327	9.8
119.03425	1.4
119.04862	1.3
119.08557	23.4
120.08903	1.3
121.10150	7.5
125.02339	1.6
125.09629	8.4
131.03374	7.3
132.02913	1.5
137.02354	1.5
138.03127	3.2
149.04453	1.5
152.01041	1.9
153.01839	4.0
153.05443	1.7
161.04448	3.0
163.03918	1.4
163.07542	21.2
165.05482	1.3
165.09109	3.3
168.04231	3.1
169.08615	20.8
181.08606	26.6
182.08989	1.3
183.06464	1.9
183.10211	1.4
190.02563	1.7
195.06635	1.6
199.09708	19.4
201.11365	1.3
209.11710	1.5
225.14896	8.2
230.34364	1.3
267.07343	1.9
283.11157	1.9
306.07504	2.0
313.12939	100.0
314.13412	6.6
314.16489	1.1
315.10822	1.9
315.14468	39.8
316.15033	5.7
331.13986	11.4
332.14313	1.2
380.73123	1.2
447.15030	4.6
453.74722	1.1
477.16101	2.8
500.21094	1.7
554.22369	2.0
593.25568	2.1
598.21960	2.1
599.26996	4.8
600.27808	1.3
611.26746	3.4
629.28284	33.7
630.27313	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	629.282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87646	1.2
51.89531	1.1
55.01743	3.4
55.95461	1.2
57.03314	6.2
58.00463	3.1
59.01252	47.2
61.98687	4.8
66.70764	1.3
69.03325	3.5
71.01255	69.9
72.01595	1.7
72.99172	5.4
73.02823	9.7
75.00736	3.1
78.95768	1.6
80.96368	3.4
81.03320	2.6
82.95964	2.0
83.01269	6.7
85.02825	24.4
87.00746	3.7
89.02315	34.9
90.25344	1.3
93.03355	7.5
94.38825	1.3
95.01256	2.2
96.95891	2.6
99.00754	6.8
101.02319	11.9
109.02803	1.6
111.00765	2.3
111.04397	6.0
113.02356	12.2
119.03387	2.8
119.04894	4.4
119.08549	26.2
120.08934	1.7
120.75938	1.6
121.02825	1.6
121.10121	5.9
125.02332	3.4
125.09602	3.0
128.03442	3.5
131.03407	5.7
135.80351	1.6
137.09595	1.8
139.11162	3.4
143.03438	2.0
143.04535	3.5
145.02814	2.2
149.02434	1.7
149.04524	2.1
150.03108	1.5
151.00259	1.6
151.03931	1.7
161.04440	2.1
163.03970	2.8
163.07544	9.0
163.11154	1.8
165.09088	5.8
167.10709	2.6
170.99168	1.4
171.10164	4.5
175.03850	2.7
181.08580	5.3
183.10133	7.7
190.02695	3.7
191.05557	8.2
193.04974	2.6
199.09679	4.4
201.11253	23.4
205.04985	5.1
209.11775	27.1
221.11845	2.6
223.13408	2.3
239.12901	1.9
252.09193	1.5
253.09253	6.0
255.02914	2.3
271.02448	6.2
272.09186	2.3
285.12476	1.9
295.11768	5.7
297.13382	2.6
300.02695	10.2
301.03412	4.4
306.07645	13.8
311.09717	2.0
313.12915	7.9
315.14508	24.4
316.15005	1.7
327.14526	6.1
337.09210	3.9
384.87158	1.7
393.23264	1.6
553.24353	2.3
593.26196	4.3
597.22803	2.1
599.27258	4.2
611.17639	2.9
611.27100	46.3
612.27454	9.9
629.18854	10.1
629.28033	100.0
630.28607	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	629.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12104	0.9
54.33539	1.0
55.01763	2.0
57.03333	3.3
58.00480	1.2
59.01255	24.1
68.99690	2.8
69.03329	1.7
71.01260	28.1
71.58212	1.7
72.17266	0.9
72.99194	4.0
73.02827	4.8
75.00754	14.1
77.99134	1.0
81.03313	1.3
83.01272	2.1
83.04907	2.2
85.02827	27.3
87.00225	2.0
87.00759	38.2
89.02330	9.7
93.03330	1.8
95.01286	5.6
97.02841	1.8
99.00771	8.7
101.02341	3.4
103.00288	2.0
103.03927	2.0
109.02789	1.1
111.00760	1.6
113.02339	31.2
115.00298	1.7
117.01819	2.4
119.04919	1.3
123.00785	1.2
123.04434	3.3
125.02312	1.6
129.01816	2.6
137.02364	2.0
139.00264	1.4
145.02832	1.1
149.04507	1.6
151.07570	1.5
153.05486	2.3
157.01355	1.1
165.03993	1.7
165.05492	2.1
168.00545	1.1
175.02414	3.6
189.03986	1.0
195.06609	1.0
197.08141	3.7
227.03499	1.6
231.05074	2.5
249.06158	100.0
250.06580	3.5
255.02954	2.0
267.07248	77.4
268.07596	3.6
284.03238	2.7
337.07794	35.2
481.18689	1.0
485.18906	1.1
593.15106	2.1
629.22748	19.1
630.23395	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	629.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00988	2.0
59.01254	23.1
67.57516	1.2
71.01259	8.4
71.57748	1.9
71.58147	1.2
72.99198	1.4
73.02824	3.3
74.02335	1.1
75.00787	1.5
78.95776	4.2
79.95632	2.9
80.96375	5.8
81.03342	1.3
82.95997	2.8
83.01246	1.8
83.02409	2.3
85.02827	4.5
87.00751	2.4
89.02299	2.8
94.06480	1.5
94.55477	1.1
94.97941	1.7
101.02338	4.8
110.05991	5.5
113.02317	2.4
119.03429	1.6
120.08095	3.6
121.05240	3.4
122.06011	27.1
130.06512	1.6
134.06012	7.8
140.85852	1.4
144.04530	2.0
151.07524	1.5
152.99510	2.1
160.06357	8.6
161.04707	3.7
162.05472	2.5
171.10175	3.7
173.04706	1.8
174.01526	1.6
174.05525	8.9
183.10252	2.6
193.03589	1.4
193.69562	1.3
199.09859	1.3
201.11261	3.1
203.05832	3.9
209.11819	3.8
211.08765	2.1
211.13300	4.4
213.10283	43.5
214.10588	2.5
215.11835	2.5
223.08667	2.2
225.00584	1.3
225.10258	3.7
226.11038	3.7
227.03497	3.7
239.11867	20.5
240.12224	1.5
241.13445	22.2
243.57628	1.3
251.11902	3.9
255.03017	3.2
272.15149	1.3
277.09683	1.7
281.09247	1.5
283.10855	5.0
284.03314	2.5
285.12451	100.0
286.12766	5.9
293.13043	7.1
301.12006	4.9
311.10306	3.0
313.12061	3.2
328.10898	3.5
328.14386	1.4
329.15826	2.8
330.16025	3.0
340.10605	1.4
341.11304	1.5
342.12372	3.4
342.16266	1.4
343.13025	8.5
344.13712	1.7
344.17773	3.2
345.18240	1.5
354.12268	1.6
354.16193	3.1
355.13574	1.3
356.13940	10.6
357.14664	3.1
368.17734	2.8
369.14554	2.6
370.15533	16.3
371.16122	5.2
372.16934	5.2
382.11740	2.6
384.13223	2.5
384.17532	2.0
389.13467	1.5
396.13422	2.3
397.14713	1.5
398.15082	16.9
399.15063	1.6
403.15265	7.5
412.16684	12.4
413.17236	8.6
416.15894	2.0
467.09824	2.0
481.23145	2.7
485.25385	3.3
493.22412	6.3
511.23645	14.5
512.23602	1.7
523.23511	6.7
524.23755	1.7
535.23572	26.7
536.23779	5.0
553.24567	61.9
554.24756	13.3
556.23639	3.4
561.21564	1.5
567.22803	1.8
579.22632	9.2
580.22449	2.4
585.25928	1.9
597.23578	64.2
598.23846	13.1
629.26862	31.9
630.26935	5.0
638.59039	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	629.2251
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
59.01255	12.7
61.62293	0.8
61.98685	2.6
65.00175	1.1
66.11536	0.8
69.03320	1.7
71.01251	8.1
71.57920	1.0
72.99174	1.4
73.02807	1.6
80.04916	2.5
80.91545	0.8
80.96357	3.1
82.95950	1.5
83.01233	1.6
85.02787	2.9
87.00729	1.5
89.02323	5.2
92.04939	1.6
93.03326	1.1
94.06477	2.2
96.95878	1.8
99.00740	1.5
101.02277	3.2
103.03847	0.9
104.04913	1.1
106.06509	22.3
107.01260	2.3
108.02010	1.8
108.04402	3.5
108.08052	2.4
109.02812	1.6
111.04365	1.4
113.02346	4.5
119.03339	1.6
120.04404	3.2
121.02767	1.3
122.06026	12.5
123.03101	1.3
125.02264	1.6
125.09567	1.3
132.04405	2.0
132.08029	1.0
134.03627	1.2
134.06023	6.6
134.09621	1.8
135.03191	0.9
135.08055	1.4
137.02316	1.0
138.05489	5.6
148.01524	1.3
148.03864	2.6
150.05507	25.2
151.00291	6.7
152.00932	0.8
152.07089	5.5
155.10735	0.9
160.03951	15.9
161.04376	2.1
162.05432	2.8
163.00238	1.6
165.01772	1.2
166.04933	1.1
171.10121	3.7
173.08386	0.9
174.05469	1.0
175.03848	1.7
176.06984	2.7
178.04947	2.5
178.99709	3.7
181.08472	1.1
185.11652	1.0
189.07838	1.2
193.03578	1.1
195.06551	1.1
199.03793	1.3
201.11263	14.8
202.12062	0.9
205.04947	1.2
209.11797	16.6
211.08646	2.8
215.11703	1.0
217.07213	1.6
221.11714	1.9
223.13179	1.1
226.02721	1.6
226.07280	1.1
227.03372	2.1
227.11813	4.6
229.09560	1.2
231.11267	1.2
235.08044	1.2
239.08055	2.8
241.09825	12.0
243.03026	6.0
243.11343	2.0
246.11285	0.9
252.08913	3.5
253.09630	7.1
254.10422	1.5
255.02957	15.6
256.03079	1.1
259.10812	5.8
267.11389	8.6
269.10019	0.9
269.12936	6.5
271.02493	29.9
271.10861	10.3
272.02631	3.2
277.09726	2.0
289.11972	8.3
295.10864	4.9
299.02017	4.3
300.02744	48.1
301.03476	21.8
301.11911	1.6
302.03656	1.7
311.10199	3.1
313.03552	1.9
313.11938	13.3
314.12097	1.3
329.11502	2.1
339.09824	1.5
355.09421	2.1
375.21457	1.4
420.15564	2.6
460.43015	0.9
462.63831	0.9
463.08783	25.3
464.08908	2.6
468.11499	1.6
468.17734	18.1
469.17993	1.8
494.18973	1.9
534.72461	0.9
568.25256	0.8
585.16034	12.2
586.16241	2.6
597.22986	0.9
599.17029	1.3
611.17590	2.9
611.29529	1.6
612.17810	1.3
624.32416	0.9
629.22174	100.0
630.11444	1.8
630.22552	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	629.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04423	0.5
54.48966	0.7
57.03335	0.9
59.01251	12.4
61.14762	0.5
61.98709	0.9
69.03309	1.0
71.01254	14.1
71.97579	0.5
72.99181	1.9
73.02821	1.5
75.00745	2.5
81.03333	2.2
84.59093	0.6
85.02827	6.7
87.00756	1.6
89.02319	7.9
93.03326	2.5
95.01283	3.7
96.95905	0.8
99.00759	1.2
101.02327	2.0
108.02053	79.6
109.02850	45.7
110.03171	1.6
113.02341	3.8
119.04951	0.6
119.08566	2.5
120.01165	1.8
121.02834	7.0
123.00767	2.5
125.02347	0.8
131.03358	0.9
131.40741	0.6
133.06436	0.6
135.00758	1.2
135.02896	1.3
135.04422	1.4
137.02376	0.6
145.02859	0.6
147.04506	0.7
150.03122	0.8
150.65041	0.5
151.03917	2.0
152.01059	100.0
153.01854	32.8
154.02219	0.8
161.04517	0.8
163.03979	2.6
163.07535	1.7
165.01810	1.9
171.10196	1.2
173.04507	0.6
177.01863	0.7
181.04956	1.2
193.04938	0.8
195.06636	1.2
233.06772	0.7
249.06218	1.0
271.22202	0.5
297.06107	1.6
315.07248	8.5
397.13251	0.7
408.10648	1.3
451.15854	1.3
461.14462	2.6
463.16077	5.4
469.93875	0.7
481.17053	1.5
599.19946	10.1
600.20209	1.4
611.19800	59.6
612.20117	8.2
629.20850	71.7
630.21259	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91973	1.2
57.03309	1.6
58.00447	1.2
59.01251	17.9
59.37611	1.2
60.64966	1.2
61.98698	1.2
68.99699	1.6
69.03337	1.3
70.55706	1.1
70.67081	1.2
71.01259	14.0
71.83886	1.1
72.99143	1.2
73.02807	2.4
73.05050	1.1
75.00723	3.3
81.03330	2.4
85.02816	11.0
87.00739	5.2
89.02318	8.4
93.03339	2.6
95.01250	3.1
96.95914	1.9
99.00742	2.4
101.02331	3.0
101.50978	1.1
108.02055	80.5
109.02850	49.9
109.03596	2.5
113.02338	5.9
119.08505	2.9
120.01188	6.0
121.02824	5.8
123.00724	2.0
125.02253	1.3
151.03917	1.8
152.01060	100.0
153.01848	33.2
154.02188	2.0
163.03946	2.4
163.07553	1.8
165.01805	2.6
171.10205	2.0
177.01740	1.3
181.05016	1.7
195.06523	1.3
244.72774	1.3
249.06218	8.3
267.07233	7.3
271.07379	1.2
297.06067	3.0
315.07245	7.7
315.10486	1.3
337.07672	1.9
350.11301	1.3
370.29010	1.3
461.14536	2.2
463.15985	5.9
481.17313	1.5
549.96356	1.8
599.19672	13.1
611.19806	74.4
612.20062	10.8
629.20819	93.5
630.21252	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	627.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.9
57.03319	1.9
58.00448	1.3
59.01251	24.9
61.61050	0.7
61.98691	3.4
69.03315	2.3
69.18730	0.7
69.50106	4.3
69.50516	1.6
69.90733	0.7
71.01256	33.8
72.01566	0.8
72.99183	3.2
73.02813	7.2
75.00737	1.9
78.95777	10.8
78.98466	3.5
79.95603	10.6
80.96391	38.4
81.03311	1.3
83.01241	2.4
83.04885	1.1
85.02822	14.5
87.00730	3.0
89.02312	16.2
93.90839	0.7
94.97975	8.1
95.01283	1.2
96.95860	1.9
96.96825	2.1
97.02825	1.4
97.06468	1.3
99.00751	2.8
99.04400	1.1
101.02314	6.3
106.97971	1.4
108.02054	1.9
109.02806	1.3
111.07981	1.1
113.02353	4.6
113.99432	0.8
115.00224	1.6
118.62292	0.7
119.03362	1.1
119.04897	0.7
121.10109	6.4
121.79037	0.7
122.97437	3.4
125.02318	3.7
125.09637	1.1
131.03348	2.4
134.03632	1.2
134.97466	2.6
135.04410	1.0
136.56273	0.7
136.99017	0.8
145.04945	1.0
148.99004	3.5
151.01343	0.9
152.00958	0.9
152.98399	3.6
152.99591	6.4
154.99872	1.1
161.02306	1.3
164.98560	6.5
165.09140	3.8
167.10654	3.4
171.10133	3.0
179.03339	0.9
179.05463	0.8
179.95279	0.7
181.08562	0.9
181.12273	1.0
182.99547	1.6
183.10194	0.7
183.13838	0.9
193.04897	1.0
197.11691	3.5
198.12097	1.1
199.01041	0.7
201.11209	2.6
202.20720	0.7
206.99588	2.1
209.11757	4.2
210.12056	0.9
211.13358	9.5
213.14789	1.0
225.00708	11.3
228.27966	0.9
237.14801	1.1
241.00999	2.3
241.14371	3.6
243.01675	1.9
251.12770	1.3
263.12695	2.4
291.19519	1.1
293.20578	1.4
299.04453	1.7
300.02573	1.7
301.03271	1.1
303.35138	0.8
309.20547	1.0
311.22089	0.9
315.14401	9.5
329.16092	16.0
330.16248	1.1
336.72311	0.8
391.24710	0.9
392.20758	0.9
426.67178	0.7
477.24817	1.6
627.27911	100.0
628.28259	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	629.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96060	0.9
59.01245	1.5
69.03316	4.0
69.25690	0.9
71.01263	1.9
89.02284	1.2
95.00612	0.8
95.01254	3.1
95.75613	0.8
97.02814	4.7
107.01280	1.9
108.02055	1.1
113.97712	0.9
123.00780	9.9
124.01560	24.6
125.02340	78.4
126.02666	3.0
137.02330	1.7
140.59129	0.9
149.99500	40.6
151.00282	6.3
152.01018	1.5
166.99831	1.2
167.03412	4.5
167.10631	1.1
168.00563	75.5
169.01352	21.3
170.54311	0.8
193.01357	1.1
463.16177	2.3
481.17160	11.1
482.17374	1.9
539.19476	1.0
611.19995	1.0
629.20850	100.0
630.21277	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	627.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03317	3.1
58.00462	1.5
59.01252	44.6
67.36558	0.9
69.03339	1.5
70.14342	2.1
70.14733	2.9
71.01257	44.3
72.99179	2.6
73.02816	9.4
78.95776	11.8
79.95614	2.3
80.96378	5.5
81.03322	2.5
83.01279	5.1
83.04878	1.2
85.02825	18.5
89.02321	21.5
94.97942	1.4
96.96832	2.5
98.20528	1.6
99.00738	3.0
99.04408	1.6
101.02325	7.6
103.03902	3.0
109.02800	1.1
113.02325	2.2
121.10143	11.7
121.73587	0.9
127.03911	1.1
131.03407	3.4
139.11211	1.3
145.04962	0.9
149.62929	1.0
152.98492	1.4
152.99530	12.8
164.98557	1.1
165.09116	7.8
167.10614	4.3
168.10892	0.9
171.00621	1.4
171.10268	0.9
181.12332	1.2
183.10176	2.1
197.11679	2.3
199.13339	2.0
202.71138	0.9
209.11787	3.0
210.12082	1.0
211.13333	3.7
223.00183	1.6
225.00752	1.9
241.01268	4.7
293.21320	3.4
297.13510	2.8
311.15109	2.8
311.22375	6.2
315.04895	2.0
315.14499	13.5
329.16055	22.4
330.16403	2.2
477.25180	1.6
627.29938	100.0
628.30341	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	627.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09673	0.6
57.03314	1.4
59.01254	5.0
59.22025	0.6
61.98700	0.8
69.03354	0.7
71.01259	6.0
73.02820	0.9
74.02320	1.2
78.95778	48.7
79.88920	0.5
79.95613	2.6
80.91561	3.1
80.96395	7.6
81.03324	0.7
83.04899	0.8
85.02839	2.7
87.00790	0.8
89.02328	2.1
93.00963	0.5
94.97967	1.3
95.16641	0.6
95.83537	0.5
96.95976	0.6
96.96230	0.8
96.96849	10.0
97.02880	0.6
97.06495	0.6
98.20510	1.2
99.05500	1.6
99.07991	1.0
101.02321	2.1
109.02827	0.7
113.09590	1.7
121.10136	1.4
125.02354	0.7
125.09598	1.3
126.07607	0.6
128.03407	3.4
129.09134	1.7
134.97545	0.7
139.11188	2.5
143.04530	3.7
148.99025	0.8
150.97908	0.9
152.99503	53.0
153.99802	0.7
160.00606	1.3
163.11188	1.8
164.98552	1.3
165.09102	1.0
165.12790	0.8
167.10732	1.0
167.14253	0.8
169.12268	1.0
171.00565	1.6
171.10194	5.1
172.17926	0.6
181.12338	1.2
183.13834	1.7
185.11777	0.7
193.12321	1.3
195.13820	1.4
197.11716	5.0
199.13342	2.7
209.11760	3.5
210.08881	1.3
211.13393	7.3
223.00127	5.0
225.00699	2.2
227.12846	1.0
241.01157	22.2
249.22319	0.7
253.09203	0.8
254.07848	1.4
255.02930	0.8
259.02246	1.9
272.08862	1.7
273.09195	1.2
293.21219	17.2
294.21536	2.2
300.02832	0.8
306.07675	3.8
307.07962	2.3
308.07309	0.7
311.22293	34.4
312.22583	2.3
315.04822	8.9
315.14432	2.0
329.16095	2.5
333.05679	0.9
437.44489	0.6
449.49564	0.6
500.63382	0.7
554.49384	0.6
627.27838	100.0
628.28180	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	627.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43589	1.5
56.36242	1.5
59.01252	100.0
60.91485	1.6
69.40455	13.1
71.01254	4.1
89.02324	2.2
93.03345	2.2
108.02055	4.3
109.02859	1.9
113.02332	2.2
137.02350	5.6
146.03671	9.1
152.01118	2.2
161.06023	2.2
164.04710	6.1
165.01860	42.5
169.10782	1.6
179.03442	8.7
179.07060	20.0
180.04210	26.0
181.04779	2.2
186.43307	1.9
195.06570	45.8
196.06895	2.1
209.11760	2.2
210.05276	6.2
225.07648	93.2
226.07971	4.5
254.38901	1.9
267.06952	2.1
280.72733	1.9
284.27597	2.0
290.18048	1.8
327.08487	2.2
342.10986	4.1
357.13538	9.0
398.14145	1.8
405.15448	11.5
411.86194	2.2
495.11377	3.7
627.25726	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	627.2696
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
57.03299	0.9
59.01040	0.5
59.01256	5.5
63.96114	1.3
64.25095	0.5
68.15715	0.6
69.03336	1.6
69.34116	1.8
69.34535	4.6
71.01250	7.9
72.99163	0.8
73.02825	2.4
78.98465	5.8
79.95609	14.6
80.96394	66.8
81.03312	1.2
85.02833	4.2
87.00750	2.3
88.98670	0.7
89.02312	1.0
93.03347	0.7
94.97960	15.4
96.95885	1.8
97.02814	1.8
101.02328	2.6
106.97985	2.7
109.02859	0.9
111.04423	1.4
113.02361	1.7
119.04968	0.7
122.97456	5.0
125.02321	3.4
125.09609	2.2
127.03882	1.0
129.20322	0.6
134.97490	4.4
136.99016	1.3
148.99051	6.2
151.00319	0.7
152.98511	6.6
153.09142	1.0
164.98560	10.9
165.01787	0.9
169.08620	8.2
171.10167	1.5
181.08630	9.3
182.99617	2.5
205.12440	0.8
206.99739	2.9
223.13370	0.8
225.00717	20.5
229.14536	0.9
243.01814	1.7
299.04352	3.2
347.67871	0.7
367.17496	0.7
385.18591	1.7
591.99469	0.7
627.26923	100.0
628.27197	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	627.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62381	1.4
59.01252	100.0
69.63439	7.1
69.63863	4.3
71.01247	4.2
73.02789	1.3
86.57026	1.3
89.02329	2.9
90.45816	1.4
95.35464	1.4
98.44060	1.4
111.00741	1.7
113.02354	1.9
125.02326	2.6
128.41583	1.6
129.93637	1.7
131.63385	1.3
135.04410	1.5
137.02321	2.1
146.03642	14.3
152.00987	2.2
161.05983	4.1
164.04701	10.4
165.01834	25.9
165.05524	1.5
167.03523	1.3
179.03427	15.4
179.07062	24.8
180.04202	26.6
180.07401	1.5
194.05743	5.3
195.06548	42.4
196.06895	1.6
209.11755	2.3
210.05237	6.5
225.07640	58.6
226.08022	3.4
299.09219	4.3
327.08731	18.6
328.08997	2.0
342.11060	22.8
355.58301	1.7
357.13419	86.2
358.13763	8.4
405.15555	20.1
465.10123	2.2
514.96417	1.8
627.24817	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50828	0.5
58.69379	0.5
59.01251	7.8
67.77004	0.6
69.03333	0.9
69.41675	4.7
71.01258	8.7
72.99166	0.8
73.02826	2.6
75.00714	0.5
80.96411	1.0
81.03343	2.7
83.01240	1.3
85.02821	5.9
88.98662	0.8
89.02324	1.3
91.01786	0.7
93.03307	0.9
94.47813	0.5
95.01249	2.5
96.95911	0.9
98.19794	0.9
99.00765	1.1
101.02338	2.5
103.03870	0.8
108.02057	66.5
109.02845	88.4
110.03178	3.2
113.02320	1.9
118.69607	0.5
119.04899	1.0
121.02872	0.9
121.10128	0.8
123.00763	3.0
123.04406	1.6
125.02357	1.2
135.00826	0.6
135.04434	0.5
137.02327	1.6
151.00273	0.7
151.03938	1.2
152.01065	65.1
153.01851	59.0
154.02174	1.6
163.03957	1.7
165.01863	0.9
167.10709	0.9
168.20383	0.5
193.05019	0.7
243.06589	0.9
289.07156	1.5
297.06201	0.8
315.07251	1.1
329.15872	0.8
337.08963	0.6
405.11578	1.1
465.17606	6.0
466.18286	0.9
521.59729	0.6
587.47095	0.5
627.22894	100.0
628.23248	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	627.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51469	1.7
55.38345	1.8
56.40562	2.2
59.00953	2.7
59.01257	55.2
71.01259	3.1
72.43793	2.3
75.00745	3.3
101.02314	2.9
121.02836	4.6
122.03613	4.9
149.02362	23.4
150.03139	49.3
151.00246	2.6
154.91696	2.2
161.02348	4.6
164.04662	6.1
165.05492	61.8
166.05861	3.1
176.04736	4.9
178.41864	2.1
179.03435	9.7
180.04207	3.2
194.05772	9.7
195.06570	100.0
196.06883	5.7
209.08153	39.7
210.08461	2.8
232.18330	2.2
271.02432	3.9
272.02899	2.5
300.02539	3.8
301.03299	8.3
302.03558	5.3
303.04111	3.5
342.11084	5.7
357.13440	42.2
358.13681	5.8
405.15475	22.4
463.08881	3.8
464.09067	8.3
465.09363	14.1
469.72037	2.6
627.14545	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	627.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	55.3
71.01259	2.6
75.00739	1.8
78.95848	1.2
85.02861	1.4
93.03311	1.4
95.01283	1.3
101.02357	1.1
109.02844	1.3
113.02267	1.1
121.02837	3.3
122.03661	5.5
125.02335	1.7
133.02844	1.6
137.02327	1.7
139.00325	2.1
140.59070	1.1
149.02338	10.5
150.03133	50.4
151.00287	1.4
151.03720	1.9
161.02341	5.8
163.00253	1.5
164.04776	2.0
165.01874	4.4
165.05486	70.8
165.99088	1.5
166.05833	3.7
166.99739	1.6
171.04465	1.8
176.04677	3.7
178.99773	1.7
179.03423	10.0
180.04202	7.5
191.07045	2.3
192.00505	1.3
194.05785	13.6
195.06557	100.0
196.06920	3.5
209.08136	46.4
210.08444	1.8
225.07571	8.3
229.97478	1.3
231.03011	1.4
243.02878	2.3
271.02457	6.8
272.02878	5.1
273.03232	4.4
287.02020	2.2
288.02341	2.4
289.02512	2.1
299.01968	7.2
300.02484	6.8
301.02661	5.8
302.02786	1.2
316.02261	6.9
317.02707	11.4
318.02972	9.6
319.03574	3.9
357.13242	1.3
361.47855	1.1
381.95697	1.3
387.14441	2.6
405.15439	3.6
435.16675	1.4
517.11951	1.3
627.14655	27.7
628.15009	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	627.2103
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
59.01243	0.8
69.53302	0.8
69.53703	4.4
83.68925	0.7
119.04867	2.7
206.22162	0.6
207.05170	0.6
277.81152	0.5
350.11935	0.6
437.12592	0.9
438.13321	2.4
451.14133	2.1
452.14807	5.8
465.15588	1.2
465.59036	0.7
466.16266	1.6
480.14594	1.2
481.15027	10.2
482.15735	1.5
484.14005	1.1
493.15479	1.6
494.15793	1.1
495.16782	20.6
496.16971	3.5
507.16562	1.0
508.18021	2.8
509.18048	1.5
512.13666	1.1
521.15063	1.2
523.16809	0.9
524.15833	0.7
535.16412	2.2
536.16968	4.5
537.17102	0.7
539.15509	1.4
540.17029	2.8
551.19421	41.9
552.19623	11.7
553.17334	0.8
554.17853	1.6
555.18994	1.1
567.18567	0.9
568.15942	1.4
572.15491	2.9
583.22156	0.9
586.17163	1.6
595.18457	7.1
596.18463	1.8
627.21002	100.0
628.21326	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	627.2103
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
52.93826	0.4
64.40762	0.4
73.02804	1.5
95.65746	0.4
98.19818	0.8
104.48188	0.4
132.90895	0.4
142.55286	0.4
154.46161	0.4
210.54860	0.5
343.17056	0.5
437.12012	2.1
438.13263	1.7
451.14117	2.3
452.14853	5.7
453.15082	1.3
463.17023	0.5
464.17883	0.8
465.16275	0.9
466.16437	0.8
469.11310	0.5
480.14291	1.2
481.14993	12.2
481.21106	0.8
482.15265	2.3
493.15244	2.4
494.15759	1.4
495.16782	22.6
496.17166	4.6
507.17368	1.6
508.18161	2.9
509.18045	2.0
512.13483	1.4
521.14709	1.3
522.15271	0.7
523.20538	0.9
526.15186	1.3
533.18158	0.6
535.16309	2.4
536.16760	3.4
539.15845	0.7
540.16663	4.0
541.15271	0.5
551.19427	50.8
552.19629	11.9
552.28101	0.7
553.17633	0.7
554.18140	1.8
555.18701	2.2
567.18951	0.9
568.16266	1.0
572.15436	3.0
573.15924	0.9
580.03406	0.5
586.17548	2.3
587.16962	0.6
595.18256	10.3
596.18665	2.5
626.26868	1.3
627.20929	100.0
628.21252	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	626.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31699	1.0
54.14985	1.2
58.02859	9.8
59.01256	2.3
64.74624	1.1
69.91926	6.9
71.01273	2.0
72.00769	1.2
74.02354	17.3
78.95776	11.7
79.95635	3.9
80.96428	2.6
81.04425	1.4
81.56339	1.0
82.02862	2.8
85.02832	1.2
86.02344	5.4
87.00771	1.1
87.05536	4.0
90.00082	1.3
96.91521	1.3
96.96869	2.7
97.03985	1.2
98.19800	2.3
99.05527	13.3
101.07119	1.8
102.05529	1.5
107.06077	2.1
109.03968	2.5
112.03959	1.5
116.01668	1.7
123.05576	1.2
125.03482	2.3
127.05077	2.0
128.03442	42.4
131.04570	1.1
135.05553	3.6
141.06639	2.4
143.04535	53.8
144.04924	1.1
145.06148	2.1
146.04495	5.1
152.99539	9.4
153.06604	4.1
160.00650	15.3
166.09720	1.4
167.04588	3.6
167.08234	1.7
171.10295	1.4
177.03317	7.0
179.04561	10.0
183.13820	1.6
185.05707	2.6
197.05688	2.8
209.11757	1.4
210.08769	10.1
211.13356	1.6
241.01201	4.1
254.07841	16.5
272.08908	33.9
288.06656	9.9
293.21194	1.9
306.07678	100.0
307.07816	6.2
311.22354	4.5
449.37805	1.6
453.82465	1.2
491.79605	1.1
536.29120	1.4
547.05939	1.3
626.26862	2.9
627.27936	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.9
59.52601	1.0
69.03295	1.3
71.01257	6.5
71.17121	2.4
72.01595	1.2
72.99176	2.0
73.02807	2.0
75.00750	1.5
81.03311	1.4
83.01261	1.4
85.02805	4.3
89.02312	2.4
93.03348	1.7
95.01248	3.2
101.02315	4.0
108.02056	50.1
109.02855	23.1
111.00752	2.9
113.02299	3.7
119.04880	1.8
121.02857	2.7
123.00751	3.0
123.04400	6.2
124.01460	1.2
125.02314	3.0
134.24109	1.1
135.00734	1.5
135.04443	1.0
150.02957	1.0
151.00273	3.0
151.03835	3.1
152.01064	63.6
153.01845	31.7
154.02206	2.0
163.03854	1.4
165.01843	3.5
166.02585	1.9
167.02129	1.4
167.03430	21.5
179.03490	1.3
180.04187	1.4
181.04965	1.1
192.94133	1.0
195.02945	2.4
195.06516	1.6
209.04440	1.3
209.11740	6.7
210.12051	3.1
225.07559	1.1
296.05246	1.4
297.06195	5.6
310.70282	1.1
311.07703	9.4
315.07034	3.5
352.95325	1.3
383.90048	1.1
398.13483	1.0
421.11227	3.1
433.07611	1.5
449.15781	1.2
465.10373	100.0
466.10709	11.3
479.12079	1.3
507.11310	4.1
532.20422	1.4
553.68292	1.2
627.15509	35.1
627.25360	2.6
628.16205	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	625.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51569	0.5
55.01752	1.6
57.03088	0.4
57.03328	3.8
58.00456	1.9
59.01251	34.7
60.93966	0.6
61.98691	1.7
65.00204	1.0
67.01762	0.7
68.99692	1.3
69.03310	2.0
71.01254	28.8
71.58041	0.8
72.01619	0.5
72.99184	6.3
73.02822	5.1
75.00750	13.0
78.95771	0.6
80.96389	2.1
81.03330	1.3
83.01259	3.7
83.04864	0.6
85.02825	16.6
85.03347	0.9
87.00748	7.1
87.04375	1.3
88.98681	0.7
89.02320	17.9
93.03366	0.6
95.01259	4.9
96.95890	4.4
97.02823	2.9
97.06506	0.9
99.00767	8.1
101.02324	14.0
103.00261	1.3
107.01267	2.4
108.02092	0.8
109.02843	1.0
109.06423	0.5
109.84653	0.6
111.00746	0.9
111.04359	0.9
111.08023	1.4
113.02332	17.0
113.35502	0.5
113.88947	0.6
115.00240	1.5
117.01848	2.0
119.03401	3.8
121.02866	0.7
123.00752	1.2
123.08041	1.2
124.01563	0.8
125.02360	4.7
129.01866	1.0
131.03416	0.7
132.23180	0.7
137.02391	0.7
139.00334	0.6
139.11166	0.6
143.03381	1.9
151.00296	5.6
152.01010	0.9
153.01839	0.9
153.09138	1.1
157.12263	1.8
160.01620	1.0
161.02370	1.2
161.04456	2.2
163.00262	0.5
164.98529	0.7
165.11380	0.8
165.12773	14.0
169.12292	1.2
171.10165	0.5
175.02533	1.4
175.03925	1.3
178.99780	2.6
179.05568	1.2
180.00267	0.7
181.08723	0.7
183.13837	100.0
184.14131	5.7
184.15468	0.6
185.11844	2.6
186.12012	0.7
195.62981	0.7
209.11797	1.9
215.12897	1.2
221.06580	1.7
225.00648	0.7
227.12837	14.8
228.13280	1.1
231.05095	0.8
235.08195	2.0
239.03371	0.6
242.02161	0.6
249.06120	7.1
263.07764	0.8
271.02435	1.3
280.03787	1.5
281.04422	0.9
287.09451	1.0
299.01950	0.6
300.02744	1.2
305.08945	0.8
314.04474	0.8
329.23270	2.2
342.03815	1.6
355.05020	0.6
357.26578	2.6
373.25974	1.8
374.26138	0.6
375.27512	44.5
376.27762	5.0
397.13431	8.3
398.13773	1.0
401.06726	2.5
402.72565	0.6
415.14597	4.7
417.05994	0.9
419.07874	0.6
428.05612	0.9
429.06158	3.4
430.06909	2.2
433.05579	1.3
434.06116	0.7
437.58545	0.6
445.05740	2.3
446.06387	2.3
448.08142	3.9
449.08719	3.8
450.08591	0.9
460.08072	2.3
461.08804	10.0
462.09250	1.9
521.33258	0.7
595.14679	8.2
596.15143	1.9
607.14648	6.2
607.24438	0.8
607.33875	1.2
608.15210	1.9
625.26996	87.7
625.34808	74.5
626.27362	16.2
626.35248	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	625.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
55.92567	0.7
57.03329	4.1
58.00457	2.2
59.01253	34.8
63.08039	0.7
67.01730	0.8
69.03335	1.5
69.23513	1.8
69.23914	8.2
71.01256	26.9
72.99184	5.4
73.02821	4.5
74.23940	0.7
75.00743	9.4
80.96416	1.2
81.03319	1.1
83.01254	2.3
85.02820	14.8
87.00748	7.1
87.04375	0.7
89.02321	15.8
93.03294	0.9
95.01268	3.8
96.95884	2.7
97.02831	2.9
97.06432	1.0
98.19854	1.7
99.00751	6.8
101.02335	11.6
103.00281	1.1
111.00787	1.4
111.08076	1.1
113.02335	14.7
115.00245	0.9
117.01820	1.3
119.03394	3.0
122.15956	0.7
124.01514	0.7
125.02345	4.4
129.01744	0.8
139.11137	0.8
143.03386	2.3
146.71558	0.7
151.00291	3.7
157.12180	1.2
161.04419	1.3
165.12773	12.1
169.12285	1.1
175.03889	0.9
178.99777	1.6
183.13837	98.6
184.14160	6.0
185.04448	0.7
185.11714	1.4
209.11847	1.9
215.12730	0.8
221.06563	1.1
227.12854	16.4
228.13200	1.3
235.08249	1.7
249.06157	7.3
262.18417	0.8
329.23395	2.1
357.26593	2.8
373.25870	2.1
375.27530	39.0
376.27658	3.8
397.13580	9.6
398.13525	0.8
401.06949	1.1
415.14658	4.4
429.05899	1.4
446.05991	1.4
448.08047	1.5
449.08832	1.5
460.08151	1.8
461.08688	5.0
557.94031	1.0
595.14551	5.1
607.14972	3.5
607.25488	1.1
608.15082	0.9
625.27045	100.0
625.34906	61.9
626.26282	15.5
626.35272	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	625.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.6
57.03321	2.6
59.01253	36.5
60.31096	1.0
69.03326	1.2
71.01257	25.1
72.99164	1.7
73.02811	5.2
75.00735	1.3
83.01249	4.7
85.02828	5.5
87.00764	4.1
89.02320	19.3
94.07516	0.8
95.01281	1.3
97.02821	1.8
98.20657	1.0
99.00780	1.6
101.02329	17.7
109.02849	1.0
111.08059	2.1
113.02335	7.4
119.03391	3.6
119.04926	1.8
125.02328	3.8
161.04463	1.6
162.88803	1.0
165.12785	12.1
166.13104	1.3
179.05499	1.8
183.13835	97.0
184.14191	5.2
196.87555	1.1
205.03203	0.9
209.11746	1.2
221.06648	2.4
227.12860	10.1
235.08182	1.3
240.57138	1.1
397.13461	12.6
415.14679	6.9
445.20654	1.1
521.33478	1.9
583.80023	1.0
625.27100	100.0
626.27563	16.0
654.05627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77850	0.8
55.01752	0.9
57.03337	1.2
59.01254	19.0
69.03342	0.9
69.46170	0.8
71.01255	15.4
71.57433	1.1
71.57833	1.1
72.99177	1.5
73.02816	2.5
75.00744	1.5
80.02570	2.4
81.03333	1.9
83.01273	2.6
83.04918	6.7
84.02048	1.0
85.02834	3.9
87.00753	4.4
89.02325	13.6
93.03326	1.2
95.01263	1.1
95.61574	0.8
97.02824	2.1
99.00763	2.7
101.02330	12.4
109.02861	1.6
111.00771	1.7
113.02326	5.9
119.03384	4.8
125.02355	4.5
131.03473	1.4
137.02318	1.0
139.00253	1.1
143.03384	1.5
151.00241	3.2
161.04463	1.9
163.11189	4.5
164.15704	0.9
165.12788	2.6
178.99733	2.7
179.05565	2.9
181.12419	1.0
191.10799	1.0
209.11792	100.0
210.12077	6.1
217.07018	0.9
221.06642	1.1
227.03331	1.0
227.12862	18.2
235.08220	4.7
255.02863	1.8
270.01666	1.8
271.02487	6.9
271.05905	1.6
272.03049	1.8
287.01974	2.3
287.07919	1.7
299.02084	6.3
301.10931	2.1
305.08823	1.7
313.10489	1.1
316.02261	9.7
317.02948	3.8
330.39233	0.9
388.10458	1.0
397.13492	23.5
398.13974	1.8
412.51129	1.1
415.14578	16.1
416.14810	1.7
463.08862	6.6
530.77570	1.0
625.13562	5.4
626.14148	1.0
652.39008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.6
57.03310	1.3
58.00456	1.1
59.01254	25.9
61.27143	0.7
62.53513	0.6
69.03307	0.8
71.01252	17.6
72.99180	2.7
73.02812	2.6
74.11756	0.7
75.00748	3.0
80.02539	1.6
81.03338	2.7
83.01266	2.8
83.04892	6.1
84.02022	1.5
85.02828	5.6
87.00751	5.3
89.02322	14.0
93.03382	1.0
95.01268	1.5
96.95859	0.9
97.02830	2.8
99.00751	2.7
101.02324	13.7
111.00698	0.8
113.02347	8.4
119.03400	4.0
119.04913	2.0
125.02349	4.1
129.01825	1.2
131.03302	0.9
143.03395	3.5
161.02318	2.0
161.04456	3.6
162.02733	1.1
163.03902	1.8
163.11234	5.0
165.12756	2.4
168.95537	0.7
179.03435	1.4
179.05496	2.9
190.02614	0.7
191.05650	0.7
191.10605	0.8
194.05830	1.4
198.48917	0.7
199.13280	1.2
209.08286	3.0
209.11774	100.0
210.12149	4.7
225.11372	1.4
227.12862	21.4
228.13101	1.9
235.08199	5.4
253.09259	1.6
263.07794	0.8
267.07208	0.8
271.02277	0.7
301.03580	1.0
305.08792	1.5
316.02191	0.9
323.09906	0.9
397.08350	1.5
397.13489	26.9
397.18634	1.6
398.13858	2.2
415.14557	17.9
416.14648	1.2
422.33432	0.8
462.11389	0.8
463.08655	0.9
507.16089	1.0
581.21588	0.8
625.30133	1.4
632.69098	0.8
635.88623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.6
58.00480	2.4
59.01255	28.7
65.00182	1.3
69.03341	1.2
69.57254	8.8
71.01255	25.6
72.99182	4.0
73.02820	5.6
74.97278	1.1
75.00745	3.6
78.95834	1.0
80.02534	1.2
81.03330	2.3
83.01269	5.6
83.04459	1.0
83.04884	7.2
85.02827	7.8
87.00751	5.3
89.02328	21.8
93.03356	1.7
95.01280	2.7
95.04903	1.2
96.95859	2.0
97.02824	2.5
98.19765	1.3
99.00791	2.3
101.02323	17.1
107.01260	4.1
109.02850	4.9
109.99979	3.3
111.00741	5.1
113.02336	12.3
116.92715	1.3
119.03407	6.1
120.75575	1.1
121.02843	1.8
123.00761	3.4
124.01535	2.2
125.02335	8.1
131.03395	2.0
133.02837	1.3
135.04384	1.5
137.02371	2.6
137.99457	1.9
139.00296	6.2
143.03450	2.2
143.04518	2.1
149.02377	2.5
149.04523	1.3
151.00301	9.5
151.03918	2.3
152.01022	4.4
153.01855	3.5
161.02341	1.4
161.04457	3.4
163.00269	3.3
163.03944	1.4
163.11212	5.1
164.01064	1.6
165.01837	1.8
165.12866	2.4
165.99031	5.4
166.99792	2.5
173.02591	1.2
175.03946	2.8
178.99838	8.7
179.05534	4.0
180.04224	2.5
181.04988	1.4
187.03966	1.8
191.10690	1.8
193.05020	1.2
195.06546	2.1
199.03905	2.5
199.13339	7.7
203.03529	3.1
205.93097	1.3
209.11786	100.0
210.12108	6.5
211.03888	1.2
214.02711	1.7
215.03349	2.9
227.03506	4.2
227.12865	33.6
229.14583	1.2
231.02951	1.5
235.08127	5.2
242.02228	2.7
243.03053	7.8
245.04593	1.3
253.09222	2.0
255.03026	9.3
259.02414	2.6
260.02896	1.6
270.01688	4.5
271.02490	37.9
271.05441	1.9
272.03140	7.4
273.03848	2.1
287.02008	11.7
288.02655	6.1
298.01254	1.5
299.01956	27.2
300.02698	17.9
301.03494	19.9
306.07727	2.5
307.07892	1.4
315.01407	2.5
315.14471	4.1
316.02252	41.6
317.02945	20.3
318.03400	2.3
329.15958	3.3
330.47699	1.3
355.02771	1.2
397.13531	30.6
398.13840	2.2
415.14542	21.7
421.18573	6.0
463.08966	4.6
607.13110	1.9
625.14093	64.1
625.26288	8.6
626.14459	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	625.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.4
59.51998	0.6
70.17255	0.6
71.01244	0.7
72.90046	0.6
89.02377	0.6
98.19720	1.1
101.02290	1.3
105.14652	0.6
122.05997	0.5
134.06052	1.4
185.21634	0.5
209.11803	1.4
211.08839	0.7
213.10251	5.5
215.11833	0.7
230.04912	0.8
237.10132	0.7
238.91774	0.6
239.11949	0.9
267.11554	1.0
297.12491	0.7
299.13989	2.3
328.10861	1.2
329.11578	0.6
340.10999	1.1
342.12390	1.3
346.11810	1.0
350.98987	0.6
354.12320	0.6
361.27136	1.2
385.14178	1.1
386.14563	0.8
389.27051	1.1
398.14883	1.2
405.13791	1.8
407.27777	2.2
408.36142	0.7
419.15576	1.1
420.11685	0.8
420.17181	1.0
421.16757	0.8
432.12253	1.3
433.12988	4.4
434.13724	1.6
435.14075	1.1
447.14670	3.6
448.15414	11.6
449.15869	6.9
450.16629	2.1
462.17654	0.9
463.17807	20.7
464.18295	4.8
465.19232	1.4
473.16141	1.0
475.14160	1.7
476.14346	1.2
477.19516	3.9
478.20020	2.6
479.20895	15.5
480.21262	2.6
490.16608	1.0
491.17282	27.6
492.17346	6.0
501.18723	0.8
505.18936	4.2
506.19504	8.5
507.20035	3.5
519.20831	3.0
520.21149	3.0
523.19910	2.4
524.20599	1.4
538.22253	28.2
539.22937	8.7
551.23224	1.0
552.23895	1.0
561.21881	1.2
593.24054	8.1
594.24298	1.5
625.26697	100.0
626.27057	21.8
626.34607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2668
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
57.06100	0.8
59.01250	1.8
69.23579	8.8
71.01279	0.8
73.02827	1.5
76.27226	0.7
76.59098	0.7
83.72829	0.7
101.02382	0.8
126.30072	0.8
134.05971	2.0
181.29753	0.8
197.07092	0.9
209.11761	1.8
211.08757	0.8
213.10281	11.1
215.11803	1.1
237.10295	1.2
239.11909	1.1
267.11404	1.3
267.82535	0.9
292.11151	0.7
295.10696	0.9
299.13861	2.1
315.10016	0.9
328.10907	2.0
342.12665	1.7
346.11517	1.0
356.10144	1.2
356.14081	1.0
368.10229	1.1
385.14200	1.8
388.25562	1.5
389.26059	1.2
398.14847	1.3
405.13943	1.1
406.15555	0.8
406.26971	1.1
418.10852	1.7
419.15558	1.6
420.16364	1.1
421.16647	1.4
432.12296	1.5
433.12894	6.4
434.13791	3.5
435.18735	1.1
439.21429	0.9
447.14468	5.2
448.15421	14.2
449.15875	9.1
450.16928	2.3
462.17200	1.2
463.17712	24.2
464.18378	5.0
465.19339	2.0
475.14172	1.4
477.19937	4.3
478.19815	2.7
479.20889	18.2
480.21136	3.3
490.16287	1.2
491.17206	37.2
492.17651	7.3
505.18430	4.7
506.19562	9.8
507.19998	5.8
519.20166	1.3
520.21234	3.1
523.19922	3.6
524.20422	1.9
525.24823	1.1
538.22235	41.0
539.22754	13.5
540.23248	1.4
552.23810	1.2
561.20477	1.0
593.24097	10.1
594.24335	2.6
610.24133	0.9
625.26654	100.0
626.26996	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	625.2633
Annotation	Hanburinone
Peak:m/z	Relative Intensity
59.01257	1.6
61.98678	1.4
72.14996	0.6
78.95779	47.9
79.95612	0.9
82.06223	0.7
96.96844	9.6
97.02824	0.9
97.54488	0.7
98.01783	0.7
98.20825	0.6
100.69098	0.7
102.65505	0.7
111.08042	6.3
113.58026	0.7
149.09464	0.7
152.99495	56.6
163.11134	0.7
165.12808	1.0
169.12242	3.1
171.00528	1.7
193.12202	0.8
197.11760	29.7
197.66678	0.7
198.12077	1.5
209.11758	1.6
211.13295	3.7
223.00117	6.0
227.12819	1.4
231.51839	0.8
241.01169	21.7
241.74133	0.8
242.01508	0.7
247.20694	0.9
259.02179	1.7
291.19690	6.7
292.20026	0.8
309.20734	14.8
310.20953	0.9
315.04825	10.2
333.05826	1.2
487.40643	0.8
529.97900	0.7
625.26270	100.0
626.26636	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	625.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37502	0.6
59.01239	3.2
61.98695	2.7
69.03326	0.8
69.26572	7.9
71.01259	1.7
73.72890	0.7
78.95781	64.7
80.96389	1.5
85.02845	0.7
89.02329	1.4
96.95877	0.9
96.96847	12.3
97.02835	2.8
97.06483	0.7
110.38380	0.7
111.08037	7.2
119.87112	0.7
125.09597	1.3
137.09596	0.8
152.99500	71.4
153.99828	1.4
165.12764	1.4
169.12271	3.9
171.00580	1.5
171.10135	2.0
172.49881	0.7
176.95769	0.6
178.99748	0.6
181.12296	1.4
183.13814	1.1
193.34157	0.8
194.05110	0.7
197.11772	31.8
198.12054	1.2
199.13327	1.2
209.11739	3.5
211.13394	4.6
223.00076	8.1
227.12799	1.6
241.01154	28.0
242.01566	1.1
247.20757	1.4
247.31989	0.7
249.83617	0.8
259.02231	1.1
263.20096	1.2
270.87399	0.6
291.19604	10.3
292.20047	0.7
309.20731	19.6
310.21033	1.7
315.04849	12.4
333.05902	1.5
625.26288	100.0
626.26721	14.9
626.36481	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2535
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
55.01765	0.8
57.03315	1.3
58.21627	0.6
59.01256	8.4
60.60500	0.7
61.98694	4.3
63.96080	0.8
68.00591	0.6
69.03326	1.2
69.23217	1.4
69.23621	6.8
71.01258	12.5
72.99154	2.0
73.02814	2.9
75.00740	3.3
78.98458	4.5
79.95605	25.8
80.96395	70.4
81.03322	1.1
83.01245	1.6
83.62263	0.8
85.02824	7.2
87.00760	4.9
89.02329	1.5
94.97380	1.0
94.97964	14.5
95.01244	1.2
96.95888	1.3
97.02796	2.3
99.00758	1.6
101.02331	4.3
106.97972	2.9
107.33102	0.7
107.82784	0.8
113.02353	3.6
114.98738	0.7
118.44649	0.7
119.04886	2.1
122.83221	0.7
122.97472	6.5
125.02311	5.8
127.03900	1.3
134.03616	1.4
134.97469	4.5
136.99008	1.7
146.97545	1.0
148.99060	5.1
151.00221	1.2
151.03847	0.8
152.98538	7.2
161.04562	0.8
163.03931	1.7
164.98540	12.5
175.02480	0.9
175.03868	1.4
176.68333	0.7
182.99574	2.9
190.77419	0.7
193.04979	1.5
206.99577	3.6
209.11824	3.4
225.00691	24.0
226.01198	0.8
227.12584	0.9
235.06120	1.4
243.01797	2.3
245.38541	0.7
266.51361	0.8
269.13885	3.1
271.19073	1.1
299.04419	3.8
357.26349	1.2
371.06421	1.0
375.27475	5.4
397.13708	0.9
427.12677	1.1
441.14426	1.4
449.27362	0.8
472.25119	0.8
509.16714	2.0
625.25232	100.0
625.33887	7.2
626.25549	17.1
626.33472	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.1
59.01250	11.8
61.98703	5.5
63.96130	1.0
69.03329	1.8
71.01257	16.4
72.99164	2.8
73.02818	4.3
75.00761	5.2
78.30592	1.0
78.95780	1.7
78.98453	5.5
79.95609	18.7
80.96395	65.3
81.03324	2.0
83.01248	2.1
85.02827	10.2
87.00758	4.2
88.98678	1.2
89.02306	3.1
93.03329	1.2
94.97381	1.4
94.97961	17.8
95.01251	2.7
96.95882	1.9
97.02821	3.3
99.00790	4.2
101.02338	4.2
106.97952	3.3
108.02044	3.7
109.02865	1.9
113.01661	1.0
113.02335	8.2
119.03458	1.5
119.04922	30.9
120.05279	1.1
121.02830	1.1
122.97491	7.2
123.04421	1.2
125.02356	7.1
134.03558	1.4
134.97479	4.5
136.98967	1.1
139.03905	0.9
148.99039	5.0
151.03912	1.2
152.01022	2.5
152.98503	7.6
153.01880	1.0
160.01596	1.8
161.02350	1.2
161.04541	1.1
163.03920	25.4
163.82727	0.8
164.04160	1.4
164.98544	11.8
172.73805	1.1
175.02504	0.9
175.03920	1.4
178.99893	2.5
182.99542	3.3
193.05069	1.7
206.99675	4.5
209.11787	5.0
210.12035	1.0
225.00713	24.4
227.12836	2.0
243.01720	2.2
249.06146	1.8
259.06024	4.2
287.05466	3.1
289.07278	1.0
299.04370	3.4
317.16086	1.7
375.27350	5.4
424.31223	1.0
450.28058	1.1
470.77963	1.1
481.17120	1.3
581.26636	1.2
625.25177	100.0
625.34033	12.3
626.25458	17.9
626.34766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.5
59.01250	19.2
61.98703	49.2
62.57761	0.9
63.02269	2.4
65.00175	3.8
67.56516	0.9
68.99706	0.9
69.03338	1.0
71.01250	15.8
71.01620	1.5
71.58431	1.1
72.99185	3.7
73.02822	3.1
75.00752	8.8
78.95782	5.6
78.98449	1.4
79.95621	2.6
80.96394	13.8
83.01245	5.1
85.02824	11.3
87.00743	4.0
88.98660	0.9
89.02337	4.5
91.11002	0.8
92.07188	0.8
93.03365	1.2
94.97957	3.8
95.01271	1.6
96.95897	15.0
96.96822	1.6
97.02835	1.8
99.00765	4.2
101.02308	6.0
106.17041	0.8
106.97997	1.0
107.01278	9.1
108.02045	1.3
109.02853	2.9
111.00739	1.0
113.02327	9.3
117.03291	0.8
119.03427	1.4
119.04938	1.5
119.08627	1.0
121.02843	3.8
122.97459	1.0
123.00807	0.9
124.01569	2.0
125.02348	4.1
128.03409	1.0
134.03683	0.9
134.97412	1.3
135.00804	0.9
135.04457	1.6
137.02328	1.6
145.02847	3.2
146.03583	1.2
147.04375	1.0
148.01575	2.3
148.99065	1.0
149.02402	1.9
151.00285	30.8
151.01508	1.6
151.03937	1.4
152.01006	2.3
152.07028	0.8
152.98436	1.3
152.99509	2.1
153.01743	0.9
155.04886	1.2
159.04445	1.0
161.02306	2.4
161.04504	1.2
161.05914	0.8
163.00296	2.2
163.04021	1.0
164.04730	1.1
164.98543	2.4
169.01407	2.9
171.04398	2.1
175.02400	2.5
175.03888	1.7
175.07568	0.9
178.99803	10.2
179.07054	0.9
183.04417	3.2
183.10069	1.1
185.02429	1.0
187.03957	1.8
191.05606	0.9
193.04961	1.1
199.03918	8.1
201.01880	1.0
203.03510	1.0
205.04938	2.1
209.11769	3.1
211.03966	1.7
214.02599	2.0
215.03458	4.4
221.19109	2.3
225.00662	3.9
226.02628	1.7
227.03525	7.5
227.12883	2.4
228.03923	1.0
229.05032	1.0
241.01280	4.1
242.02196	2.8
243.02975	19.2
244.03459	1.7
245.00858	2.6
245.04274	1.2
254.02205	1.8
255.02974	21.7
256.03479	2.4
257.04599	1.2
265.18210	2.1
269.04578	1.0
270.01636	6.0
271.02475	57.4
272.02960	5.9
283.02484	1.9
283.19104	2.5
285.03983	2.3
297.04007	2.8
298.00983	1.8
299.01962	100.0
300.02713	81.0
301.03510	58.7
301.20166	7.6
302.03864	3.5
313.03516	1.5
315.05066	2.4
341.03006	1.5
342.03494	0.9
343.04642	2.0
421.09344	2.3
431.26389	2.0
445.07755	23.7
446.08499	16.4
447.09326	42.6
448.09711	5.3
449.08875	4.6
449.27594	7.0
459.14914	1.3
461.08804	8.2
462.08972	1.0
463.23029	1.0
479.09860	32.9
480.10437	4.3
583.33234	0.9
595.14166	2.1
624.29694	3.0
625.15045	2.9
625.25372	19.5
625.31396	11.2
626.16565	1.1
626.26025	3.0
648.42767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55412	0.5
52.47198	0.5
57.03329	0.7
59.01254	7.1
61.98705	17.1
63.02262	1.2
65.00191	3.0
67.46217	0.5
71.01263	4.2
71.20856	0.6
71.21196	1.1
72.99197	0.8
73.02832	1.3
75.00735	1.6
78.95784	2.7
78.98500	0.5
79.06465	0.6
79.95625	1.1
80.96388	5.1
83.01273	2.9
85.02838	2.4
87.00774	1.0
89.02317	2.4
93.03325	0.6
94.98002	1.0
95.01265	0.9
96.96834	0.8
99.00729	0.7
101.02338	2.3
101.03819	1.1
107.01273	5.6
109.02792	1.0
113.02308	1.9
119.03431	1.1
121.02840	1.7
122.97492	0.7
123.04387	0.8
123.14401	0.7
124.01536	0.7
125.02329	3.3
133.02817	0.8
134.03668	0.7
135.04387	2.9
137.02350	0.7
143.04912	1.0
145.02881	1.1
146.03711	0.7
148.01595	0.7
149.02281	0.9
151.00285	18.7
151.03868	0.9
152.00754	0.6
152.98438	0.7
152.99544	1.0
155.04987	1.2
157.02852	0.9
159.04454	1.0
160.01559	1.2
161.02338	2.2
163.00261	1.3
163.03886	0.6
164.98584	1.1
169.01370	1.6
171.04437	1.8
175.02457	0.8
175.03909	2.8
178.99808	3.7
181.08652	0.8
182.99695	0.6
183.04417	3.0
185.02319	0.9
186.03180	1.1
187.03880	1.6
189.01805	1.0
190.02611	0.6
191.24127	0.7
193.04993	1.2
199.03938	7.9
200.04630	0.6
203.03481	1.2
209.11766	2.6
211.03979	0.7
214.02699	2.6
214.39854	0.6
215.03381	3.5
225.00684	1.2
227.03452	7.0
227.12872	0.8
228.03831	0.7
231.02803	1.0
241.01378	10.6
242.02151	5.1
243.02995	14.5
244.03331	0.8
245.00926	6.7
246.01167	0.8
255.02965	12.5
256.03320	1.0
270.01685	16.0
271.02475	40.3
272.02829	3.3
283.02371	0.8
285.04092	0.7
287.05573	2.2
289.07104	1.1
289.25833	0.6
298.01202	7.5
299.01968	100.0
300.02661	28.4
301.03479	15.2
313.03503	2.1
337.09329	0.9
341.02737	0.7
445.07776	59.1
446.08444	22.2
447.09210	8.1
448.09265	1.0
449.08878	2.5
461.08841	5.4
461.73288	0.6
462.09351	0.8
479.09802	7.4
480.10263	1.1
595.14844	0.9
624.33850	1.1
625.15350	2.8
625.25580	9.4
626.15338	0.9
626.25189	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	625.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.5
65.00204	1.1
71.01247	1.4
71.57949	1.4
72.99195	0.7
83.01247	0.8
85.02830	1.3
96.95934	0.7
107.01278	1.2
109.02833	1.3
111.00792	0.7
113.02328	0.8
121.02857	1.2
149.02347	0.9
151.00288	6.0
163.00244	1.0
167.51566	0.7
175.00293	1.5
175.03957	0.7
178.99803	1.2
193.01274	0.8
199.03975	3.4
201.01855	1.1
202.02625	0.6
209.11806	2.8
215.03424	2.0
227.03497	3.4
242.40822	0.8
243.03017	4.7
255.02956	1.8
271.02499	51.1
272.02844	4.5
299.01978	100.0
300.02557	18.4
301.03534	47.4
302.03937	3.1
313.03268	0.7
343.04657	1.7
386.46588	0.6
462.08075	23.7
463.08820	37.4
464.09290	3.5
505.09949	1.3
625.14124	63.9
626.14368	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	625.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88793	1.0
57.03337	1.2
59.01258	10.8
65.00210	5.0
71.01263	11.4
72.99155	1.2
73.02820	1.5
75.00739	1.5
79.20366	1.0
80.09814	1.0
82.98149	1.0
83.01260	4.1
85.02828	4.5
87.00761	3.0
89.02330	7.2
93.03320	1.1
95.01256	3.0
98.20535	4.2
99.00774	3.2
99.69732	0.9
101.02331	4.8
107.01295	6.2
108.02081	1.7
109.02842	6.5
109.99986	12.6
111.00789	6.1
113.02336	3.2
116.97476	1.1
117.03323	1.2
119.01307	1.0
119.03392	2.3
121.02847	2.3
123.00784	6.9
124.01611	5.3
125.02338	7.4
131.03445	1.4
133.02864	2.7
135.00760	1.2
136.01620	1.3
136.98708	2.4
137.02368	5.6
137.99507	3.6
138.54185	1.3
139.00264	13.5
139.03897	1.9
143.03522	1.6
143.04903	1.9
145.02817	1.7
146.03725	1.3
147.04431	1.3
148.01575	1.5
149.02393	2.6
151.00296	17.7
151.03900	1.3
152.01086	9.1
152.99513	1.1
153.01817	2.2
155.05037	1.8
159.04405	2.7
161.02377	2.8
163.00337	5.6
164.01045	3.2
165.01805	2.2
165.07535	1.4
165.99014	11.5
166.99736	6.7
169.01292	1.4
171.04416	3.5
172.05203	1.2
173.02357	2.8
174.03114	2.1
175.00262	1.1
175.03911	3.2
177.01746	1.3
178.99779	18.1
181.01503	1.4
181.04932	2.4
183.04431	1.4
185.02374	1.6
186.03122	1.6
187.03941	6.1
189.01819	3.7
190.02705	2.1
192.00575	1.3
194.99214	1.7
197.02307	1.2
198.03073	2.5
199.04028	8.7
199.13353	2.0
201.01889	4.0
201.05469	1.4
202.02501	1.8
203.03395	4.5
206.99251	3.6
208.00066	2.9
209.00890	1.1
209.11749	16.6
213.01868	2.0
214.02611	4.3
215.03468	5.5
216.04112	2.2
217.05022	1.5
219.02937	1.7
226.02792	2.2
227.03442	10.5
227.12840	4.7
229.01343	2.1
230.02109	1.5
230.22450	1.3
231.03079	6.6
232.03799	1.4
235.08167	1.4
241.01375	3.3
242.02156	8.1
243.02963	16.2
244.03546	3.0
245.04608	2.9
254.02533	1.3
255.02986	11.9
259.02527	7.9
260.03210	2.1
270.01700	9.5
271.02493	66.7
272.03021	10.4
273.03973	4.6
287.01971	24.5
288.02637	12.7
289.03470	1.8
298.01187	3.1
299.01981	52.0
300.02606	9.7
301.03461	5.1
306.07678	1.2
315.01431	2.9
315.14481	5.1
316.02234	84.7
317.03000	50.2
318.03354	3.6
327.13147	4.0
329.16156	1.7
341.03174	1.3
359.04187	1.4
397.13477	4.9
415.14539	2.3
421.18756	10.2
463.09003	6.0
479.08212	4.9
500.21915	1.2
607.12982	3.2
625.14099	100.0
626.14142	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	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	18.6
69.49390	6.7
69.49812	11.3
70.22701	1.9
71.01247	14.8
72.99226	2.7
75.00710	1.9
83.01268	3.5
85.02818	6.8
87.00737	2.1
89.02314	9.1
91.22464	1.8
93.03332	3.8
96.95915	3.0
99.00767	3.6
101.02316	7.1
107.01281	7.1
109.02842	4.5
110.00005	5.8
111.00767	5.0
113.02313	5.7
114.58773	2.2
115.08054	2.7
119.03400	2.0
119.04910	1.9
121.02862	2.7
123.00790	4.9
124.01556	4.2
125.02314	12.1
128.03407	2.2
137.02336	20.1
137.99509	2.9
138.03127	4.2
139.00287	9.9
139.03902	8.7
143.04623	2.2
149.02403	2.1
151.00278	19.0
151.03925	7.7
152.01036	5.6
152.04613	3.5
153.01759	2.5
154.02669	2.3
163.00322	2.0
163.03841	4.4
164.01062	2.4
165.98952	7.9
166.99802	3.0
169.01369	2.6
171.04321	2.3
175.03874	3.0
177.05487	3.8
178.99834	11.5
180.00446	2.3
180.04169	5.5
181.04959	8.0
187.03976	3.2
189.01834	3.6
189.05669	2.3
194.05731	3.1
195.06555	19.1
195.42052	2.1
199.03902	6.6
199.13367	3.4
201.01923	2.8
203.03467	4.2
206.99358	2.3
207.06660	3.5
208.00108	2.9
209.08199	3.6
209.11795	18.5
211.03999	2.6
214.02736	3.0
215.03432	6.4
216.04427	3.0
227.03436	3.3
227.12880	4.6
231.03014	4.6
242.02110	4.3
243.02905	10.7
244.03543	3.3
255.03024	9.1
256.03241	2.1
259.02444	5.1
270.01770	5.8
271.02487	46.6
272.03046	7.0
273.03802	3.5
287.02048	16.2
288.02689	6.5
298.01193	2.2
299.01981	41.7
300.02582	13.1
301.03427	16.4
306.07715	2.3
315.14410	5.6
316.02243	62.0
317.02957	30.6
318.03333	2.7
327.12961	6.3
329.16095	2.4
361.12787	4.8
391.14056	13.1
397.13370	5.6
406.16379	14.4
415.14630	3.5
421.18710	100.0
421.63806	2.2
422.18945	6.7
445.88705	2.5
463.08716	12.3
479.08224	3.2
607.13074	3.8
625.14099	74.9
625.26331	6.7
626.14471	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	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17328	0.9
59.01236	3.9
63.02270	1.3
65.00200	2.7
68.78220	0.9
71.01254	3.7
72.99187	0.9
83.01264	1.2
85.02818	1.7
87.00771	1.5
89.02319	1.6
95.01273	2.1
96.99133	0.9
98.19783	2.5
99.00741	1.8
100.45480	0.9
107.01262	1.9
108.02062	1.0
109.02855	2.8
109.99985	6.4
110.57949	0.9
111.00787	4.4
112.51963	0.9
113.02322	2.2
123.00745	4.5
124.01547	2.9
125.02285	1.7
137.02310	1.8
137.99452	2.8
139.00296	7.4
141.98912	0.9
149.02295	1.2
151.00284	12.1
152.01100	6.5
161.02341	1.0
163.00264	2.3
164.01079	2.2
165.99016	6.9
166.99782	3.0
169.01347	1.4
171.04407	1.3
173.02170	1.0
175.03949	1.8
176.01021	1.0
178.99785	15.2
180.00192	1.2
183.04388	1.6
187.03896	2.9
188.04662	1.2
193.98497	1.1
198.03154	1.7
199.03940	4.2
201.01862	2.4
202.02663	1.5
203.03456	3.1
209.11777	3.7
211.03946	1.1
214.02634	3.1
215.03410	4.5
216.04161	1.9
226.02620	1.1
227.03436	5.9
229.01346	1.5
229.76758	1.1
230.02379	1.3
231.02919	4.1
232.03679	1.1
241.01363	1.3
242.02171	5.1
243.02960	10.0
244.03546	2.0
254.02342	1.0
255.03006	8.3
259.02484	3.2
267.07230	1.4
270.01743	5.3
271.02493	44.5
272.03122	8.9
273.03943	1.8
287.02002	14.7
288.02780	9.7
289.03125	1.1
298.01160	2.0
299.01978	53.9
300.02612	9.3
301.03629	5.2
315.01303	3.4
316.02237	100.0
317.02835	16.8
345.15564	1.4
463.08792	3.2
607.13043	2.4
625.14063	60.7
626.14435	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	625.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
59.00991	0.3
59.01254	4.0
63.02253	1.0
64.94421	0.2
65.00195	2.3
70.91782	0.3
70.92113	0.4
71.01260	3.2
72.99167	0.6
73.02808	0.5
83.01260	1.9
83.04902	0.3
85.02818	1.4
87.00748	1.1
89.02324	2.5
93.03307	0.7
95.01295	0.2
99.00739	0.6
101.02320	1.4
103.00275	0.5
103.03889	0.3
107.01274	5.2
108.02073	0.8
109.02802	0.7
111.00727	0.3
113.02335	1.5
119.03367	0.8
120.74466	0.3
121.02848	4.1
121.10083	0.3
124.01546	0.2
125.02337	0.5
131.03357	0.3
131.58217	0.2
135.00780	0.4
139.03920	0.3
143.04932	0.4
145.02873	0.5
148.01581	0.6
149.02328	0.7
151.00281	24.5
152.00873	0.8
153.01808	0.5
155.04921	0.4
155.83690	0.2
157.02899	0.2
159.04364	0.3
161.00827	0.3
163.00285	1.4
163.03801	0.4
163.06073	1.1
163.07393	0.3
164.00978	0.5
164.06435	0.2
165.01881	0.2
167.03409	0.8
169.01357	2.3
171.04399	0.4
173.04521	0.2
175.02364	0.2
175.03906	0.4
177.05472	0.4
178.99788	12.7
179.05641	0.2
180.00143	0.3
183.04480	0.9
185.02306	0.5
185.06038	0.4
187.03967	0.6
192.00517	0.4
193.01358	0.4
195.06505	0.3
197.22809	0.2
199.03926	2.4
199.13222	0.4
201.05492	0.4
203.03493	0.4
207.06516	0.2
209.11809	1.8
211.03920	1.0
215.03461	0.9
216.04163	0.2
226.02660	0.5
226.10072	0.2
227.03464	2.4
227.12892	1.5
228.04019	0.3
229.05008	0.7
239.03328	0.3
243.02974	7.1
244.03401	0.6
245.04527	1.0
254.02193	0.8
255.02963	14.0
256.03378	1.0
257.04581	0.7
271.02481	25.6
272.02994	2.6
273.04089	1.5
283.02444	0.6
297.11813	0.5
299.01981	14.3
300.02740	56.1
301.03506	71.3
302.03873	5.3
313.03360	0.3
315.14532	0.8
316.02087	0.8
316.14719	0.5
317.02835	0.3
343.04501	0.3
345.15475	0.8
397.13480	0.9
415.14786	0.7
421.18790	0.5
443.11935	0.3
462.08078	2.5
463.08823	100.0
464.09149	11.4
464.15829	0.4
532.30237	0.3
581.20056	0.3
625.14124	12.9
625.25049	1.0
626.14734	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.6
57.03322	3.1
58.00463	1.1
59.00949	1.2
59.01253	21.0
64.40259	0.5
67.01707	0.6
69.03320	1.7
71.01257	23.2
71.04898	1.0
72.94446	0.5
72.99168	1.8
73.02827	5.7
81.03330	1.7
83.01264	4.6
83.04903	3.2
85.02827	6.6
87.00750	9.3
87.04348	0.7
89.01770	0.6
89.02321	11.8
91.03901	0.7
93.03357	0.6
95.01250	2.3
95.04928	1.5
97.02843	2.1
97.06481	2.0
99.00761	1.6
101.02328	16.4
106.04134	0.6
107.04903	1.1
109.06507	2.9
111.00786	0.8
111.04421	0.6
111.08049	2.5
113.02332	9.0
115.03882	0.8
119.03392	2.3
119.04971	0.6
125.02341	2.3
129.01810	0.6
133.04976	1.8
133.06494	0.9
135.08063	3.3
135.09041	0.5
137.09605	2.4
137.40245	0.5
139.07552	0.7
139.11247	0.8
143.03371	2.0
145.04980	6.7
161.04483	5.0
161.09584	0.7
163.11195	0.7
169.04985	0.9
177.12689	0.7
179.05498	2.5
181.12228	1.0
187.06140	0.7
193.15996	0.7
195.13826	0.7
195.17477	0.7
203.14377	2.2
205.15932	0.9
207.10181	0.7
207.17461	0.8
209.11807	0.5
211.13367	1.9
213.14856	2.9
219.13802	0.6
221.15352	1.1
225.14961	0.8
226.54906	0.6
231.17491	2.6
233.19098	0.6
235.08215	16.2
236.08574	0.8
237.14951	1.7
237.18558	0.7
239.16460	3.7
241.18094	1.8
245.19125	0.7
247.13438	1.3
249.15083	0.8
251.16524	1.0
261.18658	0.7
263.16644	1.0
263.19827	0.7
265.18210	2.8
267.19675	0.9
271.68375	0.6
275.16440	2.1
277.18054	1.7
308.90619	0.6
313.25418	1.5
315.26910	3.2
317.28369	0.8
325.25320	8.0
326.25558	1.3
333.27817	1.1
341.24835	5.2
342.25040	0.8
343.26428	9.0
344.26645	1.2
351.23431	5.0
359.25873	13.2
360.26337	1.7
361.27438	3.1
369.24353	17.6
370.24658	2.4
377.26947	1.6
387.25412	67.0
388.25784	9.0
405.26447	55.9
406.26868	6.7
479.30115	2.8
595.34851	2.9
596.35730	0.7
605.33350	1.7
623.34357	100.0
624.34790	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	623.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46519	0.5
55.01519	0.5
55.01768	2.0
57.03332	3.0
58.00470	1.6
59.01253	26.0
60.01600	0.6
69.03328	2.8
71.01254	27.9
71.04901	1.2
72.01595	0.8
72.99189	2.8
73.02825	7.0
75.00768	0.7
81.03339	2.0
83.01260	3.9
83.04890	3.5
85.02821	10.6
85.99979	1.7
87.00758	11.4
87.04411	0.8
89.02319	13.9
91.03870	0.5
93.03328	1.0
93.06966	0.6
95.01297	2.8
95.04922	1.8
97.02828	2.4
97.06483	1.5
98.20541	1.8
99.00771	2.0
99.04406	0.8
101.02328	18.9
103.03849	0.6
107.04941	1.0
109.02840	0.5
109.06483	4.0
111.00782	1.1
111.04423	1.0
111.08038	3.4
112.01582	0.6
113.02338	11.9
115.03910	1.2
117.07018	0.5
119.03391	3.0
121.06512	0.7
123.08084	0.7
125.02338	3.4
125.09631	0.5
129.01825	0.9
131.03394	0.9
133.04987	1.2
133.06491	0.8
135.08076	2.8
137.09627	3.9
139.11163	0.8
143.03432	2.3
145.04974	8.1
145.06129	0.7
145.06549	0.4
149.04469	0.5
157.12233	0.8
161.04466	7.2
162.04791	0.4
163.11177	0.5
169.46664	0.5
177.12708	0.8
179.05528	2.8
179.14343	0.7
181.12209	0.8
183.13805	0.5
187.06075	0.7
193.12292	0.6
195.17424	0.5
202.53802	0.5
203.14276	2.6
205.15979	1.1
207.10107	0.6
207.17508	0.7
209.11850	0.6
209.15306	0.7
209.19052	0.5
211.13368	2.1
213.14880	2.5
219.13968	0.8
221.15431	1.0
225.11287	1.0
225.14972	0.6
231.17488	2.6
233.15512	0.5
235.08215	18.5
236.08476	1.1
237.14963	2.6
237.18501	0.7
239.16530	3.5
241.18083	2.4
243.17448	0.6
245.19067	0.5
247.13333	1.5
247.16963	1.5
249.14915	1.4
249.18610	0.5
251.16547	1.6
253.09262	0.7
253.18111	0.6
257.19086	0.7
261.18704	0.8
263.16492	1.5
265.18048	2.8
267.19659	1.2
271.20648	0.8
275.16583	3.7
275.19693	0.7
277.18210	2.3
289.18259	0.9
293.21286	0.8
303.19598	0.6
305.21359	0.6
313.25366	1.6
314.25674	0.6
315.26968	5.3
316.27322	0.7
317.28378	0.8
325.25354	9.0
326.25641	1.2
333.28085	1.2
341.24771	5.7
342.25095	0.9
343.22403	0.6
343.26431	9.8
344.26843	0.9
351.23312	4.5
359.25925	14.7
360.26361	1.3
361.27405	3.1
362.27841	0.6
369.24329	22.8
370.24661	2.9
377.27042	1.7
387.25409	87.4
388.25732	10.2
405.26443	73.2
406.26785	9.9
421.37411	0.5
423.27606	0.5
429.26831	0.6
447.27570	0.8
461.29251	1.0
479.30106	4.9
481.32281	0.6
595.34229	2.1
605.33459	1.5
606.33191	0.5
623.34351	100.0
624.34698	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	623.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.4
57.03342	3.2
58.00471	1.2
59.01256	27.1
65.03847	0.6
69.03317	2.9
69.87509	2.3
69.87920	0.8
71.01258	28.7
71.04915	0.9
72.99194	2.8
73.02823	8.4
78.95789	0.8
79.75769	0.6
81.03347	1.9
83.01272	5.1
83.04925	3.4
84.02045	0.5
84.84142	0.5
85.02821	9.0
85.99974	1.3
87.00755	10.0
87.04393	1.0
89.02326	13.8
89.48302	0.6
91.03916	1.2
93.03381	1.5
95.01257	2.8
95.04893	1.5
97.02836	2.3
97.06471	1.6
97.78364	0.5
98.19885	0.9
99.00774	2.2
101.02329	18.3
102.16956	0.5
103.03905	0.8
106.04123	0.9
107.04936	1.3
109.06475	5.1
111.00801	0.7
111.04411	1.9
111.08083	2.8
113.02340	11.1
115.03925	1.0
119.03414	2.6
121.10104	0.6
123.08065	0.6
124.20936	0.5
125.02321	3.4
129.01952	0.5
129.09163	0.8
132.17305	0.6
133.04984	1.9
133.06499	1.8
135.08070	3.2
135.11734	0.6
137.09601	3.0
143.03392	2.1
145.04953	6.6
153.09232	0.7
161.04506	5.0
163.11130	0.6
165.09186	0.7
177.12885	0.9
179.05574	2.5
181.12274	0.8
185.06781	0.5
187.06029	1.2
193.12289	0.7
197.11705	0.5
203.14407	1.5
205.15948	1.3
207.10185	1.4
207.17499	1.8
211.13521	1.1
213.14877	1.8
219.10149	0.7
221.15479	0.9
223.16922	0.9
223.62944	0.6
225.11182	1.1
231.17523	3.3
233.15576	0.6
233.19156	1.2
235.08200	17.9
235.16934	0.6
236.08470	1.0
237.14919	1.4
237.18524	1.1
239.16510	5.9
241.18083	4.0
245.19115	0.9
247.16931	0.9
249.14883	0.6
249.18561	1.3
251.16589	1.3
253.09369	1.2
253.17999	1.8
259.16919	0.7
263.16644	1.1
265.17972	2.6
267.19675	3.2
271.20715	0.8
275.16553	6.0
275.19846	1.0
277.18039	2.1
289.18121	1.1
293.21185	2.1
313.21735	0.5
313.25272	1.4
315.23428	0.7
315.26898	4.6
317.28394	1.3
323.23801	0.7
325.25351	10.2
326.25803	0.7
331.56958	0.5
333.28094	2.1
341.24875	6.3
342.25137	1.0
343.26407	14.4
344.26782	2.1
351.23163	3.0
359.25916	12.4
361.27612	5.1
362.27512	0.6
369.24347	21.1
370.24783	2.6
377.26950	2.3
387.25421	79.1
388.25760	9.4
405.26456	67.5
406.26782	9.8
407.27744	0.5
429.26657	0.8
443.27966	0.6
444.56638	0.5
461.29199	1.3
479.30316	3.7
529.62640	0.6
533.31482	0.6
595.34955	2.6
605.33496	1.8
623.34399	100.0
624.34741	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	623.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18756	0.6
57.03319	2.8
59.01249	12.8
61.98701	0.8
68.99694	1.0
69.03322	0.8
69.56655	5.7
71.01257	10.5
72.99182	3.1
73.02815	5.1
75.00752	8.4
80.96399	1.1
83.01276	1.3
85.02830	12.8
87.00758	4.2
89.02306	3.7
93.03333	2.6
95.01270	2.8
98.19794	1.2
99.00768	4.7
101.02327	1.2
103.00223	0.7
106.56834	0.7
111.00712	0.7
113.02330	10.5
114.91596	0.7
115.00262	1.0
117.01786	1.0
119.04917	100.0
120.05224	4.5
123.08054	1.2
125.09604	1.3
127.11123	0.8
137.02367	3.4
139.11223	0.7
141.92693	0.7
163.03923	68.4
164.04248	3.6
171.10220	3.1
175.02400	1.6
185.11754	2.2
189.05600	1.1
216.01085	0.7
249.06157	7.9
251.26247	0.8
264.14804	0.7
265.81479	0.6
285.20648	1.0
295.02072	0.7
315.14526	3.4
325.23904	0.8
373.25940	28.5
374.26178	2.9
384.50681	0.7
431.26480	0.8
519.31946	1.0
569.61707	0.7
605.31354	1.7
623.23602	9.8
623.32770	75.7
624.24097	1.7
624.33118	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	623.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.2
57.03339	2.8
57.03553	0.5
58.00463	1.0
59.01257	11.5
65.07781	0.4
67.01740	0.5
68.99686	1.3
69.03313	0.9
71.01256	12.5
72.99177	5.8
73.02808	2.1
75.00748	12.7
80.57483	0.4
80.96402	0.5
81.03348	0.6
83.01254	1.1
85.02827	15.1
87.00759	4.7
87.04362	0.6
89.02303	2.6
93.03368	0.8
95.01252	3.7
97.06454	0.6
98.90061	0.4
99.00755	6.7
101.02306	0.9
103.00211	1.2
109.02868	0.6
111.00801	0.6
111.07983	0.6
113.02332	12.8
115.00246	1.1
117.01836	2.4
119.04910	2.6
121.10102	0.7
123.08012	1.0
125.09613	1.0
127.11158	0.6
129.01869	0.7
139.11203	1.1
139.55367	0.4
141.12788	0.7
153.09201	0.6
153.12662	0.4
155.10707	0.7
157.01225	0.6
157.12291	1.0
163.03908	1.8
169.12233	1.4
171.10199	2.0
175.02399	1.9
175.03763	0.5
185.11758	4.0
198.18326	0.5
215.12825	5.0
231.05191	0.8
249.03540	0.6
249.06136	9.5
250.06508	0.5
325.23611	0.7
337.94516	0.5
343.24884	6.7
355.24945	3.6
371.24313	1.1
373.25937	38.9
374.26355	4.6
410.97055	0.5
457.13571	0.8
605.31567	1.7
623.32831	100.0
624.33154	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	623.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03318	1.9
59.01254	12.9
69.03317	0.4
69.57227	1.2
69.57648	2.1
71.01260	10.3
71.04897	0.6
72.99184	2.1
73.02834	2.1
75.00746	7.2
76.04811	0.5
83.01271	1.4
85.02832	10.0
87.00762	2.5
87.04378	0.4
89.02320	2.3
93.03367	0.5
95.01262	1.5
99.00764	2.1
101.02344	2.9
111.00770	0.9
113.02340	8.9
114.02694	0.5
115.00314	0.8
117.01855	0.5
117.03394	0.5
119.04928	98.7
120.05286	3.9
123.08101	0.5
125.02286	0.8
134.03661	0.8
137.09636	1.2
141.12805	0.5
143.03424	0.5
149.09595	0.9
161.04480	1.0
163.03932	100.0
164.04280	4.6
175.02382	1.2
175.03970	0.6
193.04990	1.3
211.13338	0.8
231.15982	5.1
315.14569	1.8
428.22165	0.5
447.26285	1.8
449.27502	0.6
519.31726	7.8
520.32312	1.3
537.32751	2.1
623.29364	28.7
624.29688	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	623.2751
Annotation	Fenfangjine B
Peak:m/z	Relative Intensity
53.28358	0.5
55.20559	0.4
56.61654	0.5
59.01257	4.0
61.98696	0.9
63.96120	2.1
69.03329	1.1
69.41644	2.3
69.42064	2.6
71.01261	10.3
71.93109	0.6
73.02824	3.5
78.95781	2.0
78.98468	6.7
79.95612	13.3
80.96397	82.5
81.03339	0.9
83.01263	0.8
85.02831	3.8
87.00761	4.0
89.02316	1.7
94.97968	19.4
95.01274	0.7
96.95883	1.3
97.02832	2.1
98.19794	0.9
99.00759	1.0
101.02325	4.4
106.98008	3.7
109.06469	2.0
113.02323	1.7
122.97478	6.6
124.01531	0.8
125.02335	4.7
127.03851	1.0
134.97478	5.2
136.99026	1.2
148.99066	6.7
149.99449	1.2
152.98524	7.9
152.99565	0.6
164.98553	10.7
167.00029	0.8
168.00552	1.5
171.00595	0.9
174.12149	0.6
182.99625	2.9
188.98476	0.8
189.12000	0.6
197.11786	1.0
206.99669	3.0
207.10196	3.5
211.13397	0.6
223.07057	0.6
225.00713	20.7
225.11256	2.9
235.08189	1.1
235.17091	0.8
243.01686	1.7
299.04321	3.3
325.25394	0.9
355.64935	0.6
387.25491	7.2
397.13220	0.7
405.26608	4.5
523.18237	1.1
623.27130	100.0
624.27313	17.2
641.75220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.2
59.01257	9.4
61.98677	2.2
63.96098	1.1
69.03305	1.4
69.36572	0.6
69.37112	1.2
69.37517	5.3
71.00906	1.1
71.01258	14.1
72.99150	1.2
73.02835	3.4
75.00756	1.2
75.08135	0.7
75.76318	0.6
75.76816	0.5
78.95759	3.7
78.98463	6.3
79.95612	11.6
80.96397	71.0
81.03324	1.2
83.01226	1.5
85.02824	6.7
87.00752	3.7
89.02322	5.1
94.97388	0.9
94.97965	16.8
96.95880	1.1
97.02843	4.4
99.00723	1.8
101.02333	8.1
103.34713	0.7
106.97945	2.6
109.06484	6.0
113.02348	4.1
114.93961	0.7
119.03357	1.6
121.02831	1.9
122.97472	6.2
124.01502	1.3
125.02341	6.3
125.09557	1.2
133.71237	0.7
134.97478	5.5
135.08035	1.2
136.99007	1.3
137.41290	0.6
139.46880	0.6
142.02597	0.7
143.03360	1.1
145.04921	0.7
148.99046	6.0
149.99396	1.2
152.98477	5.3
152.99515	1.6
161.04419	0.9
163.11243	4.0
164.97307	0.7
164.98553	10.1
179.05586	0.7
181.12199	1.2
182.99544	2.9
189.09137	0.7
197.11774	0.8
206.99561	2.9
207.08389	0.9
207.10207	14.7
209.11705	1.3
211.13275	0.9
215.14079	0.6
221.06702	0.6
224.98735	1.0
225.00725	16.5
225.09288	0.8
225.11292	12.9
226.11327	0.9
233.15372	1.3
234.15675	0.8
235.08093	2.6
241.00816	0.7
243.01735	1.3
243.12396	0.9
253.09140	0.8
299.04266	2.2
307.23096	0.7
325.25150	1.2
359.26001	0.8
369.24454	1.3
386.23935	1.1
387.25388	9.4
397.13321	4.0
405.26440	6.2
415.14432	2.9
622.32733	0.9
623.26813	100.0
624.27307	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	623.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.2
59.01255	12.5
60.59909	0.8
61.98697	1.7
69.03316	1.2
71.01258	12.3
71.04855	0.9
71.57795	0.9
72.99194	1.3
73.02807	2.7
75.00760	1.6
78.91767	5.2
78.95782	43.8
78.98454	4.3
79.95618	8.3
80.02528	1.0
80.96397	46.7
81.03316	2.1
83.01260	2.0
83.04907	1.7
85.02824	2.8
87.00746	3.2
89.02320	5.4
93.53917	0.8
94.97959	11.5
95.04901	1.3
96.96837	7.4
97.02824	4.6
97.06454	1.9
99.00755	1.7
101.02313	6.7
106.97957	2.3
109.06496	11.7
110.03622	1.2
111.08026	2.0
113.02314	4.1
121.10116	1.0
122.97452	4.3
125.02332	3.1
125.09615	1.4
127.03951	1.1
134.97467	3.4
135.08099	1.4
136.05231	1.1
136.99005	1.4
148.99033	4.9
151.11198	3.2
152.99524	50.0
161.04471	1.1
161.09641	1.3
163.11198	6.1
164.98535	9.1
165.12767	2.4
171.00548	1.3
171.10194	1.1
179.10693	1.3
181.12274	6.5
182.99553	1.6
191.10735	1.6
197.11673	1.4
197.29175	0.9
206.99580	1.8
207.10217	22.7
209.11794	17.4
210.11954	1.1
211.13374	3.2
223.00191	4.5
225.00737	9.8
225.11298	17.9
235.08084	1.0
241.01181	16.4
245.19250	1.5
289.18079	3.1
293.21146	1.2
299.04501	1.6
299.14771	1.2
307.19226	4.9
315.04886	9.1
387.25378	3.4
397.13486	7.7
405.26367	1.3
415.14749	6.2
605.24023	1.0
623.26178	100.0
624.26160	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53143	0.9
57.03320	0.8
59.00981	1.3
59.01252	12.2
61.98700	2.3
69.03344	0.9
69.76213	6.1
71.01257	8.2
71.04877	3.7
72.99184	2.5
73.02806	1.1
75.00771	4.2
75.46277	0.8
78.95783	50.3
80.02564	1.0
80.96387	4.4
81.03333	1.6
83.01212	0.9
83.04895	1.8
85.02827	4.8
87.00724	2.0
88.49506	0.9
89.02310	2.9
94.97998	0.9
95.04909	1.4
96.96861	7.0
97.02824	1.3
98.03612	1.7
99.00775	1.6
101.02299	3.0
106.04079	1.1
107.04884	1.0
109.06483	12.8
111.04433	6.0
111.08054	1.7
113.02318	3.0
121.06450	1.0
123.04419	1.0
123.08037	2.4
127.07536	3.0
134.03598	1.6
135.08063	1.4
137.02377	1.7
137.05975	1.5
143.10722	1.3
145.02811	1.0
145.06464	1.3
149.09575	1.5
151.00230	2.0
152.99504	36.5
160.01567	1.5
165.03941	1.1
167.10629	3.0
179.10707	1.5
181.12224	1.2
181.58955	1.0
193.04912	1.0
195.13788	2.7
207.10229	4.8
223.00081	4.3
225.11218	3.3
235.13394	2.1
241.01181	22.2
245.19107	5.0
251.16470	0.9
255.03021	1.5
259.02051	1.1
271.02502	2.6
285.03900	2.4
287.16458	2.1
289.18124	63.2
290.18445	6.6
300.02792	6.2
301.02869	1.2
307.19037	8.3
315.05048	9.7
316.05350	1.1
333.05737	1.8
355.09036	1.1
356.15979	0.9
397.13535	1.4
415.14343	1.4
544.53839	0.9
623.24512	100.0
623.32422	4.4
624.24786	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	623.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96569	0.8
57.03325	3.5
59.01267	5.8
61.98721	1.2
65.20805	0.8
69.03316	1.4
70.34871	1.2
70.35213	3.8
71.01260	4.8
78.95784	79.6
80.96398	1.0
81.03333	1.5
83.01266	3.6
83.04902	2.6
83.60700	0.9
85.02821	1.1
87.00757	0.9
89.02322	2.5
94.97965	1.1
95.04930	1.7
96.96852	14.4
97.02819	2.3
97.06472	4.8
99.00762	1.2
101.02335	2.1
109.02852	1.0
109.06469	3.0
113.02348	1.0
119.04879	1.0
121.06564	1.2
123.04427	3.3
123.08054	1.8
125.02364	1.3
125.09637	6.8
135.08102	1.6
137.09618	3.2
149.06071	1.0
150.97899	1.2
151.11191	1.4
152.99504	84.8
153.99756	1.3
161.09540	1.1
163.11183	5.4
165.09238	1.3
165.12820	2.2
179.10645	1.0
181.12244	3.2
185.11807	5.0
190.97432	0.9
191.10648	1.6
191.14374	3.6
207.10234	7.6
209.11752	15.8
210.12216	1.4
211.13365	1.4
223.00107	8.4
225.11226	5.9
241.01184	30.8
242.01604	1.0
245.19081	8.1
259.02118	2.3
289.18130	18.1
290.18704	1.3
307.19138	13.5
315.04871	14.5
333.05978	1.8
373.46091	1.0
387.25305	2.8
397.13507	1.4
405.26364	2.4
585.97351	1.0
623.24774	100.0
623.32361	3.8
624.25134	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	623.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71966	0.5
52.01834	0.6
57.03324	1.6
59.01254	19.4
67.90282	0.5
69.03349	1.0
71.01253	8.6
72.99173	1.9
73.02818	2.5
75.00753	6.6
81.28887	0.5
83.01263	1.2
85.02827	8.0
87.00759	2.5
89.02325	1.9
93.03329	0.8
97.02840	0.8
98.19774	1.4
99.00762	2.9
101.02321	3.1
113.02337	6.6
115.00272	1.1
117.03381	0.7
119.04919	86.4
120.05261	4.0
123.08041	0.7
134.03627	1.8
136.63232	0.6
137.02316	0.6
137.09633	0.9
144.45601	0.6
149.09618	1.1
163.03923	100.0
164.04254	5.5
167.10699	1.5
168.11118	0.7
175.02406	0.7
191.05566	1.9
193.04942	1.6
231.15993	14.7
243.02898	0.9
255.02933	0.7
271.02264	1.3
285.04001	1.5
300.02490	0.7
305.15961	1.2
306.07660	1.0
307.69739	0.6
313.03656	0.8
314.04312	2.2
315.14435	1.7
329.06708	4.8
357.54807	0.7
373.02188	0.6
383.41409	0.6
447.26270	1.0
519.31708	6.4
520.32190	0.7
537.32629	0.9
623.16003	1.4
623.29242	23.4
624.29956	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	623.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.4
59.01256	31.8
70.34754	10.0
71.01263	22.2
72.99181	5.8
73.02838	5.0
75.00753	13.7
76.01068	2.3
80.96385	3.3
83.01270	3.2
85.02827	17.4
85.61234	2.3
87.00760	3.3
89.02331	9.6
91.01786	10.8
93.03331	7.2
95.01278	3.3
99.00766	7.1
99.85414	2.3
101.02332	9.2
108.02023	14.3
109.02811	4.6
113.02341	17.9
117.04797	2.7
121.02817	3.2
123.00777	2.6
125.02356	2.5
135.00793	15.5
137.02368	13.9
139.00339	3.0
151.00320	3.2
152.01064	16.6
160.01593	3.6
161.02338	3.0
161.04485	2.5
175.02376	5.0
199.61557	2.6
223.13394	7.9
224.13689	4.1
225.11276	3.0
227.03496	14.3
243.06618	100.0
244.06863	6.4
255.02957	19.8
256.03433	3.8
271.02631	3.3
283.02432	4.2
284.03235	21.6
285.03961	14.4
297.00305	3.4
299.05627	4.6
304.32986	3.1
310.72467	2.4
311.02206	4.1
312.02783	4.0
323.07843	5.5
343.04700	10.2
358.06866	12.5
359.07553	8.1
373.25882	4.3
387.11047	4.5
397.13376	5.4
398.13571	3.1
447.13049	5.8
457.35422	3.0
475.40707	3.2
497.54694	2.9
508.36835	2.7
543.55157	2.6
563.14056	5.2
598.83917	2.5
622.31512	3.2
623.15436	21.8
623.33307	23.7
624.15442	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	623.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.4
57.03325	0.7
59.01259	4.3
59.85923	0.3
60.80937	0.3
65.78954	0.3
71.01258	3.6
72.99197	0.9
73.02821	1.6
75.00751	2.6
80.96404	0.4
83.01286	0.6
85.02827	3.0
87.00765	0.7
89.02345	1.5
93.03355	1.1
95.01282	0.8
95.77048	0.3
98.36669	0.3
99.00780	1.1
101.02327	0.4
103.37769	0.3
113.02347	3.3
117.01856	0.3
119.04926	100.0
120.05250	3.1
125.09669	0.3
160.01498	0.3
163.03934	64.4
164.04268	2.9
171.10179	0.6
173.04565	0.4
175.02451	0.5
185.11784	0.4
224.02332	0.3
229.72563	0.5
249.06163	1.3
255.83839	0.3
315.14557	3.2
341.26279	0.3
355.25079	0.5
373.26019	7.1
374.26379	0.5
431.26367	0.5
433.33398	0.4
459.18536	0.5
519.31836	0.5
623.23456	7.9
623.32990	16.3
624.25360	1.4
624.32361	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53283	0.7
59.01249	4.8
59.68740	0.7
63.02305	0.8
63.61583	0.6
64.99922	0.7
65.00243	1.5
67.17587	0.7
71.01263	5.2
71.57931	0.8
72.99194	0.8
75.00787	1.1
77.08949	0.7
83.01292	1.7
85.02817	3.7
87.00767	1.2
89.02352	1.8
95.01321	1.6
99.34476	0.8
101.02385	2.0
105.69047	0.7
107.01340	1.9
109.02868	0.8
113.02341	5.8
116.54035	0.7
121.02913	0.9
125.02448	0.7
132.02081	1.2
133.02856	15.5
133.03780	0.8
135.04446	5.4
135.30699	0.7
137.02399	1.9
145.02913	1.9
147.04520	1.5
151.00299	8.6
151.03944	1.1
152.01166	0.9
153.01860	0.8
155.05019	1.2
159.04407	1.1
161.02361	43.0
162.02776	1.4
163.00255	0.8
163.03967	2.3
165.01895	0.9
169.01497	1.3
169.02892	0.9
171.04463	2.5
174.03209	0.8
175.03941	5.4
175.07472	0.8
176.04710	1.7
177.05508	1.0
178.99817	2.8
179.03447	2.0
180.04245	1.9
183.04532	2.2
185.02428	0.8
187.03922	1.7
188.04755	1.2
189.05527	2.0
190.06308	5.5
191.07068	4.3
193.05096	2.0
194.05835	1.9
197.57399	0.8
199.03957	9.4
201.01979	2.9
203.03513	1.1
205.08632	4.4
206.51767	0.8
207.06619	2.1
208.07423	2.4
215.03474	5.8
225.11295	2.2
226.02695	1.2
227.03442	10.1
242.02138	8.4
243.02963	46.8
244.03392	3.4
255.02972	16.4
255.05486	1.3
256.03549	1.7
257.04501	8.2
270.01666	10.1
271.02484	51.0
272.02850	5.4
283.02515	0.8
285.04068	16.1
286.04584	4.6
287.05646	1.4
294.95004	0.7
299.01978	74.8
300.02649	18.8
301.03403	5.1
313.03500	3.0
314.04324	100.0
315.05008	30.8
316.05466	1.9
327.03677	0.8
339.05185	1.2
389.10995	1.6
389.16064	29.9
390.16238	1.8
433.07834	2.4
459.09341	2.2
461.16653	4.4
518.48547	0.7
623.16058	82.2
624.16486	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	621.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53921	0.1
55.01752	0.4
57.03328	1.1
58.00464	0.5
59.01255	9.9
61.98697	0.3
65.03837	2.7
68.99702	0.2
71.01260	10.0
71.57671	0.2
72.99178	1.1
73.02821	2.0
75.00747	0.6
78.95788	0.4
80.02536	0.2
81.03337	0.2
82.20259	0.1
83.01256	1.6
83.04911	0.5
85.02831	3.5
85.99978	0.3
87.00761	3.1
89.02323	3.9
91.03921	0.3
91.05416	1.0
95.01277	1.0
95.04901	0.3
97.02841	0.7
97.06476	2.0
99.00760	0.8
99.04362	0.2
101.02325	7.4
103.03887	0.2
103.05437	0.8
105.06983	1.0
106.04198	0.2
111.00777	0.3
111.08075	0.3
113.02337	3.3
117.06952	0.3
119.03401	0.7
123.08076	1.3
124.01595	0.2
125.02338	0.6
125.09626	10.7
126.09954	0.4
129.01804	0.2
130.04131	0.5
131.04929	0.4
133.04967	0.4
135.08128	0.2
137.02274	0.1
137.09653	0.3
141.01802	0.2
143.03362	0.3
145.04970	1.1
152.99428	0.2
156.21471	0.1
159.08012	0.4
159.11732	0.3
161.04474	1.5
169.08678	0.2
171.10167	0.3
179.05580	0.3
187.09691	1.1
187.11218	0.3
187.14867	0.2
189.16406	1.2
192.13805	0.2
197.13258	0.8
201.12840	1.8
213.12857	0.2
215.14375	12.9
216.14694	0.8
217.15904	0.2
223.13371	0.2
229.16017	0.3
233.15446	42.0
234.15785	3.0
235.08244	1.6
235.17136	0.2
236.08525	0.2
243.17639	0.2
245.15672	0.2
247.17046	1.2
253.09363	0.4
257.15540	0.2
271.17108	0.4
274.94791	0.2
283.16830	0.3
287.16611	0.3
323.23828	0.5
341.17941	0.2
341.24863	2.0
342.25217	0.2
349.21738	0.2
367.22787	2.4
368.23367	0.3
385.23859	21.0
386.24240	2.6
399.25583	0.4
403.24918	10.2
404.25195	1.2
405.17615	0.8
405.26273	0.3
427.24759	0.3
441.26285	0.5
457.26266	0.2
459.27472	0.6
461.29230	0.3
477.28592	0.3
501.28305	0.2
513.27972	0.2
531.29498	0.4
567.98529	0.2
621.32837	100.0
622.33185	17.8
622.43842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.8
58.00479	1.0
59.01254	21.3
68.36306	0.8
68.99689	1.7
69.35658	2.9
69.36087	6.0
71.00884	0.5
71.01254	17.1
72.99183	6.2
73.02818	4.1
75.00747	18.1
76.06463	0.9
83.01273	0.9
85.02828	17.9
87.00760	4.9
89.02329	6.6
89.13869	0.8
93.03341	1.5
95.01271	3.5
96.95885	4.0
97.02797	1.0
97.06480	2.5
98.95489	1.2
99.00786	9.0
101.02312	3.5
103.00250	2.2
113.02342	17.1
115.00266	2.1
117.01806	1.9
119.03386	2.0
125.09632	1.5
129.01834	1.0
134.03627	2.5
139.11134	1.0
155.24545	0.9
157.01318	0.9
157.12131	1.0
158.48708	0.8
160.01601	2.2
175.02542	2.0
175.03922	3.4
185.11769	11.7
193.05051	1.4
199.97461	1.1
201.11295	3.2
205.04996	1.1
214.12022	1.7
241.14514	0.9
243.15997	3.2
249.06105	10.4
250.06520	1.0
311.22174	1.2
316.18597	0.9
327.14313	0.9
341.23337	6.4
353.23352	2.4
371.24359	37.7
372.24744	3.4
445.24530	2.4
561.28949	1.4
561.81970	0.9
603.30054	2.1
621.31329	100.0
622.31653	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	621.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.4
57.03328	3.9
58.00473	3.3
59.01253	100.0
69.03333	1.9
70.41015	0.6
71.01257	63.6
71.38034	1.6
72.01617	1.2
72.99203	4.3
73.02824	17.4
75.00759	2.7
79.59560	0.7
83.01253	8.1
83.02422	0.8
85.02826	28.2
87.00737	5.4
87.04401	2.6
88.71875	0.7
89.02321	28.7
93.88782	0.7
95.01268	5.9
97.02853	1.4
99.00753	8.2
101.02325	40.1
102.02662	0.7
111.00791	3.4
112.98682	1.1
113.02335	30.9
114.02661	1.1
115.00294	0.8
119.03388	12.0
125.02338	4.5
129.01823	3.7
131.03461	1.7
136.01558	10.2
137.02373	0.8
142.99730	0.9
143.03403	6.0
149.04346	1.0
151.00310	1.5
151.03918	12.2
159.02896	1.7
161.04468	13.0
161.05841	0.9
166.02682	2.4
174.01686	2.6
175.02505	1.4
175.03989	1.0
176.04590	0.8
179.05521	3.8
181.05040	2.4
191.89038	0.8
211.13347	5.3
253.05011	1.6
253.09393	1.2
267.07111	0.8
293.68781	0.9
300.02951	1.2
301.03555	1.0
310.73959	0.8
317.66727	0.9
339.12396	1.2
342.11258	1.2
357.13437	10.6
358.13934	1.7
383.22144	0.7
399.23883	16.1
399.28818	1.2
400.24292	2.0
402.27875	0.8
417.16162	3.9
417.25000	13.8
418.25433	1.8
487.24915	1.0
517.30487	3.1
525.26831	1.2
561.29150	87.2
562.29602	13.8
579.30212	83.5
580.30511	10.8
621.22168	3.7
621.31573	9.3
622.32520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.8
57.03313	3.9
58.00453	1.3
59.01256	100.0
60.01557	1.5
69.74091	1.3
69.79453	3.2
69.79882	6.0
71.01262	51.1
72.01604	2.0
72.99181	5.7
73.02824	8.8
75.00754	5.9
82.68914	1.4
83.01247	5.0
85.02830	22.9
87.00771	6.5
89.02329	35.8
95.01283	6.6
96.95910	2.3
97.02846	1.8
98.19831	1.7
99.00765	6.0
101.02336	22.3
109.02892	2.2
111.00793	2.2
112.98763	1.6
113.02341	32.7
113.03150	1.7
113.40813	1.5
119.03409	12.9
119.04885	1.9
125.02329	5.1
131.03395	1.8
134.03690	2.1
136.01553	2.6
138.08009	1.4
140.49892	1.5
142.99730	3.2
143.03395	5.6
149.04497	1.7
151.03908	4.6
159.03008	1.6
161.02365	1.7
161.04475	8.3
163.03859	1.5
173.04581	1.5
174.01675	7.8
175.02415	2.8
175.03871	3.3
177.45404	1.4
179.05524	5.8
211.13342	16.2
223.13348	2.7
249.06189	2.2
253.09288	2.6
267.07028	2.9
300.02563	3.3
301.03497	2.0
301.70502	1.4
346.63318	1.6
355.21310	1.4
357.13358	3.2
357.88748	1.4
371.24249	3.6
443.04959	1.5
447.22269	2.3
462.99875	1.4
517.26532	56.9
518.27319	8.4
535.27539	33.0
536.28064	4.9
561.29248	4.3
577.28485	5.0
579.29999	4.3
621.31830	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	621.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13835	0.4
52.72995	0.3
55.01765	1.0
57.03310	2.0
58.00463	1.5
59.01252	34.6
60.01600	0.6
61.98700	0.5
69.03316	4.1
70.68929	0.4
71.01255	26.2
71.04890	1.0
71.58656	0.5
72.01588	0.5
72.99183	3.0
73.02822	3.9
75.00739	2.6
81.03333	0.9
83.01276	2.8
83.04906	1.1
85.02827	7.6
85.06464	0.8
87.00757	6.0
88.98652	0.4
89.02319	25.3
91.03886	0.5
93.03326	0.6
95.01279	2.2
95.04909	1.0
96.95883	1.1
97.02822	3.2
99.00748	2.4
101.02324	21.7
102.02711	0.6
103.00287	0.7
109.02827	0.6
109.06492	0.9
111.04443	0.9
111.08042	0.4
113.02332	10.2
113.03067	0.7
115.03893	0.4
119.03386	7.5
119.04910	0.8
121.02871	1.0
125.02343	7.4
125.09631	0.7
129.01889	0.5
131.03358	0.7
133.05019	0.9
134.03473	0.5
134.49481	0.4
137.02312	0.4
139.03951	0.7
141.01816	0.5
143.03418	3.4
149.04440	1.2
149.09605	0.9
161.04472	4.7
161.13258	0.5
163.03894	0.5
165.01811	0.4
167.03340	0.5
167.10703	3.8
175.02411	0.5
177.12741	0.9
179.05531	5.2
179.10701	1.4
179.14331	4.2
185.04398	0.8
195.13818	11.1
196.14200	0.5
199.13324	0.5
205.12276	11.2
206.12665	0.7
217.07146	0.7
221.06598	1.1
223.13351	100.0
224.13707	6.1
235.08188	6.5
253.09241	1.5
263.07724	1.3
277.09308	0.7
287.07800	1.4
297.17691	0.4
305.08795	1.6
323.09921	1.2
339.11920	0.7
371.24405	0.6
373.25742	0.7
379.12427	0.8
397.13489	53.3
398.13895	3.8
415.14563	27.6
416.14819	2.5
431.43338	0.4
445.24423	1.3
517.30212	0.5
545.23535	0.5
577.32208	4.2
621.28156	7.6
622.29315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.6
57.03330	4.1
58.00473	2.6
58.59711	0.8
59.01254	52.6
61.98698	1.2
67.72536	0.9
68.99697	1.1
69.03344	6.6
71.01255	34.4
71.04900	1.4
71.57993	1.3
72.99182	4.9
73.02833	6.6
75.00760	6.9
81.03334	1.9
83.01287	3.9
85.02829	13.7
87.00748	8.1
89.02316	31.0
95.01272	3.4
96.95898	6.3
97.02798	4.4
97.06454	1.5
99.00769	5.5
99.04366	0.9
101.02326	24.3
109.06499	1.2
113.02337	16.1
119.03396	8.3
125.02367	8.5
125.09653	1.0
128.03450	1.0
128.54155	0.8
131.03438	0.8
133.05009	1.1
139.03912	1.1
143.03442	5.1
143.04495	1.4
161.04436	5.1
167.03464	1.6
167.10735	3.7
174.01712	1.0
175.02444	1.2
177.12791	1.3
179.05560	6.0
179.10751	2.0
179.14378	3.9
185.11803	2.2
187.60835	0.9
195.13855	15.8
205.12280	10.6
221.06726	2.0
223.13359	100.0
224.13678	5.7
225.84619	0.9
235.08167	6.5
249.06256	2.4
253.09229	1.4
267.07443	1.3
283.02930	1.2
287.07742	1.4
305.08826	1.6
323.09995	1.1
327.05215	1.0
341.23395	2.0
357.09958	1.8
371.24371	9.7
397.13513	57.1
398.14011	5.0
415.14578	30.2
416.15009	2.3
445.12741	1.7
561.29535	1.4
577.32745	2.5
579.30200	1.3
621.31500	32.5
622.31763	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	621.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01724	1.8
57.03325	3.7
58.00463	1.7
59.01252	31.6
69.91825	6.3
71.01255	24.4
72.99185	9.3
73.02821	3.5
74.02347	1.4
74.60014	1.4
75.00750	5.8
83.01270	3.9
83.04897	1.1
85.02827	8.1
87.00763	6.6
88.98667	1.9
89.02316	14.6
93.03329	2.0
95.01239	1.9
96.67535	1.0
96.95872	5.4
97.02833	1.4
99.00752	9.9
101.02321	8.8
109.02876	1.3
109.06438	1.1
111.00797	2.2
112.98705	14.5
113.02342	11.9
114.02744	1.1
115.00258	8.8
116.92741	1.2
119.03397	4.9
119.04858	1.1
124.98679	1.6
125.02332	1.6
129.01796	3.1
131.63419	1.2
133.02826	3.8
134.03638	1.4
135.02859	4.3
135.04410	4.9
136.01585	1.8
142.99777	16.4
145.01347	1.5
147.04407	1.4
149.02335	1.2
151.03970	3.3
152.01106	1.2
153.01842	1.4
156.00548	2.4
161.02362	11.4
161.04480	2.5
163.03909	1.6
173.00833	8.2
174.01620	44.9
174.03142	2.4
175.02419	16.7
175.03871	1.7
176.02853	1.3
179.03404	4.5
179.05493	3.6
179.14331	1.5
183.13846	6.1
193.12384	1.1
201.11218	3.2
201.42505	1.0
205.05067	1.9
205.12367	1.8
211.13341	100.0
212.13692	6.0
214.85452	1.0
219.13786	1.3
223.13348	8.5
231.10350	1.5
233.11789	1.6
235.06108	1.2
235.13272	1.7
237.11247	1.5
237.14928	2.7
249.06244	1.4
251.12785	2.5
253.09277	18.7
253.14651	1.2
263.12927	6.9
267.07239	2.3
285.03998	3.1
300.02655	1.8
301.03461	1.3
339.12411	2.1
343.11481	1.5
357.13672	2.3
371.24261	1.6
397.13699	1.4
428.71231	1.2
447.22351	12.5
485.13995	1.5
485.20389	2.8
503.21350	9.4
504.21774	1.3
505.09619	1.9
517.30066	2.3
528.29285	1.2
531.21069	1.4
543.20807	5.8
561.21527	4.3
561.29523	3.3
585.22247	1.4
603.23273	3.5
621.21863	2.4
621.32263	11.4
622.39020	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.8
57.03296	2.8
59.01253	54.6
69.57658	3.3
69.58062	12.7
71.01257	37.1
72.99174	11.6
73.02830	8.1
75.00751	17.4
83.01247	7.7
85.02830	22.7
87.00761	11.2
89.02334	14.2
89.75152	1.9
95.01264	4.0
95.04974	2.4
96.95876	4.8
98.19703	2.0
99.00751	15.7
101.02303	13.6
108.02039	2.4
111.00760	5.6
112.98709	11.8
113.02335	22.0
113.52142	1.9
115.00255	13.5
116.92751	8.4
119.03411	5.0
119.04920	6.5
123.00819	2.1
125.02332	2.5
129.01712	3.0
142.99777	17.2
143.03445	3.0
154.99803	3.8
156.00522	2.4
161.04446	4.3
163.03856	3.4
167.10718	2.1
173.00861	9.7
174.01648	44.2
174.03131	3.7
175.02426	15.7
179.05569	3.2
183.13785	4.5
190.02594	2.3
205.12349	2.2
211.13341	100.0
212.13667	6.8
223.13280	5.4
224.39497	1.9
234.93417	2.7
249.06168	11.7
253.09283	16.4
255.02852	3.8
263.12909	6.1
267.07156	17.3
268.06851	2.1
285.03873	3.3
299.02109	2.2
300.02539	3.0
301.03525	2.6
353.10257	8.1
375.02667	2.1
447.09015	3.0
447.22437	11.8
448.22839	2.8
503.21307	7.7
542.23956	2.5
543.20898	5.9
561.21356	3.0
591.23346	7.1
603.16864	6.2
621.24420	35.0
622.24225	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	621.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53542	0.3
57.03312	0.4
59.01252	100.0
60.01584	0.9
61.43370	0.3
64.89821	0.5
69.35373	0.6
69.35768	3.0
71.01258	3.4
72.99163	0.8
73.02823	0.7
75.00748	1.7
76.11102	0.4
85.02818	2.4
87.00763	0.6
89.02330	1.5
93.03390	0.4
95.01262	0.5
96.95925	0.6
98.19769	0.7
99.00747	0.8
101.02324	1.1
109.72933	0.3
112.98671	0.4
113.02345	2.4
115.00307	0.5
125.02333	0.5
127.11163	0.4
129.01814	0.3
134.03603	0.4
143.03430	0.5
145.02910	1.1
161.04457	0.4
163.03896	0.9
171.10205	1.0
174.01660	1.1
175.00298	0.4
175.02536	0.4
175.04027	0.5
183.13882	0.4
187.03979	0.5
190.02687	0.4
193.05022	0.7
201.11267	6.1
211.13280	1.9
219.07957	0.4
235.07671	1.1
237.09242	0.4
249.06088	0.5
253.05254	0.5
253.08995	1.9
263.07190	2.8
264.07745	0.6
268.10934	0.7
275.07101	0.4
281.08209	8.1
282.08408	0.6
285.59702	0.5
291.06772	2.3
292.07306	1.4
293.08237	2.3
294.08771	1.3
296.10529	1.4
300.02783	0.7
301.03494	0.4
307.09796	0.9
308.10425	2.3
309.07697	28.8
309.10757	1.0
310.08057	2.9
323.09222	5.2
324.10025	17.2
324.13187	0.3
325.10339	1.8
339.12354	72.3
340.08594	0.6
340.12708	9.3
376.78622	0.4
445.24286	1.0
485.30341	0.4
538.24170	0.4
621.30902	3.7
622.28882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.4
59.01258	18.9
66.95770	0.7
69.03323	1.3
71.01260	14.1
72.99179	3.5
73.02821	4.1
75.00754	2.5
81.03291	1.0
83.01291	1.3
85.02841	6.9
87.00769	3.2
87.04375	0.8
89.02328	6.3
95.01294	2.0
96.95931	1.2
99.00771	1.8
101.02325	7.1
105.01794	1.0
105.19869	0.9
108.02084	1.4
108.91190	0.9
109.02852	3.1
109.41290	0.8
111.00771	1.3
112.98679	2.6
113.02332	6.9
115.00243	1.4
117.63524	0.8
119.03397	1.2
119.04917	1.1
120.42097	0.9
121.02863	1.8
121.17213	0.9
123.00759	2.8
123.04405	1.1
124.01572	1.0
125.02367	2.5
129.01891	1.6
134.03616	1.0
136.01576	7.6
137.02357	12.4
138.02864	0.9
142.99786	2.5
143.03444	1.2
145.02907	1.0
149.02361	2.6
150.99118	1.9
151.00287	21.7
151.01494	1.3
151.03920	11.2
152.01022	2.6
152.04707	2.3
161.02409	1.6
161.04453	2.5
163.06030	1.4
164.04715	1.4
165.01814	1.3
166.02647	62.2
167.03290	4.5
174.01622	7.8
175.00276	1.7
175.02357	2.4
175.03870	1.8
177.01852	3.3
178.02574	1.1
179.05568	1.6
179.07019	1.1
181.05003	83.1
182.05333	2.8
184.03802	1.5
190.02672	3.7
190.06267	1.2
191.03479	2.0
192.04285	1.8
193.04984	1.5
199.09033	0.9
204.81822	1.0
205.05008	4.7
205.06982	2.0
205.08755	1.2
207.06528	1.8
211.13341	14.7
212.13643	1.9
223.06024	2.4
223.13417	2.2
229.76010	1.1
249.06204	1.2
251.51274	1.0
253.09254	2.1
255.02885	0.9
267.07193	1.5
357.13428	6.1
387.10931	15.9
388.11139	1.0
402.13245	8.5
417.15588	100.0
418.15881	12.7
425.00772	1.1
447.22302	2.0
503.21246	1.2
561.21118	1.5
561.28778	5.5
579.30408	2.9
621.21771	5.5
621.31622	2.8
622.22418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98176	1.6
57.03303	5.9
59.01252	50.0
68.79171	1.5
68.99654	3.5
69.30006	1.4
71.01253	49.1
72.99182	9.3
73.02831	7.9
74.11038	1.4
74.91556	1.4
75.00362	2.3
75.00747	30.3
77.99856	1.6
81.03326	2.7
83.01234	3.5
85.02351	2.6
85.02829	37.6
85.86678	1.4
87.00761	17.1
89.02325	16.0
93.03308	2.5
95.01255	10.0
96.95921	2.2
98.19762	3.6
99.00753	20.4
101.02297	5.4
103.00239	2.7
108.02010	3.3
109.02808	5.0
111.00764	3.3
112.98711	2.8
113.02332	49.8
115.00214	4.9
117.01761	4.9
119.04848	2.5
121.02786	3.1
125.02293	2.6
129.01820	4.0
129.72304	1.6
131.03375	2.3
137.02292	6.5
142.99757	3.5
145.02820	1.6
147.04364	3.3
151.00253	9.0
152.00981	1.6
161.04375	3.1
166.02620	26.0
171.78026	1.9
173.02206	1.9
174.01575	7.3
174.03075	6.2
175.02318	6.2
175.03719	1.8
177.01743	2.0
181.04993	32.9
190.02626	3.1
191.03348	2.0
191.06958	1.8
193.04884	1.9
202.02676	2.1
203.03159	1.8
205.04883	3.3
207.04942	2.0
211.13327	12.4
214.02710	2.6
217.04930	3.3
235.07678	3.3
239.07076	3.1
249.06122	41.9
250.06407	3.8
251.07030	7.5
252.07806	2.0
253.09143	3.3
255.02802	2.4
260.33896	1.6
261.05637	2.0
262.06345	2.1
263.07016	5.7
264.07767	3.3
265.04904	3.4
267.07162	100.0
268.07336	5.5
277.05051	2.7
279.06509	8.7
279.10181	4.5
280.07199	3.1
282.08997	8.0
293.04517	3.0
293.08041	2.4
294.05325	5.3
294.08896	6.8
295.05978	4.2
295.09406	2.2
297.11298	2.6
300.02646	3.6
301.03271	2.8
306.05032	2.1
308.06836	5.4
309.07538	7.7
312.02490	2.9
320.06485	2.1
321.07669	2.0
322.08395	3.4
323.05450	6.9
323.09094	11.3
327.05087	4.0
338.07849	6.2
339.08365	3.6
341.10318	10.6
353.10294	45.7
354.10492	5.1
371.11093	4.4
387.10605	5.7
388.11234	1.8
395.10306	1.7
412.11200	2.5
415.13889	2.8
417.10312	2.8
417.15518	42.5
418.15662	3.4
427.13794	2.4
445.14758	2.3
458.62402	2.0
485.13327	10.4
491.21271	2.5
517.29688	3.8
541.16772	2.5
571.14539	3.0
577.24695	7.3
584.15112	1.7
585.15704	2.8
591.17017	35.3
592.17468	5.5
603.17181	65.2
604.17639	9.2
621.17938	62.6
622.18036	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	619.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34782	17.2
57.67882	17.6
59.01247	31.1
61.49136	16.0
61.98689	22.0
70.04340	71.3
70.04742	41.2
72.03219	17.4
93.21317	17.5
113.02275	18.7
119.04939	42.5
152.99455	24.0
171.56995	17.0
184.19347	18.8
209.11757	24.3
291.19620	76.5
309.20605	100.0
335.15909	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	621.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97191	2.5
59.01252	27.9
71.01244	11.2
71.57339	3.0
71.57735	4.7
72.99163	3.5
75.00745	19.6
78.71905	2.5
78.94683	2.5
83.01267	3.2
85.02823	9.9
86.02348	2.9
87.00751	9.2
89.02313	6.1
93.03303	3.6
96.95906	6.0
99.00764	2.8
101.02334	4.7
109.02824	5.2
113.02335	7.5
115.00243	3.4
121.02830	2.7
125.02328	2.3
129.60750	2.5
135.02888	11.4
137.02292	6.4
143.16283	2.4
147.00768	3.1
148.01584	2.8
149.02347	5.6
151.00308	5.9
159.04483	2.5
163.00243	13.4
164.01036	3.7
175.00291	6.9
175.02483	3.7
176.01035	8.6
178.99651	2.9
183.04364	2.6
186.84537	2.3
187.03972	2.9
189.99068	6.0
190.99809	5.9
192.00568	15.2
193.01216	3.0
198.03163	3.1
199.03987	4.8
202.99629	3.7
205.01379	6.3
211.03987	11.8
212.04504	3.7
213.01955	3.2
214.02681	3.7
215.03464	6.0
220.00041	10.1
221.00832	4.5
226.02621	7.4
227.03387	17.9
228.04034	3.4
229.01382	3.5
230.78638	2.4
233.00851	4.9
239.03484	13.6
240.04300	4.9
241.04951	4.5
242.02141	5.4
243.02969	8.2
249.06111	6.1
254.02054	4.4
255.02936	19.5
256.03610	7.1
257.04459	6.1
266.02316	3.6
267.03067	13.7
269.04770	4.5
270.01682	5.9
271.02444	18.4
281.00916	10.6
282.01599	3.9
283.02469	100.0
284.02994	17.8
285.04047	18.4
294.01727	8.3
295.02539	13.7
299.01849	4.3
300.02725	10.9
301.03555	5.8
310.01141	6.0
311.01959	73.6
312.02600	29.9
313.03549	58.3
313.07126	2.1
314.04251	5.4
321.00101	4.6
321.08505	3.0
326.00635	4.2
327.01550	12.1
327.04895	3.2
328.02206	11.1
338.00714	4.0
339.01440	90.7
340.02115	21.6
341.02948	3.1
355.00894	3.7
356.01682	10.8
357.02353	18.4
367.06656	24.2
368.06638	3.2
371.17017	3.5
397.07648	3.7
413.05203	3.4
423.09351	4.3
447.09174	10.0
459.09381	24.4
473.07175	13.6
475.08636	7.8
485.07196	26.2
486.07428	5.6
487.08344	16.2
501.06641	10.0
503.08313	61.4
504.08414	9.0
529.09753	5.5
559.10822	3.5
585.08990	5.4
621.23895	32.7
622.25140	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	619.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54749	0.5
56.69606	0.6
57.03323	1.8
59.01256	17.4
61.35456	0.6
67.01765	1.1
68.99687	1.5
69.03321	1.4
69.52578	0.9
69.52982	4.1
71.01256	15.0
71.04899	0.7
72.99186	14.1
73.02845	2.0
75.00750	15.9
78.95782	0.7
83.01257	1.4
85.02344	1.2
85.02827	16.1
87.00744	4.8
89.02316	4.5
93.03364	0.7
95.01265	3.9
97.02795	0.7
97.06459	0.8
98.19801	1.2
99.00769	7.6
101.02326	1.6
103.00243	1.1
111.00748	1.1
113.02338	16.2
115.00248	1.8
117.01810	2.2
117.13432	0.7
119.03413	0.7
127.04037	0.6
129.01854	1.8
133.29381	0.6
139.11180	0.6
171.10161	5.5
172.10503	0.7
175.02452	1.6
185.11783	1.6
201.49815	0.7
209.11786	0.7
211.13412	1.0
229.14397	2.8
231.05089	1.2
249.06157	10.4
253.09233	1.1
289.25418	4.5
307.26389	6.2
308.26929	1.1
309.20587	2.9
323.22183	0.8
323.25809	1.4
325.27502	14.4
326.27728	1.7
333.24304	3.6
351.25385	8.4
352.25687	1.1
369.26468	35.9
370.26755	2.7
375.37866	0.7
383.22263	2.1
401.23370	1.1
424.46222	0.7
458.53171	0.6
575.26379	1.0
601.32867	2.1
619.33356	100.0
620.33734	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	619.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
61.98721	9.0
64.75534	4.4
69.03333	6.4
69.52714	9.2
69.53117	26.6
71.01259	39.0
71.86077	3.8
72.99194	10.7
73.02823	8.6
75.00750	28.5
78.95775	5.5
83.01262	7.0
83.04897	4.4
85.02846	13.1
87.00764	10.2
89.02338	11.6
95.01283	6.1
97.02888	4.8
98.20522	8.4
99.00730	5.7
101.02336	14.0
109.06444	4.0
113.02341	12.4
121.69990	4.2
125.02416	5.6
147.34781	4.2
149.02390	6.5
171.10205	40.2
172.10512	9.2
181.08653	4.9
185.11787	9.6
209.11858	19.2
210.12193	9.3
223.06046	7.8
227.12639	4.5
229.14317	4.3
326.58066	4.5
339.23593	4.9
383.22482	21.9
401.23239	12.0
515.32294	54.7
516.32916	11.3
533.33179	13.8
619.30707	50.3
619.94769	5.0
620.31403	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	619.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
71.01258	51.5
71.01640	1.5
71.15755	4.6
72.99191	3.5
73.02818	26.6
75.00762	3.1
78.95776	3.6
81.03361	2.2
83.01260	6.6
85.02833	14.0
87.00710	2.6
88.05369	2.0
89.02328	36.3
89.73211	2.0
94.03966	1.8
95.01247	2.6
96.95890	12.6
96.96843	3.5
99.00787	3.6
101.02329	37.2
112.55954	2.0
113.02340	27.0
119.03349	12.1
119.04923	13.3
121.02853	2.2
128.03450	3.2
131.03394	7.1
132.54652	2.1
143.03467	3.5
149.04480	5.0
152.01114	3.0
161.04457	8.7
163.78859	2.5
179.05527	4.8
271.02338	3.2
300.36014	2.2
337.11722	1.9
348.94711	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	619.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57734	3.1
59.01247	20.4
60.99175	16.0
61.98708	4.2
69.02281	3.3
70.87705	8.5
71.01250	7.4
78.95773	4.2
82.74702	3.4
83.01273	3.7
85.02831	3.8
87.00764	8.3
88.00285	8.1
88.98682	100.0
89.02321	72.6
89.02840	6.1
101.02319	5.6
113.02353	4.8
120.26559	3.6
152.99532	3.6
253.09325	3.8
293.21280	7.1
297.03885	7.2
323.22345	20.5
384.03448	3.4
547.82184	3.9
597.90039	3.9
619.22833	5.0
619.31812	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	619.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54546	1.7
55.08752	2.0
59.01253	29.3
61.98700	2.0
71.01263	8.9
74.21642	1.7
78.95799	2.7
85.02820	2.3
87.00777	2.4
88.48553	2.0
89.02322	7.1
99.00769	2.0
101.02349	7.6
103.00405	1.8
108.54783	1.9
113.02349	5.2
119.04939	3.6
121.90582	1.8
125.09608	2.5
136.90446	1.7
149.64186	1.6
161.04495	3.4
163.03909	2.4
165.09309	2.0
165.12747	2.1
174.02116	1.8
181.12274	2.2
197.11839	11.1
209.11800	2.3
213.14948	3.2
216.33733	1.9
221.11949	2.0
230.06589	3.0
253.09314	23.5
291.19730	12.7
305.21466	2.1
323.22278	100.0
324.22400	8.6
383.22150	3.6
401.23175	3.3
502.19589	1.9
619.30780	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	619.2565
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.12637	1.2
57.82649	1.0
69.28314	1.2
69.72221	1.1
78.95787	3.7
152.99518	2.7
177.46762	1.1
239.49788	1.2
255.23358	2.5
327.10559	1.2
330.79391	1.3
359.45654	1.2
401.13840	2.1
415.15787	3.7
416.16422	15.7
417.16864	2.6
429.17340	2.0
430.18079	3.6
444.15851	1.9
445.16519	1.2
459.18307	100.0
460.18625	14.4
473.19836	16.5
474.20566	6.9
475.20285	1.3
485.16153	1.4
503.17236	2.5
518.11761	2.4
518.19604	47.9
519.19781	5.4
532.21118	10.0
533.21985	93.5
534.22327	15.9
587.22845	7.9
619.25647	59.6
619.35944	2.3
620.25830	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	619.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27367	1.8
55.27651	1.6
56.51628	1.9
71.57289	2.8
78.95782	16.4
105.91435	1.9
152.99515	8.7
187.78853	1.6
209.11841	1.8
255.23276	13.1
322.21506	2.1
363.12350	2.2
391.22485	3.9
401.14069	3.0
415.15375	4.2
416.16281	12.7
417.16653	3.1
429.17242	3.1
431.18628	2.3
459.18271	100.0
460.18582	14.4
473.19849	14.8
474.20499	5.3
517.18164	2.9
518.19635	48.4
519.19989	7.8
532.21448	7.5
533.21942	88.7
534.22266	15.9
562.42926	1.8
587.22919	9.6
619.25696	67.2
619.35345	4.1
620.26093	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	619.095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.6
57.76445	1.1
59.01255	21.0
67.25798	1.1
71.01257	15.6
72.99156	2.2
73.02808	3.6
75.00739	4.0
77.75255	1.1
82.24862	1.1
83.01260	2.2
85.02834	6.2
87.00757	3.5
87.41623	1.3
89.02324	7.2
93.03349	1.3
96.95896	1.9
99.00749	2.3
101.02340	4.7
102.05507	2.5
104.89069	1.2
107.01295	1.9
109.02861	1.4
110.84305	1.2
113.02335	8.6
113.03024	1.5
114.61617	1.3
117.03289	1.2
119.04897	3.6
128.03418	5.7
133.02890	1.5
134.03619	1.9
135.00793	1.8
136.03973	1.1
137.02354	2.0
146.04485	1.3
151.00279	2.7
157.06464	1.2
159.04393	2.3
161.02301	1.4
161.04472	2.2
163.00255	4.1
163.03897	1.9
183.04356	1.1
185.06050	1.3
187.03889	2.7
191.05679	1.2
193.05029	1.8
199.04010	1.2
205.04924	1.4
211.03954	2.6
227.03476	23.4
228.03903	2.6
229.05022	10.8
239.03479	1.4
240.04158	1.5
255.02986	50.6
256.03464	5.7
257.04517	6.5
283.02512	2.5
284.03290	52.0
285.04047	100.0
286.04385	7.4
330.54193	1.2
336.06390	1.3
443.22806	1.3
471.09259	2.8
489.26816	2.3
531.11536	17.0
558.62659	1.3
575.20197	3.0
618.31036	8.0
619.31940	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	619.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.9
59.00952	0.9
59.01254	19.0
67.01756	0.9
68.99707	1.5
69.03341	0.7
69.77292	4.2
71.01257	16.2
72.01590	1.0
72.99185	5.7
73.02830	2.0
75.00754	12.0
83.01247	1.5
85.02829	17.9
87.00754	6.0
89.02317	6.2
89.03854	1.8
91.03904	0.8
95.01254	4.6
96.95894	6.6
99.00774	11.3
101.02335	1.9
103.00263	2.4
105.03339	0.8
107.04932	0.6
109.02874	1.2
111.00758	0.9
113.02341	23.4
114.02615	0.8
115.00255	2.0
117.01834	2.4
117.03356	5.2
119.04937	1.3
121.02856	1.1
129.01834	1.5
131.03355	0.9
132.02121	3.5
133.02873	5.3
134.03641	58.4
135.04404	2.8
137.02347	1.7
149.05989	6.3
156.44069	0.8
157.01320	1.4
160.01581	14.4
161.02303	3.5
164.04640	0.8
165.01790	0.7
169.80873	0.6
175.02409	2.7
175.03906	17.6
176.04352	0.8
177.01877	1.5
178.02661	1.7
179.03464	2.3
193.05014	41.2
194.05379	2.4
195.86583	0.6
201.11160	0.6
205.04855	0.7
207.05064	1.3
209.11746	0.7
249.06117	10.5
253.07094	0.6
265.07172	1.0
267.07181	37.9
268.07593	1.5
276.06461	1.3
295.08044	0.9
366.09381	1.4
381.12024	3.7
425.10956	8.5
426.11572	1.1
443.11966	100.0
444.12305	11.8
618.34778	1.8
619.16693	25.8
619.27338	3.0
620.16650	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	617.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20096	0.7
57.03336	1.1
58.00462	2.7
59.01254	55.8
61.98681	0.8
69.03344	1.1
71.01258	41.1
72.01601	0.8
72.99191	5.7
73.02823	2.9
75.00798	0.9
78.70065	0.6
78.95776	1.0
83.01268	2.4
83.04914	1.0
85.02832	6.3
87.00746	9.5
89.02322	49.5
90.02659	0.8
95.01266	2.8
97.02851	1.5
98.20546	2.4
98.60931	0.8
99.04408	1.0
101.01691	1.5
101.02328	19.8
111.08055	0.7
112.58427	0.6
113.02336	18.8
113.98373	0.7
119.03399	20.8
122.72663	0.7
125.02395	1.2
126.39706	0.7
131.03384	1.8
135.47870	0.8
141.01779	1.1
142.26369	0.7
143.03432	5.9
149.04460	1.4
161.04469	6.4
163.11177	0.7
169.12251	0.8
171.10178	11.4
179.05542	18.2
180.05771	0.9
185.11711	1.9
195.13837	6.2
196.14381	1.0
197.11754	0.8
209.11823	7.1
211.13330	2.0
223.13371	5.0
225.14909	3.3
225.33266	0.7
227.12833	1.8
253.09418	1.0
256.13248	1.5
268.23047	0.7
275.20325	4.1
293.21237	100.0
294.21588	11.1
317.21210	3.4
323.09866	4.8
335.22412	0.8
341.10883	40.5
342.11273	2.7
465.44550	0.9
491.75684	0.8
580.23663	1.9
617.31311	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	617.3186
Annotation	Guangomide A
Peak:m/z	Relative Intensity
52.55738	0.7
55.01754	1.1
57.03340	1.1
59.01256	6.0
61.98696	1.5
67.97879	0.8
68.81837	0.8
71.01262	6.9
71.58225	1.1
72.01642	0.8
72.99181	1.9
73.02827	1.4
78.95768	0.9
80.45287	0.8
82.67698	0.8
85.02837	2.6
87.00734	2.0
89.02335	4.7
97.06470	1.1
101.02337	6.7
113.02335	2.9
119.03410	1.1
119.04926	0.9
125.09650	6.3
127.11245	1.0
135.65930	0.8
145.35817	1.0
161.04471	1.6
163.03906	1.3
165.12782	10.2
171.10199	100.0
172.10542	5.0
179.05453	1.0
183.13847	84.5
184.14183	3.4
185.11748	1.5
187.09705	2.2
209.11813	6.6
211.13416	4.6
227.12901	8.7
235.08142	3.9
253.09319	6.3
282.76346	0.9
336.46643	0.9
341.10818	1.5
419.22949	0.9
423.69687	1.0
445.20810	1.8
460.38284	0.9
463.21866	7.6
617.31799	66.9
618.32288	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	617.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.1
57.03329	5.2
58.00467	1.2
59.01254	36.3
60.01579	0.4
61.98687	0.8
67.01762	0.5
68.83310	0.4
68.99697	0.8
69.03331	1.0
69.70447	1.6
69.70866	1.1
71.01257	24.1
72.99191	5.3
73.02814	2.5
75.00750	29.2
78.95763	0.4
83.01263	3.0
83.04897	0.6
84.02053	0.5
85.02826	27.7
86.03201	0.6
87.00755	7.0
89.02323	6.0
95.01279	3.0
96.95903	0.5
97.02843	1.1
98.19866	0.5
99.00761	10.3
99.04393	0.8
100.11358	0.4
101.02332	6.4
103.00243	0.8
108.02018	0.7
109.02850	1.1
111.00732	0.8
112.01558	0.9
113.02338	25.6
114.02637	0.4
115.00263	2.7
117.01810	1.6
119.03417	1.2
120.08247	0.4
123.04432	0.6
124.01514	0.4
125.02347	3.8
128.75026	0.4
129.01826	1.0
131.03381	1.0
135.04375	0.5
137.02379	0.7
143.03362	0.5
145.02863	0.5
151.00252	0.7
157.01335	2.1
160.01576	0.6
165.01904	0.5
169.01335	4.3
171.10193	10.8
173.04478	0.9
175.02463	3.5
175.03842	0.9
177.01843	1.5
179.05530	0.7
189.01842	1.3
193.01793	0.4
193.05035	0.5
201.11226	0.7
201.94142	0.4
209.11777	10.3
211.13486	0.5
217.01471	1.4
219.03053	0.5
227.12834	1.4
253.09320	0.8
271.02448	1.0
289.12918	0.4
300.02670	0.6
323.05499	0.6
341.06689	2.2
342.06995	0.5
399.23874	0.7
402.61847	0.4
465.11960	3.7
466.12305	0.5
500.76019	0.4
513.27057	1.7
557.26123	1.6
575.27020	1.2
599.26697	0.7
617.28162	100.0
618.28320	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	615.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.4
57.03319	5.7
59.01254	19.4
60.01597	0.7
61.98689	2.2
69.03339	1.2
71.01258	26.1
72.99184	5.8
73.02827	3.2
75.00755	27.4
83.01279	2.7
84.02061	0.8
85.02827	32.2
87.00754	7.1
89.02325	9.3
93.03333	0.8
95.01280	3.1
96.95892	1.3
97.02849	1.3
99.00767	9.0
101.02330	7.9
111.00755	1.1
112.01535	1.0
113.02340	24.0
113.41686	0.7
114.02690	0.7
115.00256	2.7
117.01839	1.5
119.03395	1.9
122.06020	2.0
123.04419	1.0
125.02372	1.4
127.21967	0.8
129.01880	1.0
131.03391	0.9
137.02327	0.9
139.03925	0.9
149.04420	1.5
157.01395	1.4
159.36774	0.7
161.04538	1.3
171.10191	4.0
175.02403	3.6
175.03778	0.8
185.11818	1.5
189.09158	0.8
207.10196	1.4
211.13478	0.9
213.10350	2.8
214.94431	0.7
225.11290	2.3
241.13359	1.5
285.12503	8.3
299.02100	0.8
306.07596	0.7
385.06348	0.9
396.41577	0.8
553.24817	1.1
571.24585	8.8
572.25714	1.7
615.30280	100.0
616.30634	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	617.1167
Annotation	Taxillusin
Peak:m/z	Relative Intensity
51.83442	0.4
56.87716	0.5
57.03322	1.8
57.06903	0.6
59.01247	1.4
63.02267	0.7
65.00199	3.3
81.03324	1.1
83.01261	10.2
85.55443	0.4
96.18325	0.4
96.60576	0.5
96.95872	1.0
97.97551	0.4
99.00702	0.6
101.02323	0.9
107.01265	5.9
109.02883	0.6
111.00749	0.6
113.99482	2.5
115.00260	1.0
118.75523	0.6
123.87494	0.6
125.02349	9.9
151.00282	38.5
152.00627	1.2
156.00528	1.8
168.00571	0.5
168.42381	0.5
169.01343	100.0
170.01691	3.1
174.01614	3.7
175.02042	1.7
175.56815	0.5
176.02139	0.6
178.99780	0.5
179.87497	0.4
219.33112	0.5
243.03198	0.5
255.02963	0.9
261.71951	0.5
271.02512	1.6
299.01782	0.6
300.02765	2.6
301.03558	1.7
401.66879	0.5
447.09308	4.0
512.22900	0.8
513.83588	0.6
617.21716	0.7
618.13550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56784	1.2
55.01755	2.5
57.03326	7.1
58.00471	1.6
59.01255	38.5
61.98696	3.3
63.00776	1.2
67.05401	2.9
67.84567	1.4
68.99700	1.6
69.03336	10.7
71.01260	51.6
71.57923	1.9
72.99194	3.3
73.02832	8.4
75.00744	8.3
80.86800	1.3
83.01263	4.5
85.02836	21.2
87.00771	4.5
89.02323	26.7
93.03353	1.5
95.01268	1.8
96.95933	2.3
99.00762	6.0
101.02326	8.0
111.04417	49.0
113.02341	10.1
116.38359	1.4
119.03367	1.9
119.04905	1.8
119.08614	1.5
121.02888	1.6
121.10141	10.7
125.02389	1.4
125.09627	5.9
131.03413	8.8
137.02383	1.5
149.04491	3.2
153.01790	2.4
153.62909	1.3
163.00067	1.3
163.03900	2.5
165.01831	4.3
165.09161	3.7
169.08606	3.7
175.02507	1.9
175.03947	2.1
181.04953	1.7
181.08643	22.0
182.08980	1.5
183.10196	2.1
191.05580	1.7
195.06644	3.8
199.09705	86.6
200.10074	4.2
205.05037	2.2
271.02725	1.9
272.42123	1.5
282.41650	1.3
293.30759	1.3
301.03571	1.9
315.14493	100.0
316.14844	9.2
415.16199	4.8
433.17145	10.3
597.25098	2.3
615.26624	40.4
616.27002	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	615.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.7
57.03330	5.2
58.00473	0.9
59.01254	21.0
59.82993	0.4
61.98694	0.9
65.48665	0.4
67.01754	0.7
67.21134	0.4
68.99695	0.7
69.03339	1.3
71.01260	26.2
71.58105	0.7
72.99185	6.3
73.02827	2.7
75.00749	27.7
78.95750	0.4
80.31949	0.4
80.92921	0.4
83.01259	3.5
85.02827	30.1
87.00748	7.2
88.98666	0.5
89.02323	7.6
91.92788	0.4
93.03333	0.6
95.01281	3.7
96.95892	2.3
97.02858	1.0
99.00764	8.8
101.02318	7.2
103.00258	1.3
104.98741	0.4
106.06519	0.5
107.99738	0.4
108.02104	0.6
109.02844	1.0
109.06482	0.6
111.00773	1.2
111.04420	0.9
112.01582	1.2
113.02337	27.7
113.99430	0.4
115.00277	1.8
117.01855	1.6
119.03426	2.0
119.04932	0.7
121.02859	0.5
122.05973	0.5
125.02343	1.1
125.09605	0.5
129.01849	1.0
131.03368	1.1
134.05994	0.5
137.02336	1.4
144.67221	0.5
149.04500	0.5
150.03040	0.5
151.00229	0.8
151.03993	0.6
157.01318	0.8
160.01637	0.6
161.04446	0.8
163.00108	0.5
165.01845	6.6
171.10225	1.0
173.04539	1.4
175.02405	3.5
175.03813	0.8
178.99834	0.9
179.03378	1.1
180.04176	3.6
181.08670	0.7
195.06570	5.0
204.45474	0.4
207.10338	0.6
209.11807	1.2
210.05266	0.7
213.10286	0.7
225.07646	3.6
225.11353	0.6
227.08315	0.9
239.08289	0.5
240.09152	0.5
243.02953	0.7
249.06297	0.5
253.09700	0.7
255.02888	1.3
255.11346	2.0
271.02518	2.8
285.12500	0.6
299.01840	0.7
299.10342	0.9
300.02740	3.7
301.03387	2.1
359.15164	1.1
431.15622	1.0
447.06851	0.5
555.27393	0.5
597.16333	1.3
615.22168	4.4
615.30261	100.0
616.21832	0.6
616.30591	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	615.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	1.1
59.01257	13.5
61.98670	1.3
67.01769	1.0
69.03320	3.9
69.48531	0.8
71.01257	9.4
71.57906	0.8
71.58292	1.3
72.99171	1.0
73.02825	3.7
75.00749	1.9
81.03322	1.1
83.01240	1.6
85.02838	5.3
87.00755	1.1
89.02319	6.7
93.03349	2.6
95.01264	2.6
96.95895	1.1
99.00762	1.8
101.02332	3.4
108.02061	65.8
109.02863	33.3
110.03184	1.9
111.04401	1.4
113.02342	2.4
113.99505	5.8
114.18378	0.9
115.00256	3.2
119.04937	1.3
121.02851	3.9
123.00777	2.7
123.04411	2.0
124.01570	1.1
133.02881	1.1
134.03644	2.9
134.73344	0.9
135.04431	2.7
136.01561	2.5
136.03951	1.3
137.02344	15.5
137.05981	1.0
139.03931	1.3
145.02818	2.8
147.00824	1.1
147.04393	1.0
149.02335	1.8
150.03183	2.6
151.00304	1.4
151.03891	2.4
152.01067	60.0
153.01863	19.8
160.05156	1.3
161.04506	1.2
161.06003	1.0
162.03101	1.3
163.03954	6.6
164.01105	2.5
164.04752	0.9
165.01857	83.8
165.05534	2.0
166.02170	5.0
167.10730	4.3
169.12202	1.8
174.01610	1.1
174.03084	1.2
175.03943	5.2
176.04662	1.0
177.05482	3.1
179.03438	21.0
179.07053	1.7
180.04216	41.8
181.04721	2.7
181.08638	3.7
185.11803	1.9
188.04759	1.5
189.05446	1.4
190.06296	7.0
191.07021	4.6
193.05017	5.2
194.05772	7.9
195.02855	2.4
195.06575	60.3
196.06921	2.5
199.09775	5.7
203.06908	1.2
205.08623	5.2
207.06612	4.8
208.07341	3.6
209.08099	1.7
210.05304	8.5
225.07646	37.7
226.07950	1.8
253.13458	1.5
317.16159	3.1
337.09567	1.0
344.12653	1.1
345.13409	1.8
359.15027	33.0
360.15268	2.7
389.16089	1.3
465.17810	1.0
467.19321	5.5
514.92920	0.9
537.21228	2.1
549.15692	0.9
567.22357	32.7
568.22443	4.4
615.22925	100.0
616.23346	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	615.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67571	1.1
59.01250	20.0
60.74829	1.2
69.03316	1.7
70.64709	1.0
71.01260	10.5
72.99171	2.3
73.02828	7.5
75.00755	1.3
83.01249	6.2
85.02826	2.4
87.00764	3.8
89.02340	3.0
95.01270	1.5
96.95905	1.8
98.19834	3.0
99.00740	7.7
100.01576	2.7
101.02344	9.2
111.00777	11.8
111.75278	1.1
113.02394	2.8
113.99477	42.2
115.00272	17.3
119.04961	1.6
123.00802	2.1
128.01054	3.8
128.96432	1.2
139.00258	6.8
149.02281	1.2
151.00302	3.3
156.00558	45.8
157.01271	3.1
161.04517	1.1
166.99776	6.6
174.01622	100.0
175.02251	6.4
193.75700	1.1
202.83809	1.4
243.94685	1.3
255.02959	2.1
271.02322	2.3
278.88470	1.4
287.16531	3.3
293.27286	1.2
300.02686	6.0
301.03601	6.8
318.59406	1.1
447.09332	6.6
471.22122	2.9
511.21683	9.3
512.22003	1.7
527.92877	1.2
615.22949	1.5
638.54962	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.9
55.04930	1.3
55.52205	1.1
57.03318	4.0
58.00473	1.9
59.01252	27.2
60.76299	1.5
68.99693	2.2
69.03341	2.2
69.77204	4.4
69.77632	4.4
71.01255	41.1
72.99183	6.7
73.02824	3.7
75.00746	18.3
81.03333	2.3
83.01254	3.8
83.04894	4.4
85.02342	2.4
85.02829	31.7
87.00751	48.7
87.57186	1.5
89.02311	17.0
89.02836	1.5
93.03319	1.7
95.01259	6.7
97.02847	1.2
99.00766	13.2
99.04396	1.6
101.02312	3.6
103.00252	3.7
105.97626	1.1
109.54880	1.2
111.00798	4.4
113.02335	35.9
115.00281	3.2
117.01832	3.6
127.07569	2.7
128.03477	1.2
129.01842	4.5
131.03398	1.9
151.36987	1.3
171.10146	3.0
197.08076	4.8
197.09790	1.6
231.05136	2.0
249.06145	100.0
250.06479	5.5
267.07220	86.0
268.07614	3.6
315.14355	1.9
337.07724	28.4
338.08246	2.0
419.15543	2.1
492.08435	1.3
615.21271	21.4
616.21533	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	613.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.6
57.03316	3.9
58.00463	1.9
59.01253	40.4
61.98709	1.3
69.03331	1.6
69.79287	0.9
70.87683	3.3
71.01255	57.4
72.01573	1.4
72.99174	2.8
73.02824	7.0
75.00746	2.0
75.68954	1.0
78.95757	1.5
82.95970	1.4
83.01251	3.5
85.02824	19.7
87.00768	2.3
89.02320	29.4
99.00779	4.9
101.02332	6.1
109.02761	1.2
113.02335	5.1
121.02818	1.0
121.10137	11.7
125.02367	1.2
128.03387	1.7
131.03416	5.6
137.02271	1.0
139.11214	1.8
143.04524	1.7
149.04475	1.9
165.09113	7.8
167.10693	3.2
183.10196	3.8
185.11783	2.6
209.11777	4.6
225.64362	1.0
235.80725	1.1
281.17349	1.2
297.13486	7.2
300.02945	1.3
306.07684	3.2
315.10812	2.4
315.14490	45.3
316.14896	2.6
463.23209	1.4
613.28668	100.0
614.29053	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	613.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20226	0.7
57.03321	0.7
59.01240	2.5
69.37951	6.9
71.98289	0.6
78.22097	0.6
78.95807	1.3
95.04912	7.3
110.01337	0.8
111.08079	0.7
113.09622	2.2
119.86247	0.7
179.14325	0.8
179.92757	0.7
195.13861	15.6
196.14265	0.9
202.12399	0.7
215.08856	0.7
217.12065	0.7
247.09636	0.8
249.11171	1.8
249.22169	1.3
267.48276	0.8
277.21732	15.1
278.11441	5.9
278.22247	1.4
281.13678	1.2
289.57819	0.9
295.22797	100.0
296.23181	8.2
299.20007	1.1
317.20987	43.9
318.21179	4.2
361.20013	5.8
613.24457	1.4
613.44128	17.7
614.19971	1.7
614.35132	0.8
614.44183	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	615.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.5
57.03333	4.3
58.00480	2.4
59.01255	33.0
63.89391	2.1
64.92142	2.2
67.01768	3.2
68.99700	3.9
69.03338	3.1
71.01253	42.4
72.99187	7.2
73.02808	3.7
75.00745	19.3
83.04899	6.3
85.02826	34.4
87.00756	49.2
89.02309	17.7
93.03341	2.3
95.01289	6.5
99.00780	10.3
101.02347	4.4
102.22508	2.4
103.00213	3.6
111.00780	4.4
113.02344	38.8
115.00264	3.0
115.83641	2.0
127.07546	3.4
129.01877	3.3
171.10178	3.0
175.02495	3.3
189.04257	2.4
197.08173	5.0
203.19698	2.1
227.65846	2.7
231.05168	2.9
240.78828	2.2
245.04419	3.0
249.06155	100.0
250.06522	7.5
255.83662	2.7
267.07227	99.0
268.07544	5.2
315.14413	5.6
337.07797	39.8
338.08289	3.2
419.15149	2.5
536.27441	2.4
571.10962	3.9
575.64618	2.5
615.21552	28.4
616.21490	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	613.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85437	0.5
55.01731	0.5
59.01249	6.2
69.03316	0.7
69.45890	3.3
71.01250	8.3
73.02819	1.5
81.03323	1.1
83.01263	0.9
85.02829	5.0
89.02312	3.2
92.68634	0.5
93.03374	1.1
93.78048	0.5
95.01273	1.2
98.19671	0.5
99.00723	0.5
101.02335	1.5
105.68134	0.5
106.68961	0.4
108.02052	54.4
109.02843	47.1
110.03185	1.6
113.02326	1.5
121.02831	0.6
121.10084	0.9
123.00766	1.8
123.04370	0.6
135.00732	0.6
136.40402	0.4
151.03915	1.0
152.01059	54.4
153.01842	31.3
153.03705	0.8
154.02197	0.9
161.04404	0.5
163.03932	0.9
165.01843	0.7
167.10649	0.6
188.28796	0.5
217.57352	0.5
297.06219	0.5
315.07156	2.1
315.14536	0.9
463.16284	1.2
465.17572	3.6
466.17731	0.8
613.21362	100.0
614.21680	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	613.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	4.8
66.63416	1.4
70.86681	3.4
70.87031	2.7
71.01234	6.0
75.00716	5.8
81.03307	2.0
83.01244	3.2
85.02798	4.9
87.00755	3.1
91.69334	1.4
93.03307	4.4
95.01225	3.7
97.02782	2.0
99.00713	2.6
101.02278	4.3
108.01376	2.1
108.02052	30.2
109.02847	52.8
111.00728	3.8
111.04358	1.6
113.02261	2.6
119.04861	5.4
121.02839	2.6
123.00728	3.5
123.04354	2.2
124.01485	2.8
125.02258	6.4
129.01802	2.1
135.00729	3.2
135.04385	2.8
137.02258	5.3
139.03839	4.8
140.61476	1.5
150.03143	1.7
151.00221	2.9
151.03868	7.6
152.01065	42.0
153.01843	82.5
154.02124	2.8
163.03859	4.3
165.01778	4.8
165.05458	2.9
166.02557	1.8
167.03279	6.5
177.01846	2.5
179.03438	13.6
182.02156	2.0
183.02786	1.8
187.81554	1.6
188.62679	1.6
189.05431	3.4
191.03377	4.9
191.05449	6.3
193.05008	2.3
195.02876	7.7
196.03735	3.0
207.02956	2.9
207.04929	6.7
209.04376	1.6
210.18581	1.5
218.02005	2.0
219.02785	1.9
221.04340	6.4
268.17145	1.5
285.07928	7.1
285.10278	2.2
297.06015	20.6
301.06888	1.8
302.07602	2.6
303.06915	2.7
315.07175	16.4
327.08838	11.4
330.07053	4.8
387.10431	3.7
390.97836	1.6
405.11984	9.5
407.09891	16.1
423.12994	2.4
433.07306	6.5
451.08801	100.0
452.09137	12.0
475.11942	5.9
493.13675	34.4
494.13278	5.5
613.14502	58.0
614.15930	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	613.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	19.6
59.62511	0.9
59.71591	0.9
61.98700	1.9
66.87936	0.9
67.01739	1.2
68.39113	0.9
69.48635	2.3
69.49041	6.1
71.01257	26.9
72.99189	4.5
73.02824	2.1
75.00734	2.8
83.01270	7.7
85.02850	5.8
87.00755	43.7
88.98676	5.7
89.02296	3.0
95.01263	1.7
96.95905	1.0
99.00742	3.0
101.02338	3.1
111.00758	14.5
113.02348	7.2
115.00259	79.3
116.00594	2.1
119.04922	2.1
127.00235	2.7
134.03581	2.1
137.68961	1.0
139.00279	23.9
143.48868	1.0
143.87885	0.9
145.02827	1.0
149.02298	1.2
150.09163	1.5
151.03944	2.4
157.01338	33.1
158.01770	1.2
160.01573	1.8
165.01894	1.4
165.05475	1.6
174.01610	1.3
175.02405	100.0
176.02734	4.1
176.04228	1.0
179.03410	1.2
200.10741	1.3
299.02148	1.4
301.02625	1.5
351.21017	1.1
391.20355	1.2
451.18503	1.3
467.18063	6.9
489.20258	3.2
495.17871	14.6
496.17896	1.4
497.19275	1.7
509.19199	3.4
523.20874	1.5
525.28113	1.0
533.19324	14.1
534.19745	2.8
551.20282	26.9
552.20825	4.5
553.18286	7.1
554.18280	1.3
565.18231	1.4
569.21765	1.3
577.18011	2.3
595.19604	1.8
613.20416	1.7
613.28986	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	613.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76937	0.9
59.01244	2.0
64.98238	1.0
69.46098	9.5
71.01246	7.2
71.12195	0.9
73.02817	2.5
73.81789	1.1
75.00726	2.5
81.03294	2.7
83.01242	2.9
85.02823	5.7
87.00687	1.0
88.98669	1.4
89.02273	1.1
93.03312	2.5
95.01245	1.8
96.95833	1.0
97.02821	1.2
101.02290	3.5
101.02905	1.1
108.02055	34.4
109.02837	56.4
110.03158	1.6
111.00726	3.7
111.04342	1.5
113.02294	2.9
119.04858	2.2
121.02771	1.8
123.00719	4.0
123.04362	3.4
124.01502	2.3
125.02298	3.7
135.00729	3.5
135.04375	1.5
137.02261	4.3
138.03043	1.3
139.03868	3.4
142.99568	1.0
147.04427	1.1
149.02267	1.6
150.03026	1.9
151.00221	2.3
151.03960	5.3
152.01062	48.0
153.01843	88.1
154.02118	1.6
163.03882	1.6
165.01796	2.0
165.05420	1.3
167.03366	3.0
177.01736	2.7
177.89252	1.0
179.03433	6.0
181.04935	1.5
183.02753	1.3
189.05394	1.6
189.30890	1.2
191.03355	2.0
191.05399	2.8
193.04951	2.3
193.31488	1.1
195.02902	6.2
207.02835	1.3
207.04851	2.3
209.04448	1.1
219.02948	1.2
221.04478	2.5
225.03873	1.6
281.06567	1.5
285.07660	5.0
297.06061	23.5
298.06253	1.4
315.07236	14.2
316.07623	1.5
327.08734	4.9
330.07242	2.6
387.10474	2.0
405.11670	3.8
407.09790	20.0
408.09784	2.2
423.12808	1.2
433.07544	6.6
451.08807	100.0
452.09137	10.0
475.12372	2.4
493.14194	11.8
494.13541	1.5
613.13922	55.6
614.14191	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	612.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56550	0.4
58.02850	6.2
59.01253	4.0
61.98701	1.6
66.03359	0.8
67.09324	0.5
68.04941	0.6
69.03316	0.5
70.02847	0.7
71.01260	4.1
71.58021	0.8
72.00790	1.3
73.02807	0.5
74.02348	14.9
75.00764	0.9
80.96396	1.0
81.04485	0.6
82.02859	1.8
82.95996	1.2
84.04445	0.5
84.97363	0.5
85.02832	1.5
86.02361	4.6
86.05983	1.3
86.98967	0.9
87.00742	1.2
87.05524	4.1
89.02336	1.9
90.00092	1.1
93.03358	0.6
95.01247	0.5
97.03957	1.3
99.05526	12.4
101.02324	1.3
101.07088	1.9
102.05486	2.0
107.06022	0.6
109.03986	2.3
109.07589	0.8
111.05559	1.1
112.03941	1.5
113.02337	1.5
113.03436	0.4
113.07128	0.7
116.01656	1.2
117.03366	0.7
119.04959	1.1
120.01147	0.7
123.05539	1.3
124.03917	0.8
125.02318	0.5
125.03482	1.6
127.05011	2.2
128.03441	35.5
129.03757	0.6
131.04535	0.7
135.05576	2.7
137.02356	0.9
137.07088	0.9
138.05591	0.6
141.06619	2.0
143.04538	45.2
144.04890	1.1
145.02869	2.2
145.06079	2.2
146.03325	0.8
146.04488	3.5
152.76958	0.5
153.06599	2.9
155.08133	0.8
160.00650	13.5
160.01872	1.0
163.03970	0.8
166.09761	1.8
167.04538	3.0
167.08170	1.6
171.07683	0.8
177.03349	5.1
179.04549	8.6
181.06050	0.9
183.10306	0.6
185.05681	1.3
185.11739	0.6
192.07651	0.7
195.06541	0.6
197.05621	1.5
198.08963	0.7
209.11838	0.9
210.08826	9.0
211.13428	0.7
242.07838	1.1
254.07819	13.9
255.08141	0.6
272.08896	24.4
273.09174	1.1
276.46344	0.5
288.06589	7.5
306.07672	100.0
307.07990	6.2
365.95917	0.5
449.25226	0.6
450.25830	1.8
504.91696	0.5
580.74908	0.5
612.25818	3.3
613.10480	0.9
613.28674	1.7
639.42444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
57.03324	1.2
58.00462	1.3
59.01251	27.5
59.35038	0.6
60.99136	0.6
61.98687	1.5
64.41037	0.5
67.79227	0.5
68.99692	0.8
69.03315	2.0
71.01254	26.9
72.01580	0.7
72.99185	3.8
73.02825	6.0
75.00737	2.1
78.95778	0.7
80.96386	0.7
81.03339	0.7
83.01257	4.6
85.02821	9.8
85.99965	1.1
87.00750	6.0
88.98700	3.1
89.02318	12.5
93.03326	1.8
94.68820	0.5
95.01257	2.6
96.95862	0.6
97.02826	2.3
99.00773	3.5
101.02322	16.0
108.02046	1.7
109.02850	1.0
111.00758	1.8
111.04434	0.8
112.01585	0.9
113.02331	9.6
119.03391	3.1
119.04911	1.6
121.02876	0.8
123.00813	0.7
123.04338	0.6
124.01604	0.8
125.02329	5.9
126.27071	0.5
129.01788	0.6
135.04448	0.7
136.03947	0.5
137.02350	3.1
141.01830	0.6
141.12753	0.7
143.03342	2.0
145.02887	0.6
149.02361	1.3
151.00276	1.2
151.03929	2.5
152.01083	1.6
161.02266	0.9
161.04497	2.2
163.03894	0.9
163.13290	0.6
165.01799	1.1
165.05464	1.3
175.03909	1.2
179.03410	0.5
179.05544	2.1
180.04164	0.8
181.04927	0.6
181.08603	6.3
183.13840	2.8
184.14076	0.7
189.41408	0.5
190.02634	0.7
195.06535	0.9
195.13861	5.0
195.87115	0.6
203.03279	0.7
211.13353	8.0
212.13708	4.6
212.58116	0.6
213.14944	45.2
214.15253	3.3
223.13332	0.7
225.07648	0.8
235.08218	3.8
253.09204	0.9
263.07712	0.7
269.21173	2.8
271.02432	0.9
287.22269	14.9
288.22433	1.1
299.01941	0.7
300.02808	1.3
301.03494	0.8
302.03482	0.8
302.84824	0.6
305.08832	0.5
327.21692	0.6
329.23297	0.6
375.21994	1.3
397.08371	1.1
397.13495	18.0
398.14014	3.5
399.14182	3.3
400.13806	0.7
415.14560	11.4
416.14764	1.7
417.15033	1.3
431.26404	5.3
449.27518	19.0
450.27951	1.8
465.09042	0.9
563.19684	0.6
593.31799	2.5
611.32843	100.0
612.33185	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	611.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90887	0.7
57.03301	1.1
57.59282	0.6
59.01236	2.0
59.27857	0.6
59.36334	0.8
62.96289	0.6
63.52951	0.6
69.27557	7.6
71.01251	1.9
78.95786	66.7
80.91570	3.8
80.96410	1.0
82.95995	0.7
96.96851	12.2
100.61636	0.6
104.60175	0.7
113.09575	1.9
124.29500	0.6
150.98056	0.8
152.99510	51.2
153.99866	0.8
171.00504	0.8
171.10168	3.0
179.14359	1.0
195.13863	13.7
196.14279	0.8
209.11784	3.6
211.13394	1.2
223.00085	2.4
241.01195	31.3
253.09349	1.0
259.02216	1.2
271.26083	0.8
275.06326	1.5
277.21753	13.2
278.22092	0.8
293.21301	1.9
295.22809	43.8
296.23224	4.1
315.04916	6.9
327.21695	1.0
431.22086	8.1
432.22186	1.4
449.23349	1.4
611.28375	100.0
612.28802	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	611.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54709	0.9
59.01258	2.1
69.43381	8.9
73.30782	0.9
78.95780	68.0
88.82582	0.9
96.96845	11.7
103.49153	0.9
109.91589	1.1
113.09605	2.0
152.99501	79.8
153.99770	1.5
155.97809	1.1
171.00543	1.6
179.14285	1.8
195.13837	20.1
196.14183	1.9
223.00085	8.9
241.01157	25.5
259.02222	1.7
277.21747	19.7
293.21146	1.1
295.22800	63.1
296.23074	5.5
315.04819	10.8
333.06055	1.3
548.20966	1.1
611.28375	100.0
612.28735	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	611.2511
Annotation	Karajinone B
Peak:m/z	Relative Intensity
59.01250	11.1
71.58146	2.6
76.65276	1.6
98.22498	1.5
105.78766	1.7
117.52190	1.6
121.05203	2.2
122.06009	14.4
134.06023	6.3
134.47353	1.7
160.06360	7.5
171.10190	5.9
209.11833	12.6
213.10274	35.3
214.10458	1.7
215.11847	15.3
223.08727	2.0
226.11223	4.0
239.11877	21.7
241.13454	17.2
242.13773	1.8
267.11343	2.1
283.10898	3.8
285.12476	100.0
286.12784	9.6
291.19659	2.6
293.13190	2.4
308.56897	1.7
309.20728	3.3
315.74911	1.7
325.11972	7.5
327.21841	3.4
342.83524	1.7
359.31439	2.0
431.03766	1.8
449.16422	5.8
463.17651	8.2
464.18610	6.1
465.19250	4.9
467.24384	2.3
477.19397	2.3
478.20160	4.7
479.20828	11.4
491.24701	5.0
493.22522	23.2
494.23035	6.7
535.23499	58.1
536.23547	10.8
538.22070	17.7
539.22650	3.1
579.22394	18.4
580.22937	4.6
611.25055	10.2
611.35022	1.8
611.38361	2.0
612.25507	3.0
630.62592	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	611.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86697	0.7
54.01054	0.7
59.00983	0.7
59.01242	3.2
61.85278	0.7
62.96267	0.7
69.58949	5.2
78.95776	63.9
96.96845	11.5
97.06506	0.8
102.93336	0.7
113.09624	2.7
150.97966	1.4
152.42734	0.8
152.99493	74.2
153.99773	1.2
157.36356	0.7
171.00513	1.7
179.14246	0.7
191.14359	0.8
195.13849	21.1
196.14351	1.0
209.11755	1.0
223.00081	7.9
241.01181	28.2
242.01622	1.5
259.02203	2.2
277.21747	17.9
278.21915	1.6
283.37778	0.7
295.22797	62.0
296.23093	6.3
315.04956	9.5
333.05969	1.3
449.23590	0.8
611.28320	100.0
612.28619	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	611.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.9
57.03319	5.2
59.01254	29.7
63.16989	1.1
69.03328	1.9
69.25605	6.8
69.26031	7.7
71.01261	24.0
72.99171	8.6
73.02820	7.5
75.00749	27.4
83.01263	4.3
85.02827	28.8
87.00744	7.6
89.02322	8.5
93.03388	1.6
95.01278	4.0
97.02838	2.9
98.19815	2.4
99.00766	9.1
101.02335	8.5
101.08263	1.5
103.00274	1.8
113.01546	1.6
113.02339	31.2
115.00260	1.5
117.01862	1.7
129.01880	2.3
131.03406	2.9
137.02315	2.5
152.01082	1.6
157.01311	1.7
161.04504	1.9
173.04443	1.6
173.80733	1.4
175.02411	3.7
187.13356	2.5
193.03493	1.6
193.35361	1.3
209.32443	1.3
331.17584	1.4
349.18707	2.7
449.11011	2.7
567.22986	100.0
568.23401	11.1
611.22589	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	611.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.03333	7.1
59.01254	20.8
60.99175	4.4
61.98702	4.4
69.03326	10.5
71.01257	27.1
72.99184	8.2
73.02792	3.4
73.84673	1.0
75.00750	42.4
78.95716	1.4
83.01255	4.3
85.02825	27.6
87.00764	10.5
88.98680	26.0
89.02325	8.9
93.03320	4.0
95.01282	7.0
96.95883	3.8
97.02834	2.4
99.00767	13.1
101.02324	8.0
102.20754	1.1
103.59337	1.1
108.02069	2.0
109.02803	2.5
111.04415	2.2
111.08034	1.5
112.01564	6.6
113.02337	30.8
114.90105	1.1
115.00226	4.1
117.01797	3.3
119.03382	1.8
119.04913	3.2
121.02831	4.3
123.00746	2.0
123.49885	1.5
125.02335	7.2
129.01770	1.6
137.02359	10.4
139.11182	12.5
145.02829	2.3
151.00266	3.6
151.03880	2.8
152.01031	3.9
153.01779	1.7
153.05490	1.4
157.01363	2.9
160.01569	1.3
161.04453	1.8
163.03986	2.2
165.01900	1.2
175.02373	4.8
175.03844	1.7
177.01880	1.7
178.99756	2.8
179.03398	1.3
181.07086	2.3
181.08635	35.2
182.08875	1.9
183.10190	21.7
184.10454	1.3
203.07030	2.8
208.23814	1.2
209.08211	1.3
211.13335	2.5
243.02930	2.1
255.03017	2.8
271.02545	6.2
285.03946	3.5
287.22211	1.4
299.01917	2.8
300.02725	11.1
301.03461	6.2
302.03577	2.0
383.13339	1.6
397.13428	1.4
404.47757	1.1
427.12454	17.7
445.13458	19.2
446.13440	2.2
449.27625	1.6
459.07358	1.3
465.54721	1.4
489.10214	2.0
493.29730	1.3
511.64279	1.3
567.22626	2.5
593.12866	2.7
611.14697	5.7
611.23431	100.0
611.31982	5.0
612.15289	2.6
612.23987	19.1
612.33258	2.6
616.62933	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2199
Annotation	Phoenicanthusine
Peak:m/z	Relative Intensity
50.86465	2.0
51.10885	1.5
54.82472	1.7
57.03310	5.8
59.00989	2.7
59.01258	36.4
61.96781	1.8
68.99699	3.1
69.03324	2.4
69.38231	7.1
69.38654	10.1
71.00896	2.4
71.01261	30.7
72.99171	8.8
73.02820	4.9
75.00759	13.1
83.01219	2.7
85.02833	21.9
87.00774	9.4
89.02328	11.7
95.01285	2.1
99.00777	11.7
101.02335	13.0
111.00705	3.0
113.02337	26.5
119.03391	4.4
128.03433	2.9
129.01848	4.2
171.07680	2.1
175.02390	4.6
181.08601	9.1
183.10159	3.3
191.01822	3.6
193.03412	2.7
202.98198	2.2
207.13734	3.3
231.05014	2.4
233.04358	1.9
249.06129	23.8
251.12923	10.3
267.07263	18.7
305.08441	1.8
315.14502	2.8
335.52701	2.0
343.09601	1.9
346.04849	1.8
358.20859	1.8
361.15070	10.9
431.19244	5.9
433.17249	4.2
526.25909	2.2
567.22528	12.2
593.20605	7.0
611.21844	100.0
612.22308	15.6
638.52527	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	611.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.0
59.01252	30.1
66.61097	1.2
68.99684	1.4
71.01261	22.0
71.57722	1.6
71.58138	1.5
72.99178	4.7
73.02811	3.2
75.00748	22.4
76.36268	1.4
83.01257	3.8
85.02824	26.7
85.07437	1.4
87.00745	8.8
89.02319	4.4
93.03315	1.7
95.01242	6.6
97.02805	1.9
99.00750	8.7
101.02338	6.8
103.00294	1.2
107.01289	2.6
109.02842	2.0
111.00755	3.3
113.02331	27.0
113.86766	1.5
115.00263	2.9
117.01777	2.6
119.04932	7.3
121.15444	1.5
123.00791	2.8
124.01513	2.3
125.02354	6.6
129.01768	1.7
135.04427	8.7
136.98677	1.5
137.02319	2.8
138.03140	2.5
139.00293	7.3
149.02357	2.9
150.03123	1.6
151.00278	4.8
151.03879	1.4
153.01845	3.2
153.05490	2.6
161.02277	1.9
163.00256	3.2
163.03813	1.6
165.01819	1.6
165.05473	2.6
167.03403	3.6
175.02422	4.0
175.03868	2.0
178.99809	1.8
179.03342	2.8
183.02779	1.4
187.04002	1.7
187.13396	2.3
189.01929	1.9
190.02559	1.8
191.03430	3.7
193.01366	2.1
203.03348	1.8
205.01282	1.9
205.04910	2.1
207.02895	1.6
207.04930	2.4
209.04489	2.5
217.01387	1.7
232.03769	1.5
233.04453	1.8
235.02480	4.5
243.02859	2.5
255.03038	2.4
256.03476	1.5
265.03503	2.9
266.84534	1.4
271.02536	11.2
271.05350	2.1
272.02872	8.6
273.03006	7.1
283.02530	2.8
283.05884	1.9
284.02844	1.9
285.03580	3.3
299.01907	15.0
300.02414	13.1
301.02982	20.5
302.03833	12.9
303.04074	9.1
328.05685	2.3
329.06546	1.7
371.07678	16.5
377.07147	5.1
385.09341	1.5
386.10257	1.9
389.12473	3.2
401.08093	9.2
401.12625	5.1
429.21182	1.7
431.13513	5.9
448.09619	3.3
449.09518	3.7
449.14774	23.2
450.14938	2.9
463.08459	3.1
464.08755	14.4
465.09427	8.6
473.10907	4.6
491.11914	26.1
492.12088	4.6
567.22937	100.0
568.23358	13.0
593.15448	1.5
611.15436	47.6
612.15723	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	611.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.4
59.01252	32.3
61.98714	2.6
63.02242	1.9
65.00191	2.4
66.03229	1.2
69.03360	1.9
69.31517	13.2
71.01263	26.6
72.01570	1.7
72.99184	4.6
73.02814	4.0
75.00734	4.0
81.03365	2.3
83.01243	6.0
85.02821	7.6
87.00744	6.5
88.98683	1.9
89.02330	20.0
93.03333	3.1
95.01250	1.8
95.69823	1.2
96.95876	2.3
97.02820	4.0
99.00772	2.2
101.02341	16.7
107.01257	6.5
108.02065	3.1
109.02850	4.3
113.02345	11.8
119.03415	6.6
119.04918	6.5
121.02856	6.7
123.04391	3.3
125.02358	19.5
137.02374	3.5
143.03424	3.3
145.02844	4.2
149.02313	2.1
151.00276	32.5
151.03865	3.7
152.01070	2.7
153.01862	3.1
160.68137	1.2
161.04443	2.8
161.05923	1.1
163.00270	5.2
163.03900	5.0
169.01390	2.5
175.03915	3.5
176.04369	1.4
177.01831	4.1
178.99806	15.0
179.05501	3.9
181.04932	2.3
183.13831	2.8
187.03992	1.8
189.05455	2.2
190.02635	2.1
194.26942	1.3
195.13855	6.6
203.03532	1.8
205.05055	1.5
211.03842	1.2
211.13335	19.0
212.13695	14.4
213.14955	71.0
214.15283	2.2
217.05031	2.9
227.03525	4.2
229.05011	1.9
235.08218	5.0
236.08609	1.3
243.02853	9.4
245.04488	2.1
255.02974	24.9
256.03546	2.3
271.02496	41.4
272.02924	3.8
273.04001	2.4
277.09253	1.3
283.02481	3.1
285.04037	6.1
299.01987	6.9
300.02756	80.3
301.03519	76.2
302.03812	5.8
313.03500	4.6
326.48779	1.3
329.14157	1.5
331.69290	1.5
337.09561	1.8
346.29428	1.4
397.13495	34.2
398.13895	8.2
399.13846	3.2
415.14566	16.5
416.14813	4.0
421.09302	2.5
447.09366	100.0
448.09488	9.0
449.09052	2.2
449.27145	2.1
461.08774	1.7
461.66852	1.6
465.08344	12.7
485.11142	1.3
593.13623	2.3
611.14148	24.0
611.23376	2.0
611.33179	3.5
612.14325	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	611.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73591	0.5
57.03310	0.7
59.01253	9.4
60.99171	1.0
61.98703	3.4
65.00195	1.5
68.29185	0.5
69.03331	0.7
69.36000	3.5
69.36406	1.1
71.01262	5.8
72.99173	1.0
73.02817	1.2
78.95768	0.8
80.96401	0.5
83.01265	1.6
85.02832	1.9
87.00741	1.1
88.98679	4.0
89.02317	3.5
95.01268	0.8
95.04854	0.6
97.02862	0.5
101.02320	2.9
107.01268	2.3
107.25665	0.6
109.02833	0.7
113.02317	2.5
119.01315	0.5
119.03353	0.8
119.04900	0.9
121.02804	0.6
125.02356	2.4
131.33932	0.5
135.00787	0.6
135.04402	0.9
139.22731	0.4
143.03355	0.9
145.02850	1.4
146.03574	0.8
146.40070	0.5
147.04453	0.7
149.02310	0.6
149.90750	0.5
151.00279	8.6
152.00961	0.6
155.04883	1.0
159.04465	1.1
160.01645	0.6
161.02304	1.3
169.01326	1.4
171.04413	1.6
175.03902	1.1
178.99806	2.7
181.08679	0.8
183.04483	2.3
185.02342	0.9
186.03114	1.5
187.03886	1.4
190.02588	0.5
199.03952	6.4
200.04288	0.6
201.01883	1.1
203.03430	1.5
211.03943	0.6
213.14919	12.3
214.02570	2.4
215.03381	2.7
227.03485	6.1
229.01515	0.8
235.08160	0.9
241.01405	10.4
242.02136	5.4
243.02997	14.5
244.03300	0.7
245.00922	7.0
253.09225	0.7
255.02968	8.4
256.03397	0.7
269.99374	0.4
270.01688	16.4
271.02472	28.8
272.02979	2.5
273.00467	0.6
282.01575	0.7
283.02457	0.9
287.22256	0.9
289.07303	0.9
297.04074	0.6
298.01199	9.4
299.01965	100.0
300.02588	17.6
301.03473	5.8
302.03641	0.7
313.03506	3.2
314.04169	0.7
315.04785	0.6
315.14447	0.6
397.13568	5.1
403.06738	1.2
415.14807	2.4
428.27991	0.5
431.06183	65.0
432.06824	19.0
432.26733	0.7
433.07428	2.2
449.08835	2.4
449.27374	0.7
461.08841	4.8
462.09018	0.6
479.09796	6.6
544.11688	0.7
575.24963	0.7
581.12756	1.2
611.14020	1.9
611.32373	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	1.2
59.01250	19.7
60.99194	1.6
61.98705	21.4
65.00214	1.5
69.03281	1.3
69.72701	1.0
69.87090	2.1
69.87496	6.4
71.01257	13.2
72.99164	2.3
73.02815	2.6
75.00742	3.6
78.95759	2.0
79.85327	1.0
80.96400	1.7
82.95262	1.1
83.01254	3.0
85.02812	5.7
87.00758	4.2
88.98679	8.6
89.02313	8.0
93.03349	2.2
95.01241	1.1
97.02858	1.4
99.00764	2.7
101.02338	5.3
101.03808	1.4
107.01280	2.1
109.02837	1.7
113.02338	5.8
115.00250	1.4
119.03399	2.2
121.02865	1.2
123.04475	1.3
125.02358	2.6
129.03365	1.0
137.02339	2.9
143.03410	1.1
145.02893	2.1
149.99356	1.1
151.00304	11.2
151.03899	1.8
152.00795	1.6
159.04453	1.4
160.01596	2.2
161.02322	1.4
161.04463	1.1
163.03894	2.1
165.01848	1.8
175.03915	2.5
178.99818	4.8
179.07097	1.2
181.05028	1.2
181.08664	2.6
183.04446	2.9
183.10356	1.7
187.04022	1.4
193.04980	2.1
199.03909	8.4
201.02066	1.3
211.13426	1.5
213.14854	8.3
214.02716	4.2
215.03432	2.5
225.11343	2.2
227.03439	5.1
229.01398	1.1
235.42603	1.2
241.01416	10.6
242.02159	5.7
243.02971	15.0
245.00807	6.1
249.11487	1.4
254.02432	1.2
255.02986	10.7
270.01700	18.7
271.02478	34.6
272.02905	2.3
287.22275	6.8
289.07202	1.2
298.01093	8.9
299.01965	100.0
300.02640	19.0
301.03537	7.1
313.03494	1.6
387.83871	1.1
397.13425	4.0
403.06760	1.4
415.14563	2.3
424.24268	1.1
431.06210	65.7
431.26367	1.6
432.06775	19.1
433.07449	2.2
446.06625	1.0
449.08826	2.7
449.27579	3.1
461.08746	5.3
479.09631	6.0
611.14215	2.2
611.23151	1.9
611.33270	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	611.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30295	1.3
59.01250	9.9
59.03661	1.4
65.00199	6.5
68.99677	1.4
71.01261	3.4
73.66180	1.3
80.20855	1.4
81.96431	1.3
83.01254	3.6
85.02826	3.2
87.00764	3.0
91.16757	1.5
95.01296	4.0
97.02822	1.9
99.00784	1.9
106.00488	1.6
107.01273	5.7
108.02100	2.0
109.02837	8.7
110.00005	2.2
111.00759	7.0
113.02303	1.4
119.04977	1.8
121.02809	1.6
123.00785	5.5
124.01553	3.6
124.98685	1.9
125.02336	3.0
133.02876	2.1
135.00809	1.8
135.04414	3.7
136.98714	2.2
137.02350	3.1
139.00270	8.4
139.03847	1.5
140.01111	1.6
143.04898	2.6
147.04459	3.4
148.01596	2.2
149.02339	3.1
149.99487	5.4
151.00281	21.6
152.01035	4.7
153.01842	4.8
154.99852	2.1
157.03101	1.4
159.04402	4.4
161.02351	5.4
163.00282	3.3
163.03941	2.2
164.98225	1.6
165.01865	1.5
165.98909	1.9
166.99777	4.5
168.00539	7.5
169.01331	3.8
170.03699	1.6
171.04361	2.3
174.03099	1.8
175.00273	1.7
175.03944	7.6
177.01820	3.6
177.98967	7.8
178.99786	33.5
179.07019	1.6
180.00291	3.0
181.98491	1.6
182.01772	1.5
187.03958	8.8
189.01839	4.3
190.02570	1.9
191.03520	1.8
192.00623	4.1
193.01353	4.6
194.99312	3.5
199.03923	4.6
201.01892	4.2
202.02533	1.8
203.03418	8.3
204.04063	2.2
204.97809	2.4
205.01413	3.6
207.02986	2.1
209.00818	2.6
214.02678	2.5
215.03430	7.7
219.02858	3.5
227.03537	3.6
229.01404	3.7
230.02110	3.0
230.40306	1.8
231.02939	8.5
232.03755	10.8
233.00925	2.6
233.04498	3.2
235.02402	3.5
241.01462	2.8
242.02188	1.6
243.02959	12.0
244.03592	1.7
245.00858	2.5
247.02435	2.7
258.01633	4.5
259.02454	9.1
260.03235	4.8
261.03830	1.4
269.00903	4.1
270.01639	3.2
271.02487	22.6
272.02859	1.8
286.01263	8.2
287.01987	35.7
288.02655	12.1
289.03497	2.2
297.00430	6.7
299.02017	6.7
300.02695	3.5
301.03479	3.2
303.01376	2.8
314.00696	6.5
315.01471	100.0
316.01898	9.2
332.01688	19.0
333.02283	3.8
371.07819	1.7
387.98062	1.6
431.10211	2.0
436.59775	1.5
471.11633	3.1
475.10556	2.7
511.14685	5.4
539.14075	5.9
567.13531	4.2
575.84711	1.6
593.11523	12.4
594.11609	2.2
611.12372	31.6
611.25592	4.2
612.13153	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.1
59.01249	1.4
64.63548	0.7
68.98331	0.6
70.57722	1.5
70.58088	1.3
71.01251	1.3
93.03339	0.9
95.04909	40.1
108.86871	0.8
111.08085	0.9
150.02975	1.6
152.02107	0.7
163.11176	0.7
171.10219	1.0
179.14436	1.0
181.12302	1.4
183.13815	2.0
189.05310	1.2
195.13840	10.1
197.11719	2.1
205.12354	1.0
205.15988	0.7
211.13390	1.5
223.13368	8.7
224.13902	1.0
225.11278	0.9
228.13672	1.0
246.12358	13.1
246.14780	1.2
256.13144	1.6
275.20212	4.7
278.11365	75.4
279.11700	5.3
280.11819	0.7
281.80188	0.7
293.21246	100.0
294.21570	9.0
300.02634	1.2
301.03275	0.8
315.19446	23.3
316.19678	1.8
359.23233	0.8
461.33005	0.7
572.32123	5.1
573.32782	0.9
609.26544	1.1
609.41876	8.8
610.41418	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	609.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	6.7
75.82171	1.2
78.95797	2.2
80.96387	1.4
86.64381	1.3
95.04923	4.0
97.06408	1.3
98.19759	3.0
99.00805	1.4
109.06516	1.6
121.10135	28.9
171.10196	74.0
172.10561	3.8
183.13905	4.2
185.11760	2.8
197.11815	3.8
207.10072	3.9
209.07985	1.8
209.11925	1.8
211.13336	2.1
223.13359	3.6
225.11290	2.0
227.12985	1.4
231.21213	5.4
271.02567	1.8
275.20178	97.9
276.20578	5.6
276.30539	1.5
278.11456	11.8
293.21252	100.0
294.21606	10.9
297.18329	2.4
300.02808	3.7
301.03638	2.0
309.20761	1.5
313.17807	1.6
315.19418	57.4
316.19952	4.1
353.92755	1.2
359.18436	13.1
443.26746	1.8
487.29175	2.4
502.49353	1.5
609.14948	2.0
609.41357	89.9
610.41638	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	609.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.0
57.03332	6.1
59.01252	84.3
60.99181	2.3
69.03333	1.7
70.06621	2.9
70.07037	6.0
71.01259	22.2
71.09969	1.5
72.99175	3.1
73.02831	4.5
75.00732	1.6
78.95762	1.4
83.01271	6.8
85.02813	14.1
87.00751	5.1
88.98691	5.1
89.02289	8.3
95.01267	4.3
96.44769	1.5
99.00768	2.7
101.02336	16.7
112.01602	1.9
113.02302	10.4
120.84264	1.6
124.01656	2.0
124.53807	1.5
125.02374	4.1
129.01782	1.6
134.03654	1.5
143.03383	2.3
151.00311	2.1
157.12285	2.4
161.04404	2.1
183.02927	1.7
187.13281	2.7
201.14989	2.4
207.56459	1.6
211.13351	21.2
212.13631	1.5
215.22850	1.8
255.02994	3.5
264.81088	1.7
271.02432	4.7
280.34067	1.6
300.02704	6.2
301.03400	3.3
311.52682	1.6
315.25299	2.0
343.04678	3.6
358.06958	3.1
359.28177	2.0
361.29559	12.3
397.13629	10.2
415.14612	2.4
457.31860	1.9
505.33807	100.0
506.33853	10.3
523.34900	21.6
524.35223	5.2
565.35913	2.8
609.14575	5.7
609.27783	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.7
58.00448	0.4
59.01254	12.5
61.98711	2.6
67.01734	0.7
68.99651	1.1
69.03299	1.2
69.45858	4.1
71.01257	15.1
72.98831	0.5
72.99181	5.4
73.02782	1.8
75.00746	17.1
78.98415	0.4
79.95572	1.8
80.96391	2.3
81.03307	0.6
83.01255	2.2
85.02829	17.0
87.00305	0.4
87.00752	5.6
88.49710	0.4
89.02320	3.4
93.03318	0.8
94.97930	0.6
95.01285	3.1
97.02783	0.6
99.00164	0.6
99.00761	8.2
101.02354	3.0
103.00209	1.3
107.01221	0.6
109.02824	0.7
111.00732	0.9
111.04414	0.5
113.02335	15.9
115.00184	1.6
117.01809	2.3
119.04857	0.5
125.02274	0.7
127.11137	0.6
129.01801	1.4
131.03415	0.5
136.03877	0.6
137.02278	0.6
141.12660	0.5
151.00255	1.4
157.01230	0.7
161.02280	0.5
163.03941	0.6
169.01331	0.5
175.02368	1.8
175.03902	1.2
176.41998	0.5
183.77635	0.5
185.11723	0.6
211.13347	2.9
231.04991	0.6
243.02821	1.1
247.07431	0.4
249.06131	11.5
250.06352	0.8
255.02975	1.4
267.07181	1.2
271.02527	3.2
285.20676	0.6
294.30649	0.4
299.02130	0.5
300.02756	3.5
301.03552	3.5
311.22379	1.0
311.25638	0.7
313.23865	6.7
314.24081	0.7
341.26883	1.5
357.26550	1.2
359.28040	61.2
360.28345	7.0
397.13626	1.1
415.15219	0.6
455.24463	0.8
554.45642	0.6
591.34106	0.9
609.14240	2.9
609.35016	100.0
610.14679	0.7
610.35370	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76043	1.0
55.01746	1.7
57.03314	1.7
58.00445	1.6
59.00962	1.1
59.01255	28.9
61.98708	30.3
69.03313	1.4
71.01257	34.6
71.57641	1.8
72.99158	3.0
73.02828	20.2
73.97871	1.0
78.95794	8.8
78.98473	5.2
79.95182	1.2
79.95612	16.0
80.96399	60.8
81.03310	1.1
81.92348	0.9
81.92925	0.9
81.95195	1.7
82.95972	5.1
82.96827	1.2
83.01218	1.1
83.68034	0.9
85.02825	12.2
87.00733	3.8
88.66540	1.0
89.01831	1.5
89.02323	26.4
91.57574	1.1
94.97964	14.3
95.01298	4.8
96.96855	1.9
97.02799	2.8
99.00766	54.9
100.01081	1.7
101.02333	14.6
106.97952	2.7
113.02341	22.7
119.03415	1.3
122.97446	3.0
125.02289	4.3
131.03400	8.9
134.97415	3.8
135.07988	4.5
136.98997	1.6
143.03368	2.2
148.99055	5.4
149.03339	1.8
149.04478	28.7
152.98460	3.6
152.99475	8.0
161.04468	10.3
164.98567	12.0
172.29738	1.0
191.05571	21.4
206.99600	2.3
209.11734	1.2
211.13364	6.3
222.99992	1.2
225.00739	14.4
233.06638	6.0
235.16963	1.7
241.00989	3.3
271.20584	3.9
275.20068	2.2
293.08740	1.8
293.21378	5.0
299.04401	2.0
300.02679	1.4
311.22385	1.1
315.04752	2.3
315.19666	11.3
316.19809	1.1
339.19510	1.8
397.13342	2.8
412.73938	1.2
535.93970	1.2
536.29547	1.1
601.55780	1.1
609.25616	100.0
610.25867	13.8
636.25586	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	609.2684
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
69.37501	10.8
71.01292	1.5
78.95781	61.2
80.96393	5.1
82.95989	3.9
96.96851	9.6
98.19829	3.2
152.99503	70.6
171.00558	2.3
195.13878	7.6
211.13347	3.0
223.00090	8.9
223.13374	6.1
241.01178	28.8
259.02161	2.5
275.20227	4.2
293.21231	37.3
294.21689	4.1
315.04980	12.8
356.39841	1.5
609.26697	100.0
610.27075	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	609.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79016	1.0
59.01235	3.9
61.94802	1.0
61.98706	2.0
66.79333	1.0
69.43409	10.0
71.01260	2.0
71.04900	2.2
75.06380	1.0
78.95779	63.8
80.96384	3.0
95.01320	1.0
95.70891	1.0
96.96845	13.7
99.80030	1.0
116.27483	1.2
150.97884	1.4
152.99493	100.0
171.00569	3.0
177.57806	1.3
182.12833	1.1
209.11812	6.6
209.28226	1.1
211.13242	2.4
217.15829	1.1
223.00131	9.8
223.17059	1.9
225.00620	1.4
235.17009	8.1
241.01134	23.3
259.02283	1.6
259.22452	1.1
271.02661	1.4
275.20236	8.8
293.21255	17.7
294.21652	1.4
300.02643	1.8
315.04889	16.9
438.31735	1.5
609.26740	85.2
610.26855	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	609.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.2
61.98700	2.0
71.01260	1.9
77.43106	0.7
78.95780	76.4
79.95639	1.1
80.96395	5.5
82.95979	1.0
85.02830	1.9
89.02331	0.8
92.62955	0.7
94.97988	0.8
96.96272	1.1
96.96851	14.8
96.97475	0.6
97.06464	0.9
99.01999	0.7
101.02304	0.8
110.98426	0.9
123.42431	0.6
125.02329	0.7
150.97943	0.9
152.99503	63.1
153.99805	1.1
171.00598	1.0
171.10312	1.1
195.13850	6.9
205.12196	0.7
209.11781	5.0
211.13387	2.0
223.00084	4.2
223.13321	4.8
225.00729	1.1
227.12981	1.0
235.17061	2.5
241.01155	31.6
242.01582	0.8
259.02261	2.7
275.20181	3.6
276.20306	0.7
293.21231	28.0
294.21637	1.5
299.01611	0.7
300.02658	1.7
307.19171	1.2
315.04910	11.6
325.20377	0.8
333.05728	0.9
429.20459	6.9
609.26733	100.0
609.99792	0.8
610.27118	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.7
57.50761	0.7
59.01253	2.1
61.98690	2.3
69.33543	3.3
69.33968	3.3
71.01249	1.8
74.78230	0.6
78.95775	72.0
79.75057	0.6
79.95606	1.4
80.96404	5.6
82.95947	1.6
84.15862	0.6
84.44717	0.6
90.14126	0.7
94.97937	1.5
96.96841	11.6
97.55930	0.6
100.12656	0.6
101.02287	0.7
102.64590	0.6
106.64159	0.8
111.08012	0.9
138.30319	0.6
141.34351	0.7
152.99489	79.7
153.99828	1.0
160.91705	0.6
164.98567	1.1
167.10741	0.9
171.00569	1.7
179.14372	1.3
181.12170	0.8
183.13811	1.0
195.13852	8.4
196.14484	0.7
205.12285	1.3
211.13341	2.4
218.57642	0.7
223.00069	7.1
223.13335	6.6
225.00775	1.0
241.01154	25.9
246.34918	0.7
251.59842	0.7
256.13101	0.7
259.02264	2.5
260.05615	0.7
275.20163	3.8
293.21225	48.0
294.21536	4.4
296.98532	0.8
315.04858	12.9
333.05859	2.0
346.14032	0.7
363.29831	0.8
373.23416	0.9
400.58517	0.7
490.28848	0.7
514.42249	0.7
536.30774	0.7
566.82678	0.8
581.00671	0.8
609.26685	100.0
610.26990	14.2
622.03308	0.9
627.00494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.7
59.56911	0.4
61.98706	0.6
63.96117	0.6
69.03327	0.6
71.01251	7.5
73.02823	1.7
78.98463	5.0
79.95605	10.9
80.96390	62.0
81.03313	0.6
85.02833	2.1
87.00752	3.3
94.97964	15.0
96.95879	1.1
97.02832	1.5
98.19829	1.1
98.57065	0.4
101.02336	2.6
106.97955	2.6
122.97486	5.4
125.02358	3.0
127.03902	1.0
134.97495	5.0
136.99068	1.5
148.99040	5.3
152.98532	8.6
152.99704	0.9
164.98543	12.4
165.98909	0.5
167.00111	0.6
173.63681	0.4
182.99576	2.5
197.11713	1.3
206.99608	3.3
225.00693	19.2
226.00929	0.6
229.75986	0.5
234.91965	0.4
240.91508	0.4
243.01761	1.5
299.04367	2.5
505.82578	0.5
609.25836	100.0
610.26221	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	609.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
59.01254	100.0
60.01588	1.1
65.00205	0.9
71.01259	5.4
72.15993	0.5
72.99181	1.1
73.02840	1.9
74.89718	0.4
75.00763	1.4
83.01274	1.2
85.02827	3.0
85.97375	0.5
87.00785	1.0
89.02324	2.5
93.80667	0.4
95.01283	0.9
97.02873	0.6
98.19759	1.0
99.00770	1.3
100.92254	0.4
101.02322	3.0
107.01308	1.7
108.02114	0.6
109.02851	0.7
113.02359	2.3
119.03430	1.0
121.02867	0.9
121.10265	0.4
123.00772	0.7
125.02324	1.2
137.02405	0.8
139.00293	0.5
143.55380	0.5
149.02451	0.7
150.03096	1.2
151.00285	4.4
153.01845	0.9
161.02379	0.7
161.04492	1.3
163.00258	0.5
165.05536	0.9
169.01387	0.6
175.03949	0.5
178.99860	2.0
179.05685	0.5
183.13824	0.7
194.00854	2.3
203.03398	0.6
211.13367	7.1
215.03436	0.6
221.06764	0.5
226.02760	0.6
229.01270	0.6
235.08284	0.7
243.03008	3.1
246.71738	0.4
255.03053	4.2
268.07431	0.7
271.02487	9.8
272.03134	1.3
283.09735	0.7
285.04166	0.6
287.02179	0.8
296.07047	0.5
299.02106	1.9
300.02753	15.0
300.06155	0.8
301.03491	10.6
302.03952	1.0
309.07715	0.6
312.06366	1.0
312.99890	1.0
322.08377	0.6
323.09528	1.5
327.08865	3.1
329.16162	1.1
331.01257	0.9
338.11792	0.8
339.08807	4.6
339.12360	0.8
342.11053	2.7
354.11221	1.7
357.13419	11.8
358.13980	1.1
361.16641	1.5
369.13412	12.0
369.17621	0.9
370.13904	1.2
392.89713	0.5
397.13507	2.7
415.14798	2.3
433.07809	1.1
447.09323	6.1
448.10165	0.5
463.08783	3.3
491.21243	2.7
530.55884	0.5
549.58398	0.6
609.14899	9.6
609.26099	2.9
610.14880	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	609.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55220	0.6
57.03300	1.2
59.01250	11.5
69.57497	5.3
70.15777	0.7
71.01256	14.4
72.99181	2.2
73.02819	0.8
75.00746	8.0
78.95776	1.2
82.02505	0.7
83.01280	0.9
85.02821	15.8
87.00746	6.2
89.02309	4.9
91.03886	1.0
95.01263	3.1
95.25439	0.9
95.98393	0.6
98.19793	1.2
99.00742	4.6
103.00254	1.3
107.01237	0.9
113.02332	24.5
115.00256	0.8
115.58843	0.6
117.01825	1.6
117.11646	0.7
129.01813	0.9
131.03484	0.7
136.03786	0.7
141.13034	0.7
151.00291	2.4
161.50410	0.7
175.02376	1.3
207.05132	1.2
243.02867	1.5
249.06134	2.0
255.02979	1.7
265.09299	1.2
267.07211	100.0
268.07504	4.3
271.02451	10.5
283.02548	2.4
285.03903	2.2
299.01987	19.6
300.02679	4.6
301.03519	15.6
302.03836	1.5
447.09412	4.7
457.28705	0.7
462.07956	5.0
463.08673	6.6
464.08817	0.8
609.14807	13.6
610.14905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.9
59.01254	100.0
65.00198	1.2
69.28395	6.2
69.28824	5.0
71.01243	8.9
71.21365	1.0
72.99179	2.7
73.02820	2.9
75.00737	3.4
83.01258	3.0
84.16759	1.0
85.02827	5.3
87.00738	1.8
89.02318	4.7
91.03918	1.0
95.01254	2.0
99.00769	2.8
101.02340	4.8
107.01280	3.2
109.02828	2.3
111.00768	2.0
112.38403	0.9
113.02310	6.7
116.05906	1.0
119.03389	1.1
121.02843	3.2
121.08684	1.2
123.00805	1.3
125.02330	3.2
125.06430	1.1
128.65434	1.1
137.02361	1.3
148.01582	1.6
149.02370	1.4
150.01945	1.6
150.03113	3.2
151.00294	10.8
152.01027	1.7
163.00180	1.6
163.03934	1.7
165.01840	1.2
165.05493	3.4
175.03764	1.2
178.99724	7.4
183.13744	1.0
187.04062	1.6
194.00900	18.6
195.06613	2.5
199.04048	1.8
201.88208	1.2
209.08284	1.4
211.03990	1.2
211.13342	14.1
227.03650	1.4
235.08278	1.2
243.02989	7.3
255.03027	13.1
267.07141	1.2
270.99731	2.3
271.02469	25.8
272.02875	2.4
273.03830	1.2
285.04218	1.6
299.01947	7.3
300.02740	44.1
301.03500	34.0
302.03693	1.7
327.08652	2.8
329.16049	1.9
339.08609	4.6
342.10760	1.1
344.03769	1.4
354.11182	1.7
357.13394	13.5
358.13635	1.6
361.16403	2.6
369.13452	11.2
397.13568	4.4
415.14709	3.0
447.09348	24.7
448.09464	2.7
463.08862	11.5
464.09167	2.0
491.21002	2.1
609.14587	18.3
609.26160	4.5
610.14679	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	609.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.2
59.01256	31.9
63.02244	2.0
65.00195	4.3
67.01749	1.9
67.87749	1.7
69.50130	12.8
71.01256	23.6
72.19456	1.4
72.99171	5.0
73.02823	5.3
75.00748	14.3
80.67581	1.3
83.01260	6.0
85.02826	16.6
86.98139	1.4
87.00760	8.3
89.02322	12.0
93.04693	1.5
95.01274	4.5
96.95926	2.2
97.02834	2.0
99.00745	7.2
101.02319	12.5
107.01252	6.9
108.02038	2.6
108.04348	1.5
109.02840	2.7
109.99979	6.6
111.00758	5.8
113.02332	17.4
115.00288	2.3
116.92741	5.7
119.03384	3.4
119.04914	3.6
121.02812	3.6
123.00787	4.3
124.01556	4.5
125.02354	6.9
129.01801	3.0
130.59573	1.4
131.03424	1.9
131.04550	2.5
133.02878	1.9
134.03592	2.2
135.00720	2.1
135.04439	1.7
136.01530	2.2
136.98677	3.4
137.02393	2.8
137.99513	2.3
139.00290	7.9
143.03481	1.7
148.01654	1.9
149.02344	3.6
151.00285	21.7
151.03856	3.7
152.01010	6.8
153.01810	2.6
159.04486	2.2
161.02344	2.1
161.04498	3.4
163.00290	5.2
163.03925	4.0
164.01062	6.0
165.01927	1.5
165.99023	7.0
166.02684	2.8
166.99762	4.4
169.01389	3.9
169.02870	1.5
171.04333	1.7
174.03081	3.1
175.02437	2.0
175.03928	3.9
177.01732	1.8
178.99791	17.7
179.05620	1.7
181.04961	3.5
183.04517	2.1
183.13847	4.9
184.06306	1.6
187.03941	5.5
189.01848	2.0
190.02553	2.8
193.03383	2.7
198.03107	1.6
199.03972	3.5
201.01862	2.8
203.03447	4.2
211.13347	41.2
212.13831	1.6
214.02725	4.2
215.03409	4.9
216.04105	1.7
219.05107	1.4
226.02374	1.8
227.03453	8.5
229.01445	2.2
231.02945	4.5
232.03712	1.8
235.08200	2.2
239.75772	1.4
242.02174	6.6
243.02962	15.4
244.03442	2.5
255.03041	15.8
256.03528	1.7
259.02396	4.3
270.01651	8.0
271.02469	73.2
272.03088	12.3
273.03799	2.3
283.02536	2.2
285.04092	5.6
287.01941	16.3
288.02737	10.1
298.01169	3.7
299.01978	49.3
299.29980	1.4
300.02710	50.9
301.03510	36.8
302.03979	1.7
315.01404	5.1
315.05072	7.0
316.02237	94.5
317.02771	13.7
323.07599	2.1
326.18622	1.6
329.16208	1.8
387.14456	7.4
397.13556	14.0
415.14456	8.1
447.09183	4.2
463.08850	2.5
528.41333	1.8
536.44672	1.6
591.13623	6.6
598.75812	1.6
609.14563	100.0
609.27484	56.1
610.14783	16.5
610.25031	2.1
610.27911	2.1
611.83002	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53667	0.6
59.01246	0.6
63.02276	1.4
65.00195	1.8
69.83904	2.9
69.84303	1.3
71.07861	0.6
72.40062	0.6
80.53484	0.7
80.92699	0.7
83.01242	1.4
98.19732	0.6
107.01263	4.4
109.02827	2.6
121.02840	2.7
125.02332	0.8
133.02869	1.2
134.73567	0.7
135.00716	1.1
143.04982	0.8
149.02332	1.1
151.00284	11.2
159.04320	1.3
161.37299	0.6
163.00314	1.3
164.01114	0.7
171.04411	1.4
174.03040	0.7
175.00290	2.3
175.03897	1.3
178.99767	2.6
183.04507	1.7
185.06128	0.9
187.03909	1.5
190.99840	0.8
192.00470	0.7
199.03951	5.1
201.01874	1.1
201.05467	0.9
203.03435	0.7
211.03929	1.3
215.03470	3.0
226.02611	1.8
227.03471	7.1
229.04906	1.3
243.02968	8.1
244.03433	0.7
254.02353	0.8
255.02966	10.4
256.03436	1.4
270.01746	0.7
271.02472	75.6
272.02838	6.0
283.02466	8.4
284.02994	1.6
285.04044	6.9
297.04111	0.7
299.01956	85.8
300.02548	17.1
301.03525	74.1
302.03702	5.0
313.03375	0.8
341.05356	0.9
343.04468	2.2
446.08493	1.4
447.09280	26.7
448.09442	2.4
462.08011	35.4
463.08749	36.9
464.09103	3.8
483.00870	0.7
489.10599	1.0
609.14606	100.0
610.14862	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	2.0
70.33767	1.4
70.34132	1.3
83.01242	0.8
107.01250	3.5
108.02057	2.3
109.02832	1.7
121.02825	2.4
122.57036	0.6
135.00780	1.0
144.82007	0.7
148.01563	2.2
149.02350	0.9
150.99139	1.2
151.00279	15.4
163.00301	3.5
164.01039	0.6
178.99783	8.8
183.04327	0.8
187.03928	1.1
199.03903	1.9
200.53040	0.7
211.04065	1.2
216.04173	0.8
226.02661	1.7
227.03415	3.6
243.02951	12.3
244.03429	0.8
245.04507	1.8
254.02164	2.6
255.02971	33.4
256.03305	2.7
271.02469	71.2
272.02884	7.0
273.03983	1.3
283.02466	1.3
299.01959	2.1
300.02740	100.0
301.03445	43.9
302.03973	3.4
423.86270	0.7
447.09338	3.7
609.14612	55.3
610.14874	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	6.7
65.00185	1.1
68.90730	0.7
69.40131	6.6
71.01252	3.0
72.99180	0.7
73.02809	0.8
74.26695	0.7
83.01257	1.5
85.02834	3.3
89.02309	1.8
99.00753	1.2
101.02334	1.4
103.39104	0.7
107.01264	2.4
109.02850	1.9
113.02328	2.7
121.02846	1.6
131.04819	0.7
151.00270	8.5
163.00261	3.1
175.03976	1.0
178.99748	2.2
187.03889	0.8
196.20801	0.8
199.03938	5.1
201.01865	1.2
211.13344	2.1
215.03410	1.8
215.08992	0.9
216.04105	0.8
226.02672	3.3
227.03432	5.9
237.29358	0.7
237.90508	0.6
243.02968	10.6
244.03307	1.1
245.04533	1.0
254.02238	3.0
255.02991	8.4
271.02481	76.6
272.02921	8.1
284.03159	1.3
285.04236	1.1
299.01974	93.0
300.02716	54.1
301.03485	23.3
302.03726	1.5
314.04260	1.8
315.05109	23.6
316.05402	2.5
329.16241	1.1
397.13171	1.0
443.41501	0.8
463.09296	1.1
477.10275	3.2
478.96243	0.9
594.12256	6.3
595.12469	0.9
609.14624	100.0
609.27100	5.6
610.15063	14.8
610.25983	0.9
610.28192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71466	1.1
59.01229	1.2
60.64131	1.0
61.98706	100.0
65.01788	1.1
97.70400	1.1
132.05260	1.1
171.10114	1.8
181.25430	1.4
203.24382	1.1
232.84146	1.1
251.09290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31295	0.4
65.00196	1.3
69.63713	1.2
69.64138	2.1
83.01275	0.8
107.01284	1.7
108.02068	2.2
109.19525	0.4
121.02842	0.5
130.19357	0.5
135.00757	0.7
145.29710	0.5
148.01538	1.4
151.00267	4.3
153.01826	0.5
163.00240	1.3
164.00980	0.6
178.99806	2.9
188.04541	0.4
199.03998	1.4
199.59966	0.4
201.01604	0.4
203.03572	0.6
211.03944	0.7
215.03448	0.9
226.02646	1.8
227.03500	2.8
243.02980	13.3
244.03481	1.5
254.02245	2.3
255.02979	29.1
256.03284	2.4
271.02478	70.5
272.02921	6.5
288.02548	0.4
299.01917	2.9
300.02747	100.0
301.03253	12.4
367.41058	0.5
565.21649	0.9
609.14575	33.9
610.14948	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	607.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	5.5
59.01256	100.0
71.01260	30.2
73.02840	8.2
75.00744	4.2
81.81591	3.1
82.63246	3.3
83.01233	3.4
85.02834	16.4
87.00765	6.7
89.02332	5.3
95.01244	3.6
97.02837	4.1
98.19740	7.6
99.00780	4.8
101.02327	12.7
113.02313	15.2
125.02362	7.1
129.16324	3.6
137.11246	3.4
143.03400	4.2
153.12811	3.2
155.10675	6.3
201.14850	7.3
209.11798	7.7
230.15163	5.9
299.02084	5.4
335.17145	3.1
359.28043	19.8
503.32281	97.1
504.32422	14.4
521.33252	36.1
522.33661	4.7
577.63141	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	607.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	8.6
61.98708	44.0
69.03316	3.3
69.28834	12.9
70.14867	1.3
71.01257	8.3
71.04858	1.5
73.02770	1.4
78.95781	30.7
78.98457	3.2
79.95615	13.9
80.96395	39.1
82.95310	1.7
83.04904	1.8
85.02802	4.0
87.00748	1.8
94.97955	9.4
96.05000	1.3
96.96827	5.6
97.02827	2.1
101.02322	2.7
106.97967	2.3
108.01410	1.7
108.02039	11.7
109.02805	5.3
121.10024	2.1
122.97477	2.2
125.02319	3.3
127.11167	1.9
148.99037	2.8
152.01076	7.5
152.99527	33.5
153.01663	4.0
164.98547	7.2
167.10628	3.1
179.14308	4.1
181.08574	5.1
182.99612	1.7
185.11740	2.0
195.13866	9.7
205.12299	9.7
206.99600	2.1
209.11697	5.8
211.13246	4.2
223.00008	2.4
223.13364	100.0
224.13821	8.2
225.00717	11.5
241.01237	14.3
247.20631	2.0
252.14931	1.3
263.20053	1.8
273.18475	2.2
291.19608	14.6
292.19839	2.2
299.04489	2.3
309.20685	1.7
315.04752	6.5
339.93524	1.6
502.58511	1.7
509.16748	5.6
589.23114	2.8
607.24713	74.0
608.25073	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	608.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.7
59.39994	0.3
59.89650	0.3
61.98708	100.0
63.96100	0.3
68.96088	0.2
69.42712	0.6
69.43114	1.9
71.01260	2.6
71.49836	0.3
73.02818	0.3
75.00727	0.2
78.95782	1.0
78.98482	1.1
79.95614	4.2
80.96400	15.6
82.95985	0.4
83.77615	0.3
85.02834	0.6
87.00771	0.9
94.97973	3.9
96.96832	0.3
97.02863	0.6
98.03273	0.3
101.02345	0.6
106.97987	0.9
113.02351	0.4
122.97475	1.1
125.02377	0.8
134.97516	1.2
136.99101	0.4
148.99054	1.1
150.94511	0.2
152.98524	0.9
152.99542	0.8
164.98552	2.4
182.99548	0.5
206.99666	0.6
211.13446	0.5
225.00722	3.9
248.87791	0.3
271.02521	0.3
299.04617	0.6
608.24750	10.6
609.25708	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75441	1.6
55.01760	2.6
57.03329	4.2
58.00453	3.0
59.01256	94.5
59.59489	1.9
65.81586	2.3
69.03310	1.7
69.32022	10.6
69.32446	7.4
71.01259	32.2
72.99210	3.6
73.02827	10.2
75.00755	9.2
80.96395	4.0
81.03297	1.9
83.01277	6.0
85.02825	28.0
87.00759	5.2
89.02328	7.4
95.01265	4.7
97.02825	3.7
99.00766	7.7
101.02327	21.4
111.00760	2.9
113.02334	23.4
121.10130	3.9
125.02315	3.1
161.04468	5.4
171.13838	2.5
174.71965	1.7
176.42181	2.0
201.14923	13.8
209.11835	4.7
249.06194	3.2
267.07193	11.4
339.09674	1.8
345.19254	4.8
359.28015	3.1
363.50742	2.0
397.13382	2.2
503.32321	100.0
504.32657	17.0
521.33368	22.1
522.33386	4.3
607.25470	25.3
607.34564	1.8
608.26312	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	607.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.3
55.11900	0.8
57.03309	2.6
58.00459	1.2
59.01248	17.3
60.20204	0.7
61.98717	3.8
68.99689	1.5
69.03335	1.9
69.65148	1.8
69.65555	4.2
71.01254	21.3
72.99169	6.1
73.02824	4.3
75.00743	16.9
78.98462	1.6
79.95613	5.9
80.95909	1.2
80.96394	22.9
81.03306	1.1
83.01260	2.7
85.02831	17.4
87.00755	8.9
89.02325	5.9
93.03336	1.7
93.03947	0.7
93.08176	0.9
94.97966	5.5
95.01259	3.5
99.00767	7.3
101.02309	4.2
103.00258	1.6
106.97948	1.5
109.02792	1.2
109.28205	0.8
111.00769	1.2
113.02335	17.2
115.00199	1.4
117.01827	1.8
119.03426	1.2
119.04938	1.1
121.02841	3.3
122.97460	1.4
125.02338	2.8
129.01826	1.2
137.02344	2.6
148.99031	1.3
151.00227	1.1
152.98483	1.7
152.99551	0.8
161.04535	1.6
163.03911	1.5
164.98511	2.6
167.70284	0.7
175.02388	2.1
175.03877	1.4
182.99506	0.8
185.11761	1.0
199.13353	3.2
205.05084	1.0
206.99638	1.5
209.07802	0.7
209.11780	5.8
211.13390	0.9
225.00668	5.6
231.05029	1.0
249.06177	9.4
259.51743	0.8
297.24365	1.9
299.04630	1.1
325.23865	1.3
327.25388	12.4
328.25638	1.2
337.39972	0.8
339.25403	3.9
355.24915	1.1
357.26459	41.5
358.26828	4.7
397.13370	1.7
461.20041	3.3
485.17264	1.2
547.31726	0.9
563.34198	0.8
589.32178	1.6
607.24121	27.6
607.33307	100.0
608.24426	5.3
608.33661	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	607.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.2
58.00466	1.5
59.01258	32.7
69.03329	1.8
71.01259	35.0
71.57977	1.8
72.99184	5.3
73.02817	9.1
75.00748	7.7
77.51225	1.3
81.03336	2.9
83.01254	5.3
83.04896	8.3
85.02829	7.5
87.00761	11.0
88.97916	1.3
89.02329	27.7
95.01270	3.7
96.95871	2.8
97.02859	7.9
99.00751	4.1
101.02334	28.5
111.00742	1.5
113.02347	15.2
119.03446	6.9
119.04930	3.4
125.02324	9.8
131.03406	1.4
135.02878	7.2
137.02344	3.3
143.03409	6.5
161.04494	19.0
163.11192	3.6
165.01869	1.4
165.12804	2.0
179.05515	9.2
209.11778	100.0
210.12102	5.5
221.06609	2.0
235.08182	7.6
253.09270	2.6
255.03035	1.8
263.07700	2.7
266.32932	1.5
271.02420	1.8
281.00375	1.5
283.02615	6.2
284.02689	1.5
300.02243	1.6
310.01120	1.8
311.01917	7.6
312.02423	1.7
313.03278	1.3
339.01450	12.4
340.01752	1.5
397.13513	25.5
415.14655	19.9
416.14691	1.8
417.63440	1.4
445.11533	2.9
471.05466	3.9
489.06882	2.1
493.69586	1.6
576.49017	1.5
607.25177	3.7
636.73932	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	607.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16143	0.5
53.01819	0.6
53.32111	0.5
57.03327	0.6
58.67030	0.6
59.01251	2.6
61.98708	9.4
63.96104	1.2
66.01752	0.5
67.60649	0.6
69.03318	1.1
71.01261	11.2
71.57726	0.7
71.58069	0.7
73.02817	2.7
78.95779	5.4
78.98462	6.4
79.95614	32.9
80.96397	85.0
81.03323	1.7
83.01274	0.6
83.04903	0.6
83.69846	0.5
85.02819	4.1
87.00765	3.4
89.02305	0.7
89.92715	0.6
91.93694	0.7
94.97971	19.0
95.01247	0.9
96.95875	2.1
96.96851	1.2
97.02824	2.4
99.00746	0.8
101.02338	3.4
106.97972	4.1
108.01369	0.9
108.02066	11.0
109.02843	3.8
113.02368	1.2
121.10191	0.7
122.97469	7.8
125.02346	3.8
127.03909	1.2
134.97484	5.7
136.99033	1.8
148.99049	6.9
152.01068	6.6
152.98502	8.0
152.99519	5.3
153.01793	1.6
163.73477	0.7
164.98558	14.0
165.12700	0.6
179.00082	0.8
181.08578	1.1
182.99611	3.6
185.11803	1.2
185.61839	0.6
186.84093	0.6
189.05359	0.6
197.11528	0.6
206.99571	4.7
209.11790	3.8
211.13333	0.9
223.00064	1.0
223.13301	0.7
225.00708	23.1
241.01050	2.0
243.01782	3.2
291.19702	3.6
299.04465	4.8
315.04324	1.5
371.06293	1.3
385.08029	0.8
397.13412	0.7
509.10068	0.9
509.17020	14.0
510.16779	1.4
515.38501	0.6
570.01709	0.7
579.24438	1.8
589.23096	3.1
607.24335	100.0
608.24640	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	607.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84730	0.5
59.01255	8.1
63.96108	1.8
66.43418	0.6
69.03324	0.8
70.07776	2.3
71.01255	13.3
72.99201	1.4
73.02840	3.1
73.31937	0.5
75.00747	2.1
78.95788	0.7
78.98474	5.1
79.95612	10.5
80.96397	66.5
81.03329	1.3
83.01254	1.3
85.02818	5.7
87.00764	3.8
89.02322	3.3
94.97971	15.7
96.95853	0.9
97.02822	2.0
99.00753	1.3
101.02329	5.2
106.97968	2.3
113.02355	3.7
117.87009	0.6
119.03388	0.9
122.97482	5.9
125.02366	4.2
127.03902	1.1
134.97498	4.6
136.99023	1.0
148.99063	6.3
152.98544	7.7
161.04561	0.7
164.98567	13.0
179.05731	0.6
182.99606	2.3
195.13811	0.5
206.99709	3.5
209.11772	10.6
225.00702	18.7
235.08208	1.1
243.01802	1.0
283.26514	0.7
289.18304	1.1
299.04495	3.2
357.26419	1.4
372.09650	0.7
397.13531	5.6
415.14761	3.0
606.32635	0.8
607.24280	100.0
607.32129	4.9
608.24536	12.4
637.76917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2433
Annotation	Tiliasine
Peak:m/z	Relative Intensity
58.63279	0.5
59.01248	1.3
63.96106	1.2
69.03335	1.3
69.53799	3.8
70.88870	0.4
71.01250	6.8
72.99179	0.4
73.02826	2.1
78.95780	1.2
78.98464	5.2
79.53768	0.4
79.95610	15.0
80.96394	70.8
81.03342	0.8
85.02840	2.8
87.00759	2.7
87.01215	0.4
93.97208	0.6
94.97964	15.9
96.95901	0.8
97.02828	2.0
98.19828	0.8
99.00744	0.7
101.02311	3.2
106.97971	3.1
122.97460	4.4
125.02355	2.9
127.03898	0.9
129.61658	0.5
134.97507	4.4
136.99036	1.4
148.99037	5.7
152.98499	7.5
152.99550	1.5
156.41635	0.5
164.98557	10.5
167.00085	0.9
182.99661	2.5
188.98625	0.6
206.99629	2.7
209.11816	0.9
223.00381	0.6
225.00699	16.5
243.01750	1.5
252.90291	0.5
291.19666	1.0
299.04605	2.5
304.33197	0.5
330.91858	0.5
356.20181	0.6
607.24341	100.0
608.24707	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	607.2433
Annotation	Tiliasine
Peak:m/z	Relative Intensity
55.95406	0.4
57.03323	0.8
59.01260	5.0
62.52734	0.4
63.83344	0.4
63.96108	2.0
64.96891	0.5
65.87312	0.4
67.11303	0.4
69.03327	1.3
69.37387	3.6
71.01257	12.7
72.99185	2.0
73.02827	2.8
75.00755	3.6
75.99960	0.4
78.27810	0.4
78.98466	7.2
79.95612	14.9
80.96397	80.4
81.03329	1.1
83.01271	0.7
83.38587	0.4
85.02831	7.4
87.00761	5.7
89.02301	0.9
94.97967	18.6
95.01249	1.7
96.95903	1.0
97.02843	1.8
99.00755	2.6
101.02332	4.1
103.00272	0.6
106.97964	3.4
107.51877	0.5
113.02341	4.4
115.00257	0.5
120.81141	0.4
121.02808	0.5
122.97472	7.9
125.02345	4.2
127.03929	1.2
134.97473	5.6
136.99051	2.4
147.04495	0.7
148.99049	6.8
151.31734	0.5
152.98557	8.4
164.98569	12.1
175.02412	1.2
182.99611	2.7
185.11824	1.1
206.99648	3.7
209.11749	0.7
225.00700	18.8
226.00941	0.6
243.01785	1.6
245.19229	0.5
249.06219	2.6
289.18137	1.3
299.04440	2.6
309.24469	0.5
327.25458	3.4
339.25403	0.7
357.26443	10.1
397.13614	0.5
461.20593	0.6
509.91727	0.5
607.24359	100.0
607.33490	25.8
608.24738	13.9
608.33795	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	606.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	46.9
70.06367	30.5
71.01263	44.3
72.99187	11.8
73.02821	20.5
75.00756	21.5
81.18585	6.5
85.02832	16.8
87.00756	12.4
90.95248	5.9
93.03378	7.7
94.44920	5.3
94.81049	6.0
95.01311	8.9
96.95866	6.3
99.00742	14.8
101.02327	15.4
109.02818	20.0
113.02337	29.3
119.13644	5.3
121.02844	10.6
125.49641	6.3
137.02364	18.0
138.39896	6.2
148.01578	30.8
149.02338	14.6
151.00273	12.5
162.01910	17.5
163.00255	8.6
164.03383	7.8
165.01820	9.1
175.00247	12.3
177.01849	77.9
186.01942	19.7
190.01297	12.8
191.02092	11.4
196.11142	6.3
202.01311	7.1
202.99770	19.2
203.01823	7.0
204.02950	81.0
208.02495	13.0
209.11803	14.6
227.03621	9.5
230.00854	35.2
243.03067	10.6
248.01996	7.6
250.05305	9.1
265.84747	6.1
271.02545	23.9
286.03867	7.8
294.04181	7.4
299.02081	14.8
300.02881	7.8
301.03680	12.8
313.03372	15.1
322.03696	15.3
339.03708	11.2
340.00836	18.0
340.04602	48.7
357.04907	34.4
358.05621	22.2
374.17303	8.1
397.07678	14.7
397.13913	7.3
426.10437	94.5
452.08319	85.2
520.11127	7.7
521.08972	7.8
544.10999	21.5
562.12115	100.0
605.24542	30.5
606.24933	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73572	0.3
57.03321	0.4
59.01248	1.8
61.98706	100.0
70.87519	0.6
70.87919	0.5
71.01256	2.2
78.95776	10.0
78.98476	1.0
79.95609	3.4
80.96394	14.2
83.02175	0.3
85.02831	0.7
87.00751	0.9
89.02328	0.3
92.41487	0.3
94.97958	3.1
96.62744	0.3
96.95903	0.4
96.96845	1.6
101.02312	0.7
106.97995	1.0
108.02056	0.6
109.02911	0.4
111.08029	1.6
113.02359	0.3
113.09576	0.3
119.59790	0.3
122.97498	0.8
125.02384	0.7
134.97504	1.1
145.64305	0.3
145.98038	0.3
148.99042	1.1
152.01099	0.4
152.98521	0.6
152.99512	12.3
164.98555	2.1
167.10750	0.5
171.00568	0.4
179.10735	0.5
181.08687	0.7
195.13887	1.3
206.99728	0.5
209.11871	1.1
211.13313	1.4
223.00134	1.2
225.00713	2.9
239.09549	0.3
241.01196	3.9
247.20752	0.5
253.09172	0.3
291.19672	8.9
299.04507	0.7
307.19174	0.5
315.04742	2.6
329.01303	0.3
333.05908	0.4
545.22754	0.3
575.26703	0.3
607.24646	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.0746
Annotation	uridine diphosphate N-acetylgalactosamine
Peak:m/z	Relative Intensity
53.88302	0.9
54.30424	0.9
70.88812	2.1
78.95780	100.0
96.96841	14.8
102.41094	0.8
111.01890	8.4
119.37222	0.9
119.98512	1.1
147.84218	1.1
158.92455	39.7
174.98036	2.1
176.93521	5.9
264.02722	1.0
272.95737	10.2
282.03888	13.1
300.04889	2.7
305.01642	1.4
323.02811	4.0
362.00400	5.2
384.98453	19.6
402.99637	5.3
606.07458	29.6
607.07867	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	32.2
69.35122	19.7
69.35555	12.9
71.01264	13.2
72.42611	3.3
82.12100	3.8
85.02816	4.2
89.02326	13.8
97.02860	10.9
97.06439	5.3
101.02342	10.4
113.02339	10.4
121.98291	3.9
134.92781	4.3
165.12782	4.8
171.10201	7.4
209.11818	3.8
225.89476	3.6
227.12985	5.5
234.22932	3.3
247.20708	4.6
247.92723	3.2
248.91060	3.5
253.09329	40.3
264.85840	4.0
270.88361	3.3
282.34906	3.6
291.19717	54.3
309.20706	100.0
310.21268	8.8
613.13794	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	605.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04438	5.0
59.01254	35.4
62.55411	4.8
71.01262	12.5
85.02801	5.6
89.02325	15.0
93.02812	5.3
101.02313	15.9
146.46265	5.0
188.89050	5.3
214.38293	5.4
253.09267	45.8
275.33899	5.5
291.19598	38.4
303.31873	6.9
309.20782	100.0
310.20956	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	605.241
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49122	1.1
121.61873	0.6
154.29594	0.6
286.96216	0.7
311.58194	0.7
415.15292	0.8
428.16418	0.7
430.17990	2.1
443.18661	1.6
444.19565	1.1
457.20267	2.3
459.18433	2.2
461.23273	1.1
471.17999	2.0
472.18814	1.0
473.19611	4.9
474.20065	1.1
475.21320	0.8
485.19165	2.0
486.20728	3.1
487.21320	1.9
499.17789	2.3
501.22635	2.7
511.21448	2.3
513.19147	2.0
514.20093	9.1
515.20331	1.3
518.19452	1.6
529.22437	100.0
530.22736	17.7
532.21185	2.0
533.21710	2.0
561.25134	1.1
573.21466	1.0
605.23987	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	605.2413
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.80017	0.3
59.01254	0.4
69.28036	4.0
73.99121	0.3
79.98003	0.3
99.78059	0.3
106.06475	0.4
133.74744	0.3
138.42094	0.3
155.79922	0.3
183.22478	0.3
209.87492	0.3
261.68408	0.4
302.98163	0.3
354.16016	0.3
375.17050	0.3
394.11703	0.5
415.15591	0.9
416.16388	0.5
424.16580	0.4
428.16586	0.5
429.17145	0.8
430.17923	1.6
431.18988	0.4
443.18756	0.7
444.18442	0.4
457.20355	1.5
458.21420	0.6
459.17841	3.4
460.18161	0.5
468.19562	0.4
469.20258	0.5
470.21082	1.3
471.18143	2.5
472.18970	1.1
473.19705	5.3
474.20355	1.1
475.21265	0.7
485.19672	1.9
485.24881	0.6
486.20786	4.8
487.21167	1.5
496.19238	1.2
499.17648	2.5
500.18219	0.5
501.22781	3.0
502.20236	0.7
511.21411	2.6
513.19403	3.2
514.20068	10.0
515.20251	1.9
517.18768	0.8
518.19617	2.3
528.21442	0.8
529.22485	100.0
530.22839	17.5
530.30988	0.5
532.21222	1.8
533.21893	1.9
561.24524	0.5
573.21155	0.9
605.24524	1.3
605.75220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98955	2.9
57.03327	5.8
59.01252	100.0
61.98717	3.9
62.26088	2.5
69.31739	29.1
70.42127	2.8
71.01261	46.5
72.99180	9.3
73.02808	15.5
75.00750	11.6
78.95744	3.4
83.01263	9.1
83.02373	3.7
84.74665	2.7
85.02829	29.8
87.00749	5.2
87.04395	3.8
87.62800	2.6
89.02323	16.2
89.96466	2.6
97.02847	5.5
98.20493	6.8
99.00735	6.0
101.02327	23.4
113.02338	22.8
115.00246	5.1
119.04910	3.3
122.94726	2.9
125.02366	7.3
128.03412	3.2
130.51251	3.0
134.03618	4.1
143.03398	6.7
157.12386	3.2
160.01628	4.5
160.72751	3.4
161.04515	6.7
175.03976	3.7
181.12184	7.5
193.05000	5.6
220.03835	3.3
231.11301	4.6
235.05981	4.7
245.53763	2.7
249.06070	3.7
251.76212	2.9
262.14240	3.1
267.07193	6.8
271.02475	3.4
301.03229	3.5
357.26495	6.7
375.08142	3.7
450.44003	3.4
501.30713	75.3
502.31046	10.6
515.27759	4.0
519.31952	23.6
545.29688	7.9
546.29462	3.6
563.30627	8.7
605.32318	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	604.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	3.2
68.01271	2.5
69.03328	3.8
69.34975	18.7
85.02830	45.0
85.17419	2.2
86.05994	2.8
87.04386	7.3
96.04432	100.0
97.02837	5.1
97.04765	2.7
105.06551	2.6
111.04408	3.0
112.04053	2.4
113.02338	3.5
115.03896	4.7
118.98618	2.1
128.03439	9.2
129.01848	11.0
141.01877	4.7
141.82591	2.3
142.01360	13.5
157.91893	2.0
158.04514	27.9
159.02890	2.9
159.05002	2.5
161.06053	2.2
172.02431	3.9
173.51152	2.8
177.02551	3.0
177.68520	2.4
187.22856	2.5
202.03569	17.1
219.05066	2.9
220.59709	2.3
262.05698	41.7
263.05994	3.1
346.05814	2.8
445.52042	2.5
605.19897	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	604.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01015	1.2
59.01253	12.2
61.37730	1.0
61.98692	1.9
71.01247	9.2
72.99162	1.4
73.02807	3.1
75.00733	3.1
78.95775	1.6
79.31806	1.1
85.02821	4.0
87.00744	2.3
87.50965	1.2
89.02313	3.3
91.01770	2.8
93.03337	2.3
96.95874	1.5
99.00738	2.3
101.02322	5.3
113.02307	3.6
114.05480	1.6
116.04873	1.4
117.03335	1.5
119.01285	6.6
119.03429	1.3
119.04897	7.7
120.05238	1.4
121.02829	5.3
125.02358	2.0
134.03636	100.0
135.04457	23.6
145.02834	1.4
147.00836	5.4
147.04370	2.5
148.05177	2.1
149.01224	2.1
149.02353	24.9
149.05989	82.4
150.03040	4.1
150.06276	3.5
152.01006	2.9
160.01680	2.4
161.02391	1.6
163.03896	4.7
164.04721	16.2
165.01794	2.0
167.03328	1.3
175.00302	40.2
175.03896	3.3
176.01035	6.9
177.01793	1.1
179.07022	3.4
180.06544	3.4
184.12086	1.2
189.01939	1.1
190.02647	93.6
191.03311	10.9
194.02100	2.2
203.05795	7.7
204.06378	1.8
205.05011	90.9
206.05321	6.0
208.03629	3.7
209.04359	2.8
218.08142	3.2
220.06041	2.4
223.06091	34.4
224.06409	2.4
229.73659	1.3
236.09238	3.5
237.07808	1.4
257.13947	1.7
265.07062	2.0
380.13553	11.4
381.13684	1.5
388.14148	1.1
398.14594	17.1
399.14841	2.1
454.13535	30.1
455.13846	2.0
603.75018	1.3
604.20325	58.1
605.20612	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45399	2.3
57.03318	4.5
59.01252	51.9
71.01258	22.4
78.95783	2.6
81.03297	4.2
83.01257	4.7
85.02836	5.3
87.00793	2.8
89.02314	11.7
95.01243	2.6
96.95881	4.2
97.02829	4.3
97.06450	5.4
98.00233	2.6
101.02335	14.9
113.02314	9.1
123.04460	2.7
125.09630	7.8
137.09625	4.8
161.04451	5.2
163.11188	7.1
165.12778	3.0
171.10155	10.1
179.05519	2.9
185.11745	9.2
191.14311	8.1
207.10197	3.7
209.11780	21.2
211.13307	5.3
213.14807	3.6
225.11247	3.0
245.19070	17.2
246.19502	2.6
249.13785	2.2
253.09276	45.4
254.09630	2.8
263.20172	3.3
271.16953	3.5
271.85382	2.3
280.89786	2.5
289.18130	100.0
290.18497	9.9
307.19168	99.6
308.19458	11.1
473.67465	2.6
505.09076	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.3
57.03313	4.0
59.00950	2.6
59.01252	53.0
63.59380	1.3
69.03314	1.4
71.01254	14.7
71.35143	2.8
72.99165	2.6
73.02809	2.5
75.00751	6.8
81.03316	3.2
83.01265	4.8
85.02842	6.2
87.00735	2.0
89.02310	11.9
90.01992	1.2
95.01266	1.7
97.02818	3.1
97.06467	5.3
101.02328	13.6
110.03654	1.5
113.02329	8.5
119.03413	2.5
123.04382	4.4
123.08031	1.8
125.09605	6.9
135.08052	1.4
137.09581	3.7
141.12799	1.8
161.04431	6.5
161.09503	1.7
163.07506	1.5
163.11195	9.8
165.01895	1.5
165.12698	2.4
171.10121	5.1
175.11282	1.3
179.05539	2.3
179.10634	1.7
181.12158	1.9
185.11755	8.5
191.14386	9.5
207.10226	4.7
209.11752	24.8
211.13383	3.8
213.15060	1.3
223.55321	1.2
225.11324	3.3
237.11249	7.6
245.19064	18.3
246.19331	1.7
246.73451	1.7
253.09270	41.3
254.09511	2.0
263.20142	4.8
271.17111	1.9
274.54752	1.2
289.18106	100.0
290.18405	9.2
292.42752	1.5
307.19150	85.1
308.19482	9.7
416.37708	1.4
459.22159	1.4
543.28210	2.2
603.29260	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	603.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64064	3.3
56.59516	3.2
57.03324	5.0
59.01258	66.3
61.98695	7.9
62.64230	2.7
71.01256	22.9
72.99181	4.8
75.00758	3.6
78.95795	5.4
85.02840	12.0
87.00769	6.7
89.02315	17.9
97.02834	4.9
101.02334	15.2
109.02814	4.9
113.02318	15.7
119.03410	5.4
123.08120	3.9
125.02312	4.6
125.09614	4.4
128.03456	4.7
137.09674	3.8
139.48476	3.1
152.99460	5.0
161.04489	7.1
163.11218	9.7
171.10147	16.2
172.10435	4.1
185.11768	7.9
191.14407	7.4
207.10193	3.7
209.11830	22.5
211.13347	11.6
212.13826	4.1
213.14894	4.1
225.11250	4.8
229.74309	4.5
245.19057	14.2
253.09280	49.1
263.29999	3.0
270.43430	2.9
275.15115	3.3
289.18121	100.0
290.18427	8.9
307.19180	86.8
308.19495	10.3
405.94302	4.0
494.99557	3.5
535.96332	3.7
603.30811	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	4.7
58.00476	2.8
59.01254	80.8
61.98705	3.0
64.54721	2.8
64.64799	3.1
71.00917	3.5
71.01260	20.4
71.57722	4.0
73.02781	4.1
78.95790	4.5
83.04887	4.3
85.02849	8.0
85.05698	3.0
89.02326	17.1
97.06488	8.3
98.87260	2.6
101.02322	19.2
111.08080	3.5
113.02338	8.7
119.03408	2.9
151.11191	11.0
155.10741	3.6
161.04576	5.5
163.11221	3.6
165.12787	18.7
171.10188	15.5
172.10542	7.5
173.10849	2.9
173.82095	2.7
179.10660	6.2
181.12183	14.0
183.13879	4.6
183.54283	3.1
191.10730	6.7
191.14423	3.4
209.11787	48.5
211.13330	12.8
212.13736	7.1
227.12903	19.1
230.82912	2.9
235.08005	4.1
245.19044	10.5
253.09267	45.9
263.20184	21.2
264.95181	3.1
279.19583	4.6
289.18094	24.9
293.21307	19.4
300.95782	2.9
302.22437	3.3
307.19153	100.0
308.19479	8.5
309.43997	3.0
356.40195	3.0
382.09253	3.1
405.49222	3.3
445.20724	18.9
460.19843	3.5
543.28229	12.1
576.63043	3.0
603.30402	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	603.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92627	0.5
55.01757	1.7
57.03325	2.4
58.00481	2.4
59.01254	100.0
61.98711	1.1
69.03336	0.8
69.24139	6.0
71.01257	57.4
72.01595	0.8
72.99171	3.7
73.02823	15.9
75.00761	2.0
78.95801	0.6
83.01264	5.7
83.02444	0.4
84.02047	0.5
85.02827	15.6
87.00750	4.8
87.45222	0.5
89.02319	45.4
89.93913	0.4
90.02664	0.6
95.01283	4.5
97.02846	1.3
99.00729	2.7
99.04421	0.6
101.02328	35.5
102.02689	0.9
104.82612	0.4
111.00786	0.8
113.02335	38.5
114.02699	0.9
115.03960	0.6
116.92713	0.4
119.03394	19.2
124.01540	0.9
125.02352	2.0
128.03474	0.5
131.00078	0.5
131.03407	3.0
134.03685	0.7
143.03410	5.8
149.04446	2.7
160.01602	0.8
161.04475	9.1
175.03973	1.2
179.05550	10.7
193.05038	0.6
203.05428	0.6
211.13275	0.5
300.02551	0.8
306.07605	0.5
339.14423	0.5
399.23999	0.8
543.28180	10.5
544.28748	1.7
561.29224	10.0
562.29718	1.4
575.44891	0.5
603.30896	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.2
59.01249	55.2
61.60461	2.0
61.98700	2.8
71.01263	19.0
71.04881	2.5
72.99198	2.7
73.02822	3.2
85.02827	3.5
89.02325	8.4
97.06497	4.3
101.02348	13.6
113.02335	9.1
119.03381	3.1
121.02853	5.2
125.02387	2.0
125.09628	8.2
136.83780	2.6
137.09653	3.0
151.11194	2.9
161.04491	6.4
163.11186	7.6
169.12204	8.8
171.10196	10.4
181.12347	2.2
185.11780	7.6
191.14322	8.6
207.10214	5.0
209.11778	18.3
245.19151	20.2
253.09315	44.4
263.19852	2.4
271.17181	2.7
289.18112	100.0
290.18417	8.0
304.86938	2.7
307.19147	77.8
308.19498	6.1
314.85162	2.3
461.41553	2.6
503.48767	2.3
564.51874	2.5
603.30579	10.8
604.29749	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	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88583	0.5
55.01757	2.6
57.03326	3.3
58.00463	2.7
59.01252	100.0
60.01599	0.7
69.03320	1.3
69.50674	3.2
69.51099	1.1
71.01255	56.7
72.01585	0.8
72.99193	3.4
73.02823	12.8
75.00754	1.9
78.95780	0.6
82.95290	0.8
83.01259	6.1
85.02825	23.1
85.99990	0.6
86.03155	0.8
87.00763	4.4
89.02320	30.0
94.67474	0.6
95.01270	5.7
97.02849	2.4
98.19754	0.6
99.00760	4.9
101.02325	31.5
109.02769	0.6
111.00790	1.7
112.01611	0.9
113.02335	31.4
114.02636	0.6
115.00283	0.5
115.03937	0.6
119.03397	12.0
124.01569	1.8
125.02328	4.1
128.03419	0.7
129.01817	1.8
131.03413	1.9
143.03400	6.5
149.04472	1.5
151.03888	0.6
159.02957	1.8
160.91489	0.6
161.04471	9.8
161.05818	0.6
163.03938	0.7
179.03403	0.6
179.05562	4.3
192.59349	0.5
215.18143	0.7
249.06136	1.2
282.01144	0.5
381.22852	3.1
399.23950	7.8
400.24509	0.7
469.24609	0.6
507.26437	1.0
513.27454	0.9
543.19513	1.2
543.21777	0.7
543.28131	47.9
544.28339	7.5
561.29144	53.3
562.29541	7.7
566.23016	0.6
603.30725	5.2
604.30420	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.5
56.93257	0.6
57.03321	2.4
58.00465	2.5
59.01254	49.6
69.03330	2.8
69.85186	4.1
71.01255	57.2
72.01593	0.9
72.99180	3.3
73.02821	10.8
75.00740	2.2
78.95781	2.1
83.01265	12.5
83.04865	0.7
85.02827	16.7
87.00755	63.2
88.01097	0.9
89.02320	44.4
95.01270	5.5
97.02824	2.7
98.19810	0.8
99.00761	2.5
101.02325	30.9
111.00751	0.7
113.02335	37.8
115.03911	1.8
119.03394	12.6
125.02323	3.3
125.05947	1.2
125.09550	0.7
129.01831	2.4
131.03415	3.4
139.07509	1.2
141.01828	5.3
143.03413	9.8
149.04440	1.1
152.99469	2.1
159.02890	1.3
161.04468	14.9
171.10182	2.2
179.05551	19.7
180.05872	0.7
211.13371	0.8
263.23825	1.2
273.22134	3.9
277.21725	100.0
278.22067	7.6
284.61594	0.7
291.19998	1.5
291.23315	26.7
292.23697	2.3
301.21692	3.5
319.22742	9.5
320.23148	1.0
323.09811	14.6
324.09952	0.9
331.23035	1.0
341.10883	53.0
342.11319	2.4
349.23688	1.1
476.39474	0.7
601.31573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74809	0.6
55.01752	1.1
57.03331	2.0
58.00455	1.7
59.01254	69.6
60.01574	0.9
61.81203	0.7
69.55359	5.1
71.01256	25.8
72.99181	1.4
73.02816	3.7
75.00745	0.8
81.49132	0.8
83.01270	3.4
85.02828	9.9
87.00744	1.4
87.20470	0.7
89.02321	17.0
95.01263	2.0
99.00745	1.8
101.02325	16.7
107.74030	0.6
113.02335	9.7
115.07531	3.7
119.03396	6.3
127.11167	0.8
140.10645	0.7
143.03403	1.1
149.04494	1.0
156.10219	3.2
158.11757	6.9
161.04454	2.7
165.12755	2.1
171.10201	8.6
172.10500	3.7
178.70937	0.6
179.05527	2.2
183.13860	4.4
185.11710	1.8
190.65657	0.6
209.11780	1.2
211.13333	7.0
212.13629	4.0
213.18817	0.7
214.57362	0.7
218.08949	0.6
219.17720	1.6
226.17873	0.7
228.16028	1.0
237.18628	1.1
237.22183	2.8
253.09399	1.0
320.17169	4.9
362.26678	0.8
422.29102	0.8
443.69049	0.7
486.26709	0.9
504.28336	2.0
542.33252	0.9
584.34320	6.4
602.35486	100.0
603.36005	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	601.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39783	0.4
55.01756	2.2
57.03328	6.6
58.00468	0.6
59.01256	43.8
67.01778	0.8
68.08146	0.4
68.99683	1.0
69.03326	1.3
69.34216	4.1
71.01260	30.3
72.99188	7.5
73.02832	5.1
74.54613	0.4
75.00755	39.8
81.03329	0.5
83.01270	3.4
84.02047	0.7
85.02834	42.4
86.03163	0.9
87.00761	10.5
89.02328	3.8
95.01270	5.4
97.02827	2.2
99.00768	15.5
99.04406	0.7
101.02326	6.2
103.00253	1.9
110.65511	0.4
111.00755	2.1
111.04368	0.5
112.01564	0.6
113.02342	44.5
114.02650	0.8
115.00258	3.8
116.01024	0.8
117.01831	2.4
120.84794	0.4
125.02285	1.0
127.03931	0.5
129.01834	1.9
143.03447	0.5
143.09944	0.5
157.01390	2.1
161.04518	2.0
171.10184	7.0
175.00993	0.6
175.02415	6.9
201.03944	1.0
211.13370	6.3
377.07260	3.4
383.24429	1.5
395.08429	0.5
480.78632	0.5
497.27310	2.7
541.26184	0.6
555.62445	0.4
583.27826	0.8
601.28711	100.0
602.29059	14.5
603.22729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	6.7
59.01254	54.6
61.98690	3.2
63.63676	1.7
66.17860	1.5
67.05405	5.4
69.03324	8.6
71.01256	9.4
71.04896	1.9
72.99167	1.9
73.02819	3.2
74.02338	3.9
78.95790	3.7
81.03338	4.4
85.02844	5.0
89.02328	3.2
99.00783	2.4
101.02328	6.3
111.04411	3.3
113.02371	4.0
119.08474	1.8
122.47027	1.7
125.02312	2.6
125.09630	15.4
128.02020	2.0
128.03406	5.1
143.04556	9.0
151.07547	7.5
152.99493	5.4
155.39088	1.8
160.00645	3.0
164.64359	1.9
169.07265	1.7
169.08621	56.1
171.10172	6.2
181.08640	100.0
182.09009	4.9
199.09648	2.6
201.11143	4.7
209.11739	3.9
210.08714	2.2
211.13403	2.2
231.77408	2.0
249.19099	1.9
272.08939	5.0
306.07629	6.1
307.07962	5.5
331.17447	4.5
410.46011	1.9
589.21747	1.9
599.27869	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	601.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71650	0.9
55.01760	2.9
57.03328	6.2
58.00449	1.0
59.01258	62.8
68.99689	1.8
69.03317	1.7
69.34069	2.5
69.34486	7.2
71.01262	38.9
72.01603	1.1
72.99181	10.2
73.02819	4.3
75.00754	49.4
78.95760	2.1
81.03359	1.0
83.01270	5.8
83.04895	1.5
85.02834	43.2
86.03195	1.2
87.00745	13.0
87.19791	1.0
89.02325	6.4
95.01261	8.9
95.52526	1.0
97.02837	2.8
97.35400	0.9
99.00771	21.4
101.02341	6.2
103.00266	2.4
110.50757	0.9
111.00786	5.9
112.01568	1.1
113.02344	49.9
115.00254	3.9
117.01808	2.6
129.01794	2.7
129.92645	1.0
141.01828	2.9
157.01372	6.3
161.04492	2.0
171.10208	27.5
175.02455	9.1
183.13901	2.2
209.11731	1.3
211.13371	24.1
212.13715	1.2
235.08174	1.3
253.09242	2.2
335.06268	1.5
377.07321	2.6
383.24634	1.3
497.27716	3.4
527.76630	1.0
541.26654	10.9
542.26593	2.6
559.27502	15.4
601.28687	100.0
602.29089	15.9
606.98450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.9
61.98705	1.5
65.00198	2.2
66.85239	0.5
68.31268	0.6
69.55197	5.5
71.01254	4.4
71.37801	0.6
72.99172	1.2
73.02839	1.5
75.00760	1.6
83.01312	0.8
85.02851	1.3
87.00756	0.8
89.00224	2.6
89.02323	1.2
93.03307	1.3
96.95973	0.7
97.06525	0.7
98.19849	1.4
99.00782	0.9
101.02325	2.7
108.02061	2.7
109.01031	0.6
109.02849	5.8
111.00782	1.2
119.03455	0.7
121.02856	5.2
125.36061	0.6
138.01880	15.6
139.00247	4.3
140.47684	0.6
145.02957	1.2
147.00749	0.7
148.85394	0.7
149.02380	0.8
151.00275	2.3
153.01816	1.2
161.02310	0.7
163.00266	1.6
168.17528	0.7
171.10234	5.2
173.02364	0.8
174.01624	0.9
175.03824	0.8
177.01851	1.2
178.99959	0.6
181.08684	1.0
183.04501	0.8
185.11774	5.9
199.03922	1.3
201.01878	1.7
201.11259	1.6
209.11800	3.8
211.13390	0.8
214.02626	1.2
215.03375	1.1
217.01364	1.8
226.02737	0.9
227.03435	2.7
229.01398	2.0
230.02101	1.4
231.02939	0.9
233.05981	0.7
241.01422	0.9
242.02153	2.2
243.02890	3.1
254.02101	1.0
255.03040	4.2
256.03577	0.7
257.00995	1.8
258.01645	1.4
265.04980	1.0
269.04419	0.7
270.01740	1.0
270.64545	0.7
271.02481	19.2
272.02902	1.6
273.00333	1.0
277.05014	1.3
281.04605	1.0
285.00552	0.9
285.03821	1.2
287.02066	1.6
287.05283	0.8
288.02725	1.4
289.03531	1.8
292.03748	1.1
293.04587	2.0
295.02448	1.1
295.94565	0.7
299.01935	12.1
300.02615	4.0
301.03503	2.1
303.05106	16.4
304.05734	1.3
305.04602	2.6
309.04062	1.7
315.05151	1.1
321.03937	2.1
322.04745	1.2
332.03104	0.8
333.03958	1.7
337.03485	1.9
338.04565	1.0
349.03503	2.8
350.04117	1.4
359.02240	0.7
361.03461	1.6
365.02994	3.4
366.03812	2.4
367.04602	0.8
376.02295	1.2
377.02829	5.5
378.03616	2.0
381.06210	2.3
382.06940	1.6
391.04791	1.2
392.05338	3.0
393.01865	4.3
393.06274	2.5
394.03015	4.4
395.03558	1.0
395.08023	1.4
405.02548	1.3
407.07782	11.2
408.04767	2.4
409.05591	8.2
410.06335	2.8
422.02777	1.8
423.07431	14.9
424.08102	3.3
425.08676	2.4
432.11615	1.1
435.07111	0.7
437.05121	14.2
438.05896	9.5
439.06085	1.6
452.07492	91.8
453.08224	100.0
454.08691	11.2
599.14081	69.1
600.14417	9.9
600.23218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2358
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
55.16441	0.8
57.03285	0.6
57.06685	0.7
59.01254	8.8
61.98690	2.1
64.80157	0.6
69.77032	1.8
69.77440	2.7
71.01257	3.2
73.02821	0.9
73.25674	0.7
75.00743	1.6
78.86190	0.6
78.95795	1.0
80.04929	2.2
83.04914	0.8
85.02808	1.3
87.00759	1.0
89.02287	1.0
94.80613	0.7
101.02325	2.3
102.07454	0.7
106.06505	14.8
108.04440	11.4
108.08100	1.1
113.02341	1.8
118.06503	0.8
119.04919	1.5
122.06018	1.0
124.07574	4.3
132.04457	1.3
132.08076	0.8
134.06023	5.8
136.06551	1.1
136.07585	19.2
145.02789	0.8
149.02344	2.9
150.05516	5.7
151.00290	0.9
152.07053	2.3
160.03960	14.2
161.04445	0.8
162.05484	2.0
164.04803	0.8
165.05481	1.4
168.06610	1.2
176.07077	2.0
178.05026	2.8
179.10704	0.7
199.09709	0.8
209.11760	3.9
211.08656	1.7
212.07201	0.7
214.12270	0.9
227.11700	1.7
238.11115	1.0
239.08072	1.4
239.11884	1.8
241.09805	5.5
252.08867	0.8
253.09871	4.6
253.13445	1.4
255.11479	3.7
257.12933	46.5
258.13239	3.4
267.11282	2.3
269.12921	4.4
277.09894	1.5
295.10849	5.8
299.10257	1.1
300.02609	1.2
301.03668	0.9
301.12155	1.3
311.10269	1.1
313.11966	12.3
326.11734	1.5
339.09018	0.8
357.13684	1.4
364.16632	1.5
369.13443	2.1
390.18185	2.2
392.19788	3.5
418.21463	1.2
436.18771	41.9
437.19101	5.8
462.20239	3.3
489.14890	0.8
525.21545	1.0
535.19751	8.4
536.19806	1.7
553.24774	1.6
561.15564	0.9
579.22882	2.3
580.22638	1.0
597.23553	100.0
598.23846	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	597.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42214	1.0
56.51157	0.9
59.01253	74.3
59.84412	1.2
69.38338	6.8
69.38774	4.2
71.01250	7.3
72.99187	2.1
73.02837	2.0
74.33215	1.2
75.00732	1.3
85.02830	3.1
87.00728	2.6
88.98695	2.3
89.02323	3.4
93.03344	1.8
96.95892	1.2
99.00779	1.6
101.02341	2.6
113.02336	2.9
118.35193	1.1
119.03427	1.7
121.02821	2.0
122.03609	6.5
124.66068	1.2
127.08619	1.1
146.03641	10.9
149.02390	19.5
150.03156	67.4
151.00298	2.1
151.03459	2.7
152.00862	1.3
161.06017	4.1
164.04709	11.3
165.05502	90.0
166.02682	3.6
166.05853	3.6
179.03471	1.9
179.07082	29.0
180.04190	6.3
180.07462	1.2
181.05003	5.9
191.05400	1.3
195.06581	100.0
196.06932	4.6
199.09735	1.8
245.25999	1.2
265.05505	1.2
312.10077	4.2
327.12341	11.3
369.09698	1.2
375.14536	11.6
376.14700	1.6
387.10605	1.5
388.81030	1.1
399.14484	3.9
417.15506	2.0
579.21533	1.3
597.23120	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	8.9
61.37639	1.8
69.03329	2.6
69.96985	5.7
69.97396	4.4
71.01257	16.3
72.56524	1.9
72.99199	2.7
73.02821	5.3
81.03336	2.7
81.91029	1.8
83.01279	2.4
85.02828	11.7
87.00759	27.9
89.02341	2.8
93.03341	21.6
95.01256	2.9
96.95903	4.0
99.00786	5.0
99.52531	1.9
100.01561	3.6
101.02353	8.6
108.02053	65.9
109.02861	27.6
111.00769	15.9
112.89043	2.0
112.98680	4.4
113.02336	7.2
120.01157	4.3
121.02865	5.7
122.03626	12.1
123.00780	8.5
123.04375	3.2
131.03381	2.2
133.02879	2.7
135.04466	2.3
136.01546	3.8
137.02345	35.5
142.99785	3.9
149.02339	27.9
150.03143	84.2
151.00258	3.1
151.03661	6.0
152.01057	83.0
153.01855	24.7
161.02345	3.8
162.03157	2.4
163.03903	4.2
164.04716	12.3
165.05489	100.0
166.02641	6.4
166.05814	5.2
167.03442	2.8
173.00856	7.4
174.01642	4.0
175.03902	3.1
176.04713	5.3
179.03452	3.8
179.06975	8.8
180.04240	7.2
181.04964	8.3
191.03461	4.7
191.07100	4.2
194.05803	7.1
195.06566	51.5
196.06821	2.8
203.03461	2.7
205.05002	3.6
206.05710	3.4
209.08142	8.3
219.02917	2.3
221.08133	6.8
234.05318	3.1
247.02466	2.6
249.07629	4.7
261.03906	4.1
262.04800	5.8
263.05579	2.4
264.06326	5.2
265.07117	6.0
265.89569	1.9
274.37091	1.9
276.06320	2.9
277.07104	10.8
281.06677	16.5
315.07300	10.0
321.09955	2.1
322.06876	1.9
327.12439	1.9
337.09286	32.0
338.09515	2.1
361.57529	1.8
369.13345	9.6
387.14352	1.9
391.10568	3.0
413.12457	4.5
435.09271	71.3
436.09692	9.2
443.13531	3.0
461.14651	31.8
462.14893	3.4
473.14224	2.7
477.10358	2.1
491.16321	2.2
533.16797	7.5
579.16827	9.9
597.16235	63.3
598.17743	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	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59733	1.0
53.74311	0.8
55.58129	0.9
57.03337	1.6
59.01247	4.0
62.33261	0.8
69.03313	1.6
69.19944	0.8
69.42257	5.2
69.42684	2.6
70.63531	1.0
71.01252	3.7
73.02840	1.0
81.03336	12.2
83.01257	8.5
83.04920	1.0
85.02841	2.9
93.03336	7.3
95.01254	2.1
95.04903	8.0
97.02821	5.6
98.19826	1.5
99.00747	1.3
99.04399	2.9
107.04903	2.8
108.02047	1.5
109.02848	4.1
109.06506	1.0
111.04387	3.0
113.02322	3.1
119.04925	12.1
119.44897	0.8
121.02836	3.6
121.06493	1.6
122.03703	1.3
123.00755	1.1
123.04411	20.5
124.30952	0.9
125.02338	16.2
125.05930	1.0
133.01312	2.6
135.04411	7.1
137.02377	7.4
137.05991	9.0
139.03926	11.5
147.04372	5.0
149.02365	2.3
149.05971	2.5
150.43500	0.9
151.03929	3.7
151.07597	1.2
153.05472	2.2
155.03424	1.3
156.10712	0.9
161.05994	2.4
163.03897	4.0
163.07552	1.4
164.04701	1.7
165.01811	3.6
165.05481	8.8
166.02614	1.8
167.03419	36.3
168.03741	1.7
173.48082	1.0
175.03923	1.6
177.05556	2.6
179.02013	1.4
179.03445	11.8
179.07068	1.7
181.04996	3.4
189.05504	10.2
191.03410	3.9
191.06970	1.5
193.04999	4.9
197.04529	6.8
201.05460	1.4
205.01366	1.5
205.04967	1.0
207.06560	2.3
209.04514	38.6
210.04837	2.0
219.03029	1.4
220.03610	1.2
221.04510	8.1
223.06100	1.6
229.08614	2.0
231.06648	1.0
233.04500	1.9
235.05766	1.0
239.05617	15.2
251.05577	6.1
263.05496	1.8
269.06744	2.8
271.02536	1.0
273.07712	5.3
275.05515	1.4
281.06534	1.5
285.07654	2.0
293.06589	1.4
300.02365	0.9
301.03470	0.9
307.18173	0.8
311.08359	0.9
315.08752	22.9
316.08994	1.7
327.08765	10.8
328.09180	1.1
329.10303	1.1
339.08884	1.0
341.10141	1.1
345.09818	7.5
355.08139	1.0
356.10138	1.0
357.09793	100.0
358.10046	9.5
369.09671	4.4
383.10861	1.0
387.10864	82.5
388.11176	8.5
399.10861	4.6
400.11340	1.0
417.11902	23.4
418.12277	2.3
429.12088	1.3
441.11932	1.4
451.48065	1.0
459.12708	8.6
460.13138	1.8
463.32104	1.0
477.14047	15.3
478.14319	3.2
489.13885	5.0
507.14987	2.4
579.17310	1.3
597.17963	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	597.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50766	1.2
55.01765	1.7
57.03317	1.8
59.01251	15.2
61.98696	2.0
67.01746	1.9
68.99664	3.3
69.03323	6.9
71.01254	30.7
72.99181	30.4
73.02807	3.8
73.58382	1.6
75.00745	12.1
75.48879	1.2
81.03325	3.5
83.01265	6.0
85.02835	15.4
87.00743	9.0
89.02296	1.8
93.03329	2.9
95.01261	15.1
97.02850	6.0
99.00760	67.6
100.01063	1.9
101.02329	2.8
105.51022	1.5
107.01261	12.6
108.02077	3.0
109.02837	5.7
109.82851	1.2
111.00764	5.1
113.01595	2.3
113.02328	20.7
114.02717	2.0
115.00213	2.4
117.01801	4.7
121.02831	3.5
123.00769	23.2
123.04449	2.5
124.01562	16.2
125.02340	93.0
126.02674	2.2
129.01814	1.3
133.02806	2.3
135.04390	3.5
136.01649	1.7
137.02353	13.6
139.00278	3.0
139.03937	1.6
145.02922	1.5
147.04344	1.5
149.02339	3.8
149.99500	27.0
150.03076	2.4
151.00281	46.0
151.03909	2.4
152.00925	4.5
153.01846	21.7
157.01317	5.7
161.02312	3.2
163.03844	4.5
164.01006	2.7
165.01843	22.5
166.02556	2.3
167.03424	8.2
168.00558	30.1
169.01341	17.1
175.02501	3.1
175.03909	2.4
177.01820	6.1
178.99773	2.3
179.03429	2.9
181.01324	3.1
181.08698	1.3
183.02855	8.4
189.01849	1.8
190.02547	1.5
191.03398	3.0
193.01323	3.7
193.03455	3.3
194.02167	1.9
195.02867	1.5
203.03174	1.3
205.01331	1.3
205.04993	1.4
207.02956	8.1
219.02922	2.7
230.84236	1.3
259.06052	11.3
285.00491	2.0
287.07617	4.9
300.87704	1.3
301.03387	2.1
313.05649	35.8
314.05838	1.6
331.06735	9.6
369.08200	1.7
373.07477	2.7
385.07434	1.7
421.11310	4.6
427.08768	6.0
431.10516	1.6
434.02618	2.3
445.09897	63.1
446.10281	5.3
471.07764	1.8
489.08878	100.0
490.09140	11.3
552.24420	1.9
553.24207	5.5
597.15112	31.2
597.29425	7.1
598.15125	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	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
70.89612	1.8
78.95777	68.0
96.96833	11.7
111.84275	0.8
152.99492	100.0
169.47334	0.8
171.00539	3.2
202.15544	0.8
223.00076	10.7
241.01144	27.0
259.02103	1.4
279.23288	71.1
280.23648	7.0
306.83423	0.9
315.04849	17.6
333.05893	1.5
421.33887	0.9
503.92850	0.8
595.28900	67.7
596.29138	10.6
598.24097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	27.5
60.06636	4.7
64.27788	4.8
69.41320	14.7
69.41738	40.9
71.01260	21.0
72.99175	7.9
73.02821	7.7
83.01266	6.3
85.02811	13.0
85.95428	5.1
87.00755	15.1
89.48275	6.2
89.95457	7.3
93.03350	33.0
93.03844	5.1
95.01304	6.8
96.95922	13.2
99.82856	6.0
101.02295	12.0
108.02055	73.0
109.02864	45.7
111.00776	13.7
117.20795	5.1
121.02824	9.2
122.03654	9.6
122.77053	5.3
137.02353	46.9
149.02362	32.3
150.03143	76.2
151.03848	5.8
152.01062	94.1
153.01816	30.1
164.04672	11.5
165.05487	90.0
166.02650	7.4
179.03452	6.3
179.07111	10.9
181.04979	11.3
195.06557	56.4
275.45499	4.9
277.07114	6.1
281.06561	21.4
315.07266	12.5
327.12326	13.9
337.09161	13.4
353.05148	6.0
435.09335	100.0
436.09927	12.8
461.14468	43.2
597.15118	87.3
598.16925	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	595.2893
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.39711	0.7
62.96293	0.6
64.84509	0.5
69.28859	7.4
78.95782	80.0
96.96844	16.0
98.20557	1.5
100.99176	0.6
132.57544	0.6
150.97981	0.9
152.99501	69.7
153.99905	1.3
171.00522	1.0
209.11731	0.8
212.22702	0.7
223.00142	2.2
241.01178	37.1
242.01505	1.1
258.78799	0.6
259.02301	1.1
279.23303	74.1
280.23602	7.1
291.24615	0.6
315.04880	11.5
318.68658	0.7
412.07446	0.7
415.22586	8.0
463.38879	0.7
595.28937	100.0
596.29260	18.3
609.05762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2797
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
50.95192	0.3
54.02656	0.4
57.03332	0.6
59.01258	5.3
61.98718	0.7
63.40821	0.4
63.96107	1.3
69.03326	0.8
69.25531	4.5
71.01261	9.8
73.02838	2.1
78.95798	0.4
78.98471	7.2
79.01351	0.4
79.95607	12.4
80.96395	76.3
81.03325	1.0
82.95984	2.0
85.02829	3.9
87.00758	2.4
89.02326	0.6
94.97971	17.2
96.95886	1.3
97.02860	2.1
98.19827	0.9
99.00794	0.9
101.02338	3.6
106.97983	3.4
113.02360	0.4
121.02841	1.6
122.03197	0.5
122.97466	6.0
125.02351	3.3
126.02657	0.4
127.03919	1.0
131.97807	0.4
134.97495	5.6
136.99049	1.2
146.97476	0.4
148.99052	6.1
152.98538	7.7
152.99677	0.6
164.98557	11.7
167.00131	0.8
171.10150	0.4
178.99905	0.7
182.99622	1.7
188.98540	0.7
195.13849	1.2
206.99666	3.5
207.10207	0.4
209.04463	0.5
209.11732	0.5
211.13377	1.2
225.00725	18.3
226.00938	1.0
243.01756	1.5
277.21765	0.7
295.22720	1.3
299.04510	3.1
377.23007	0.4
595.27881	100.0
596.18420	0.8
596.28143	16.6
614.32391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95192	0.3
54.02656	0.4
57.03332	0.6
59.01258	5.3
61.98718	0.7
63.40821	0.4
63.96107	1.3
69.03326	0.8
69.25531	4.5
71.01261	9.8
73.02838	2.1
78.95798	0.4
78.98471	7.2
79.01351	0.4
79.95607	12.4
80.96395	76.3
81.03325	1.0
82.95984	2.0
85.02829	3.9
87.00758	2.4
89.02326	0.6
94.97971	17.2
96.95886	1.3
97.02860	2.1
98.19827	0.9
99.00794	0.9
101.02338	3.6
106.97983	3.4
113.02360	0.4
121.02841	1.6
122.03197	0.5
122.97466	6.0
125.02351	3.3
126.02657	0.4
127.03919	1.0
131.97807	0.4
134.97495	5.6
136.99049	1.2
146.97476	0.4
148.99052	6.1
152.98538	7.7
152.99677	0.6
164.98557	11.7
167.00131	0.8
171.10150	0.4
178.99905	0.7
182.99622	1.7
188.98540	0.7
195.13849	1.2
206.99666	3.5
207.10207	0.4
209.04463	0.5
209.11732	0.5
211.13377	1.2
225.00725	18.3
226.00938	1.0
243.01756	1.5
277.21765	0.7
295.22720	1.3
299.04510	3.1
377.23007	0.4
595.27881	100.0
596.18420	0.8
596.28143	16.6
614.32391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46978	0.3
53.24669	0.3
55.01760	0.9
57.03334	2.2
58.00463	0.9
59.01255	17.4
64.77517	0.3
67.01762	0.5
68.99681	0.6
69.03323	0.5
70.50031	0.7
70.50434	0.6
71.01259	15.8
72.01566	0.5
72.99180	3.3
73.02815	2.2
75.00753	8.1
83.00702	0.3
83.01243	1.5
84.32285	0.3
85.02830	11.3
87.00755	3.2
89.02326	6.6
91.03878	0.4
93.03342	0.7
95.01260	3.4
97.63720	0.3
97.96123	0.3
99.00761	5.6
101.02333	5.2
103.00238	1.0
107.74674	0.3
111.00793	0.4
111.04352	0.4
113.02338	13.8
115.00275	0.8
117.01823	1.2
119.03394	1.3
121.10127	1.2
122.57149	0.3
129.01875	0.7
131.03397	0.4
139.11237	0.3
157.01311	0.7
161.04483	0.8
165.09143	0.4
167.10704	3.0
168.11089	0.3
175.02415	1.4
183.10275	0.4
205.07245	0.5
207.05235	0.3
221.83549	0.3
231.05009	0.8
249.06142	8.9
250.06184	0.3
251.15489	0.4
267.07233	3.0
345.15527	1.9
417.17551	2.3
577.21283	1.8
578.21698	0.6
595.22467	100.0
596.22729	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	595.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.3
55.27692	2.0
57.03312	7.2
57.38486	1.9
58.00471	2.4
59.01254	50.5
69.03312	2.1
69.36223	20.9
71.01257	61.2
72.99174	19.6
73.02466	2.8
73.02820	18.9
74.64200	2.1
75.00748	51.7
83.01273	10.2
85.02828	56.0
87.00763	16.6
89.02324	10.9
90.02041	2.0
93.03329	2.5
94.46465	2.6
95.01261	5.4
97.02831	6.6
99.00754	18.9
101.02332	17.3
103.00249	6.4
103.70560	2.0
111.00772	5.0
113.02334	54.7
115.00227	3.7
117.01849	2.8
125.02320	3.3
129.01811	3.1
131.03383	13.0
133.01205	2.0
136.34583	2.1
139.55539	2.2
151.00233	3.8
157.01320	4.4
164.17906	2.1
173.04482	7.8
175.02325	10.2
190.37242	2.0
191.05563	3.0
193.03467	56.6
197.11713	2.5
205.05025	3.7
235.04498	29.4
236.18018	2.6
272.03073	2.4
274.68927	2.3
313.72479	2.6
332.68118	2.5
345.19052	3.3
379.08835	14.7
397.09766	10.0
503.64093	2.4
551.23486	100.0
552.23755	16.1
577.43231	2.7
595.15393	3.5
595.26294	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	595.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07382	2.4
55.01757	4.2
57.03321	8.0
59.00962	4.0
59.01257	64.1
59.07694	2.4
61.98708	4.8
65.23858	2.4
69.03358	2.6
71.01257	68.1
71.57936	4.3
72.99186	15.3
73.02825	21.9
73.88618	2.7
75.00754	45.9
78.95770	3.4
81.03349	2.9
82.08686	2.9
83.01263	11.3
85.02829	54.0
87.00760	17.6
89.02325	13.8
93.03355	5.1
95.01266	7.9
96.95913	4.8
97.02849	6.1
99.00768	19.4
101.02316	20.8
103.00265	5.4
109.02827	9.9
113.02338	46.8
115.00295	4.6
117.01805	5.2
119.04919	6.7
121.02866	5.8
125.02331	2.8
129.01855	2.6
131.03391	7.1
134.03734	4.0
135.04373	4.0
136.01582	4.2
137.02382	27.3
139.03900	6.4
147.00826	3.3
147.04456	2.5
150.03053	3.8
151.00305	4.6
151.03912	6.0
152.01041	5.7
152.04741	2.8
157.01335	5.2
161.04427	3.3
163.03925	6.8
164.01073	3.7
164.04726	4.1
165.01897	15.9
165.05469	5.7
166.02660	3.1
167.03444	5.4
171.26511	2.6
173.04520	14.6
175.00363	4.1
175.02429	6.3
175.03937	7.9
178.99802	4.1
179.03401	21.3
180.04115	4.9
187.04008	4.6
190.02675	12.4
191.05547	6.3
193.03447	18.4
193.04968	6.4
194.05650	3.7
203.83847	2.4
205.05037	15.3
220.07474	3.3
223.05914	3.4
235.04543	9.3
243.61272	2.7
267.57697	2.9
312.76422	3.0
359.11230	3.2
379.08728	5.9
449.08939	3.2
551.23535	100.0
552.23773	16.6
565.20142	3.0
580.19312	9.2
595.21057	45.5
595.29547	17.0
596.22662	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	595.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54633	0.4
52.03144	0.5
55.01756	1.6
57.03323	3.2
58.00456	0.9
59.01252	25.1
60.01572	0.6
61.63158	0.4
62.07795	0.5
67.01748	0.7
68.99699	0.6
69.03297	1.3
71.01256	24.8
71.57329	0.8
72.01598	0.6
72.99186	5.6
73.02829	3.6
75.00748	14.0
83.01266	2.5
85.02825	21.6
85.76282	0.5
87.00746	5.8
89.02323	10.9
95.01276	5.3
97.02762	0.5
99.00760	7.8
99.04410	0.6
101.02329	7.9
103.00243	2.3
111.04371	1.0
112.01530	0.6
113.02332	26.1
114.02637	0.6
115.00242	1.3
117.01810	1.6
119.03381	2.7
121.02836	1.7
121.10106	1.1
129.01819	1.2
131.03412	0.7
139.00232	0.7
139.03862	0.5
151.00322	1.0
157.01347	0.9
161.04448	1.1
162.03192	0.9
165.09058	1.3
167.10710	4.7
175.02394	2.2
177.05479	1.1
205.07042	0.7
209.04523	0.9
231.05119	1.0
249.03766	0.9
249.06136	8.7
250.18947	0.5
267.07190	5.8
271.06015	0.5
300.02744	0.7
301.03564	0.6
307.72324	0.5
327.14331	0.6
345.15466	2.2
353.27618	0.5
415.16034	0.6
417.17651	4.2
431.15622	4.2
445.46866	0.5
565.21899	1.0
577.21503	5.2
578.21533	0.8
595.22443	100.0
596.22748	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	595.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07382	2.4
55.01757	4.2
57.03321	8.0
59.00962	4.0
59.01257	64.1
59.07694	2.4
61.98708	4.8
65.23858	2.4
69.03358	2.6
71.01257	68.1
71.57936	4.3
72.99186	15.3
73.02825	21.9
73.88618	2.7
75.00754	45.9
78.95770	3.4
81.03349	2.9
82.08686	2.9
83.01263	11.3
85.02829	54.0
87.00760	17.6
89.02325	13.8
93.03355	5.1
95.01266	7.9
96.95913	4.8
97.02849	6.1
99.00768	19.4
101.02316	20.8
103.00265	5.4
109.02827	9.9
113.02338	46.8
115.00295	4.6
117.01805	5.2
119.04919	6.7
121.02866	5.8
125.02331	2.8
129.01855	2.6
131.03391	7.1
134.03734	4.0
135.04373	4.0
136.01582	4.2
137.02382	27.3
139.03900	6.4
147.00826	3.3
147.04456	2.5
150.03053	3.8
151.00305	4.6
151.03912	6.0
152.01041	5.7
152.04741	2.8
157.01335	5.2
161.04427	3.3
163.03925	6.8
164.01073	3.7
164.04726	4.1
165.01897	15.9
165.05469	5.7
166.02660	3.1
167.03444	5.4
171.26511	2.6
173.04520	14.6
175.00363	4.1
175.02429	6.3
175.03937	7.9
178.99802	4.1
179.03401	21.3
180.04115	4.9
187.04008	4.6
190.02675	12.4
191.05547	6.3
193.03447	18.4
193.04968	6.4
194.05650	3.7
203.83847	2.4
205.05037	15.3
220.07474	3.3
223.05914	3.4
235.04543	9.3
243.61272	2.7
267.57697	2.9
312.76422	3.0
359.11230	3.2
379.08728	5.9
449.08939	3.2
551.23535	100.0
552.23773	16.6
565.20142	3.0
580.19312	9.2
595.21057	45.5
595.29547	17.0
596.22662	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	595.167
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01754	1.3
57.85517	1.0
59.01239	3.8
68.99701	1.3
69.45389	10.3
69.67117	1.0
71.01233	3.5
75.00735	1.1
78.29517	1.1
79.01770	1.8
81.03323	2.7
83.01248	4.5
85.02830	1.8
91.05357	1.2
93.03336	7.1
94.19797	1.1
95.01258	2.5
97.02849	5.9
98.19748	1.1
99.00746	1.7
101.02345	1.5
107.00617	1.0
107.01263	6.5
107.04916	2.1
108.00287	1.1
109.02814	3.7
111.00786	1.2
111.04404	1.6
113.02317	3.3
119.04925	47.4
120.05218	1.4
121.02855	5.4
123.00795	2.2
123.04372	4.2
125.02334	9.9
133.02802	1.5
135.00879	1.1
135.04366	3.9
137.02376	5.8
137.05939	1.4
139.03928	6.9
141.92184	1.0
143.04956	6.6
143.05858	1.2
145.02864	7.9
145.06555	1.2
147.04399	3.6
149.02359	6.4
149.05922	1.2
151.00310	5.7
151.03854	1.8
153.01846	1.2
153.82069	1.2
159.04427	2.1
161.02293	1.7
161.05975	2.9
163.00322	5.9
163.03882	5.9
164.00980	2.1
165.01868	8.3
165.05457	1.9
167.03400	11.8
177.01869	6.6
179.03383	4.6
185.05933	1.3
187.03877	8.8
191.03406	5.9
193.01381	12.6
193.04984	1.7
195.61494	1.2
197.04436	3.0
199.07599	3.1
202.99826	1.2
203.07109	1.3
205.01346	9.7
205.05084	1.3
207.02950	5.3
209.04500	5.3
217.01366	2.1
219.02977	5.9
221.04469	2.2
223.02419	2.6
227.07185	2.4
235.02432	18.3
236.02689	1.6
239.05551	3.3
243.06587	1.6
247.02357	1.4
249.03883	3.4
251.05486	1.2
261.04053	2.8
265.03476	5.3
265.08542	1.4
267.06601	1.6
271.06070	4.7
274.32269	1.2
283.06006	2.1
283.09308	1.4
284.06696	1.1
313.07202	23.1
325.07196	7.2
343.08362	7.1
355.08243	100.0
356.08643	8.5
367.08084	4.6
369.09494	1.6
372.76099	1.2
385.09299	75.4
386.09543	8.8
397.09097	3.8
399.10696	1.5
415.10309	20.7
416.10840	2.7
445.11563	1.4
457.11319	10.1
475.05948	2.0
475.12531	35.7
476.12631	5.2
487.12570	6.7
505.13504	10.1
577.15417	4.3
591.86523	1.5
595.16522	64.1
596.16901	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	595.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27377	0.6
51.74750	0.6
57.03307	1.5
59.01249	16.5
63.02265	2.1
63.41133	0.6
65.00190	2.7
71.01254	14.9
71.56993	0.6
71.57354	0.9
72.99194	3.9
73.02813	2.8
75.00743	4.0
82.23112	0.7
82.81974	0.6
82.86912	0.6
83.01249	4.1
85.02837	8.4
87.00745	3.0
89.02312	7.4
93.03313	1.3
95.01263	1.4
96.95882	1.9
99.00756	2.0
101.02332	3.2
102.83732	0.7
103.00240	2.5
107.01275	9.9
108.02077	1.0
109.02841	2.0
113.02338	6.9
119.03389	1.8
121.02840	8.0
121.10180	1.0
123.00764	1.4
125.02332	1.6
131.03384	1.1
137.61125	0.7
148.01526	0.8
149.02327	0.9
151.00278	40.1
152.00845	0.8
155.98833	0.8
159.04422	0.8
161.00854	1.7
161.02174	0.9
161.04448	1.3
163.00284	1.2
163.03923	1.1
165.09143	0.9
168.00668	0.9
169.01328	3.6
173.10765	0.7
175.03952	0.9
178.68132	0.7
178.99788	18.2
179.05479	1.0
183.04359	1.4
183.10141	1.5
187.03871	1.3
193.01427	1.2
193.03439	0.9
199.03922	1.3
203.03470	0.8
215.03510	1.0
216.04008	0.8
226.02727	0.7
227.03441	5.0
228.03857	1.7
229.05099	1.1
241.14557	0.9
243.02960	8.9
245.04543	1.9
249.06142	1.8
254.02348	1.1
255.02965	17.1
256.03339	2.7
257.04315	1.6
267.07303	1.7
271.02475	28.1
272.03082	3.2
273.04007	2.7
283.02512	1.3
283.10263	1.0
284.03232	3.7
285.03699	3.8
286.03873	3.3
297.11847	4.6
299.01932	9.0
300.02728	42.1
301.03525	100.0
302.03845	6.6
315.14453	9.7
433.07715	34.7
433.16705	1.3
434.08069	3.9
462.08044	1.7
463.08823	58.1
464.09207	4.8
503.12308	0.9
533.39008	0.7
550.21985	1.4
551.22955	3.5
557.27466	0.8
565.22803	1.4
577.21680	2.7
594.15802	1.1
595.13489	14.4
595.22491	3.3
595.30017	2.0
596.12219	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	595.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55054	0.6
57.03328	1.1
58.59855	0.6
59.01255	6.7
63.02268	1.5
65.00197	4.9
69.01215	0.5
69.03348	0.6
69.28869	1.6
69.29288	4.1
71.01262	8.0
72.99187	2.3
73.02824	1.2
83.01275	3.3
85.02826	4.0
87.00764	1.8
89.02328	4.3
93.03355	1.1
95.01254	0.8
98.20638	0.6
99.00757	1.2
101.02330	1.9
103.00267	0.9
107.01276	8.6
108.02015	0.7
109.02847	1.3
111.00669	0.5
113.02336	4.8
115.00266	1.0
119.03401	0.7
121.02851	7.8
121.10136	0.5
125.02325	1.0
131.03389	0.5
135.00763	0.6
136.22318	0.5
143.04858	0.6
149.02383	0.8
151.00284	41.4
152.00662	1.5
153.01851	0.5
161.02397	0.8
163.00279	1.8
164.00999	1.0
169.01366	2.7
173.04503	0.6
175.02431	0.8
178.99794	19.2
179.61150	0.6
180.00192	0.6
183.04422	0.6
187.03957	1.0
189.01706	0.5
193.01517	0.7
193.03387	0.9
199.03981	2.3
211.04027	0.7
211.13341	0.9
213.14938	1.5
215.03410	1.4
226.02795	0.9
227.03389	3.0
229.05020	1.1
241.14447	4.5
242.02313	0.6
243.02960	8.6
244.03276	0.8
245.04495	1.3
248.15312	0.5
249.06169	1.5
253.09346	0.7
254.02257	0.5
255.02985	15.1
256.03290	0.8
257.04291	0.7
258.26901	0.6
267.07217	1.2
271.02496	32.6
272.02957	3.2
273.04068	2.2
283.02454	1.0
297.11993	1.8
299.02005	12.7
300.02768	59.7
301.03531	100.0
302.03864	6.4
315.14615	2.9
373.13245	0.7
433.07770	49.8
434.08014	6.4
462.08356	2.9
463.08841	64.7
464.09232	7.4
477.23169	1.7
551.22803	1.4
577.21088	0.8
595.12952	8.1
595.22101	3.7
596.13586	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	595.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03280	1.5
59.01254	5.9
65.00194	3.7
66.29917	1.1
68.76369	1.0
68.99668	1.4
69.56380	4.4
69.56804	4.3
71.01247	4.8
75.00745	3.2
79.80382	1.2
83.01259	1.7
85.02806	4.0
87.00719	1.9
95.01252	3.5
99.00751	2.4
107.01260	3.7
109.02839	2.6
109.99976	11.9
111.00750	4.7
113.02319	3.5
122.67225	1.2
123.00774	3.8
124.01541	4.1
125.02309	2.6
131.87012	1.2
133.02818	1.7
136.01537	1.8
136.98663	2.5
137.02274	1.4
137.99475	3.9
139.00281	10.2
149.02307	2.3
151.00279	13.2
152.01070	8.4
157.02757	1.3
159.04393	1.9
161.02390	2.6
163.00250	3.5
164.01051	4.5
165.99031	12.0
166.99773	3.5
171.04329	1.6
174.03171	2.2
175.00140	1.3
175.03899	2.3
178.99803	16.9
179.07043	1.1
187.03922	3.4
189.01935	2.8
191.03416	1.2
198.03186	1.6
199.03905	4.8
201.01859	3.4
203.03413	5.6
214.02612	4.9
215.03401	4.7
216.04152	2.7
226.02637	2.0
227.03458	7.2
228.03850	1.6
229.01250	1.7
230.02072	1.5
231.02919	5.2
241.01288	1.9
242.02144	6.0
243.02962	14.4
244.03564	2.1
255.02975	12.4
258.01553	1.4
259.02429	6.2
260.03082	2.5
270.01709	6.6
271.02505	52.8
272.03015	10.9
273.03903	1.7
287.01965	21.0
288.02710	12.9
298.01355	2.5
299.01978	44.9
300.02481	7.9
301.03394	4.4
315.01434	6.2
316.02225	100.0
317.02771	15.7
354.35291	1.3
431.06839	1.4
433.14737	1.2
542.73669	1.2
550.22095	1.3
551.22327	5.4
577.12115	4.0
594.11591	1.2
595.13007	90.4
596.13397	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	593.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37400	1.6
57.03300	1.8
58.00465	3.2
59.01255	100.0
65.12006	1.9
69.67557	8.3
69.67961	3.7
71.01255	49.1
71.62396	1.6
72.99183	4.0
75.00753	4.3
83.01255	2.0
85.02821	12.1
87.00746	6.4
89.02319	60.0
95.01273	3.7
96.95885	3.0
98.19843	3.6
99.00744	2.9
101.02332	21.2
113.02329	23.4
119.03403	25.3
131.03450	2.9
143.03394	5.4
143.04462	2.1
161.04442	6.8
163.25815	1.6
165.05629	1.7
175.02359	2.2
179.05528	18.9
181.01288	2.8
182.01701	1.4
191.05516	3.1
199.88873	1.6
211.05963	3.0
286.01233	2.0
387.16586	2.2
549.22571	8.2
593.14490	2.3
593.28217	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	594.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.7
59.00956	1.5
59.01256	28.6
61.98710	2.8
63.96106	1.6
65.00194	1.3
69.50527	8.1
70.26465	1.2
71.01266	10.1
73.02812	2.2
78.95789	26.1
78.98473	6.6
79.95611	12.3
80.96400	78.7
81.03336	2.0
81.96323	1.5
82.95974	9.1
82.96825	1.2
85.02821	4.4
87.00756	4.3
94.97977	19.4
96.95904	1.1
96.97544	2.5
97.02824	2.2
97.06445	1.1
99.00791	1.2
101.02333	3.8
106.97992	3.3
108.97578	1.1
113.09573	1.3
114.14784	1.0
121.02834	1.9
122.03265	1.2
122.97471	5.9
125.02323	2.3
127.03912	1.3
134.97519	5.7
148.99086	6.1
151.00293	1.2
152.98482	7.8
152.99564	4.0
164.98546	13.8
165.98936	1.2
168.04230	4.8
171.10204	5.2
172.68068	1.1
182.99634	3.4
183.13976	1.1
185.03932	1.0
195.13849	17.7
196.14229	1.8
206.99675	2.9
209.11803	3.4
210.12082	1.4
211.13339	1.5
223.87634	1.3
224.06909	9.8
225.00705	16.1
226.01016	3.7
227.00604	1.7
242.08012	2.2
277.21765	22.1
278.22314	1.6
294.21756	1.8
295.22812	76.6
296.23169	8.0
299.04437	3.2
300.02518	1.9
301.03482	1.8
313.03802	1.1
333.13232	1.3
352.50467	1.1
444.20956	2.4
449.23404	1.4
520.30493	86.3
521.30811	14.0
594.26508	100.0
595.27161	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1306
Annotation	Peltatoside
Peak:m/z	Relative Intensity
51.69771	0.3
59.01255	0.8
61.32310	0.4
65.00203	0.9
71.01254	1.0
71.34433	0.8
75.84256	0.4
83.01266	0.9
85.02827	0.9
89.02290	0.4
95.71003	0.3
96.95770	0.4
107.01279	1.7
109.02853	1.0
111.01831	0.4
113.02354	0.7
119.04929	0.5
121.02859	1.5
123.94989	0.3
125.02341	0.8
128.03452	0.9
129.06517	0.3
131.04565	0.4
133.02788	0.5
143.04579	0.6
149.02339	0.5
151.00264	6.7
159.04425	0.4
163.00307	0.8
165.01802	0.6
169.01367	0.5
171.04419	1.0
175.00331	0.9
175.03954	0.7
178.99796	1.6
183.01018	0.4
187.04007	0.6
192.00616	0.4
193.01270	0.4
199.03967	3.3
201.01849	0.6
203.03423	0.7
214.67030	0.4
215.03430	1.2
222.88846	0.4
226.02687	1.3
227.03455	2.9
243.02934	4.5
254.02190	0.6
255.02945	1.5
271.02481	52.9
272.02835	3.8
272.08865	1.0
273.09164	0.8
299.01974	100.0
300.02588	16.6
301.03528	38.0
302.03937	2.3
313.03275	1.0
322.04700	0.5
343.04248	0.7
433.07742	15.4
433.13696	0.8
434.08252	1.4
462.08035	31.7
463.08768	19.8
464.09088	1.7
475.08878	1.0
527.02228	0.4
595.13062	52.5
595.21252	2.1
596.13416	7.5
596.22394	0.3
598.35797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
65.58978	0.5
69.30729	1.7
69.31148	5.5
73.66125	0.8
78.95779	65.9
90.00771	0.6
96.96843	13.0
150.97917	1.4
152.99493	100.0
153.99809	1.2
164.76353	0.6
171.00584	2.8
193.21819	0.7
223.00104	10.8
241.01160	27.2
242.01428	1.1
259.02222	2.0
259.20615	0.7
277.21725	46.4
278.22104	3.6
315.04868	18.6
316.05222	1.0
593.27332	74.2
594.27673	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	593.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31150	0.6
55.39430	0.8
59.01265	0.9
64.26675	0.6
66.66785	0.8
69.38378	7.1
78.95783	55.2
94.09062	0.7
96.96844	9.1
98.19839	1.4
120.22520	0.6
138.00923	0.7
150.97908	1.0
152.99503	100.0
153.99892	1.3
171.00508	3.4
185.13980	0.7
223.00096	11.1
241.01170	27.1
259.02383	1.5
277.21741	47.3
278.22040	4.9
315.04886	21.1
316.05319	1.0
333.06036	1.8
549.59760	0.8
593.27350	82.9
594.27795	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	593.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58295	0.7
59.01240	1.6
59.44427	0.6
66.77052	0.6
71.21349	1.2
78.95780	94.3
96.96844	19.8
130.84735	0.7
134.98466	0.8
150.97957	1.3
152.99496	76.3
153.99837	0.9
171.00555	1.1
209.11606	0.7
223.00075	2.1
241.01166	42.4
241.59450	0.7
242.01566	1.2
277.21729	65.6
278.22153	5.3
300.02811	1.0
315.04910	15.2
316.05200	0.7
333.58783	0.7
413.21021	9.0
414.21417	1.1
439.81631	0.7
471.94003	0.6
475.31314	0.7
505.92023	0.7
583.54437	0.7
593.27356	100.0
594.27625	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	593.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	0.4
59.01246	0.8
63.96107	0.8
64.86734	0.3
69.34753	2.5
69.35181	1.1
71.01254	5.6
72.26413	0.4
73.02824	1.4
73.32700	0.4
78.98465	5.0
79.95125	0.7
79.95611	33.6
80.96394	53.7
81.03338	0.9
85.02829	2.2
87.00757	2.2
88.16341	0.4
93.97169	0.5
94.97962	12.6
96.95884	1.1
97.02835	1.0
99.00809	0.7
101.02345	2.6
106.97985	2.7
122.66827	0.4
122.97478	4.3
125.02341	2.7
127.03893	1.0
132.47098	0.4
134.97487	3.8
136.99052	1.4
148.99054	4.2
152.98561	6.2
161.04510	0.4
164.98549	9.6
167.00110	0.6
179.00089	0.6
182.99660	2.2
195.13872	0.5
197.01164	0.7
197.27298	0.4
206.99600	3.4
225.00716	17.1
241.00214	1.1
243.01730	1.9
266.54694	0.4
293.21301	0.6
299.04507	3.9
315.04037	0.8
371.06461	1.7
385.08020	1.0
399.09500	1.3
405.20944	0.4
413.11081	1.0
427.12830	0.8
441.14255	0.7
455.15619	2.0
495.18976	1.4
523.18610	0.7
524.19232	1.1
593.26349	100.0
594.26733	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	593.2638
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.58618	0.5
57.63129	0.4
59.01236	0.6
63.96114	1.2
69.03335	0.9
69.24976	1.2
69.25376	5.1
71.01257	7.2
73.02823	2.6
78.98471	6.0
79.95118	0.8
79.95610	45.5
80.96392	70.9
81.03336	0.6
83.01220	0.5
85.02814	3.3
87.00746	2.5
94.97961	17.0
96.95877	1.2
97.02837	1.7
99.00780	0.7
101.02333	3.7
106.97976	2.9
122.97469	5.1
125.02368	3.4
127.03911	1.0
134.97461	5.1
136.99098	2.4
146.97450	0.6
148.99043	5.2
152.98531	8.6
161.04454	0.9
164.98549	12.2
167.00162	0.7
179.00060	0.9
182.99606	2.8
195.13872	0.9
206.99641	4.6
225.00691	20.2
226.01180	0.6
241.00217	1.4
243.01738	2.5
286.98569	0.5
299.04413	4.6
315.03726	1.0
371.06476	2.3
385.08044	1.3
399.09677	2.2
413.11261	1.6
427.12714	0.8
455.16119	2.8
456.16849	0.5
495.19101	2.2
523.19604	0.6
524.19250	1.4
593.26361	100.0
594.26666	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2639
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
54.13007	0.4
59.01254	1.5
60.19366	0.4
61.98703	2.7
63.96109	1.3
69.03320	0.6
69.53557	3.2
71.01256	7.1
73.02828	1.3
78.98465	6.2
79.95612	9.8
80.96394	69.0
81.03322	0.7
85.02830	2.4
86.77241	0.4
87.00768	1.8
94.97964	16.6
96.95897	1.0
97.02843	1.0
101.02313	2.5
106.97963	2.6
113.02370	0.6
113.66341	0.4
118.97870	0.4
121.35547	0.4
122.97481	5.7
125.02312	2.9
127.03901	1.1
134.97488	4.6
136.99063	1.5
147.67877	0.4
148.99065	4.7
152.98547	7.7
164.98557	11.0
167.00053	0.5
182.99623	2.0
206.99663	2.9
209.11816	0.6
225.00703	16.5
226.01044	0.7
235.17082	0.4
243.01770	1.3
299.04391	2.9
336.82870	0.4
593.26361	100.0
594.26672	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78915	1.1
57.03331	6.7
59.01249	22.7
59.01683	1.4
61.98701	7.4
66.97139	1.2
69.03329	2.0
71.01252	11.2
71.04894	1.5
72.99191	4.0
73.02818	4.8
75.00737	5.6
76.17759	1.1
78.95769	2.2
80.96370	1.7
83.01254	1.7
83.04894	1.5
85.02819	8.4
85.13638	1.3
87.00752	2.9
89.02308	4.4
91.01747	2.8
93.03326	1.6
95.01251	2.3
96.95856	3.0
97.02195	1.3
98.20511	2.4
99.00754	3.5
101.02296	6.8
111.04309	1.3
113.02311	7.0
118.27547	1.2
119.01291	6.3
119.04863	2.7
121.02815	4.7
123.08022	1.3
125.02306	2.1
134.03578	1.6
135.04445	1.9
136.03973	1.4
137.09587	2.6
147.00774	3.8
147.04320	1.5
149.02345	25.7
151.00290	1.6
151.07533	1.4
152.00992	1.7
161.02321	2.5
161.04433	2.0
163.03868	4.3
163.11182	2.7
164.04701	22.7
165.01837	3.4
175.00288	34.5
175.02431	1.8
176.00693	2.0
178.99767	1.4
179.07039	3.9
181.08607	2.7
181.12259	2.3
181.96516	1.3
189.01970	1.4
190.02650	98.1
191.03145	5.6
195.13855	3.6
197.15413	2.9
205.05003	100.0
206.05406	4.8
207.13843	2.2
208.03673	2.5
223.06079	37.6
224.06438	1.8
225.14931	12.0
227.03401	4.8
255.02975	8.5
271.02484	4.0
284.03333	9.1
285.03964	4.9
287.22464	1.3
299.01923	2.0
300.02789	7.6
301.03342	2.5
307.07932	1.3
315.04968	3.8
325.21478	1.4
367.10336	23.1
368.10681	3.0
371.27966	1.5
515.32281	2.4
533.33032	3.8
549.28992	2.1
593.15759	10.8
593.26044	96.7
593.35266	13.3
594.16656	1.8
594.26758	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	593.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92085	0.4
55.40518	0.4
59.01255	3.2
63.96116	1.0
69.34225	4.4
70.55775	0.4
71.01260	6.5
73.02824	1.4
75.00742	0.5
77.63109	0.4
78.95786	1.0
78.98465	5.7
79.95114	0.4
79.95610	34.3
80.96393	58.6
81.03334	0.9
85.02823	3.1
87.00758	3.1
94.97967	14.0
96.95918	1.2
97.02842	1.1
99.00732	0.7
101.02328	2.5
106.97977	2.3
107.01270	0.5
113.02341	0.5
122.97483	3.8
125.02330	3.1
127.03928	1.1
127.81848	0.4
134.97472	3.7
136.99040	1.8
148.99031	5.8
152.98531	4.4
152.99568	0.7
161.04475	1.5
164.98557	11.0
164.99989	0.5
178.99934	0.8
188.98592	0.6
195.13835	1.7
206.99727	2.9
225.00691	13.5
226.01089	0.6
241.00140	1.8
249.52901	0.5
277.21796	1.0
293.21265	0.4
295.22784	10.1
299.04401	2.5
300.56482	0.7
311.04984	0.4
311.87802	0.5
315.03943	1.2
343.28894	0.7
371.06735	2.6
377.28244	0.6
385.08160	0.8
399.09619	1.8
413.11230	1.5
427.12802	0.9
441.14502	0.7
455.16049	2.2
481.18024	0.7
495.19156	1.6
520.30487	4.8
524.19299	0.9
593.26349	100.0
594.26648	14.2
594.36029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07114	0.4
56.24338	0.4
58.00320	0.5
58.00562	0.7
59.00852	1.5
69.47845	4.4
71.00978	3.2
71.01418	8.4
72.98958	0.7
72.99335	1.4
73.02612	0.6
73.02952	1.2
74.29993	0.5
75.00877	0.9
83.01399	1.1
85.03017	3.5
87.00883	0.9
89.01907	1.5
89.02509	6.6
91.01934	0.5
93.03481	0.9
95.01393	1.1
99.00314	0.5
99.00887	1.1
101.01805	1.2
101.02531	6.3
106.04353	0.5
107.10599	0.5
108.02216	0.5
113.01721	0.8
113.02552	4.8
119.00725	0.5
119.01498	1.7
119.03591	2.8
121.03051	2.2
125.02481	1.1
134.03812	0.8
135.04562	0.8
137.02499	1.0
147.00949	1.0
147.04584	0.8
147.55121	0.6
147.62756	0.5
148.01701	0.8
149.02586	9.8
150.03349	1.7
151.04141	0.8
152.01257	1.0
153.02005	0.8
163.04164	1.5
163.11449	3.5
164.04939	7.9
165.02000	0.9
165.05644	0.9
175.00302	10.4
175.04117	1.0
176.01091	10.2
177.01880	1.1
179.07231	0.6
184.59319	0.6
187.07845	0.6
190.02647	29.8
191.03415	11.4
192.03993	0.9
193.01506	0.7
193.05165	1.0
194.02336	0.7
205.05005	25.9
206.05450	2.4
207.03067	0.7
207.10239	7.5
208.03825	0.7
208.10760	0.6
209.04488	1.0
210.91911	0.5
221.08412	1.7
223.06085	8.7
227.03560	0.6
241.14679	2.2
250.05161	0.6
251.05644	0.6
251.12921	0.6
253.09444	0.7
255.03026	0.7
265.07208	3.7
269.14355	0.6
284.03531	0.6
285.04153	1.0
295.08313	0.5
300.02792	1.0
311.07904	0.6
325.09198	1.3
369.15622	1.4
387.16611	100.0
388.16989	10.8
502.65863	0.6
505.22794	1.2
519.18439	1.3
533.19885	0.8
561.19861	1.3
593.22064	29.8
594.22577	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	593.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.9
57.03318	3.7
59.01254	32.7
70.15863	1.2
71.01259	26.3
72.99178	4.8
73.02831	4.8
75.00751	28.5
83.01262	3.0
85.02824	38.0
87.00759	8.6
89.02342	4.3
95.01291	4.6
97.02796	1.1
99.00752	9.9
101.02325	7.3
107.62578	0.8
111.00769	1.1
113.02338	37.7
114.02652	0.9
115.00262	2.8
117.01815	1.6
125.02323	1.3
125.37132	0.8
129.01837	1.0
132.78851	0.9
136.21111	1.0
138.55075	1.0
157.01372	1.9
161.04488	2.1
175.02432	3.9
227.03493	4.6
229.04956	1.5
230.13329	1.0
255.03027	7.9
256.03647	1.3
267.03366	0.9
284.03308	10.8
285.03992	11.3
286.04254	1.4
331.17780	1.7
445.20834	3.6
549.21875	100.0
550.22333	14.5
593.15143	8.8
593.26825	3.8
594.15338	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.7
57.03315	3.1
59.01255	26.7
69.42805	12.6
69.43212	3.3
71.01260	20.1
72.99193	4.7
73.02829	5.0
75.00748	23.2
83.01276	3.1
85.02824	19.1
86.22009	1.6
87.00767	7.5
99.00787	10.1
100.00288	1.5
101.02330	4.3
113.02346	21.7
115.00278	1.8
175.02440	3.4
227.03442	24.5
228.03734	2.1
255.02953	35.4
256.03470	4.7
284.03305	44.2
285.03967	9.5
492.34521	1.8
549.21930	100.0
550.22498	8.7
593.15082	35.7
593.23608	3.2
594.15417	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	593.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.5
57.03334	7.0
59.01255	47.0
60.01561	1.2
70.87630	3.2
71.01258	34.9
72.99174	6.1
73.02824	7.0
75.00752	30.3
76.86504	1.2
83.01270	4.2
85.02837	33.9
85.94906	1.3
86.03197	1.5
87.00764	11.9
89.02329	7.5
95.01266	3.8
96.95894	2.1
99.00761	13.2
101.01730	1.9
101.02305	8.4
109.02818	2.1
113.02345	35.8
114.81467	1.5
115.00271	4.5
117.01804	1.5
118.04913	1.5
119.03442	1.6
125.02345	3.1
137.02353	2.1
151.00319	3.2
152.01074	1.9
153.01826	1.5
157.01378	1.5
161.04501	2.8
173.04514	1.9
175.02362	3.7
178.99759	2.1
219.02745	1.4
227.03467	2.4
240.85820	1.5
255.02983	2.5
271.02615	9.5
284.03317	3.0
285.03885	2.2
299.01880	11.1
300.02576	4.5
301.03564	8.9
345.87128	1.5
369.09875	1.5
445.20990	2.4
446.08768	2.6
447.09476	6.4
500.18347	1.7
549.21948	100.0
550.22443	13.5
593.14471	12.1
593.22382	1.7
593.27722	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79509	0.2
55.35723	0.2
59.01255	0.7
60.12619	0.2
65.00198	0.9
69.49964	0.7
69.50380	0.9
71.01257	0.9
79.53502	0.2
80.95494	0.2
83.01275	0.5
85.02834	0.8
87.00771	0.3
95.01273	0.3
98.20519	0.4
99.00779	0.3
107.01266	1.3
108.02071	1.6
113.02335	0.7
121.02872	0.3
124.01584	0.4
125.02319	0.2
128.11145	0.2
135.00787	0.7
139.65924	0.2
140.94908	0.2
143.04543	0.2
148.01535	1.9
151.00264	2.9
153.01840	0.2
163.00348	1.0
164.01039	0.8
171.04518	0.3
175.03824	0.2
178.99797	2.5
183.04543	0.3
187.03854	0.4
192.00575	0.3
198.03070	0.4
199.03865	1.0
201.01979	0.3
211.03871	0.5
213.01759	0.2
215.03465	0.9
216.04185	0.4
226.02663	1.8
227.03448	3.6
229.01497	0.4
243.02962	11.1
244.03378	1.1
254.02199	2.2
255.02977	28.0
256.03339	2.3
271.02484	61.2
272.02896	6.0
273.03754	0.3
284.03378	0.7
285.03769	0.3
298.01239	0.6
299.02029	2.5
299.05417	0.5
300.02747	100.0
301.03198	11.6
302.03693	0.3
325.04034	0.2
345.06140	0.8
429.08398	0.5
440.15469	0.2
447.09479	0.3
458.63904	0.3
489.10480	0.4
593.15131	47.6
593.27826	2.3
594.15527	7.8
594.29034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
59.01254	4.2
61.98695	1.8
71.01253	2.7
73.02808	1.1
75.00727	1.1
83.01246	0.8
85.02811	2.4
87.00741	0.9
89.02312	1.2
91.96945	0.5
98.20579	1.4
99.00755	0.8
101.02330	1.6
107.01268	0.9
113.02326	1.4
117.03294	0.5
119.04904	0.5
151.00258	0.9
178.99699	0.7
182.52339	0.5
183.04404	2.3
205.05054	0.7
211.03929	1.5
222.50809	0.6
227.03439	36.2
228.03816	2.6
229.05283	0.6
255.02965	59.8
256.03503	8.8
257.04355	0.7
271.02512	1.0
283.02478	24.4
284.03247	61.8
285.03787	8.9
299.05597	100.0
300.02637	2.1
300.05942	8.0
341.06561	1.3
461.10834	2.6
473.11136	1.2
536.30688	0.5
578.13049	2.8
593.15112	35.6
593.27014	2.9
594.15460	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	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69628	0.3
57.03330	0.6
59.01247	3.4
65.00205	0.5
71.01256	3.3
72.99180	0.7
73.02798	0.6
83.01247	1.2
85.02815	2.6
87.00747	0.6
89.02320	0.9
98.20674	0.7
98.42690	0.4
99.00777	0.7
101.02316	1.0
107.01271	1.5
107.33347	0.3
108.02068	1.5
109.02861	0.6
113.02322	2.6
120.02045	0.3
121.02855	0.6
125.02382	0.5
135.00769	0.9
139.00339	0.4
143.04472	0.4
147.00850	0.5
148.01570	1.4
151.00255	3.8
151.01360	0.4
153.81355	0.3
163.00235	0.9
164.00987	0.5
171.04485	0.5
178.99786	2.8
179.07014	0.3
183.04559	0.4
184.04831	0.3
198.03143	0.4
199.03926	0.9
201.01994	0.5
211.03970	0.7
215.03474	0.5
226.02690	1.4
227.03438	4.3
229.01395	0.5
229.05067	0.4
231.66841	0.4
243.02945	12.6
244.03426	1.1
254.02199	2.2
255.02975	27.5
256.03415	1.6
257.04077	0.3
271.02478	58.4
272.02917	6.5
284.03262	2.7
285.03958	2.6
299.02011	4.3
299.05499	0.7
300.02740	100.0
301.03238	12.5
314.04288	2.1
371.15005	0.5
389.15359	0.3
481.64743	0.4
593.15118	46.7
593.28076	7.6
594.15411	8.6
594.28735	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82954	0.3
57.03316	0.4
59.01250	2.7
61.24314	0.4
63.02285	0.4
63.17765	0.4
65.00208	0.7
65.84982	0.3
69.46565	2.7
69.46989	0.7
72.99195	0.7
73.97670	0.3
75.00751	1.6
83.01266	1.0
85.02821	2.1
93.38766	0.3
99.00749	0.7
101.02306	0.7
105.43214	0.3
107.01279	1.4
112.37840	0.3
113.02333	2.3
118.84709	0.3
125.02389	0.5
132.02092	1.4
135.00815	0.8
137.91525	0.3
139.73746	0.4
151.00302	2.2
152.01070	0.6
153.01898	0.4
163.00275	0.8
164.01083	0.7
169.55196	0.3
178.99825	1.8
183.04446	0.9
185.06061	0.6
211.03983	2.2
213.02028	0.6
226.86630	0.4
227.03468	40.9
228.03908	2.6
229.05057	1.0
239.03464	1.0
255.02982	67.2
256.03506	7.8
257.04556	2.2
283.02563	1.9
284.03275	100.0
285.03897	18.4
285.07187	0.7
286.04416	0.5
327.05264	0.6
429.08212	2.9
447.09244	0.5
473.10767	0.5
549.21906	10.0
550.22223	1.1
593.15143	68.3
594.15509	11.5
603.14459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12970	0.4
57.03329	0.4
59.01259	2.5
65.00194	1.0
65.68049	0.4
69.49823	3.5
70.72200	0.4
71.38964	0.4
75.00757	1.6
78.47995	0.4
83.01283	0.7
85.02833	1.6
89.02357	0.7
93.03343	0.9
99.00753	0.7
107.01262	1.9
109.35984	0.5
113.02346	1.3
125.02321	0.6
127.32324	0.4
132.02078	1.6
135.00787	1.4
141.12811	0.4
143.04961	0.6
151.00307	2.5
152.00786	0.4
161.09706	0.4
163.00284	1.3
164.01019	1.0
175.03926	0.5
178.99756	1.3
183.04448	1.1
185.06006	1.0
187.03938	1.2
189.05455	0.5
197.05914	0.6
199.04172	0.4
211.03897	2.1
213.05559	0.6
227.03456	39.0
228.03818	2.8
229.04985	3.4
230.05333	0.6
239.03447	0.9
255.02980	77.4
256.03458	9.4
257.04504	3.1
283.02487	2.4
284.03268	100.0
285.03964	27.7
286.04407	1.7
327.04581	0.6
351.05252	0.5
429.08224	1.4
447.08929	0.6
549.21875	2.5
593.15131	51.4
594.15479	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	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73018	0.2
53.88880	0.2
54.41024	0.2
58.44059	0.2
58.52105	0.2
59.01255	0.4
69.71300	1.0
69.71703	0.4
71.01255	1.8
77.03844	0.4
78.98457	1.3
79.95616	2.0
80.96395	13.8
83.44050	0.2
85.02827	0.5
87.00761	0.6
91.01767	0.3
94.97967	3.0
101.02309	0.4
106.97993	0.7
120.02081	0.8
121.02850	100.0
121.94905	0.2
122.03173	2.8
122.97495	1.2
122.98257	0.3
125.02323	0.5
134.97475	1.0
136.01563	0.5
148.99034	1.2
152.98549	1.1
162.33182	0.2
164.98575	2.0
165.01842	5.0
180.05708	0.5
181.04956	0.4
181.06483	2.3
182.99565	0.5
197.06017	1.7
206.99629	0.4
207.04460	0.5
207.08125	0.5
209.04503	57.3
210.04907	2.8
225.00694	3.1
225.05528	1.5
243.01784	0.3
251.07172	0.4
257.09598	0.6
285.09131	0.4
299.04395	0.6
313.07169	1.9
313.72220	0.3
357.06171	0.9
373.10709	0.4
383.07623	1.1
417.09787	1.2
505.11523	3.0
549.10468	6.2
550.10779	0.7
593.12976	7.5
593.26306	18.4
594.13354	1.2
594.26630	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03013	0.4
59.01254	3.7
63.02271	1.5
65.00197	3.6
69.25134	4.4
71.01243	1.6
73.02797	0.5
80.47070	0.4
83.01266	2.2
85.02822	0.9
87.00738	0.5
89.02312	1.3
91.01775	0.8
93.03332	1.6
96.95873	1.7
101.02332	1.2
103.03858	0.6
107.01269	8.2
108.02087	1.3
109.02852	3.8
111.00850	0.5
113.02334	0.7
117.03362	0.5
119.01275	0.8
119.04918	6.8
121.02845	6.1
125.02336	0.7
129.37590	0.5
133.02824	0.5
135.00752	1.2
139.03941	0.7
145.02861	1.3
148.01620	1.1
149.02339	1.0
151.00279	25.6
152.00670	1.0
159.04428	1.4
163.00275	5.7
163.03912	8.0
164.01065	1.3
167.04955	0.4
169.01358	1.8
171.04436	0.8
173.05983	0.6
175.03909	1.1
178.99783	13.9
183.04419	1.9
185.05943	0.6
187.03989	0.7
189.52045	0.5
192.00565	0.8
193.01366	0.8
199.03937	2.6
201.01920	1.1
201.05504	1.2
203.03488	0.6
205.04971	0.9
211.03889	3.1
213.01828	0.5
214.02620	0.5
215.03416	1.4
223.01752	0.5
226.02617	1.7
227.03456	4.7
229.05048	1.9
239.03470	0.7
243.02989	8.4
244.03502	0.9
245.04489	3.5
254.02225	1.5
255.02980	23.5
256.03345	1.6
257.04504	0.6
266.02148	0.8
271.02484	42.6
272.02939	4.1
273.03973	2.4
275.14893	1.4
283.02423	2.8
284.03207	0.9
299.01974	11.4
300.02744	62.3
301.03516	100.0
302.03824	7.9
429.08356	5.4
430.08963	0.8
447.09265	8.5
448.10251	0.6
593.13062	28.1
593.27826	1.2
594.13544	5.7
594.22681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28691	0.4
59.01256	3.3
63.02282	2.5
65.00196	3.5
69.79394	2.6
71.01238	1.3
71.62379	0.4
72.85280	0.4
73.02827	0.5
77.39895	0.4
83.01256	2.4
87.00764	0.4
89.02316	0.6
91.01723	0.7
93.03345	1.2
96.95908	0.5
101.02328	0.6
107.01272	7.5
108.02083	1.3
109.02825	4.5
113.02348	0.5
117.03346	0.4
119.01272	0.7
119.04921	6.8
121.02843	6.3
125.02345	0.6
133.02849	0.5
135.00732	1.2
135.67950	0.4
139.03897	0.5
141.18866	0.4
145.02850	1.2
148.01582	0.9
149.02298	1.1
151.00287	27.4
152.00648	0.9
159.04425	0.7
163.00296	5.9
163.03935	7.8
164.00998	1.1
169.01314	2.1
171.04391	0.8
175.03932	0.9
178.99789	15.1
180.00195	1.0
183.04433	1.7
187.03961	1.2
190.99702	0.7
198.03116	0.4
199.03917	2.4
200.04382	0.6
201.01823	0.6
201.05533	1.4
203.03362	0.9
211.03896	2.2
213.01991	0.5
215.03464	1.1
226.02708	1.0
227.03522	3.4
229.04993	1.7
239.03461	1.2
243.00497	0.5
243.02997	8.7
244.03491	0.4
245.04532	2.9
254.02174	1.3
255.00264	0.6
255.02977	19.3
256.03522	2.0
271.02484	42.0
272.02884	4.4
273.04092	2.9
275.14929	1.5
283.02460	2.8
284.03271	0.9
299.01987	11.4
300.02750	60.3
301.03519	100.0
302.03897	5.9
305.55957	0.4
341.16891	0.4
347.19974	0.4
419.23520	0.5
424.21893	0.6
429.08356	3.3
430.08716	0.7
441.06039	0.4
447.09296	7.3
448.09537	0.7
489.34875	0.5
533.29614	0.5
593.13037	31.6
594.13251	5.4
624.23492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71723	0.8
59.01252	28.0
61.98705	3.4
63.96137	0.8
65.74113	0.8
69.03310	1.2
70.43307	0.8
71.01253	4.5
71.57706	1.6
72.82764	0.8
75.00803	1.4
78.95778	13.8
78.98468	2.2
79.95612	6.1
80.96393	24.9
85.02822	2.1
87.00720	1.5
89.02355	1.5
94.97977	6.1
97.02856	1.2
101.02322	2.5
106.98006	0.9
107.16996	0.8
111.08073	1.5
113.02322	1.5
118.74276	0.8
122.97480	1.6
125.02362	2.4
134.97478	1.8
148.99065	2.8
152.98497	2.1
152.99522	5.1
160.00398	0.8
164.98541	4.3
168.04239	3.8
181.12311	1.0
195.13864	11.1
205.12262	1.0
206.99716	1.3
209.11781	1.6
211.13330	4.2
223.13274	7.8
224.06912	1.2
225.00720	8.3
228.13716	1.0
242.07959	6.3
275.20193	4.9
293.21243	100.0
294.21460	8.9
447.21753	1.4
518.28894	65.5
519.29315	10.6
592.24786	6.7
593.26306	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.7
59.60408	0.2
61.74933	0.2
61.98710	100.0
63.96127	0.3
71.01260	2.7
73.02831	0.7
74.34256	0.3
78.95812	1.0
78.98460	2.2
79.95616	3.8
80.96401	24.8
85.02837	1.5
87.00759	1.4
94.97978	5.6
96.95902	0.4
97.02850	0.7
98.20580	0.5
101.02347	1.2
106.98021	1.5
113.02411	0.3
121.02863	0.4
122.97498	2.1
125.02369	0.8
127.03861	0.3
134.97493	1.7
136.99010	0.4
141.84662	0.3
148.99083	2.1
151.00305	0.3
152.98578	2.8
164.98558	4.3
167.00165	0.4
182.99702	0.8
206.99669	1.0
209.11801	0.6
225.00725	5.9
243.01888	0.4
278.66827	0.3
287.61722	0.3
293.21405	0.5
299.04608	0.9
299.26086	0.3
361.84811	0.4
592.25134	6.2
593.26355	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89605	2.1
55.83083	2.2
57.03344	2.7
59.01255	100.0
60.01570	2.2
61.98706	8.6
69.41622	2.5
69.41957	20.1
71.01242	20.3
73.02814	5.6
75.00756	4.7
83.01276	5.7
85.02836	13.9
87.00742	3.9
89.02323	5.8
90.49779	1.8
96.95908	4.6
97.02863	2.3
99.60013	2.0
101.02337	14.6
111.00801	3.1
111.04418	5.3
113.02305	11.6
118.06068	2.0
119.03395	3.3
126.20085	2.0
127.08889	1.9
136.28032	2.2
161.04448	5.9
171.10210	4.3
175.03947	5.4
190.02739	2.8
201.22432	2.4
223.06155	3.6
322.17004	3.3
343.28625	3.1
344.01166	2.2
487.32770	38.3
488.33188	6.1
505.33972	16.8
531.32330	4.2
533.29425	6.1
547.31281	8.0
591.25824	2.9
591.29523	3.2
592.23663	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	591.412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
65.79332	6.2
66.45454	6.0
68.72276	6.1
69.64520	6.1
71.57336	5.3
71.57797	11.6
89.02329	11.0
91.03889	43.8
122.86697	6.4
178.64914	6.9
223.13326	18.3
311.22174	8.4
321.31659	45.7
322.31982	8.2
365.30566	19.1
383.31662	30.0
394.68338	6.9
414.10104	7.5
439.34055	35.9
451.15680	5.9
457.29678	7.9
457.35303	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34340	0.2
58.98243	0.3
59.01243	0.4
61.98703	100.0
68.61700	0.3
69.93527	0.7
69.93935	1.0
71.01264	1.2
76.99143	0.3
78.95795	0.3
78.98471	1.0
79.95615	2.6
80.07058	0.3
80.96393	13.1
82.95981	0.4
85.02827	0.7
87.00742	0.6
88.54119	0.3
94.97974	2.8
97.02805	0.4
99.73756	0.3
100.80551	0.3
101.02346	0.6
106.98029	0.3
122.97470	1.0
125.02356	0.5
134.97475	0.9
148.99010	0.9
152.98543	1.1
164.98546	1.7
169.58583	0.3
206.99649	0.6
209.11778	0.7
225.00655	2.7
243.01801	0.3
299.04410	0.3
395.27853	0.4
574.22058	0.5
592.25012	7.2
593.26233	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	591.2483
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
56.22415	0.8
59.01253	7.3
59.67471	0.9
61.32805	0.8
61.98711	4.0
63.13621	0.9
63.96105	1.3
68.48810	0.8
71.01263	9.2
71.58298	1.2
73.02824	2.7
78.95777	2.9
78.98473	6.0
79.95179	1.0
79.95616	12.1
80.96398	64.9
81.03342	1.4
85.02811	4.1
87.00755	3.6
89.02333	1.5
94.97972	16.1
95.01266	1.4
96.95914	1.6
97.02822	1.7
99.00731	2.0
101.02340	4.5
106.97975	3.6
110.13725	1.0
113.02326	2.2
122.97466	5.6
125.02345	3.2
127.03961	1.1
134.03641	1.2
134.97476	3.0
136.99074	1.5
148.99071	5.9
152.98535	5.4
152.99577	1.2
164.98572	10.6
165.12782	0.9
171.10092	1.9
182.99620	1.8
199.70934	0.8
201.11162	0.9
205.40616	0.8
206.99640	3.6
211.13321	2.3
225.00742	18.9
243.01656	1.8
253.09364	1.6
291.19662	2.5
299.04434	3.7
306.25937	0.8
309.20654	2.1
318.21280	0.9
324.53186	0.8
337.71109	0.9
395.20410	0.9
591.24799	100.0
592.25159	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2615
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
59.18014	0.7
63.80492	0.7
67.08167	0.6
67.56742	0.8
69.93130	1.3
69.93530	3.5
85.26467	0.9
98.20512	0.9
106.06513	0.8
145.54468	0.8
188.22400	0.7
247.10011	0.7
253.99283	0.8
311.53699	0.9
389.42773	0.7
443.22467	1.8
445.19943	1.5
456.23431	1.5
459.21939	2.1
471.25375	3.4
472.23071	1.8
473.23837	1.5
482.21216	2.3
485.19998	2.2
487.25079	3.1
497.23511	4.7
499.21252	4.0
500.22180	12.5
501.22556	2.3
503.21912	1.0
515.24561	100.0
516.24817	18.6
559.23425	3.4
560.23718	1.2
573.21918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.0
58.69221	0.6
59.01256	18.6
61.98677	0.8
63.46957	0.8
65.00183	1.3
69.32409	0.9
69.32800	6.8
71.01266	10.2
72.99177	2.3
73.02826	2.2
75.00737	2.2
77.99998	0.7
78.95789	1.0
82.60561	0.7
83.01259	2.2
83.04907	1.4
85.02832	3.5
87.00764	2.8
89.02341	3.6
91.01787	3.0
93.03352	1.9
95.01269	2.0
96.95908	1.3
97.02825	0.9
99.00780	1.6
101.02331	4.1
101.78834	0.8
107.01212	0.7
108.02077	0.7
109.02844	1.5
113.02351	4.2
117.03290	0.7
119.01254	6.7
119.03384	0.8
119.04949	2.1
121.02858	4.8
125.02338	2.7
133.02907	0.8
134.03648	1.4
135.04424	3.2
136.05284	0.8
137.02383	1.2
138.06787	1.4
143.06996	0.8
145.02794	0.7
147.00777	6.2
147.04399	2.9
149.02354	27.3
150.03076	0.8
151.00261	2.0
151.03972	1.3
151.07503	1.0
152.01035	2.6
152.08357	3.0
153.09122	4.0
160.01558	0.7
161.02335	1.2
161.04453	1.2
162.03156	1.2
163.03944	5.3
163.11223	1.2
164.04710	27.4
165.01872	3.9
165.05353	2.2
171.10159	1.4
173.02406	0.7
175.00299	39.8
175.03833	1.5
176.00807	1.6
177.01878	1.2
177.05600	1.1
178.99780	1.5
179.03398	1.4
179.07031	4.5
181.08638	0.8
188.04787	0.7
189.01906	1.5
190.02660	100.0
191.03230	7.7
193.01427	1.7
194.02121	0.9
201.01884	2.6
201.11270	1.5
203.07039	1.5
205.05020	91.7
205.12308	4.9
206.05568	8.4
207.02844	1.6
208.03708	2.4
209.04468	2.4
221.08124	5.8
222.05472	0.9
223.06091	45.6
223.13162	0.8
224.06439	2.1
237.07678	1.9
250.04756	1.6
251.05539	0.9
265.07162	16.6
266.07526	1.1
281.04645	1.0
289.07159	2.2
295.02512	0.7
295.08301	5.5
323.05521	0.9
325.09451	7.7
327.08740	0.9
351.05109	3.4
367.10358	2.3
370.10416	0.8
383.07697	4.1
385.11111	2.0
395.07639	1.3
399.10767	2.7
427.10330	19.6
428.10568	3.1
531.32037	3.7
549.33215	1.7
559.15033	0.9
591.16852	6.4
591.24603	80.2
592.16064	1.6
592.24860	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	591.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
55.19551	0.7
57.03336	3.7
58.00464	1.2
59.01255	24.7
61.98696	3.5
63.02258	0.8
65.00198	1.6
66.53739	0.7
69.03341	0.9
71.01257	15.5
72.99195	2.2
73.02819	3.3
74.22256	0.8
75.00757	4.8
76.22575	0.8
78.95795	1.1
81.03334	1.4
83.01269	3.3
83.04919	1.5
85.02826	7.9
87.00769	4.0
88.98744	0.9
89.02325	5.6
91.01774	1.9
91.26786	0.8
93.03330	1.8
95.01271	1.3
96.95918	1.3
97.02835	1.6
99.00766	2.3
99.04349	1.0
99.69729	0.8
101.02329	4.8
101.37017	0.7
107.01308	1.7
107.04907	1.6
109.02866	2.0
113.02338	7.5
117.01796	0.9
117.03341	1.2
119.01289	6.7
119.03440	2.3
119.04937	1.9
121.02848	3.6
123.04395	1.8
124.01572	1.2
125.02338	4.1
132.02112	0.8
133.02866	2.5
134.03642	2.7
135.04434	3.6
136.05286	0.9
137.02385	2.1
143.03453	1.2
147.00772	4.4
147.04384	2.4
149.02362	23.6
149.06038	1.4
150.03073	1.9
151.00334	5.5
151.03947	1.2
151.07530	0.9
151.11160	1.0
152.01044	3.3
152.08365	2.1
153.01852	1.1
153.09123	2.8
160.01639	2.1
161.02354	8.8
161.04457	1.1
161.05992	0.8
161.09633	1.7
161.57335	0.8
163.03944	4.6
163.11214	1.9
164.01085	1.0
164.04710	26.9
165.01865	2.4
165.05211	0.9
165.09090	0.8
166.02705	1.0
167.97255	0.7
171.10234	3.0
173.02443	0.9
173.04301	0.8
175.00302	38.1
175.03972	2.8
175.11191	0.9
175.58337	0.9
176.00781	2.5
177.01854	1.1
177.05513	1.3
178.99806	3.3
179.03355	1.0
179.05649	0.8
179.07086	3.8
179.10698	3.9
186.48007	0.8
187.11250	2.4
189.01884	1.2
189.09184	1.1
190.02657	100.0
191.03200	6.2
191.32051	0.8
193.01413	2.7
193.05016	2.4
201.01942	1.7
201.11342	2.1
201.55070	0.8
202.02646	0.9
203.07082	1.4
205.01436	2.8
205.05022	95.5
205.12289	8.8
206.05534	8.3
206.12624	1.0
207.02950	2.3
207.06450	1.3
208.03735	1.9
209.04498	3.1
217.01456	1.1
218.02158	0.8
221.08150	4.7
223.06084	38.9
223.13396	1.6
224.06593	1.8
231.03172	1.1
233.00809	1.0
237.07675	1.1
247.06030	1.3
250.04880	2.0
265.07208	14.3
271.02509	2.0
279.24271	1.0
287.01938	1.0
289.07324	1.2
295.08395	4.0
299.02243	1.7
313.07135	1.8
315.05273	1.0
323.05582	1.3
325.09409	6.0
326.09863	1.3
351.05344	1.6
367.10468	14.0
368.10721	1.9
383.07794	3.0
384.08282	1.1
395.07968	2.2
399.11041	1.6
427.10266	11.4
428.10721	1.9
429.11914	1.1
444.10764	1.5
445.11517	3.7
531.32336	4.3
547.21893	6.3
548.22302	1.1
549.32813	2.6
559.14771	3.0
573.23248	4.2
574.22247	0.8
591.17041	12.7
591.24921	75.9
591.32861	3.9
592.25110	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	591.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.0
57.03313	3.9
58.00468	5.5
59.01253	100.0
65.00188	2.3
69.03328	3.1
71.01255	60.1
71.58018	3.2
72.99188	7.6
73.02830	6.7
75.00738	9.3
83.01276	6.4
85.02824	20.2
86.00026	2.0
87.00755	8.1
89.02321	51.0
95.01269	5.3
96.95871	2.9
97.02850	1.8
99.00767	6.6
99.04401	6.6
101.02333	33.2
111.04356	2.1
113.02331	42.4
114.02703	3.0
119.03390	24.8
124.01581	2.0
125.02339	4.3
131.03453	3.3
143.03430	6.0
151.00304	7.7
157.06458	2.2
161.04443	8.9
161.13280	19.3
171.30202	1.8
173.04440	2.8
175.03867	2.2
175.38130	1.8
178.99826	4.0
179.05536	18.4
187.11223	39.9
188.11792	2.5
199.04071	2.2
205.12282	40.0
206.12665	4.0
208.84076	1.8
225.85777	2.2
229.12302	12.1
231.10239	2.8
243.03064	3.5
247.13353	4.2
249.11313	69.8
250.11687	5.6
255.02980	4.4
270.01755	3.1
271.02454	16.1
287.01962	7.9
291.12408	4.3
299.01932	9.3
300.02750	11.7
301.03522	7.6
315.01486	11.0
316.02112	9.8
317.02780	4.1
385.18710	4.9
411.16806	11.4
429.17654	45.5
430.17807	2.1
461.07336	15.0
462.07675	2.9
463.08862	16.3
464.08578	2.5
525.11127	2.0
531.24109	6.8
549.25287	3.9
591.10986	3.2
591.25153	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	591.1725
Annotation	1,2-Bis-O-sinapoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03333	0.6
59.01252	9.8
65.00198	1.0
71.01257	5.5
72.99196	1.0
73.02812	0.7
75.00756	2.1
83.01255	1.3
85.02818	3.7
87.00765	2.2
89.02311	1.9
91.01774	1.3
93.03354	1.9
95.01289	0.9
96.95908	0.9
97.02827	0.8
101.02341	2.7
107.01328	1.0
113.02326	3.4
119.01288	7.9
119.04964	0.9
121.02838	3.3
124.01543	0.7
125.02361	1.7
130.19398	0.7
134.03644	1.4
135.04417	2.5
137.02341	1.1
147.00783	4.6
147.04388	1.3
149.02356	19.3
150.03035	0.8
151.00275	3.3
152.01108	1.6
161.02301	1.1
162.03174	0.8
163.03894	2.7
164.01071	2.6
164.04732	16.5
165.01881	3.2
165.05359	1.4
171.10367	1.4
172.92973	0.7
175.00308	37.8
176.00728	2.9
177.01903	0.8
177.05518	0.9
178.06133	0.6
178.99783	1.7
179.03487	1.5
179.07045	3.1
188.04785	0.7
189.01938	2.1
190.02660	92.8
191.03111	8.0
193.01360	1.8
201.11320	1.0
203.07246	0.6
205.05016	100.0
205.12340	1.8
206.05481	8.5
207.02965	1.1
208.03796	4.2
209.04407	1.5
211.13438	0.6
217.01469	1.2
218.02515	0.7
221.08165	4.3
222.08452	0.8
223.06087	31.3
224.06461	2.1
231.02914	0.8
232.03815	1.2
235.02628	0.7
237.07729	1.2
247.06139	5.6
250.04857	1.3
259.02377	1.0
265.07169	9.5
289.07263	0.7
295.08408	3.0
299.01834	1.0
325.09247	5.7
351.05032	1.1
353.08728	0.9
359.11487	1.9
367.10370	19.5
368.10553	1.5
370.09290	0.6
383.07935	0.6
385.11292	1.2
427.10513	5.9
444.10727	0.9
445.11249	0.9
513.30292	0.8
531.31799	5.3
549.33118	1.5
591.16986	12.9
591.24817	20.2
592.17334	1.6
592.25433	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	591.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55425	1.4
56.11329	1.8
57.06833	1.5
59.01255	19.2
69.32595	15.8
71.01253	14.5
73.02825	4.4
75.00739	9.0
83.01266	5.8
85.02824	12.6
87.00770	5.3
88.98681	3.7
89.02335	3.3
99.00779	4.9
101.02312	3.4
107.01288	5.2
109.02848	4.9
111.00769	6.2
113.02328	13.0
115.00243	1.9
117.01848	2.0
121.02878	4.8
125.02360	2.8
136.03914	1.7
142.99736	1.9
151.00285	22.4
151.03984	1.8
160.01608	1.9
163.00298	5.0
172.13998	1.7
175.02432	2.8
175.03896	2.8
178.99794	11.0
211.03955	2.7
227.03424	3.5
243.02945	8.9
245.04524	3.2
254.02396	1.8
255.02972	25.1
271.02502	37.1
271.43668	1.6
272.02856	3.7
273.04025	2.6
285.04059	2.1
289.07068	4.3
299.02090	5.3
299.99976	1.2
300.02759	73.6
301.03510	100.0
302.03815	8.8
353.06720	2.4
396.58252	1.8
447.09317	86.7
448.09796	14.6
529.79651	1.9
559.14569	3.2
591.13220	4.1
591.17114	2.8
591.26556	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69538	0.8
55.01748	0.9
55.90882	0.8
59.01255	27.1
61.98685	2.4
63.48726	0.8
64.60458	1.0
71.01252	5.8
73.02820	1.7
77.63214	0.8
78.95760	1.5
85.02810	1.2
89.02320	6.7
96.95903	1.6
98.19772	2.1
101.02326	7.2
113.02316	2.5
113.09585	2.4
119.03389	1.0
121.02859	1.9
121.10108	2.1
143.03384	1.2
161.04497	2.1
171.10178	6.5
177.12775	1.0
183.13808	1.9
185.11798	1.4
195.13799	1.5
211.13348	1.4
235.16974	7.0
253.09273	25.9
262.50214	1.0
275.20139	18.9
276.20474	1.8
291.19336	1.0
293.21231	100.0
294.21582	8.8
366.37064	0.9
428.24179	1.3
509.49942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68312	1.5
52.02898	1.5
57.03319	2.5
58.00456	6.1
58.77798	1.2
59.01257	100.0
59.74887	1.3
61.98700	6.4
63.02505	1.4
65.99921	1.3
66.30634	1.5
69.91718	5.4
69.92117	3.2
70.02879	1.5
70.46275	1.3
71.01260	64.2
72.99179	7.4
73.02802	1.8
78.29826	1.4
78.95774	1.7
83.01253	3.8
83.04890	2.2
84.07437	1.2
85.02844	9.4
85.06474	2.0
87.00768	3.9
89.02326	72.5
95.01259	4.0
98.02374	2.2
101.02332	47.0
102.02702	1.8
102.46071	1.4
107.93063	1.4
108.08074	2.6
112.89590	1.3
113.02340	31.1
119.03398	36.4
119.37278	1.4
126.09139	6.1
131.03418	3.3
138.09166	3.1
141.25258	1.4
143.03404	8.2
149.04437	2.2
156.10234	2.0
161.04449	5.5
166.08539	1.6
179.05525	15.4
184.09763	2.2
197.11786	2.0
209.11754	3.1
225.11252	2.6
225.22169	10.1
242.97124	1.6
250.11885	1.5
253.21594	2.1
253.55498	1.6
271.22806	6.2
296.25922	6.1
324.25293	2.2
366.27695	1.7
380.31821	2.4
392.31772	4.9
410.32782	45.7
411.33182	7.6
428.33691	21.2
429.34515	3.0
516.25323	1.5
590.39148	58.6
591.39319	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	589.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	29.6
61.98700	3.3
65.58469	0.9
67.88061	0.9
69.35211	5.5
69.35646	4.6
71.01263	7.2
71.04906	3.0
73.02824	1.6
78.95795	1.5
85.02827	2.1
89.02335	5.6
98.20545	2.1
100.14941	1.0
101.02343	4.6
113.02337	2.7
116.90555	1.2
119.03418	1.2
143.10687	2.0
161.04506	2.8
171.10135	1.4
223.16945	2.3
231.21130	1.3
235.08212	1.4
235.17021	20.0
253.09302	26.5
254.09598	1.3
275.20184	24.1
276.20404	1.9
293.21265	100.0
294.21558	9.8
408.43408	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.5
57.03324	6.4
58.00468	0.6
59.01254	33.8
60.01585	0.6
65.99711	0.3
67.01742	0.6
68.99686	0.9
69.03317	0.9
69.87682	2.0
71.01257	26.6
72.01599	0.4
72.99187	5.2
73.02814	3.2
75.00748	31.7
76.01083	0.4
83.01261	3.3
84.02021	0.7
85.02828	30.7
86.03162	0.6
87.00223	0.6
87.00750	7.8
89.02321	3.6
93.03331	0.3
95.01266	4.2
97.02835	0.5
98.20465	0.5
99.00759	10.0
101.02322	6.6
103.00244	1.2
108.51437	0.4
109.02839	0.5
111.00748	1.2
112.01546	0.5
113.02335	32.4
114.02661	1.1
115.00274	2.8
117.01807	1.5
119.03384	0.7
125.02340	1.3
126.36505	0.3
129.01846	0.9
131.03416	0.6
137.09676	0.4
139.00208	0.4
143.03384	0.4
149.09605	0.6
155.03357	0.4
157.01312	1.1
159.02870	0.7
161.04489	1.9
173.04462	0.6
175.02399	3.9
190.10789	0.4
190.69908	0.3
209.15375	3.0
255.02837	0.4
273.54117	0.3
300.02753	0.5
301.03461	0.6
330.08765	0.4
353.19452	0.4
371.20691	2.3
447.09177	0.6
471.22256	0.5
485.23724	0.9
503.24921	0.4
529.22638	0.9
571.24438	0.4
589.25031	100.0
590.25330	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	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.6
61.72675	0.3
72.99187	1.7
75.00752	100.0
76.01090	1.1
78.95783	0.6
103.72065	0.3
120.52998	0.4
158.55649	0.3
182.77319	0.3
279.23187	0.4
344.39871	0.3
378.32285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09229	0.3
54.66226	0.3
55.01757	1.5
57.03324	5.0
58.00470	0.8
58.37533	0.3
59.01252	29.6
60.01589	0.4
67.01746	0.9
67.68420	0.3
68.99676	1.6
69.03329	1.8
69.39465	2.8
71.01256	33.0
72.99187	6.4
73.02818	11.0
75.00747	35.9
76.55924	0.3
81.03364	0.4
83.01261	6.0
85.02825	32.9
85.99986	0.4
86.03146	0.6
87.00749	8.2
89.02325	5.6
95.01275	2.7
95.76514	0.4
96.95906	0.4
97.02828	2.5
98.19806	0.7
99.00760	12.0
101.01696	0.6
101.02327	8.5
101.02989	0.4
103.00245	1.1
109.02838	0.5
111.00775	1.3
112.01568	0.5
113.02335	31.6
114.02687	0.7
115.00256	2.9
116.01031	0.4
117.01830	2.7
119.03362	0.5
125.02350	0.7
127.03927	0.4
129.01826	1.4
131.03389	4.4
138.21985	0.4
139.00302	0.4
149.04445	0.5
157.01332	1.3
166.04987	0.6
173.04478	10.1
173.05975	0.6
174.75035	0.3
175.02417	4.6
177.27455	0.3
177.51648	0.3
191.05470	1.7
193.03456	2.0
215.05534	0.9
235.04475	1.4
258.68924	0.3
313.76950	0.3
466.62561	0.3
520.32263	0.4
529.22906	0.8
589.25000	100.0
590.25360	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	589.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	6.1
58.56315	1.7
59.01255	54.4
60.01610	2.3
61.98713	2.0
71.01259	41.0
71.57947	2.6
72.99173	7.3
73.02811	7.3
75.00314	2.1
75.00751	42.0
83.01257	6.9
84.02051	2.1
85.02829	39.2
87.00768	12.8
89.02313	8.6
93.03331	2.2
95.01260	3.2
99.00753	12.2
101.02305	8.7
109.02868	2.7
112.01524	1.8
113.02335	41.7
113.09734	1.8
115.00257	5.1
119.03403	2.9
125.02306	5.3
125.19141	2.0
127.64928	1.8
132.04422	2.7
137.02330	2.5
157.01352	3.4
161.04480	2.4
163.03911	2.4
165.01857	2.2
169.69479	1.9
173.04491	2.6
174.01614	2.1
175.02419	4.1
193.04985	2.6
209.11714	2.7
233.00882	11.3
289.07288	10.3
292.54669	2.0
299.14072	2.5
309.37158	2.1
354.90723	1.9
379.06729	3.7
411.07187	6.7
529.30164	6.4
545.22455	100.0
546.22760	12.5
547.30737	2.7
557.12708	3.6
589.27454	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	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99783	1.3
57.15312	1.3
57.45548	1.6
59.01252	23.0
61.98697	2.8
71.01252	9.9
71.57632	1.9
72.99182	1.3
75.00761	1.8
75.54541	1.5
79.03747	1.5
79.19157	1.6
83.01292	1.6
85.02821	3.8
87.00771	2.6
89.02316	6.9
94.63713	2.0
101.02321	5.8
113.02309	4.3
137.68260	1.4
152.99487	2.8
157.08528	1.7
161.04472	1.6
165.12749	12.8
171.10205	11.5
195.84396	1.8
197.11728	10.0
201.11288	6.3
209.11783	2.9
211.13318	4.2
247.20650	5.8
253.09305	20.3
270.74011	1.6
273.18503	4.7
291.19666	100.0
292.20029	7.1
399.14032	1.8
503.28574	1.7
587.30829	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	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74999	1.7
57.03326	1.9
59.01255	33.6
61.98709	4.7
70.84785	5.5
71.01261	12.8
73.02825	3.9
75.00799	2.0
76.18112	2.0
78.95773	3.9
83.01270	2.7
85.02845	6.2
87.00729	2.7
89.02336	6.6
93.87672	2.2
99.00779	3.1
101.02348	7.4
108.16148	2.0
113.02358	5.9
115.00258	2.5
152.99562	2.4
161.04408	2.4
165.12808	15.6
171.10173	9.9
193.80093	1.7
197.11842	4.5
201.11288	7.1
209.11836	2.8
211.13431	4.1
247.20677	7.5
253.09258	18.9
273.18658	7.2
291.19678	100.0
292.20068	7.5
309.20728	4.2
359.80115	1.9
371.25919	1.9
587.31696	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	587.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.4
59.01255	19.3
61.98707	13.2
71.01254	23.1
72.99194	3.1
73.02824	2.0
75.00741	2.1
78.23585	1.1
79.45484	1.0
80.96387	1.0
83.01257	6.4
85.02835	6.7
87.00757	33.5
89.02338	2.9
95.14065	0.9
96.95898	2.4
99.00739	2.5
101.02339	1.9
111.00739	8.1
111.70248	1.1
113.02344	4.9
115.00266	59.8
127.00246	1.6
128.21848	1.0
132.02098	1.5
139.00269	18.7
145.02852	1.2
149.04413	2.0
150.09148	4.7
157.01344	27.0
160.01596	1.9
175.02405	100.0
176.02747	3.1
180.62691	1.2
186.95880	1.1
200.10716	1.3
226.12379	3.5
229.84462	1.5
240.08847	1.1
258.11389	1.3
259.11996	1.5
269.12979	7.2
309.12064	1.2
321.16019	1.8
337.09326	1.5
349.19043	1.2
351.20786	1.9
367.20279	2.9
409.21289	2.0
411.19183	12.4
421.21243	1.7
426.50510	1.1
441.20380	2.2
453.20251	3.5
467.18362	2.3
469.19760	7.8
471.21982	1.1
497.19177	24.6
498.19394	2.8
507.21432	8.7
508.21909	2.1
509.19290	1.9
525.22449	12.1
526.23120	1.9
527.20477	4.8
528.19788	1.6
551.20642	2.8
569.21490	2.3
587.22595	12.9
588.22510	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	3.1
59.01257	33.6
61.98685	2.5
62.46724	2.0
69.36276	15.1
71.01252	9.5
72.18318	1.7
78.39710	2.0
78.95807	2.4
85.02817	3.3
87.00784	2.0
89.02309	5.5
89.75971	2.0
93.14513	1.8
93.97594	2.0
101.02329	7.5
101.90033	1.9
103.81876	1.7
113.02332	4.5
116.18092	1.8
121.10121	4.2
125.09615	4.7
127.11194	3.0
152.99541	2.2
162.43434	1.6
185.11749	5.3
209.11885	2.3
211.13321	3.3
220.14728	3.1
221.15422	4.9
236.10547	7.7
247.20645	2.6
253.09312	20.1
263.20187	7.2
271.02451	7.3
273.18582	5.6
274.79266	2.0
281.17770	1.9
291.19669	100.0
292.19910	8.8
293.17523	4.5
299.01929	7.7
300.02625	5.0
309.20990	2.6
441.12009	3.6
527.28925	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	585.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29342	0.2
59.01245	0.6
78.95782	0.3
89.38357	0.3
91.05457	0.2
93.03338	0.9
98.20552	0.6
110.52053	0.2
117.03359	0.4
119.04926	100.0
120.05263	4.2
163.03932	71.3
164.04266	3.1
262.08963	0.2
277.21823	0.3
409.70367	0.2
585.31946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59326	2.4
57.24547	2.1
59.01252	100.0
66.57552	2.1
67.01763	3.0
71.01273	3.4
71.57705	3.4
93.03342	18.0
96.95921	4.5
98.88568	2.1
111.04422	4.4
113.02356	2.5
119.04919	80.6
120.05217	3.0
137.02350	12.3
145.02872	11.9
149.02371	2.5
150.03114	4.3
155.03462	15.9
163.03935	76.0
164.04440	4.6
165.05457	5.8
167.20232	2.7
173.04474	29.4
178.13235	2.4
179.03366	5.1
191.05658	3.0
195.06630	5.6
215.05548	49.8
216.06038	3.3
232.55487	2.5
259.10162	2.2
319.08228	14.0
375.14331	2.9
379.10397	7.2
396.26743	2.8
481.13565	6.9
484.13007	3.0
499.14230	3.4
541.15558	33.4
542.16034	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	585.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.3
59.01262	0.9
63.37263	0.2
67.05395	4.6
69.03330	9.3
70.03683	0.2
70.60329	0.2
71.01253	0.9
71.57562	0.3
71.58241	0.2
72.99171	0.2
73.02806	0.2
75.00756	0.3
78.95768	0.3
83.04898	0.7
85.02824	0.2
85.06470	0.3
87.00723	0.2
89.02335	0.5
93.03358	0.2
96.95905	0.3
99.04412	0.2
101.02306	0.4
109.06537	0.2
111.04408	52.4
112.04742	1.6
113.02340	0.5
119.03405	0.2
119.08566	1.1
121.06483	0.4
123.04421	0.2
125.09618	6.0
125.10537	0.3
126.09911	0.2
127.04954	0.2
129.05559	0.3
137.09613	1.0
137.28174	0.2
153.09016	0.2
155.10674	0.6
165.01912	0.2
169.08603	2.9
181.08629	22.7
182.08969	1.2
191.05540	0.3
195.06544	0.2
199.09697	100.0
200.10033	5.5
223.06136	0.2
252.04921	0.2
267.07355	0.2
292.25272	0.2
370.80746	0.2
384.07825	0.2
475.68967	0.2
571.78973	0.2
572.48120	0.2
585.23523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89706	2.0
59.01253	73.7
65.03848	3.1
67.01771	4.7
69.45758	20.5
71.01256	10.6
75.00756	3.3
83.04905	3.4
85.02814	6.6
87.00756	6.3
93.03334	62.7
96.95895	9.6
98.20542	2.9
101.02293	3.3
109.02851	5.1
111.04411	7.1
113.02324	4.3
117.03357	4.1
119.04914	74.7
124.41047	2.3
137.02330	42.9
145.02861	39.4
155.03371	16.6
163.03931	70.7
166.02403	2.2
173.04471	72.6
174.04857	3.2
186.89905	2.6
191.05548	30.3
222.62683	2.1
233.06631	38.2
249.06180	4.5
267.07285	7.5
313.75302	2.2
319.08234	100.0
320.08670	11.6
325.09433	3.0
337.09241	3.0
379.10324	9.9
438.47812	2.3
481.13501	2.7
499.14648	9.9
541.15570	60.7
542.16205	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	585.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	56.6
63.71799	1.2
67.01763	4.2
67.28742	1.3
67.92455	1.2
68.54675	1.2
70.41232	1.2
70.59158	3.4
70.59572	2.9
71.01250	5.3
72.00771	1.5
80.17517	1.3
81.03367	1.6
85.02834	2.8
87.00777	3.2
89.68764	1.3
93.03339	32.4
96.95873	2.4
103.00275	2.5
111.04406	5.5
113.02348	2.3
116.92782	1.5
117.03311	6.2
119.04922	73.9
120.05285	3.9
127.03881	2.0
137.02338	13.0
145.02847	29.1
150.03175	2.2
155.03403	8.7
163.03922	62.7
164.04282	4.0
173.04478	53.2
173.05977	2.0
191.05544	15.9
195.06548	1.8
233.06628	15.4
319.08212	100.0
320.08572	6.9
325.09293	3.8
379.10315	4.7
412.74017	1.3
481.13623	4.0
494.75400	1.5
499.14597	5.3
541.15564	41.8
542.15936	6.6
583.73712	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	585.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81598	0.9
51.02321	1.0
53.41690	0.9
59.01255	26.2
60.01556	1.0
61.98704	7.7
65.52641	1.0
71.01263	10.6
71.57707	1.3
72.99174	3.1
73.02842	2.4
75.00741	2.3
78.95818	2.5
83.01253	2.2
85.02847	5.2
87.00758	1.2
87.92690	0.9
89.00230	1.6
89.02334	7.0
93.03351	1.3
99.00751	1.9
101.02327	4.7
101.54080	1.1
103.03909	1.5
108.02061	2.6
109.02844	5.2
111.00746	1.0
113.53385	0.9
119.03355	2.0
119.04917	1.0
121.02842	3.4
124.04663	1.2
125.02389	1.9
127.07582	2.2
131.03374	1.2
132.05484	1.0
139.00281	3.1
145.02803	1.1
149.02322	1.5
151.00314	1.6
152.01018	1.2
152.99512	1.5
153.01880	1.3
161.02415	1.2
163.00354	1.2
163.03915	1.4
171.10168	1.8
175.03922	1.9
185.02290	1.0
201.01935	1.9
205.04858	1.2
209.11760	2.0
215.03488	1.4
217.01360	2.6
227.03441	2.3
229.01485	1.8
242.02225	1.8
243.02902	3.1
255.02974	4.1
257.01035	1.5
271.02509	20.8
272.02896	1.9
273.13541	1.8
277.05075	1.7
281.04791	1.3
286.00592	1.1
288.02695	1.5
299.01965	12.6
300.02560	4.4
301.03625	2.1
303.05106	11.9
305.04492	1.4
309.04141	1.7
311.14972	1.7
321.03937	2.0
322.04758	1.7
329.15948	1.8
333.03922	2.0
337.03598	1.3
349.03433	2.6
365.02969	3.4
366.03601	1.2
377.02905	4.2
378.03616	2.2
381.06317	1.9
392.05142	1.8
393.02298	5.7
393.06799	1.5
394.03140	3.0
395.08023	1.6
405.02408	1.8
407.07758	8.1
408.04385	2.1
409.05786	7.5
410.06528	1.2
422.02499	1.4
423.07510	12.2
424.07751	2.6
437.05002	11.4
438.05942	5.8
452.07526	79.7
453.08276	100.0
454.08618	12.0
498.33817	1.2
585.12512	37.2
585.21826	1.4
585.28650	1.5
586.12982	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	583.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49455	0.4
59.01250	0.8
63.96097	0.8
67.03304	0.5
69.38540	3.8
71.01251	7.2
72.99155	0.5
73.02824	1.5
73.71825	0.4
78.62804	0.4
78.98466	5.1
79.95611	9.3
80.96394	62.1
85.02832	2.9
87.00777	2.7
94.97964	13.5
95.01242	0.4
96.95332	0.5
96.95898	1.3
97.02833	1.2
98.19774	0.6
99.00732	0.4
101.02311	2.6
106.97958	2.9
113.02306	0.5
118.76868	0.4
122.97490	3.1
125.02325	2.5
127.03879	0.5
131.12700	0.4
134.97482	5.0
136.99037	1.0
142.34758	0.4
148.99054	4.8
152.98563	5.2
164.98564	10.0
167.00090	0.5
200.31090	0.5
206.99635	2.1
225.00702	12.3
226.01147	0.5
255.23413	0.6
283.26398	2.4
292.80386	0.4
299.04471	2.8
315.71805	0.4
583.31573	100.0
584.31891	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	583.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	9.8
61.98707	13.5
61.99008	1.0
62.44077	0.6
69.32583	5.8
71.01262	3.5
73.02834	0.9
75.00749	0.9
83.01294	0.8
85.02840	2.0
87.00774	0.7
89.02334	1.8
92.01317	0.5
93.03350	4.0
95.01268	1.0
95.04894	0.5
98.19820	1.0
99.00749	0.7
101.02340	1.6
104.44363	0.5
105.03342	0.6
108.02072	0.6
113.02334	1.7
117.03401	0.6
119.04900	1.3
121.02845	6.6
122.03638	15.8
123.04471	0.7
124.01584	1.3
125.02363	1.1
132.02106	1.1
133.02849	1.5
134.03635	1.7
135.04358	0.8
136.01575	2.4
137.02313	0.9
145.02864	2.1
147.04315	0.6
149.02361	33.0
149.06007	0.7
150.03139	99.3
151.03508	3.1
159.04440	0.7
160.01599	2.1
161.02359	0.6
161.04515	0.6
163.03891	2.8
164.04707	6.6
165.05496	100.0
166.05823	5.7
175.03960	1.9
177.05513	2.3
179.07011	1.2
180.04208	6.9
189.26625	0.5
190.06175	0.7
190.37411	0.6
193.05006	0.9
195.06572	58.3
196.06985	3.4
203.07039	0.6
224.06694	0.6
240.07904	1.0
249.05664	0.6
251.07161	0.6
267.06873	1.2
268.07346	1.6
271.02493	0.6
271.09979	0.6
283.06271	0.7
283.09750	2.6
295.06281	0.9
295.09583	0.7
296.06967	1.1
297.11359	0.9
299.09183	0.8
300.02832	1.3
301.03531	0.9
307.09851	1.4
308.06921	1.6
308.10349	0.9
309.07590	2.0
309.10883	0.6
311.09375	0.8
312.06454	1.8
322.08337	0.9
323.09332	2.8
323.12622	0.9
324.06570	1.0
324.10034	2.7
325.10779	2.1
326.11536	5.1
327.08655	6.1
327.12024	1.0
328.09238	0.7
337.10782	1.0
338.11789	1.3
339.08716	8.0
339.12390	2.9
340.09183	0.7
341.13947	0.7
342.10977	4.9
343.11728	1.1
353.10229	0.7
354.11166	3.3
355.11664	0.8
357.13483	20.7
358.13855	2.1
361.20154	1.0
369.13425	21.9
370.13757	2.0
385.34982	0.7
421.22339	2.0
431.26196	1.2
447.09259	2.0
449.16492	0.7
449.27512	1.8
457.13162	1.2
461.15955	1.5
475.17856	0.7
487.17511	1.7
489.30511	0.7
490.16449	0.9
505.18701	8.9
506.19110	1.0
517.18726	1.7
523.34814	2.4
535.19739	38.9
536.20135	7.6
553.21100	0.6
583.20746	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	582.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	20.2
78.95783	23.0
79.69054	0.4
79.82224	0.4
80.96402	1.8
88.50022	0.4
93.55545	0.5
94.97939	0.6
96.96810	0.6
115.33195	0.5
117.58950	0.4
139.86195	0.5
152.99512	2.9
168.04272	3.3
172.45143	0.5
224.06897	7.1
242.07950	1.9
283.26447	100.0
284.26794	9.1
502.05655	0.5
508.34106	53.5
509.34378	8.3
549.90448	0.6
582.30511	3.5
583.30231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1098
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
57.62629	0.4
57.85776	0.4
59.01252	4.0
61.98702	4.3
63.02272	3.2
65.00191	5.1
71.01247	1.7
72.99164	0.4
73.02810	1.0
75.32173	0.5
83.01258	4.0
85.02842	1.3
89.02309	0.5
91.01790	1.0
92.04987	0.5
93.03365	2.2
95.01273	1.2
101.02350	0.9
107.01261	9.8
108.02105	1.2
109.02841	17.3
111.00774	1.0
113.02362	0.7
119.01233	0.6
121.02852	9.8
122.03662	0.6
123.00777	0.5
123.04395	1.0
124.01572	0.8
125.02325	1.4
134.03645	0.5
135.00798	0.8
137.02393	0.8
139.03917	1.0
147.04453	0.7
148.01590	0.9
149.02350	1.5
150.03133	1.0
151.00278	41.6
152.01073	2.3
153.01840	16.6
154.02156	0.8
159.04420	1.3
160.11462	0.5
161.02327	0.9
163.00279	6.4
163.03903	1.5
164.01060	1.4
165.01848	0.7
165.05498	1.4
169.01306	2.9
169.29498	0.5
175.03905	1.2
178.99794	22.8
180.00098	0.8
183.04459	1.2
185.05951	0.6
187.03897	1.1
190.99800	0.8
192.00546	0.7
193.01347	0.9
193.04999	0.7
195.06561	0.5
199.03949	1.1
201.05476	1.3
203.03487	1.0
205.04964	1.0
211.03963	2.0
213.01935	0.6
213.05316	0.4
215.03340	0.5
226.02786	0.7
227.03491	2.9
229.05006	2.6
239.03329	0.9
243.02975	3.8
245.04494	3.2
255.02975	14.2
256.03516	1.8
257.04559	1.0
271.02475	20.7
272.02884	2.6
273.04099	4.1
281.06705	4.0
283.02487	3.6
285.03925	0.5
299.01950	0.6
300.02740	33.2
301.03516	100.0
302.03900	7.0
392.08847	0.5
429.08371	1.1
447.09454	5.5
448.09717	0.9
547.47693	0.5
582.23108	0.8
582.32001	0.5
583.10925	71.3
584.11237	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	583.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	20.9
61.98709	7.2
64.56812	0.9
69.03302	1.2
69.23412	5.2
69.23837	6.6
71.01250	6.0
72.99190	1.6
73.02798	1.7
75.00728	1.8
78.95794	2.3
81.94521	1.0
83.01216	1.2
83.68219	1.2
85.02825	4.1
85.89764	0.9
87.00754	2.9
89.02316	4.0
93.03340	6.2
95.01289	1.2
95.04908	1.3
96.95931	1.7
99.00747	1.9
101.02332	3.3
107.01248	1.1
107.04897	2.0
108.02023	2.1
109.02837	2.0
113.02333	3.9
119.04919	2.9
121.02853	15.5
122.03635	14.2
123.00742	1.5
123.04441	1.5
124.01568	1.1
125.02300	2.1
131.02562	1.1
131.03441	0.9
133.02802	2.2
134.03619	2.9
135.04408	12.5
136.01550	13.5
137.00655	1.2
137.02327	3.8
143.04575	0.9
145.02850	1.5
147.04407	1.5
149.01224	2.0
149.02357	31.9
150.03137	99.8
151.00381	5.2
151.01353	1.0
151.03941	13.3
152.00943	0.9
152.99501	3.4
154.02547	1.5
159.04355	1.6
160.01643	1.6
161.02364	1.9
161.05988	1.1
163.04016	2.3
164.04701	5.5
165.05493	100.0
166.02635	10.2
166.05791	5.6
167.03392	2.9
172.05302	1.6
175.03934	5.6
179.03410	1.0
180.04195	7.1
181.05003	11.6
181.08640	1.2
189.05490	5.0
190.06268	5.5
191.05461	1.0
191.07004	1.3
192.04225	1.0
193.01427	1.2
193.05067	1.3
195.06552	49.9
196.06938	1.9
205.08559	1.8
211.13234	1.3
228.57083	1.0
229.29422	1.1
266.74081	1.0
282.05386	1.8
329.10248	4.0
341.10373	1.4
342.10916	2.3
356.12512	2.4
357.09814	1.5
357.13501	11.7
358.09735	1.3
358.13800	1.1
369.13211	1.1
372.12109	1.5
373.12915	2.6
386.14005	1.6
387.14532	26.8
388.14731	1.8
391.04944	1.4
392.74295	1.0
505.18616	5.9
506.18796	1.3
517.18604	1.8
535.19733	43.9
535.28143	2.1
536.19720	7.0
583.08704	2.6
583.21283	2.4
583.28131	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	581.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
57.03321	1.1
58.00460	0.8
59.01254	14.2
61.98703	7.3
67.83870	0.5
69.03333	1.0
71.01257	14.7
72.99183	3.0
73.02831	5.3
75.00746	2.5
78.95766	0.9
81.03365	0.5
83.01250	3.2
85.02826	6.8
87.00760	2.3
88.45375	0.4
88.98679	0.7
89.02327	3.4
90.69145	0.5
95.01258	1.4
97.02845	1.1
98.95948	0.5
99.00757	3.8
99.08043	0.6
101.02322	6.2
109.02812	0.6
111.00773	0.8
113.02348	5.2
119.03381	0.6
119.04925	0.9
123.00819	0.6
124.01581	0.8
125.02357	3.2
129.01846	0.5
134.03630	1.0
141.12717	0.8
145.02818	0.5
149.02412	0.5
151.00291	0.5
151.03871	0.4
160.01566	0.6
163.03929	0.6
175.03922	0.8
178.02675	0.5
183.20688	0.7
189.24971	0.6
191.05511	0.6
193.04970	1.2
207.49948	0.6
211.13411	0.6
255.02806	0.9
269.21265	1.5
271.02399	1.0
285.04065	0.7
285.20688	0.9
287.22278	25.4
288.22647	2.2
300.02682	2.0
301.03424	0.9
301.23932	0.6
315.05185	1.3
329.23248	1.0
340.15051	0.5
377.96155	0.5
431.26538	5.7
432.27087	0.7
449.27548	31.9
450.28024	4.2
539.30792	0.8
545.16296	0.9
555.19971	0.5
563.31311	0.7
581.31775	100.0
582.22766	1.2
582.32111	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	581.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.5
57.03325	1.0
58.15183	0.4
59.01253	15.4
61.98700	7.7
69.03353	0.6
71.01257	14.6
72.99172	3.1
73.02818	4.8
75.00754	2.1
78.37292	0.5
81.03309	0.7
83.01244	2.4
85.02830	6.0
87.00755	2.4
88.98676	0.8
89.02318	2.9
93.03381	0.7
95.01265	1.9
99.00768	4.1
99.08045	1.1
101.02320	9.4
107.01364	0.5
111.00784	1.6
112.01567	0.7
113.02335	4.8
117.03346	1.3
118.74898	0.5
119.04917	24.6
125.02358	2.6
134.03635	0.5
135.04282	0.5
137.02377	0.7
145.02859	5.2
165.32220	0.5
175.03918	0.8
179.11748	0.6
193.04991	1.1
211.13220	0.6
237.09209	0.7
255.02711	0.7
269.21219	2.0
287.22287	23.7
288.22577	2.4
299.89453	0.7
300.02670	1.0
316.16577	1.4
329.23288	0.8
342.14587	4.9
419.19098	0.5
431.26443	5.9
436.22055	1.0
449.27545	32.9
450.27768	4.8
462.20270	10.0
521.29431	1.2
539.30499	0.9
581.31769	100.0
582.32788	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	581.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78732	0.4
59.01255	100.0
60.01587	1.4
63.95898	0.5
69.03339	0.5
69.92811	1.7
69.93226	1.7
71.01260	4.5
73.02831	1.5
83.01258	1.3
85.02838	1.8
89.02326	0.8
94.51574	0.6
97.02821	0.8
97.06506	0.8
99.00797	0.5
101.02336	2.7
109.02843	1.2
109.51408	0.6
113.02353	2.0
123.04417	1.3
123.08062	2.5
125.02316	1.1
127.26868	0.5
131.04935	2.8
132.05746	2.8
133.06508	2.8
137.02374	1.3
151.03935	0.7
157.98062	0.5
161.04507	3.0
163.11224	1.1
164.04810	1.4
165.01833	0.8
175.11217	1.1
191.10945	0.5
205.05087	0.6
213.10420	2.2
239.11842	3.5
240.12323	0.8
241.13477	1.6
247.06174	0.6
269.19278	0.9
281.19312	0.6
285.12445	7.2
287.20206	3.2
299.20129	6.0
317.21246	24.0
318.21591	2.2
479.26828	2.2
490.94742	0.6
501.60172	0.7
521.27496	0.9
537.25403	1.1
581.27643	8.7
582.28082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.0
63.96101	1.7
66.61457	0.6
69.53518	4.5
71.01255	9.2
73.02806	2.5
76.10912	0.6
76.24767	0.6
78.98464	8.7
79.95609	13.8
80.96394	87.4
85.02811	4.3
87.00745	3.8
94.97967	22.7
96.95877	1.3
97.02826	1.3
98.19756	1.4
101.02323	3.8
101.23381	0.6
106.97974	4.1
107.90364	0.8
111.00814	0.6
113.02347	0.9
122.97473	6.3
125.02396	3.3
127.03877	1.0
134.97466	5.8
136.99074	1.6
148.99051	7.4
152.98544	7.8
164.97260	1.2
164.98549	13.8
182.99629	3.5
206.99620	3.8
225.00720	23.1
243.01720	2.2
281.24820	3.8
299.04391	3.5
307.40042	0.7
344.68033	0.7
433.86877	0.7
488.80020	0.7
571.20685	0.8
581.30011	100.0
582.30310	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	581.276
Annotation	Aralionine A
Peak:m/z	Relative Intensity
50.83725	0.8
51.23212	0.8
57.03326	1.5
59.01248	2.4
64.95704	0.9
69.03331	1.0
69.67190	0.9
70.01289	3.9
72.88385	0.7
75.73052	0.8
80.15121	0.9
83.01262	5.2
83.78664	0.9
93.03339	2.1
95.01258	1.4
97.02827	5.9
98.20564	1.0
107.04890	1.8
108.02054	1.4
109.02852	11.9
121.02850	3.6
122.03661	8.5
123.04436	12.6
124.01588	1.1
124.19560	1.0
125.02346	3.5
135.04427	4.6
137.02364	26.1
137.05962	0.9
138.03081	1.3
139.03931	2.8
146.03645	1.2
149.02374	11.5
149.05948	1.8
151.03935	12.3
152.04648	1.5
154.02582	1.2
159.04408	1.9
161.02423	5.0
161.06010	4.1
162.03154	2.7
163.00330	10.2
163.03929	2.6
164.01076	5.8
165.01804	3.1
165.05414	1.2
165.09106	2.1
165.12833	1.7
175.04008	1.9
176.04729	1.0
177.01816	3.1
177.05513	2.6
178.02644	3.8
179.03430	4.0
187.03955	1.2
188.04585	1.0
191.03500	1.3
191.07130	1.1
201.05551	2.2
203.03317	1.4
203.07082	3.1
205.04994	8.3
211.13380	1.1
213.05637	1.2
215.07130	3.8
219.06633	1.1
231.02924	1.6
247.06171	4.8
301.07043	2.8
303.15829	1.2
327.15918	1.1
331.22894	1.8
333.20731	2.5
335.78247	0.9
345.17026	2.8
361.16513	8.7
362.17065	1.7
371.14975	1.5
389.16058	13.0
429.22672	3.6
494.19016	1.1
512.20435	7.5
513.20605	1.6
519.27246	2.2
533.75793	1.1
537.28717	3.3
538.29333	1.4
563.26575	3.3
581.27588	100.0
582.27942	19.0
582.36884	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	581.2755
Annotation	Aralionine A
Peak:m/z	Relative Intensity
57.03320	1.1
58.26846	0.7
59.01255	1.8
71.34945	0.9
71.35307	1.4
75.31114	0.7
81.03345	0.9
83.01255	5.4
93.03330	2.2
93.79342	0.8
95.01257	1.6
95.04887	1.9
97.02831	4.4
107.04903	1.7
108.02028	1.5
109.02835	11.1
115.28858	0.7
117.03339	1.1
119.05007	0.8
121.02832	4.8
122.03621	7.9
123.04420	12.8
124.01577	1.7
125.02333	3.6
133.02832	0.9
135.04420	5.2
135.08023	1.0
136.01555	1.0
137.02345	24.7
138.03091	0.9
139.02969	0.7
139.03914	4.3
145.02849	1.2
146.03647	1.5
147.04424	0.8
149.02353	11.4
149.06010	1.8
150.03050	1.0
151.03917	15.5
152.04678	1.6
154.02628	1.6
159.04408	2.8
161.02399	5.2
161.05998	5.4
162.03111	3.2
163.00270	10.4
163.03897	2.7
164.01085	6.4
165.01823	3.2
165.05473	2.4
165.09073	1.3
175.03931	1.9
175.07558	1.1
177.01834	3.4
177.05473	2.1
178.02644	3.1
179.03401	4.8
187.04004	1.7
188.04729	1.0
191.03473	1.1
191.07069	1.1
201.05478	1.6
202.06313	1.1
203.03491	0.8
203.06993	2.6
205.04985	8.8
205.08849	0.8
206.02095	1.2
207.10258	0.7
215.07100	4.5
217.04979	0.9
220.03690	1.2
221.08112	2.2
231.02858	1.7
243.06534	1.6
247.06117	6.4
257.08173	1.1
275.09186	1.0
301.07242	2.5
309.15192	1.1
315.19540	0.9
327.15985	2.9
331.22794	2.0
333.20596	3.3
345.17114	3.1
347.14938	0.9
361.16617	7.9
362.17090	2.2
371.14923	1.8
375.81097	0.7
386.06097	0.8
389.16071	13.4
390.16360	1.5
403.17581	1.3
429.22839	2.9
465.97345	0.9
512.20618	8.0
519.27637	2.8
537.28870	3.9
563.26331	2.9
581.27557	100.0
582.27942	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	581.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22694	4.1
58.34031	3.2
59.01252	35.6
61.98700	5.2
65.33360	3.5
71.01257	14.0
73.02818	4.1
85.02847	5.7
89.02309	11.0
89.39376	3.8
101.02359	7.3
108.74092	3.5
113.02324	12.1
122.03741	4.0
154.70947	3.6
161.04405	4.4
209.11768	9.8
211.13335	38.3
253.09245	35.2
291.19714	23.3
309.20694	100.0
310.21127	17.0
545.29572	58.4
546.29944	11.0
581.27509	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	581.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91757	7.5
59.01264	51.1
59.03690	7.5
67.39591	6.3
70.88722	15.3
70.89039	8.1
89.02337	10.6
99.11485	9.3
211.13402	19.7
253.09319	26.5
291.19748	19.2
309.20764	100.0
310.21146	15.9
372.08405	10.3
395.69836	8.2
545.29651	35.1
581.27301	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	581.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.7
55.95016	1.1
57.03326	3.2
58.00468	4.8
59.01253	100.0
69.30614	9.2
69.31028	2.2
71.01255	66.1
72.99189	7.3
73.02826	2.7
75.00747	3.2
83.01266	4.2
85.02824	12.2
87.00748	5.2
88.98652	1.5
89.02319	81.3
90.02682	1.2
93.03394	1.2
95.01266	5.5
96.95872	2.0
99.00769	2.1
99.04465	1.1
101.02328	39.4
103.00315	1.1
113.02333	28.7
119.03397	39.4
123.00773	1.5
125.02335	1.8
131.03398	3.7
137.02341	3.1
138.03061	1.6
143.03432	8.2
149.02275	1.2
149.04463	3.3
151.00296	1.5
151.03938	2.8
153.05507	2.0
159.04408	1.3
161.04491	6.6
167.10707	2.2
174.03134	1.6
175.03941	5.0
177.05479	3.0
179.05522	11.6
180.04260	1.1
187.03931	5.8
188.04588	1.3
189.05429	2.3
190.02618	1.1
190.06293	3.0
195.06584	1.3
199.07605	1.5
202.06271	2.5
203.06985	2.2
204.08032	1.2
205.05016	8.5
205.08719	2.3
219.06688	1.4
220.07341	5.1
235.09703	6.1
249.06181	1.9
254.11679	1.2
271.02512	2.2
273.03000	1.3
300.02597	1.7
301.03058	1.4
302.03378	2.3
309.07849	1.0
316.02286	1.5
317.02969	1.4
324.59311	1.1
331.17514	1.4
338.50507	1.2
341.10123	6.9
346.88016	1.1
356.12802	2.6
371.15002	3.5
380.04010	1.2
386.13583	2.1
389.16187	3.3
401.16034	43.5
402.16595	5.4
581.14233	1.7
581.24213	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	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.2
56.43128	1.1
57.03314	1.7
58.00476	3.8
59.01255	88.6
59.78639	1.0
71.01257	62.5
72.99191	4.5
73.02821	1.9
75.00749	1.4
83.01276	2.7
85.02827	9.7
87.00763	4.7
89.02320	100.0
95.01272	4.0
99.00787	1.2
101.02328	38.8
102.10173	1.1
108.08899	1.1
108.31859	1.0
113.02340	28.7
119.03395	43.5
131.03416	4.3
137.02364	1.4
143.03389	8.9
149.04463	3.3
151.03923	2.6
152.04712	1.1
161.04466	6.5
167.10765	1.8
175.03941	4.7
179.05563	14.1
187.03940	3.7
189.05447	1.7
190.06320	2.2
199.07837	1.1
203.06987	1.8
205.05023	4.2
205.08659	1.9
219.06592	2.7
220.07385	6.9
235.09731	6.5
249.06039	1.7
328.30212	1.0
331.17484	1.5
341.10367	6.5
356.12650	2.9
363.26642	1.3
371.15070	3.0
382.76138	1.1
386.13739	2.0
389.16043	3.4
401.16098	52.5
402.16541	7.0
581.24268	18.7
582.24847	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66189	1.3
55.01752	1.8
57.03309	5.1
58.00470	1.6
58.60300	1.2
59.01252	42.6
63.36441	1.2
67.01758	1.4
68.99700	2.2
69.03286	2.1
71.01257	42.2
72.98827	1.3
72.99149	7.3
73.02816	4.7
75.00757	22.5
85.02826	27.4
85.09480	1.2
87.00765	9.3
89.02320	24.5
95.01274	4.9
96.95880	1.5
97.02798	1.5
98.19762	2.8
98.45284	1.4
99.00764	13.9
101.02303	1.7
103.00259	2.4
113.02335	29.4
115.00207	1.9
119.08549	9.3
126.66501	1.4
129.01805	1.6
131.03421	2.1
163.07545	3.6
165.09058	1.4
175.02406	1.8
229.68828	1.6
231.05234	2.0
249.06119	33.4
250.06248	1.4
251.59889	1.5
267.07193	13.7
313.12997	2.1
331.14273	1.4
551.19696	15.2
552.20020	2.2
563.19843	58.6
564.20160	8.1
581.20856	100.0
582.21503	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11198	1.4
55.01751	1.5
56.19436	1.4
57.03321	7.6
59.01255	43.9
61.98664	1.7
63.47386	1.4
65.00208	1.7
68.99692	1.7
69.03307	2.3
71.01259	41.2
72.28362	1.5
72.99187	9.9
73.02817	7.1
75.00745	19.8
83.01252	6.6
85.02827	32.6
87.00760	11.3
89.02326	19.4
93.03323	2.5
95.01276	6.7
98.20501	3.5
99.00758	14.2
100.21881	1.4
101.02319	12.4
103.00254	4.1
107.01253	2.8
107.04910	1.7
109.02792	2.1
111.00774	3.4
113.02344	30.3
115.00241	3.2
117.01830	3.2
119.03393	4.4
123.00768	3.0
124.01555	3.7
129.01843	3.6
131.03412	2.9
137.02361	4.3
137.09566	1.8
138.03114	4.1
139.00235	1.8
139.03874	2.0
149.04507	1.7
150.03107	3.2
151.00301	14.7
152.01048	6.5
153.01825	3.1
153.05508	3.0
157.01309	2.4
161.04515	1.8
162.49327	1.5
165.05452	1.8
175.02391	3.1
175.03908	3.6
178.99843	2.5
179.21083	1.5
181.01334	1.6
181.08568	6.9
183.10222	2.0
187.03993	2.6
191.01888	3.4
191.05542	1.7
193.01486	1.6
193.03462	4.5
193.05086	2.2
195.06551	4.4
199.04030	1.8
201.11299	1.6
215.03500	2.9
216.04280	1.5
223.06111	3.0
229.74805	2.0
231.05141	1.6
233.08124	1.8
243.02965	2.6
249.06128	23.5
267.07227	15.2
271.02441	4.4
272.03271	51.7
273.04074	7.6
315.14487	4.6
327.05438	1.8
327.12247	2.0
331.14032	11.8
355.11957	1.6
358.10428	1.9
359.11465	1.8
371.11472	3.2
373.12897	3.0
386.13925	2.2
403.15961	1.7
404.14957	1.9
417.08344	2.3
419.17413	12.8
431.15671	2.3
433.17017	5.3
449.78052	1.6
463.08844	1.9
563.19446	3.2
581.21417	100.0
582.21649	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31413	3.0
59.00953	4.7
59.01254	89.1
61.98706	12.4
69.03329	6.5
69.30576	10.0
69.31000	24.2
71.01257	86.7
72.99201	5.7
73.02833	9.1
81.03348	6.7
83.01285	6.9
85.02832	16.3
87.00752	4.5
88.98685	7.8
89.02322	79.0
93.03339	75.2
93.03912	4.2
94.03673	3.9
95.01283	7.4
96.95927	3.7
97.02840	13.1
97.40409	3.5
99.00777	6.1
101.02348	21.5
107.04903	5.7
113.02333	20.3
119.03429	3.1
121.02855	92.2
124.01576	3.8
125.02341	37.1
131.03375	19.0
137.02345	87.7
143.03426	5.0
149.04503	26.4
149.99454	3.5
160.01707	2.9
168.00537	7.6
191.05571	11.1
197.06110	10.0
199.07613	6.6
204.54327	3.0
227.07095	65.2
228.07530	4.9
233.06607	8.2
243.02765	3.5
271.02509	4.1
281.06708	12.5
287.22235	36.4
293.08804	33.9
302.16809	3.5
382.32111	3.2
413.10959	25.1
415.12579	4.7
431.26819	4.0
449.27695	29.8
450.27353	3.5
581.10089	4.4
581.18542	4.8
581.31818	100.0
582.32037	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71136	1.1
55.01757	1.9
57.03331	5.7
58.00471	2.2
59.01252	32.1
68.99670	2.4
69.03329	2.8
69.39073	3.6
69.39500	5.2
71.01254	34.5
72.99186	8.6
73.02829	6.2
75.00747	16.8
83.01250	2.7
83.94952	0.9
84.80238	1.0
85.02831	27.1
87.00751	9.3
89.02322	12.8
91.03918	1.1
93.03307	1.0
95.01258	5.3
99.00759	11.2
101.02325	4.4
103.00243	2.9
109.02870	1.7
111.00758	2.5
113.01519	1.5
113.02330	26.1
114.02647	0.9
115.00269	2.9
117.01827	3.1
119.03378	1.5
119.08566	2.3
124.01598	1.4
129.01852	5.4
131.03407	2.1
137.09641	1.9
149.04410	1.4
151.00282	3.3
152.70679	1.0
153.01877	1.4
153.05478	1.1
155.10672	2.1
157.01302	1.5
175.02356	2.3
181.08620	9.5
183.10181	3.2
191.01918	5.5
193.03477	3.1
195.06549	1.2
199.09732	1.3
249.06129	24.6
250.06485	2.4
267.07211	19.4
272.03299	13.4
273.03885	1.7
315.14435	1.5
331.14008	13.3
333.15329	1.3
356.73611	1.0
403.15979	2.6
419.17291	2.0
431.15512	4.0
433.17169	7.3
451.18167	1.3
563.19635	5.1
581.20923	100.0
582.21252	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	581.1828
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01252	7.2
59.84553	1.3
71.01246	5.4
71.50388	1.2
78.95779	100.0
83.01249	1.5
87.00751	4.4
89.02335	2.4
96.95895	8.3
96.96857	4.9
98.95474	3.4
99.92476	11.2
101.02323	2.6
113.02344	3.3
115.91961	33.2
116.91994	1.7
116.92743	27.0
117.92793	1.7
119.58886	1.1
120.96848	1.2
139.59099	1.2
142.94298	1.5
150.97929	3.2
152.99489	26.7
163.89671	2.0
164.90483	2.7
171.00536	12.3
172.95435	6.7
178.88350	2.3
179.89157	38.9
180.89977	27.4
181.90625	4.2
194.87827	1.6
196.89426	53.0
197.89481	3.3
204.90047	1.6
205.90701	4.8
206.91527	2.7
208.89488	2.1
212.88879	1.3
221.90393	2.0
234.90988	1.3
235.91853	11.4
236.92575	30.8
237.92719	1.5
252.92119	3.3
253.92896	2.2
255.23293	5.1
256.23654	3.9
269.24997	1.8
270.25269	2.5
270.93192	2.7
276.95758	1.7
278.93741	4.1
281.24817	3.8
282.25241	2.4
292.95334	2.1
309.95627	3.0
310.96286	7.7
341.10828	1.2
343.11499	1.8
407.12231	1.2
409.16507	1.7
473.14081	3.9
490.14322	7.1
507.33203	1.7
533.16132	2.3
545.16034	4.4
563.17267	3.9
564.17407	2.1
581.18262	51.7
582.18652	10.8
595.42151	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.2
57.03335	0.6
59.01260	3.0
65.00198	0.9
65.03854	0.2
65.79771	0.2
68.99661	0.2
69.03326	0.5
69.32092	0.4
69.32503	1.8
71.01259	5.2
72.99197	1.6
73.02837	0.6
75.00757	3.4
80.02570	0.6
81.03332	0.3
83.01302	0.3
85.02836	5.0
86.85553	0.2
87.00758	1.6
89.02351	0.7
91.01776	15.8
92.02122	0.3
95.01270	1.6
97.02863	0.5
99.00763	1.7
100.30183	0.2
101.02347	0.6
101.88397	0.2
103.00266	0.7
107.01278	0.3
107.04942	0.5
108.02064	17.6
109.01758	0.2
109.02882	5.2
111.00774	0.2
113.02346	6.0
115.00286	0.6
115.68279	0.2
117.01858	0.3
120.05463	0.2
121.02845	0.9
123.00784	6.1
124.01563	0.4
125.02325	0.3
129.01830	0.3
133.02843	0.2
135.00792	14.1
136.01114	0.4
137.02367	3.2
152.01074	17.7
153.01709	0.8
169.06554	0.2
175.02428	1.4
191.03389	0.3
193.03491	0.8
197.06036	1.4
199.07578	0.5
202.27962	0.2
213.05533	1.3
214.93213	0.2
215.07143	0.8
225.05458	0.3
241.05054	0.3
243.06622	100.0
244.06955	6.9
244.09521	0.3
315.07132	0.3
337.07794	2.1
347.90503	0.2
368.56525	0.2
405.11932	4.6
406.12198	0.4
429.10498	0.3
473.09415	0.4
581.15112	8.5
581.28644	0.3
582.15094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84786	0.6
55.01759	1.6
57.03320	3.0
57.52898	0.6
59.01253	10.8
68.99681	1.2
69.03329	20.4
71.01255	25.5
72.99184	8.1
73.02820	1.9
75.00748	31.0
79.01789	2.8
81.03339	1.5
83.01273	1.3
85.02827	21.5
86.03172	0.8
87.00746	6.9
88.98685	1.1
89.02333	4.5
93.03336	0.7
94.42915	0.7
95.01257	6.0
97.02827	11.8
99.00758	23.1
101.02344	3.3
103.00239	0.8
105.29398	0.6
107.01276	8.2
108.02055	54.5
109.02876	10.3
111.00760	2.6
113.02334	24.2
115.00261	4.0
117.01836	2.2
119.03345	1.0
121.02844	2.0
123.00740	3.1
125.02345	21.1
129.01845	0.8
131.03432	0.8
135.00778	28.4
136.01219	1.1
137.02341	3.7
139.00247	1.4
143.03409	1.5
151.00261	6.9
151.03870	1.5
152.01059	100.0
153.01857	9.1
157.01353	5.5
161.04488	2.3
163.00301	1.3
163.03883	3.3
165.72441	0.6
173.04430	1.7
175.02428	5.3
197.06018	2.4
207.03001	0.8
207.95929	0.7
213.05336	0.8
217.03488	2.5
242.05835	3.5
243.06599	36.1
244.06953	2.7
277.05588	5.3
297.06134	1.1
315.07184	14.0
319.06726	1.5
337.07663	5.0
357.08310	1.0
395.06424	0.6
405.11792	2.1
427.08795	1.5
429.10327	11.7
430.10690	1.4
463.62228	0.7
473.09311	16.7
474.09674	1.4
491.21411	1.1
521.13275	1.3
521.32941	0.7
563.14087	3.0
581.15125	72.5
582.15521	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	580.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48645	0.7
59.01258	21.8
71.01264	1.2
73.02769	0.7
75.37978	0.6
78.95783	35.4
78.98486	0.7
79.95616	0.9
80.96407	3.5
82.21185	0.6
89.02323	0.7
94.97958	1.3
96.95900	6.3
96.96851	1.0
98.95509	0.6
99.92454	1.7
101.02317	0.9
111.02631	0.6
113.02388	0.7
115.91974	3.8
116.92778	3.9
134.11131	0.6
138.58711	0.6
152.99478	5.7
168.04233	2.6
171.00552	1.5
179.89146	5.3
180.89990	2.9
181.90681	0.7
196.89423	6.5
204.95236	0.6
224.06871	7.2
225.00801	1.5
236.92497	2.5
242.07910	1.8
255.23245	1.6
281.24884	100.0
282.25177	9.4
282.28049	0.7
341.10928	0.7
342.11334	1.0
506.32541	49.7
507.32642	5.7
580.29053	1.6
581.18414	7.1
581.28864	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	581.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.7
57.03335	3.9
58.00460	2.1
59.01251	37.0
60.01592	3.7
61.01673	1.1
65.00186	2.2
67.01745	1.3
68.99683	2.4
69.03319	2.0
71.01254	33.5
71.57869	0.6
72.01588	4.9
72.99180	8.8
73.01662	0.4
73.02431	0.8
73.02820	8.3
73.99516	0.8
74.03133	0.9
75.00747	24.0
76.01084	1.6
77.01173	0.9
81.03340	2.2
82.03650	0.5
83.01255	4.3
83.04902	0.9
85.02826	28.1
86.03162	5.0
86.37210	0.5
87.00755	7.9
87.03244	0.7
88.01105	1.0
88.82239	0.4
89.02321	8.2
90.02641	0.8
91.03899	0.4
93.03355	1.2
95.01250	5.3
96.01598	1.2
97.02833	1.2
99.00160	0.9
99.00761	11.1
99.04379	1.2
100.01079	2.1
100.04731	0.5
101.01234	0.8
101.02328	5.1
102.02635	0.7
103.00241	2.3
103.02786	0.4
103.03875	2.6
104.00598	0.5
104.04166	0.7
106.00484	1.2
107.01276	1.4
108.02058	1.4
109.02870	2.9
109.99974	0.8
111.00771	2.8
111.04415	0.5
113.02336	20.9
114.02657	3.5
115.00246	2.2
115.02714	1.2
117.01814	2.4
117.85828	0.5
118.02135	0.6
119.03374	0.8
119.24260	0.5
121.02835	1.2
121.10130	2.9
122.10448	1.6
123.00746	1.7
123.12573	0.4
124.01576	1.0
125.02314	1.5
126.56600	0.5
127.03900	0.8
129.01822	1.7
136.98708	0.6
137.02350	1.0
137.05910	0.6
139.00270	2.3
143.04921	0.8
146.05345	0.4
147.04410	0.5
148.01567	1.2
149.02345	1.3
149.99489	1.2
151.00267	6.1
152.01038	2.5
153.01833	0.8
153.98993	0.8
154.99763	2.3
157.01291	1.5
159.04474	0.6
161.02335	1.1
163.00246	1.1
163.03880	0.6
164.98177	0.7
165.09090	1.7
165.98987	0.7
166.09448	0.9
166.99791	0.8
167.10693	3.9
168.00545	0.9
168.11011	4.0
169.01299	1.3
171.04317	0.5
175.02351	2.1
175.03770	0.6
176.02713	0.8
177.01830	0.6
177.98943	1.6
178.99780	6.7
180.00110	0.7
181.98517	0.8
187.03935	1.7
189.01796	0.6
191.03397	0.6
192.00606	0.7
193.01273	0.8
194.99255	1.0
199.03946	1.0
201.01761	0.7
203.03375	1.7
204.00635	0.5
205.04913	1.0
205.06950	1.0
206.99294	0.5
208.00067	0.6
215.03468	1.7
217.01414	0.7
222.98912	0.7
227.03319	0.8
231.02823	1.3
231.05104	1.5
233.04509	2.1
242.02000	0.7
243.02921	3.4
244.03406	1.7
249.06136	11.5
250.06474	7.4
251.06602	2.6
255.02975	4.1
256.03333	3.0
257.03635	1.5
259.02472	1.5
261.04059	1.1
267.07159	4.4
268.07550	2.3
269.07404	1.2
271.02481	11.6
272.02759	7.0
273.03018	4.6
287.02039	8.3
288.02557	2.1
289.03461	1.1
299.02127	0.5
300.02740	14.3
301.03119	15.4
302.03296	10.5
303.04117	1.1
314.00620	0.8
315.01465	19.3
316.01846	1.9
329.15933	1.4
330.16370	2.7
331.16711	0.8
332.01755	4.5
333.02487	2.3
401.07166	1.3
417.17520	1.1
418.18188	3.2
419.18018	1.5
451.09540	0.6
519.07721	1.0
537.08820	8.3
538.09332	0.8
562.22028	2.1
563.22430	1.8
580.14630	4.8
580.23230	100.0
581.14124	16.7
581.23462	75.4
582.14539	1.0
582.23969	1.6
584.69775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12834	0.3
59.01256	14.1
61.98706	0.7
63.96120	0.4
71.01255	1.0
78.95782	7.2
78.98468	1.3
79.95615	2.8
80.96397	14.5
82.95982	1.0
83.75650	0.3
85.02832	0.4
87.00709	0.5
94.97976	2.6
96.95889	0.4
98.19650	0.6
101.02334	0.7
106.97979	0.4
111.28145	0.4
122.46141	0.3
122.97480	0.6
125.02371	0.6
134.97490	0.7
148.99046	0.8
150.11034	0.3
152.98468	0.8
152.99519	1.4
159.77380	0.4
164.98552	1.6
168.04211	1.0
169.12381	0.4
179.89142	0.4
180.89893	0.5
196.89377	1.0
224.06866	0.7
225.00641	2.6
226.00986	0.6
242.07903	2.2
281.24872	100.0
282.25220	9.2
299.04413	0.5
321.95230	0.4
431.67548	0.4
506.32516	23.4
507.32895	2.8
580.28833	18.9
581.18829	0.6
581.28418	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	579.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68008	0.5
53.69649	0.4
59.01249	5.2
59.42897	0.5
61.98716	0.9
63.96105	1.8
68.52827	0.6
69.03331	0.9
71.01257	7.4
73.02810	1.1
78.95777	2.2
78.98466	6.9
79.95611	12.0
80.96394	79.4
85.02817	3.9
87.00306	0.5
87.00732	3.0
94.97964	17.4
96.95882	8.3
97.02834	1.6
99.00779	1.0
100.46926	0.5
101.02335	2.9
106.97970	3.8
112.25001	0.6
112.34476	0.6
113.02383	0.5
122.97466	3.7
125.02334	3.2
127.03869	0.9
127.48800	0.5
134.97476	6.7
136.99074	1.3
148.99037	5.4
152.98514	6.2
152.99529	0.9
164.98547	13.1
168.04175	0.6
185.97675	0.6
206.99557	2.7
225.00687	14.5
229.60527	0.7
255.02762	0.6
279.23288	2.8
281.24847	25.4
299.04352	4.3
359.33237	0.5
506.32498	6.1
579.28448	100.0
580.28796	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	579.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.1
57.03312	3.4
59.01254	31.2
61.98690	2.4
63.36977	0.7
67.01756	0.8
68.85922	0.8
68.99695	1.3
69.03336	2.2
71.01255	19.7
72.01572	0.8
72.67767	0.8
72.99184	5.4
73.02813	1.7
75.00752	15.9
75.50131	0.8
83.01251	2.7
83.04912	0.9
85.02832	19.9
87.00767	6.9
89.02316	5.7
93.03336	1.0
95.01276	4.3
98.19730	1.4
99.00775	9.8
99.08038	1.6
101.02317	3.4
102.81399	0.8
103.00237	1.7
107.01288	1.4
108.02023	0.9
111.00760	1.3
113.02341	18.8
115.00246	2.1
117.01832	2.3
119.04980	1.1
125.02283	1.0
125.09626	1.2
127.11056	1.1
131.03459	0.8
135.04391	1.0
135.54224	0.8
137.02304	1.2
139.03928	0.9
143.04504	1.2
151.00276	4.1
157.01408	0.9
171.10158	2.6
173.04416	1.2
175.02383	3.5
175.03848	1.4
176.01158	1.1
183.13843	3.4
191.03398	0.9
193.12273	1.1
199.13341	0.9
205.07182	1.0
209.11761	1.7
211.13351	21.9
212.13664	1.0
229.14409	12.5
243.02972	2.2
249.06149	7.9
255.02975	2.6
270.04675	0.9
271.02502	9.1
272.02896	1.7
299.01981	1.2
300.02780	17.3
301.03229	2.8
306.08060	1.0
329.23355	22.0
330.23581	2.4
519.32178	1.9
535.23877	2.0
535.31067	7.9
536.31342	1.4
553.17334	1.0
561.29541	1.4
579.13879	9.4
579.30212	100.0
580.14294	1.5
580.30640	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	579.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48713	0.3
59.01254	100.0
59.48166	0.4
59.84647	0.4
60.01592	1.2
62.88797	0.4
67.44577	0.4
69.03371	0.4
71.01256	2.6
73.02826	3.4
78.95796	1.5
80.96386	0.4
83.01278	1.1
85.02821	0.5
86.46368	0.4
98.19769	1.0
101.02323	3.7
113.02359	1.0
119.03425	0.6
123.25121	0.4
123.50363	0.4
125.02398	0.6
135.08090	1.2
144.45380	0.4
161.04486	0.8
175.11215	0.8
227.12900	0.8
271.02603	0.4
271.20755	1.0
297.18500	2.1
300.02713	0.6
315.19678	2.2
329.21072	0.5
339.19806	1.8
357.20895	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
63.96100	1.6
69.68285	0.5
70.72025	0.6
71.01255	6.4
73.02823	2.1
78.98468	5.0
79.95611	10.8
80.96396	70.6
81.05412	0.6
85.02822	3.2
87.00740	2.6
94.97969	15.7
96.95876	2.2
97.02824	1.5
99.00771	1.0
101.02299	3.5
106.97952	2.2
114.04514	0.6
114.69542	0.6
122.97482	6.0
125.02364	3.2
127.03963	0.6
134.97473	5.4
136.99017	2.0
148.19435	0.5
148.99065	5.2
152.98544	7.3
164.98538	12.7
167.00011	0.7
182.99588	2.1
200.18393	0.6
206.99631	3.0
223.72467	0.6
225.00713	16.3
243.01816	1.6
269.84631	0.6
279.23331	2.9
299.04367	2.6
319.10736	0.6
579.28455	100.0
580.28760	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	579.258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	37.4
61.98685	38.3
71.01202	36.6
72.34503	9.2
78.95769	39.9
80.96386	11.1
81.45066	12.2
96.95896	13.1
113.02390	15.4
117.83118	11.5
125.02288	15.4
165.01758	15.1
167.60933	11.2
174.01611	26.0
199.20045	11.9
209.11758	11.7
211.13362	98.2
217.95422	10.6
253.09244	22.3
255.03088	14.8
271.02469	44.2
275.65067	17.3
281.96738	11.7
289.18011	25.7
300.02682	100.0
301.03287	14.2
307.19202	18.1
312.28314	10.1
334.26596	12.2
405.26437	11.5
467.87204	10.9
564.88324	15.3
579.13428	42.4
579.25708	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	22.9
59.01517	6.9
61.98704	15.5
71.01259	20.4
71.57938	9.5
75.00755	7.7
78.95777	100.0
80.96385	9.7
96.96833	9.1
99.00780	7.9
101.02287	7.4
112.50986	7.1
119.63230	7.0
151.00224	10.5
152.99490	22.4
171.00516	14.4
176.26018	8.6
183.13838	8.8
185.11830	7.0
187.10927	6.4
209.11903	8.7
211.13351	12.3
227.12869	7.6
255.02982	10.3
271.02356	30.8
300.02759	63.6
307.19150	15.7
347.25919	31.7
365.26852	15.6
417.22726	8.1
469.96356	8.5
562.31506	16.8
579.13409	26.9
579.23901	13.4
579.32947	39.9
580.14349	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	579.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06759	4.2
59.01250	90.0
63.02267	5.2
68.13900	4.7
71.01257	44.8
71.57381	8.8
72.99186	8.5
73.02830	10.9
75.00739	7.8
83.01259	9.6
85.02818	36.7
87.00755	7.4
89.02315	23.4
94.60348	4.5
95.01285	8.4
99.00771	9.3
101.02320	26.2
108.02047	9.9
109.02859	9.9
113.02353	28.5
119.04882	5.4
119.57321	4.4
120.67659	4.1
121.02812	5.2
125.02315	7.3
136.01535	5.3
137.02347	7.8
147.43481	4.6
151.00246	25.5
151.03896	11.3
152.01057	12.8
160.01523	5.0
161.04488	13.0
166.02620	15.0
175.03908	6.2
178.99712	6.3
181.04993	17.8
193.05038	6.4
243.02995	10.3
255.02902	27.6
256.03278	6.2
271.02509	52.9
272.03043	7.8
285.04089	10.3
300.02728	100.0
301.03436	54.7
357.13464	17.8
387.10791	8.4
399.20062	6.7
417.15439	29.2
493.22656	10.0
519.31329	30.1
537.32617	8.2
579.13611	72.8
579.23407	34.2
580.14313	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	579.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73592	0.6
55.01768	2.3
57.03318	4.4
58.00475	2.5
59.01253	39.4
60.82909	0.6
61.75894	0.6
68.99696	1.7
69.03338	1.8
69.57156	5.0
71.01255	33.5
71.04824	0.7
72.99184	8.5
73.02829	7.7
75.00748	18.7
81.03300	1.4
83.01269	3.0
85.02827	30.0
87.00750	7.8
89.02324	7.2
91.03912	0.6
93.03365	0.7
95.01266	5.3
96.37389	0.5
97.02845	0.7
98.19859	1.3
99.00755	12.4
99.01350	1.0
99.04404	1.5
101.02311	4.6
103.00269	2.2
103.03899	2.3
104.05302	0.6
107.01279	1.1
108.02056	1.5
109.02835	1.0
109.99945	0.6
111.00813	1.3
113.02331	22.8
114.39711	0.6
115.00295	1.9
117.01820	3.1
121.10149	3.5
129.01804	1.9
135.00859	0.8
148.01649	0.5
151.00264	2.3
157.01332	0.9
164.01149	0.7
165.09129	1.9
167.10701	6.5
167.48659	0.6
175.02444	2.4
178.99825	1.4
187.00284	0.6
189.04008	0.9
199.03828	0.7
223.16051	0.6
227.03453	1.3
231.05132	1.5
243.02971	6.1
249.06160	14.8
250.06606	0.6
254.02173	1.1
255.02989	14.9
256.03442	1.5
267.07166	4.2
271.02478	32.7
272.02869	4.0
299.02026	1.2
300.02747	51.1
301.03250	6.8
327.12637	0.6
329.16022	2.3
387.33554	0.8
417.17670	2.4
434.87167	0.6
561.21912	1.9
579.13666	22.0
579.22974	100.0
580.14026	3.8
580.23346	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	579.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53448	0.3
51.26143	0.4
55.01748	1.2
57.03333	2.2
57.03550	0.4
58.00457	1.0
59.01252	40.9
63.76254	0.3
67.01752	0.3
68.99675	0.9
69.03322	0.9
69.99058	1.8
71.01254	18.3
72.01597	0.5
72.99181	4.1
73.02817	4.3
75.00752	12.0
81.03329	1.4
83.01256	1.4
83.04896	0.5
85.02826	16.3
87.00753	3.7
89.02320	4.3
91.03871	0.4
95.01273	3.6
97.02814	0.4
98.20490	0.4
99.00161	0.5
99.00758	6.5
99.04384	0.9
101.02326	2.6
103.00272	1.3
103.03890	1.5
109.02808	0.8
109.16425	0.4
113.02335	13.6
115.00240	1.5
117.01825	1.5
119.03423	0.5
121.02773	0.4
121.10119	2.0
127.03884	0.5
129.01839	1.0
157.01343	1.0
165.09155	0.7
167.10657	2.4
175.02409	1.5
183.10255	0.4
205.07127	0.9
222.05254	0.4
231.05074	0.9
249.06139	9.3
263.07278	0.5
267.07138	3.3
284.03299	1.4
285.04016	2.1
297.07672	1.5
300.02826	0.7
309.07767	2.0
309.10980	0.6
312.10071	1.1
313.10178	0.5
324.09976	1.4
327.12396	7.0
328.12613	0.7
329.16113	2.2
337.05301	0.4
339.12393	7.4
340.12653	0.7
416.59302	0.4
417.17664	1.4
561.21979	1.8
579.14850	3.6
579.22937	100.0
580.23236	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	579.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.0
57.03324	3.4
58.00457	0.9
59.01254	38.4
67.01750	1.3
68.99687	1.7
69.03333	1.8
69.38017	7.8
69.38428	1.8
71.01260	27.5
72.99175	6.9
73.02831	8.1
75.00751	20.3
76.24914	1.0
81.03336	2.6
83.01244	3.0
85.02824	25.2
87.00763	8.1
89.02329	6.8
95.01283	4.9
99.00773	11.0
101.02321	3.8
103.00247	2.2
103.03888	2.0
109.02823	1.6
111.00821	0.9
113.02333	19.3
114.02636	1.0
115.00278	2.1
117.01819	2.5
121.10102	4.3
129.01854	1.6
151.00250	1.1
157.01341	1.0
163.00322	1.1
165.09044	1.1
167.10641	5.3
178.99736	1.1
205.20795	1.1
243.02892	3.6
249.06155	13.7
254.21141	1.0
255.03052	6.2
267.07156	3.9
271.02502	13.0
272.02795	1.4
300.02753	27.3
301.03131	3.2
327.94186	1.1
329.16071	2.2
417.17551	2.8
561.21741	1.3
579.13757	11.0
579.22858	100.0
580.14154	1.8
580.22955	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	579.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56397	0.6
55.01756	1.8
57.03333	3.5
58.00471	1.2
59.01252	36.3
67.01768	1.0
68.99688	1.1
69.03320	1.7
69.36745	6.3
71.01255	32.4
72.99180	11.2
73.02824	7.2
75.00748	17.9
75.23309	0.6
76.71954	0.6
81.03323	1.3
83.01269	2.3
83.04887	0.7
85.02826	24.0
87.00759	10.2
88.47512	0.7
89.02317	9.0
90.86135	0.6
93.03295	1.0
95.01253	6.1
96.95876	1.1
98.20574	1.8
99.00753	10.3
99.04406	1.5
101.02328	6.1
103.00252	3.2
103.03910	1.5
103.13694	0.8
103.26144	0.7
109.02811	1.4
113.02333	25.1
114.90199	0.6
115.00262	4.1
117.01833	2.5
119.03378	1.7
121.10123	2.7
122.03620	1.0
129.01823	2.3
131.03401	1.6
139.11176	0.9
149.04446	0.9
150.03145	1.6
157.01350	0.8
163.02380	1.1
165.05434	1.7
165.09181	1.7
167.10716	2.5
173.04628	0.7
175.02386	3.6
183.10123	1.2
193.03421	2.0
195.06500	1.1
205.07094	1.0
207.05099	0.9
249.06203	7.5
267.07178	7.7
287.19818	0.7
300.02661	1.1
329.16034	3.3
398.01489	0.8
417.17181	1.2
433.17184	3.8
561.21906	2.2
579.22968	100.0
580.23175	15.1
591.52783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.1
69.23975	2.8
69.24403	4.1
71.01254	3.9
73.02810	0.7
83.01240	0.6
85.02818	2.4
89.02319	1.7
95.01275	1.7
96.96000	0.6
101.02315	2.3
107.01249	0.6
108.02038	0.8
109.02844	2.5
113.02328	2.3
119.04929	1.0
121.02818	1.8
123.00758	3.2
123.04417	1.0
124.01511	0.8
125.02352	1.5
133.02904	0.8
137.02330	10.4
139.00302	1.4
139.03897	0.7
143.04520	0.9
149.02388	1.2
151.00273	22.1
151.03903	1.6
152.01003	1.5
152.04730	2.9
153.01859	1.6
164.04654	0.7
165.01860	1.2
166.02634	66.6
167.03241	4.3
175.03897	1.2
177.01884	4.2
178.02444	0.7
178.99767	1.1
181.04987	77.2
182.05321	3.2
184.03685	0.8
187.03992	0.7
190.06308	1.6
191.03403	1.2
192.04187	1.1
193.04958	1.1
205.05025	1.4
205.08664	1.6
207.06647	1.2
209.11766	1.5
217.05011	0.7
220.84843	0.6
227.03471	1.2
243.02951	3.8
255.03006	8.2
256.03323	0.9
267.19189	0.6
271.02484	15.5
272.02939	2.6
283.02371	0.8
300.02756	26.9
301.03317	5.4
306.07642	0.9
357.09836	0.9
359.11227	2.9
387.10870	18.5
387.15460	0.6
388.11151	2.2
402.13217	7.4
417.15549	100.0
418.15845	12.9
519.31964	1.9
579.13812	18.7
579.23151	4.4
580.14246	3.3
580.22784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55453	0.5
55.01757	1.1
57.03326	2.4
58.00472	1.2
59.01255	28.7
67.01739	0.6
68.99675	0.9
69.03323	0.9
69.46662	1.2
69.47070	4.2
71.01258	23.8
72.01614	0.7
72.99192	5.0
73.02823	8.0
73.38142	0.5
74.21864	0.6
75.00748	12.8
81.03311	0.7
82.10240	0.5
83.01256	3.0
83.04882	0.6
85.02831	19.2
87.00753	7.0
89.02320	6.8
89.80322	0.6
91.03803	0.6
93.03352	0.7
95.01273	3.9
96.95879	0.6
97.02871	0.7
98.19820	1.1
99.00767	6.6
101.02328	7.7
103.00241	1.3
103.03904	0.7
108.02029	1.6
109.02847	1.4
111.00711	0.8
113.02338	18.6
115.00285	4.0
117.01825	1.1
119.03404	1.3
121.02785	0.7
121.10131	1.6
122.03616	1.7
125.02338	0.9
129.01814	1.5
131.03427	0.6
149.02364	3.3
149.04501	1.0
150.03143	12.9
151.03868	0.7
152.01082	0.8
157.01309	1.6
161.04466	2.1
165.05493	13.5
165.09064	1.2
167.10672	2.1
175.02400	5.7
180.04216	1.3
195.06570	10.4
205.07082	0.8
249.06113	3.4
267.07233	5.6
271.02521	1.2
327.12378	3.7
329.16104	2.4
357.13589	0.6
400.93857	0.6
417.17645	3.7
561.21411	1.5
579.22937	100.0
580.23352	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	579.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67440	0.9
58.30969	0.8
58.41978	0.8
59.01249	1.6
71.01263	0.9
95.09399	0.7
95.39124	0.9
98.20639	2.2
107.01289	2.2
108.02046	2.1
118.72166	0.9
121.46697	0.9
124.01527	1.0
148.01581	2.5
148.53169	0.9
151.00266	4.0
163.00281	1.0
178.99759	2.6
192.00650	0.9
206.22755	0.9
226.02684	2.2
227.03473	3.6
230.47003	0.8
230.49362	0.9
243.02966	13.7
244.03149	1.6
254.02309	2.0
255.02983	31.3
256.03360	2.3
266.92273	0.8
271.02487	73.8
272.02893	7.5
299.01898	2.3
300.02750	100.0
301.03201	12.8
344.61862	0.8
359.20493	1.0
404.07941	1.0
437.38821	1.1
500.61990	0.9
506.31912	1.0
579.13562	32.8
579.22571	2.2
580.13782	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	579.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47068	0.9
52.96860	0.9
55.01751	1.0
57.03327	1.9
59.01256	19.8
71.01260	11.5
71.58094	1.2
72.10445	0.8
72.99192	3.4
73.02838	2.3
75.00753	6.3
83.01262	1.4
85.02838	8.7
87.00768	3.5
89.02310	4.3
93.03356	0.8
95.01254	2.1
96.95866	1.4
99.00784	3.4
101.02347	2.8
103.00370	0.9
107.01276	3.2
108.02074	1.6
109.02845	1.1
113.02333	7.3
119.03348	1.5
121.02877	1.9
125.02388	1.6
130.88374	0.9
134.03632	1.5
135.02954	0.9
148.01582	1.9
149.02232	0.9
151.00290	11.9
161.04509	1.0
163.00275	1.4
178.99814	7.4
180.28258	0.9
199.03929	1.7
211.04079	1.4
226.02698	1.9
227.03448	3.1
243.02992	11.8
249.06139	3.8
254.02402	2.0
255.03000	23.3
256.03333	2.6
271.02490	55.0
272.02927	5.1
273.03839	1.3
285.03976	1.5
299.01984	9.2
300.02762	100.0
301.03412	22.8
302.03778	1.4
327.12469	1.1
329.15836	1.2
345.13257	1.3
389.11401	1.3
417.17389	1.1
433.07715	16.9
434.08133	1.3
447.09207	10.2
448.09662	1.9
534.74640	1.1
579.13611	61.6
579.23041	35.5
580.14014	10.8
580.23370	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	578.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	15.7
70.33117	1.3
71.01263	1.5
78.95782	4.7
78.98458	0.8
79.95596	1.6
80.96393	10.6
81.96351	0.3
82.95985	1.0
87.00774	0.4
94.97973	2.3
98.24281	0.3
119.03533	0.3
123.64016	0.4
125.02337	0.4
134.97459	0.5
148.99069	1.1
152.98457	0.4
152.99545	0.8
158.94568	0.3
164.98535	2.3
168.04239	1.2
216.08977	0.3
224.06854	1.1
225.00676	1.9
226.00906	0.5
242.07947	2.9
265.75034	0.4
269.26282	0.4
279.23285	100.0
280.23615	9.4
299.04407	0.4
472.20062	0.4
504.30957	22.9
505.31302	3.0
551.89032	0.4
558.34912	0.4
578.27179	19.5
579.27118	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	578.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	23.0
60.24760	0.2
61.98699	0.2
71.00893	0.5
71.01269	1.0
78.95783	23.7
78.98464	0.5
79.11898	0.2
79.95609	1.0
80.96397	6.6
81.03320	0.3
82.95954	0.3
85.02854	0.3
91.55957	0.2
94.98001	1.3
96.96864	0.3
100.91969	0.2
101.02320	0.3
122.97503	0.5
122.98408	0.4
125.02319	0.3
134.97440	0.5
136.01982	0.2
148.99037	0.4
152.99527	3.5
164.98569	0.8
168.04236	3.3
171.10300	0.3
211.13289	0.3
224.06888	9.4
225.00681	1.2
225.07187	0.5
242.07945	2.3
261.22296	0.6
271.02283	0.3
279.23303	100.0
280.23654	10.4
300.02606	0.5
424.91748	0.3
504.31015	53.7
505.31323	8.7
505.38837	0.3
578.27191	4.2
578.35266	0.4
579.14093	0.5
579.28314	5.4
579.37061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	11.9
60.42958	1.1
69.02254	1.1
71.57708	1.2
71.58091	1.2
72.83804	1.1
80.96381	4.7
91.03886	4.4
94.97984	1.0
106.16991	1.1
111.08054	1.7
126.80822	1.0
165.12785	20.0
183.13840	100.0
184.14140	5.8
195.13866	4.9
197.11841	2.3
209.11797	4.9
211.13341	14.1
223.13374	3.9
225.00781	1.1
227.12851	12.2
228.13089	1.3
275.20123	2.1
293.21240	47.7
294.21762	5.1
299.04349	6.9
301.16534	8.7
307.30096	3.8
309.20657	3.8
351.29108	1.9
369.30145	3.8
425.32565	2.6
426.80597	1.1
443.33804	3.9
469.22958	1.2
501.24609	1.3
569.72772	1.3
577.37390	14.6
578.37750	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	578.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.7
57.03316	1.7
59.01255	20.4
60.01567	0.8
61.98705	1.4
69.03320	0.6
71.01251	12.8
71.34978	1.0
72.99178	2.5
73.02819	3.1
74.02338	2.4
75.00752	3.0
83.01250	2.9
84.04427	1.4
85.02827	8.1
87.00758	2.6
89.02334	2.3
93.03320	0.9
95.01248	1.7
96.95881	0.7
97.02834	0.5
99.00765	2.8
100.03951	0.7
101.02324	6.7
102.05489	32.9
103.05818	0.8
111.00710	1.3
113.02341	5.5
119.03378	0.7
119.04916	0.9
124.01519	0.6
125.02312	1.8
128.03429	51.0
129.03790	1.3
130.08598	0.6
131.03363	0.6
134.03654	1.5
137.02383	0.5
143.04550	0.9
146.04492	8.3
151.00270	0.9
151.03961	0.7
152.33250	0.5
160.01552	1.9
161.02014	0.6
161.04504	0.7
163.03871	0.6
165.05443	0.5
167.03448	0.7
175.02565	0.7
175.03891	3.0
176.04288	0.8
178.99754	1.2
179.99860	0.5
193.05017	2.2
209.11823	0.5
213.41272	0.5
235.06012	0.6
243.03044	1.3
249.06203	0.8
255.02994	2.0
269.21161	1.3
271.02481	5.5
285.03738	1.0
287.22299	13.4
288.22635	1.1
299.01950	1.6
300.02753	9.5
301.03564	1.4
306.07684	0.6
328.22379	0.8
329.23428	1.3
360.37833	0.5
366.10574	0.6
399.27817	0.7
431.26544	4.8
449.27585	28.7
450.27859	3.0
498.12421	0.5
519.31720	3.1
534.22766	1.5
534.32703	3.6
560.15308	0.7
560.30554	4.8
561.30371	0.6
578.31818	100.0
579.13361	5.0
579.32251	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	577.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51769	1.0
55.01766	2.9
57.03326	10.2
59.01255	66.2
67.01797	1.3
68.99702	2.1
69.03325	4.3
69.41024	3.1
69.41442	8.2
71.01261	44.7
72.99184	11.0
73.02813	7.0
73.95148	1.0
75.00753	39.7
83.01270	6.9
85.02831	46.6
86.03147	1.6
87.00753	12.4
89.02327	15.3
93.03386	2.0
95.01270	8.3
96.95900	4.9
97.02846	2.4
97.06500	1.7
99.00768	19.4
99.04388	1.8
101.02320	11.8
103.00249	3.5
107.01319	1.8
109.02845	2.2
111.00782	2.8
111.04401	1.1
113.02345	49.2
114.02658	1.2
115.00272	4.2
117.01816	3.3
119.03389	3.2
119.04897	2.1
124.01560	1.6
125.02361	8.8
128.03462	1.5
129.01819	1.9
131.03394	2.9
132.02019	1.6
134.03635	5.4
137.02350	2.8
137.09589	2.3
143.04489	1.5
149.04536	1.5
151.00244	5.0
152.01033	1.6
153.01819	1.5
157.01337	1.3
160.01602	8.3
161.04483	2.5
163.04007	1.2
168.95177	1.2
171.10197	16.8
173.04425	1.3
175.02377	8.5
175.03938	8.8
177.01782	1.4
177.09172	1.5
178.99774	3.8
183.13866	2.8
187.62570	1.3
190.02635	1.4
193.01379	2.3
193.05006	4.5
197.06003	2.4
201.01852	4.7
205.01389	1.9
207.02997	1.3
209.11766	3.0
211.13376	3.5
221.11794	1.8
241.01122	1.2
242.02090	2.1
243.02811	1.3
249.06123	4.4
267.07092	2.8
270.01749	2.8
271.02515	2.1
291.19608	1.6
297.07608	2.0
298.24222	1.2
299.02087	1.5
300.02563	2.1
301.03668	1.6
306.07999	1.4
323.05542	1.9
327.21829	17.1
328.22104	2.0
337.09406	4.8
351.05115	4.1
369.09695	1.9
371.35178	1.3
377.07269	1.4
383.07755	5.4
395.07742	4.4
399.10898	4.6
400.11517	1.4
413.08609	1.8
415.13843	1.3
427.10388	32.6
428.10574	4.6
429.21210	2.4
431.09949	1.7
487.28946	3.6
499.29526	1.3
517.30487	6.8
533.22467	85.5
533.29510	3.0
534.22662	11.9
534.29602	2.4
535.30859	3.8
545.14703	1.6
559.14575	6.7
559.27179	1.7
577.15320	17.4
577.28711	100.0
578.15546	2.6
578.29303	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	577.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	4.3
58.00478	0.9
59.01256	29.5
61.98697	0.8
65.00175	1.3
68.99687	1.8
69.03316	1.3
69.37599	7.0
71.01259	21.5
72.99190	6.6
73.02827	3.7
73.75292	0.8
75.00358	1.2
75.00752	14.9
83.01256	2.4
83.04913	1.3
84.02053	0.8
85.02833	23.9
87.00773	6.7
89.02303	5.3
93.03344	1.2
95.01273	4.9
95.04910	0.7
95.70390	0.7
96.95879	3.1
97.06467	2.3
99.00767	7.9
101.02310	3.8
103.00249	1.0
107.01276	1.2
109.02828	1.8
113.02341	21.3
115.00269	2.0
117.01833	1.4
119.04910	1.0
123.04404	2.0
124.01502	1.1
125.02325	3.3
127.11162	1.2
128.03479	1.3
129.01785	1.8
131.03375	1.3
133.91696	0.9
137.02318	2.5
139.00253	0.9
143.04491	1.0
145.02776	0.8
151.00244	4.8
152.01021	1.6
155.10699	1.0
157.01328	1.0
161.02402	0.8
163.00256	1.1
164.01045	3.0
171.10182	8.4
174.01572	1.9
175.02396	2.9
175.03825	1.7
177.01813	0.8
177.93651	0.8
177.95306	0.8
178.99692	2.5
183.13768	3.3
186.03133	0.8
190.02583	1.1
192.00592	1.0
193.01186	0.9
201.11162	0.9
205.01237	1.0
205.07140	0.9
205.12146	0.8
209.11836	1.9
211.13367	12.3
214.02640	0.9
219.02780	1.1
221.11725	2.3
229.14435	8.8
230.14607	0.9
239.12843	0.9
241.01357	1.4
242.02124	2.2
243.02869	0.9
245.00980	2.0
249.06155	8.8
255.02776	0.9
259.02286	1.5
267.07224	2.0
270.01678	3.9
271.02548	7.8
272.03012	1.5
285.04153	1.0
287.01901	0.9
291.19638	2.1
298.01099	2.9
299.02084	6.0
300.02545	1.2
304.02228	1.7
306.07590	1.0
313.03448	1.2
327.21750	17.9
328.22092	1.9
331.67697	0.9
341.75516	0.8
342.91815	0.9
359.11273	2.2
399.10635	0.9
414.09152	1.3
423.07245	12.0
424.07562	1.8
427.10077	2.8
444.10370	1.4
445.11655	0.9
462.07672	1.4
507.27802	4.1
517.30444	1.0
533.22223	1.9
534.33209	0.8
559.27698	2.9
577.15723	17.8
577.28571	100.0
578.15588	2.8
578.28870	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.9
57.03329	4.5
58.00502	1.7
59.01257	76.4
60.01579	1.6
61.75058	1.0
68.99712	1.5
69.03340	2.6
71.01262	47.3
72.99189	7.0
73.02828	7.1
75.00748	14.9
83.01267	4.9
85.02827	24.1
87.00755	7.7
89.02319	23.3
95.01252	7.7
96.45120	0.9
97.02873	1.5
99.00768	9.8
101.02333	19.7
102.02627	1.2
103.00259	2.1
107.01272	1.7
111.00812	1.9
112.01562	1.4
113.02343	35.8
115.00278	2.8
117.01841	1.6
119.03431	9.8
119.04918	1.5
125.02353	3.0
129.01825	1.5
131.03439	1.3
132.02055	2.3
133.06160	1.0
134.03665	4.2
143.03398	2.4
149.02242	1.0
149.05971	1.3
149.63063	1.1
151.00293	4.3
151.11195	1.5
152.00995	1.6
160.01601	7.3
161.04507	6.1
175.02451	2.3
175.03951	6.6
178.99789	3.6
179.05560	2.3
181.48059	1.1
193.04985	4.9
197.15399	1.5
203.10648	1.7
211.13390	1.6
225.14928	7.5
227.03468	23.3
228.03819	2.6
235.06111	2.2
237.18718	2.6
249.06125	7.8
251.16531	2.1
255.02994	42.3
256.03537	6.5
265.18033	6.6
267.07166	2.3
273.18518	1.2
283.02380	1.5
283.19183	18.0
284.03284	55.8
284.19574	1.8
285.03848	10.3
291.19705	3.5
309.20660	2.5
327.21826	13.3
328.22052	1.7
337.09323	3.9
338.47336	1.1
373.22473	2.1
397.26044	2.1
413.08752	1.9
461.33768	1.1
517.26392	26.3
518.27203	4.7
535.27448	15.2
536.28461	1.4
559.14398	3.2
559.21405	1.6
570.95825	1.3
577.15546	28.8
577.28687	100.0
578.16071	8.0
578.29211	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	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45790	0.5
59.01252	5.0
63.96118	1.0
66.68474	0.5
69.03346	0.7
69.26798	5.8
69.27139	1.0
71.01260	7.3
73.02824	1.8
78.95776	1.3
78.98472	6.5
79.95605	11.2
80.96395	75.5
81.03312	1.0
85.02825	2.7
87.00761	2.7
88.89011	0.4
94.97970	15.3
96.95879	1.2
97.02836	1.2
99.00736	0.7
101.02322	2.0
106.97982	3.1
122.97472	3.5
125.02307	2.9
127.03896	0.6
134.97476	4.3
136.99045	1.2
148.99077	5.9
152.43152	0.5
152.98569	5.3
164.98552	12.1
206.99651	1.9
212.26318	0.5
224.06796	0.5
225.00706	12.1
242.08086	0.7
254.68356	0.5
277.21729	1.9
279.23288	31.3
299.04474	3.1
320.17712	0.6
334.38110	0.5
442.41638	0.5
504.31021	8.7
577.26898	100.0
578.27252	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	577.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.0
57.03325	6.1
58.00435	1.1
58.30465	0.9
59.01254	63.7
61.98685	1.2
68.99677	1.1
69.03313	1.4
69.70768	1.4
69.71172	4.5
71.01253	31.3
72.99183	6.1
73.02819	7.1
75.00749	24.0
82.78309	0.9
83.01253	6.2
83.64709	0.9
85.02824	29.6
87.00745	10.7
88.98676	1.3
89.02319	5.2
95.01260	4.2
97.02814	1.2
97.06499	1.2
99.00761	11.8
101.02318	8.7
103.00240	1.2
108.02081	0.9
109.02840	1.7
111.00768	3.7
113.02332	27.9
115.00250	2.6
117.01857	1.8
119.03441	1.2
119.04935	1.5
121.02809	1.4
123.08031	1.4
125.02334	2.8
128.03419	1.4
129.01823	2.0
131.03450	0.9
151.00279	1.9
157.01311	1.1
160.01660	0.9
160.03954	1.9
161.04468	1.8
163.03911	1.1
164.07082	1.1
171.10172	2.1
175.02412	3.7
175.03804	1.0
190.02553	1.3
209.11768	1.8
214.02762	1.5
230.25500	0.8
241.01306	1.5
242.02090	1.6
245.00742	1.3
249.05989	2.3
267.07117	1.2
270.01645	4.9
271.02423	2.5
277.21716	1.5
283.02591	1.6
284.03015	0.9
295.23135	0.9
297.03900	2.3
298.01199	1.6
298.04733	0.9
299.01993	3.7
300.02631	1.3
326.04224	4.0
327.04803	2.1
327.21713	3.5
335.06049	2.0
381.09799	1.4
414.09415	1.0
439.27197	2.4
439.85220	1.0
447.09323	1.2
457.28082	3.3
473.10864	10.4
475.28726	1.2
517.30255	1.8
533.28833	1.7
545.16699	1.0
559.27881	1.8
577.15735	6.3
577.28198	100.0
578.28442	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	577.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62727	0.6
59.01251	1.8
62.93115	0.6
63.96111	1.5
69.03308	1.1
70.19042	2.1
71.00891	0.9
71.01258	10.7
73.02825	2.6
78.98470	7.4
79.95609	15.8
80.96393	100.0
81.03329	1.2
85.02831	3.8
87.00749	3.4
94.97967	20.6
96.95911	1.1
97.02825	2.3
98.20498	0.6
99.00733	0.8
101.02335	3.0
106.97987	4.5
113.02325	0.8
119.49868	0.6
122.97472	6.6
125.02374	3.0
127.03905	1.5
134.97491	6.4
136.99031	1.7
141.83403	0.7
148.99059	7.5
149.00969	0.7
152.98547	8.3
164.98547	12.3
182.99609	2.6
206.99641	2.9
225.00697	16.7
226.01051	0.6
242.15102	0.6
243.01855	1.4
277.21738	2.3
292.37048	0.7
299.04395	3.0
317.05307	0.6
317.97348	0.7
577.26862	87.1
578.27148	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
59.17340	0.7
63.96126	1.6
63.98517	0.5
69.03328	1.0
69.46629	1.7
69.47054	3.1
71.01252	9.4
73.02815	2.4
78.98465	9.7
79.95610	13.4
80.96394	100.0
81.03323	1.2
85.02821	4.7
87.00764	3.9
94.97964	23.3
96.95890	1.8
97.02847	2.6
101.02332	4.1
106.97949	4.9
122.97464	9.5
125.02330	4.6
127.03910	1.2
134.97466	7.7
136.99033	1.0
148.99054	7.8
152.98561	9.6
164.98547	16.3
182.99611	4.0
188.98553	1.0
206.99609	4.0
225.00691	21.8
226.01039	0.6
235.53548	0.6
243.01811	2.1
255.31778	0.6
277.21695	3.9
299.04410	2.4
577.26898	90.2
578.27228	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	577.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.3
57.03323	5.9
59.01254	45.2
61.98695	1.7
62.42369	1.2
63.02299	1.4
65.00211	2.5
69.03326	3.8
69.24370	12.4
71.00894	2.5
71.01257	30.2
71.04902	1.6
72.99182	4.0
73.02817	5.5
74.02333	1.7
75.00743	10.8
75.49496	1.2
78.95788	1.5
79.95616	1.9
83.01259	5.9
85.02829	18.4
85.03308	2.4
87.00758	5.9
89.02324	12.0
89.03858	1.4
93.03330	2.6
95.01273	4.6
96.95891	4.8
97.02817	1.7
99.00758	8.1
101.02319	11.6
103.00244	1.9
103.82379	1.2
107.01255	4.9
108.02084	1.7
109.02854	2.7
111.00732	1.3
113.02345	21.9
115.00262	2.1
116.92760	1.4
117.03359	4.4
119.03403	2.9
119.04924	3.4
121.02809	1.9
123.04379	1.7
124.01543	2.3
125.02357	10.6
128.03452	1.5
131.03439	1.5
132.02068	23.8
133.02849	5.6
134.03633	56.9
135.04362	4.5
137.02344	3.4
141.41475	1.3
143.03424	1.3
147.04431	4.7
148.05196	2.4
149.02330	1.6
149.05981	9.8
151.00270	14.5
151.03929	2.6
151.07565	1.6
152.01035	4.5
153.01817	2.4
160.01579	97.4
161.02051	5.9
161.04434	3.0
161.09586	1.3
163.00296	1.5
163.07629	2.7
165.01895	1.6
165.09155	1.5
169.01303	1.4
171.10213	2.0
173.04399	1.5
173.05898	2.0
175.02599	3.5
175.03917	100.0
176.03088	1.3
176.04515	9.9
177.01852	3.9
178.02608	3.6
178.99826	11.2
179.03423	2.4
179.10745	2.3
190.01134	1.5
190.02658	3.0
191.03232	1.9
191.07106	12.6
192.00598	1.6
192.04231	1.7
193.01366	6.4
193.05008	66.9
194.05351	5.1
199.03767	1.7
201.05409	1.6
201.11195	3.0
203.10739	3.7
205.01349	3.7
205.05023	3.7
205.08672	2.1
206.09366	1.7
207.06618	4.9
211.13316	3.5
217.05005	2.1
218.02184	1.5
219.02904	2.4
221.11787	8.8
225.14946	3.4
227.03510	8.3
235.06081	38.3
236.06396	1.7
247.02469	3.1
249.06172	3.6
255.02982	14.8
256.03604	2.3
265.07187	8.8
265.18088	3.2
267.07306	1.7
271.02588	3.6
272.02887	1.4
283.19086	4.3
284.03238	17.8
285.03967	7.6
287.05606	1.5
295.08246	12.3
299.01947	4.2
300.02621	3.1
301.03415	2.9
309.20468	1.5
319.56564	1.7
327.21817	7.2
337.09247	15.4
338.09509	1.8
341.10373	1.7
343.04401	2.2
353.06738	4.1
355.10693	1.3
357.10022	1.8
359.11243	2.1
369.05792	2.2
369.09937	3.5
387.10931	3.0
392.59479	2.3
395.07452	1.5
412.08200	1.4
413.08978	2.8
416.11252	2.4
427.10886	1.6
445.11365	2.8
517.29980	4.7
522.67505	1.4
533.22321	2.1
533.29565	3.6
534.29779	3.0
535.30505	1.8
545.13086	1.5
559.14398	5.0
559.21881	3.3
560.14508	2.2
577.15350	37.5
577.22943	41.7
577.29346	22.6
578.15625	4.8
578.21954	8.8
578.30402	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	577.214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38518	1.5
55.01736	2.4
56.41374	1.5
57.03317	7.8
58.00474	2.3
59.01255	78.2
60.01520	1.6
67.01768	2.3
67.37327	1.7
68.99673	3.0
69.03346	2.6
71.01257	55.3
71.57510	2.2
72.99182	10.9
73.02815	8.5
75.00751	52.9
81.54533	1.7
83.01268	7.0
83.04868	2.5
85.02345	3.4
85.02831	47.7
87.00758	14.9
89.02320	14.4
93.03349	1.7
95.01260	6.1
96.95899	3.6
97.02826	2.2
99.00763	16.4
101.02328	15.7
103.00292	1.7
109.02847	3.7
113.02335	42.7
114.02689	4.0
115.00246	4.7
117.01833	3.4
119.03371	3.3
119.04880	2.6
121.02836	2.5
125.02343	6.3
132.02101	2.1
134.03630	4.1
135.04410	2.9
136.17358	1.7
137.02271	2.4
147.38568	1.9
149.04404	2.3
151.00299	3.9
151.03842	1.5
153.01843	2.0
160.01590	3.2
161.04570	2.6
163.03931	2.1
171.10136	3.1
173.04466	4.3
175.02396	8.2
175.03830	3.5
178.99825	2.3
191.03424	2.3
191.05473	2.2
193.05011	5.0
201.01843	2.5
201.11218	3.0
205.01306	2.1
214.02589	3.6
241.01382	4.5
242.02158	6.6
243.02966	2.2
245.00864	4.4
249.06131	3.3
255.02898	3.2
258.01694	2.2
265.35046	1.8
269.04779	1.7
270.01648	7.6
271.02341	4.8
284.03113	2.1
289.07089	2.5
298.01108	4.0
299.02161	8.6
299.05240	3.0
300.02725	2.2
314.00821	2.2
315.01389	3.0
327.21680	4.0
367.24948	1.9
373.25824	4.2
395.07523	4.0
413.08813	2.0
414.09326	3.3
427.10178	10.8
445.11487	3.2
517.30096	4.2
533.22461	100.0
533.29565	3.4
534.22552	12.8
535.31116	3.4
576.27100	2.5
577.15436	28.1
577.28906	33.8
578.15906	7.4
578.29425	5.2
579.62134	2.0
593.82550	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	577.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95140	2.3
53.47332	2.1
57.03330	14.1
58.00470	3.1
59.01255	100.0
60.01595	2.6
61.98716	3.8
69.03301	3.0
71.01257	65.8
71.34724	3.4
71.35062	3.9
72.99184	13.2
73.02831	11.2
75.00748	54.7
78.86461	2.3
83.01263	10.1
83.48681	2.3
84.02039	2.8
85.02828	61.3
86.03171	2.7
87.00757	22.7
89.02323	19.8
94.83261	2.4
95.01279	6.9
96.95924	4.3
99.00770	21.6
100.57269	2.5
101.02338	19.1
108.02046	3.0
109.02867	3.0
111.00718	3.6
113.02341	54.7
115.00255	4.0
117.01850	2.5
119.03395	4.4
119.04946	3.7
125.02365	6.7
131.03470	4.3
134.03679	3.0
137.02367	5.8
151.00317	6.0
152.01103	2.8
157.01346	3.4
161.02408	3.9
161.04465	3.8
171.10141	3.2
173.04475	4.3
175.02399	7.3
175.03925	7.9
178.99896	3.6
185.11919	3.2
193.04955	2.9
201.11325	4.4
202.02515	2.3
205.05000	4.2
209.11708	5.5
214.02617	2.8
227.03499	4.9
242.02168	8.8
245.00859	6.1
249.06181	3.5
255.02997	9.5
270.01672	11.6
271.02484	9.9
283.02512	7.5
284.03214	14.8
285.03854	3.7
289.07016	3.3
290.07632	5.3
291.07590	2.9
298.01294	4.7
299.01999	19.0
299.05649	13.0
300.02670	7.4
314.00732	4.7
318.86438	2.6
327.21698	6.0
339.08533	2.6
355.24615	3.5
367.87045	2.5
373.25949	4.8
381.27872	3.1
395.08099	2.9
397.26282	2.5
414.09521	5.6
427.10532	8.8
445.11151	3.7
533.22394	97.6
533.28949	4.3
534.23035	14.5
544.98309	2.7
577.15509	44.0
577.28564	38.8
578.16022	6.2
578.28680	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.5
57.03320	4.7
59.01251	42.0
69.35493	9.6
70.09463	1.2
71.00894	2.1
71.01257	25.5
72.99174	6.5
73.02821	3.9
75.00745	36.1
82.39530	1.1
83.01254	3.8
83.68172	1.1
85.02823	34.9
87.00748	8.8
87.36463	1.1
89.02314	3.7
95.01281	5.1
97.02847	1.6
98.20525	1.7
99.00763	10.9
99.04330	1.1
99.08934	1.0
101.02312	7.0
102.61168	1.0
113.02332	33.1
115.00259	4.1
117.01807	1.6
125.02355	5.0
125.32846	1.1
129.01845	2.2
157.01262	1.7
161.04510	3.3
175.02464	7.1
242.02069	1.8
270.01355	1.2
299.02005	2.1
315.18027	2.7
327.21741	1.9
365.02274	1.1
377.07501	2.2
429.21222	2.4
443.33481	1.2
512.20581	1.1
533.22412	100.0
534.22736	16.9
577.15326	1.7
577.28082	5.8
578.27557	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	577.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.9
57.03326	8.7
58.59163	0.9
59.01251	48.6
62.51497	0.9
67.01750	1.4
69.03343	2.5
69.28420	9.3
71.01257	32.8
72.99183	6.9
73.02826	6.8
75.00747	42.0
83.01274	4.2
84.02095	1.0
85.02822	40.9
86.03163	1.0
86.13219	0.9
87.00755	9.7
89.02319	7.4
90.26648	1.0
95.01247	5.5
96.95908	2.6
99.00769	14.6
101.02357	8.0
103.00272	1.7
113.02329	46.9
115.00269	4.2
116.51106	1.0
117.01842	2.1
125.02376	2.5
129.01826	3.4
131.03421	1.0
144.58952	1.0
149.04453	1.7
157.01346	3.0
161.04462	3.6
171.10159	1.5
175.00342	1.0
175.02428	6.1
175.03745	1.2
209.57265	0.9
218.13214	0.9
299.01898	1.0
315.18091	2.5
327.21594	2.2
377.07285	2.5
399.10559	1.3
427.10211	3.6
429.21106	2.8
533.22382	100.0
534.22656	12.2
534.29938	3.2
535.29419	1.5
577.28571	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	577.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	6.8
58.05771	3.1
59.01255	17.7
62.33173	2.7
63.02265	5.2
65.00175	8.2
69.48959	14.1
69.49387	11.7
71.01243	9.9
72.99194	5.5
73.24928	3.7
83.01246	11.2
84.99054	3.2
85.02827	8.2
89.02319	4.9
93.03363	3.9
95.01303	3.6
96.84023	3.0
96.95917	4.4
99.00748	3.5
103.03891	3.2
107.01257	19.1
107.04919	2.9
109.02852	4.1
113.02329	4.1
121.02835	5.0
124.01551	9.8
125.02343	55.0
137.02339	9.0
149.02330	6.2
151.00273	100.0
151.47820	3.3
152.01077	26.1
153.01820	5.3
161.02356	4.9
163.00349	3.6
165.01775	6.8
165.40514	3.0
169.01277	10.6
177.01817	6.1
178.99782	84.1
179.03311	4.2
180.00179	4.0
189.01877	8.7
189.09052	6.3
193.01382	41.3
193.08557	4.4
199.03911	3.4
203.03371	3.7
205.01401	8.4
207.02834	8.2
219.02931	13.8
232.03645	4.3
242.44769	3.1
243.02930	3.6
243.06630	6.1
245.00838	5.4
255.02835	3.3
259.02493	8.8
259.09598	4.0
264.65524	2.8
269.04471	6.5
271.02386	6.6
275.02234	3.3
283.09567	3.5
287.09296	7.2
288.02640	6.0
289.03336	3.8
297.04068	8.2
297.11206	4.4
298.04630	7.0
299.01996	6.9
299.09274	5.9
300.02625	8.0
301.03546	16.8
301.10547	4.6
302.03391	4.0
311.09119	5.8
313.10754	11.4
315.02271	3.2
315.08752	5.2
315.12204	5.6
323.09274	8.7
325.03671	4.1
325.07248	5.6
325.10815	8.4
326.04309	7.7
326.07953	5.5
331.11951	6.5
339.08636	7.2
340.09433	5.8
341.10300	44.0
342.10846	7.3
343.11774	7.2
351.00861	2.9
351.08469	7.9
355.11417	4.8
357.09760	14.5
358.10040	4.8
359.11310	32.1
369.09756	75.7
370.10062	8.9
385.09128	3.8
386.09998	14.1
387.10843	63.4
388.11014	5.3
413.08783	4.1
427.62628	3.3
431.09866	10.1
487.16013	8.4
505.17062	7.5
515.15704	7.7
533.16632	25.6
577.15479	68.7
578.16296	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	577.1566
Annotation	Kaempferol 3-rhamnoside-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
57.03341	0.2
59.01251	3.6
62.01696	0.2
63.02254	0.2
64.85780	0.2
65.00191	0.6
69.03310	0.3
69.46423	1.4
69.46844	0.7
71.93021	0.2
72.99176	0.2
73.02821	0.4
75.00777	0.3
78.95779	0.3
83.01230	0.6
85.02839	0.8
87.00754	0.4
89.02313	1.2
93.03354	0.3
95.01277	0.3
96.95904	0.6
101.02333	1.3
107.01297	1.3
113.02348	1.2
119.03399	0.3
125.02337	0.4
127.05008	0.6
132.02097	1.0
135.00761	1.0
137.02367	0.3
145.06161	0.3
151.00253	2.5
152.99542	0.3
155.04898	0.3
159.04427	0.4
161.02472	0.3
163.00296	0.8
164.01118	0.5
165.01855	0.2
169.01381	0.4
171.04425	0.3
171.31839	0.2
178.99785	1.0
183.04454	1.0
185.02406	0.5
185.06020	0.4
187.03983	0.8
199.03926	0.7
200.04736	0.4
205.08627	0.2
211.03952	2.1
211.13309	0.6
212.04547	0.3
213.01762	0.2
227.03465	39.9
228.03848	3.3
229.05124	1.7
239.03503	1.1
240.04129	0.3
241.05119	0.3
255.02988	73.5
256.03479	8.6
257.04614	1.3
283.02267	1.2
284.03275	100.0
285.03864	19.2
286.04373	1.2
327.05212	0.3
327.21619	0.3
413.08728	1.2
431.09601	0.5
486.88791	0.2
517.26483	0.7
535.27545	0.4
559.14099	0.3
559.21881	0.3
577.15631	45.0
578.16052	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	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46291	1.3
54.92425	1.3
57.03329	12.8
69.66077	1.5
69.85802	1.4
75.22208	1.3
81.03321	2.0
83.01254	5.2
83.75948	1.5
85.02838	1.8
93.03337	2.3
95.04888	3.4
97.02828	4.4
107.04901	2.0
109.02835	20.0
121.02821	4.4
122.03603	2.1
123.04409	14.4
125.02349	100.0
126.02674	3.4
133.02849	3.7
133.60437	1.6
135.04393	3.9
137.02365	19.7
139.03906	2.6
149.02364	6.4
150.03041	2.1
151.03891	11.9
159.04442	2.5
160.05191	1.7
161.02367	29.8
161.05968	4.0
162.02957	2.0
163.03899	1.9
164.01007	3.6
165.01849	5.3
175.03922	10.8
176.93114	1.4
177.01881	7.0
179.03369	4.4
187.03969	7.5
188.04637	2.9
197.06070	1.7
201.05602	2.0
202.06258	3.0
203.07080	8.6
205.01347	2.7
205.04977	8.5
213.05461	2.5
221.08150	2.5
225.05466	1.6
227.03534	2.4
228.04713	1.5
229.04977	4.2
230.05635	1.6
243.02829	4.2
245.04536	5.1
245.08226	12.8
255.02927	8.5
256.03806	7.8
273.04004	5.1
281.04382	2.9
283.02563	3.3
285.03687	2.0
287.05713	8.7
289.07208	67.6
290.07565	4.1
297.04144	2.0
299.05554	5.0
339.08762	4.5
381.09607	1.7
407.07733	64.2
408.08118	5.3
425.08755	16.3
431.56018	1.6
451.10413	10.7
469.59607	1.5
516.51459	1.7
577.13306	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	12.7
59.01249	2.0
64.63310	0.6
65.23054	0.5
69.50437	2.1
69.50862	2.9
71.01254	1.3
73.02841	0.6
75.00759	1.1
79.95613	1.6
80.96397	1.2
81.03329	1.7
83.01263	4.5
85.02828	2.2
93.03346	1.4
95.01272	1.4
95.04919	2.2
96.95882	1.1
97.02854	3.1
98.20560	1.2
101.02332	1.0
103.33423	0.6
107.04946	1.2
108.02083	1.0
109.02845	18.1
110.03196	0.8
113.02336	1.6
119.02466	0.6
121.02838	3.8
122.03621	0.9
123.04417	12.5
124.01569	0.9
125.02348	100.0
126.02692	2.3
133.02858	4.6
135.04411	2.7
137.02351	19.5
139.03926	3.5
143.04903	0.7
145.02866	1.0
146.03745	0.9
147.04321	0.7
149.02333	4.3
150.03148	1.0
151.00327	0.6
151.03928	12.9
159.04446	3.2
160.05179	0.9
161.02364	26.3
161.05988	4.9
162.03067	2.4
163.00250	2.2
163.03943	3.2
164.01093	3.9
165.01816	5.3
166.02650	1.2
167.03433	2.1
173.06020	1.7
174.03169	0.9
175.03938	10.4
175.07616	1.3
176.01083	0.8
176.04471	0.6
177.01855	5.7
177.05482	1.1
178.02718	0.9
179.03458	3.7
181.05017	1.3
183.04385	0.7
185.06088	1.4
187.03926	7.7
188.04681	2.6
189.05470	0.9
199.03903	0.7
201.05531	1.8
202.06137	1.6
203.03439	1.4
203.07108	8.5
204.07478	0.9
205.01393	2.1
205.05013	7.9
213.05499	0.8
214.02647	0.7
215.03569	0.9
217.05040	1.7
217.08821	0.6
221.08177	1.8
227.03476	1.8
227.07063	1.1
229.05005	2.9
230.05823	1.2
231.02954	0.9
231.06570	0.6
243.02940	2.6
243.06766	1.3
245.04524	5.1
245.08170	11.9
246.04919	0.7
247.06129	0.9
253.04997	1.0
255.02971	9.2
256.03687	4.3
257.04623	1.8
269.04614	1.9
271.06104	1.1
273.04050	4.6
281.04510	3.3
283.02588	1.7
284.02997	1.1
285.04129	2.7
287.05679	7.0
288.02853	0.8
289.07199	66.4
290.07455	5.2
297.04160	1.5
297.07764	0.9
299.05624	6.0
329.06677	1.2
331.08215	0.7
339.08801	3.1
340.08945	0.8
365.22830	0.6
381.09744	3.1
407.07715	56.6
408.08136	8.1
425.08780	17.4
426.09323	1.7
449.08731	0.7
451.10306	9.6
452.10629	1.9
507.87466	0.7
559.18829	1.0
577.13843	3.2
577.21838	1.4
578.14063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.1
61.66981	0.5
61.98704	8.5
69.06573	0.5
71.01242	2.1
78.95780	13.9
78.98473	1.4
79.95600	2.7
80.96396	16.2
84.08720	0.5
85.02834	1.2
87.00746	0.6
94.97971	3.4
98.20593	1.2
106.97972	0.7
121.02837	4.4
122.00086	0.7
122.03126	0.7
122.97458	0.9
125.02345	1.0
134.97449	1.3
136.98985	0.6
138.32822	0.5
140.01077	2.9
143.10480	0.5
144.81975	0.5
147.04413	0.6
148.99042	1.3
152.98497	1.2
152.99525	1.3
163.03973	0.6
164.98521	2.5
171.00522	0.7
171.10072	0.9
178.44557	0.6
191.03453	2.7
192.03754	1.9
196.03758	1.0
196.89433	0.5
205.32874	0.5
209.11790	1.6
211.13342	0.6
214.04829	2.9
225.00679	1.9
229.76625	0.6
277.21735	1.2
309.20758	0.5
313.22079	0.6
347.25919	8.3
348.26382	0.7
379.28537	100.0
380.28864	11.5
383.33374	0.5
501.76410	0.7
576.32922	10.6
577.26758	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	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	13.2
57.27085	3.3
59.01240	4.4
61.06777	3.5
61.18845	2.8
63.57544	3.4
65.35914	3.2
68.76436	3.3
69.94528	17.1
70.92812	3.5
71.01254	5.9
75.00786	5.3
83.01255	5.8
85.02802	5.0
96.95911	3.4
109.02843	23.5
113.02338	4.4
119.04851	4.6
120.05328	3.9
123.04427	12.1
125.02341	100.0
126.02697	4.4
133.02924	4.8
134.21310	3.1
137.02342	17.7
137.11540	3.5
142.65765	3.0
149.02341	6.5
151.03941	12.4
159.04454	5.7
160.98663	3.0
161.02368	27.1
163.00299	3.9
163.03926	8.5
163.78342	3.0
164.01057	7.5
165.01791	7.7
175.03918	11.3
177.01877	6.5
179.03439	5.4
187.03922	11.1
201.05585	3.6
203.07071	8.9
205.04962	4.7
221.08018	3.7
245.08234	9.0
255.03006	8.3
256.03787	8.0
281.04666	3.9
287.05499	7.6
289.07166	59.3
290.07626	7.2
299.05585	4.0
368.84290	3.7
381.09204	3.3
407.02847	5.3
407.07755	56.7
407.63464	3.4
408.07999	7.0
425.08929	21.8
451.10281	8.3
492.01257	4.5
577.17767	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	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25779	0.3
59.01251	1.3
61.98707	100.0
62.98421	0.3
63.86462	0.3
66.06952	0.3
68.25113	0.3
70.44528	0.3
71.01263	0.5
78.95788	3.0
79.95615	0.7
80.96391	2.4
89.02308	0.3
94.97995	0.4
98.19724	0.5
120.49174	0.3
151.00287	0.4
152.99536	0.5
164.98593	0.4
171.00609	0.5
178.99918	0.6
186.91797	0.3
196.14470	0.3
209.11804	1.5
225.00806	0.4
229.75339	0.4
253.09509	0.4
255.10025	0.5
277.21671	2.3
278.22104	2.8
279.22360	1.5
280.22720	0.9
328.10623	1.1
328.60754	0.5
422.94711	0.4
576.33508	1.3
577.26599	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	576.331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	21.6
70.09258	1.1
71.01260	0.4
72.35710	0.2
73.12148	0.2
78.95778	8.2
80.96392	0.3
83.04889	0.2
127.07558	0.2
144.04831	0.2
152.99492	1.7
164.85782	0.2
168.04233	1.9
209.11865	0.4
211.13249	0.4
211.78828	0.2
224.06897	1.5
233.22708	0.4
242.07954	3.4
259.20569	0.6
275.20233	0.6
277.21722	100.0
278.22079	8.9
393.43961	0.2
502.29425	26.5
503.29684	3.6
576.25281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60755	0.4
59.01254	2.4
60.01582	0.6
61.98707	100.0
71.01270	1.1
71.35282	0.6
71.35615	0.7
72.41442	0.4
78.95792	1.5
79.95612	1.2
80.96407	4.8
94.82253	0.5
94.97965	0.7
110.48012	0.4
119.14841	0.5
127.41700	0.4
136.27310	0.4
136.71161	0.4
136.98828	0.5
152.98582	0.5
174.36328	0.4
182.49948	0.5
209.11821	0.4
225.00734	1.4
255.09932	0.8
277.21695	2.7
278.22116	5.5
279.22403	3.1
280.22797	1.8
386.94031	0.4
442.99780	0.5
504.05054	0.7
577.26898	8.0
587.40326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00983	1.5
59.01258	14.7
64.17392	0.9
70.19008	2.4
70.19415	1.6
71.01266	3.4
78.95787	2.1
80.96315	0.9
83.01306	0.9
85.02825	1.4
89.02296	2.8
90.59576	0.8
101.02356	3.3
108.02061	20.6
109.02843	10.3
113.02357	1.7
119.03376	1.1
145.84883	1.0
152.01068	13.4
153.01820	6.1
161.04451	1.8
168.73305	0.9
168.74916	0.9
189.11693	1.0
209.11726	1.7
225.11169	1.2
235.08101	1.3
253.09248	16.8
279.23297	100.0
280.23563	8.7
293.21271	0.9
361.52466	1.0
362.24167	0.9
563.45593	1.0
575.28601	17.8
576.28711	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	575.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92577	0.3
55.01767	0.9
57.03331	2.4
57.41289	0.3
58.00478	1.4
59.01255	100.0
60.01597	1.2
61.98721	0.6
68.89738	0.4
69.03366	0.6
69.23501	3.0
69.23933	1.8
71.01260	13.2
72.99186	1.5
73.02836	2.9
75.00771	1.6
81.03338	0.5
83.01275	3.7
83.06502	0.4
85.02830	9.3
85.99963	0.9
87.00768	2.3
87.04392	3.1
88.40019	0.4
89.02320	1.1
95.01269	2.3
97.02846	1.4
99.00781	2.6
99.04437	0.4
101.02338	5.1
102.26721	0.4
111.00783	1.5
112.01582	1.2
113.02333	6.5
115.03890	0.5
124.01567	0.8
125.02370	1.8
141.12779	1.2
143.03407	1.6
153.12784	1.6
157.12257	0.4
161.04491	1.2
167.14395	0.8
169.12263	1.3
171.10133	2.1
171.13828	1.7
174.01633	0.4
175.03967	0.5
183.13869	0.7
185.11755	1.0
191.05623	0.6
199.75323	0.5
201.14937	1.6
325.27603	1.3
327.29169	0.7
353.27106	1.2
371.28082	7.9
372.28491	0.8
413.29276	1.2
467.29916	0.8
471.33551	0.5
485.31296	1.4
497.31555	0.8
515.32275	94.1
516.32635	11.7
533.33344	22.1
534.33795	3.2
547.69897	0.5
575.14398	0.6
575.26843	3.1
575.34576	1.6
576.27142	0.7
596.67908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.7
57.03325	6.0
58.00468	1.0
59.01252	22.5
67.01756	0.7
68.99697	1.2
69.31022	4.6
69.31445	3.9
71.01255	30.1
72.99178	6.9
73.02820	3.9
74.02371	0.8
75.00749	30.4
83.01255	5.5
83.04897	0.8
85.02829	36.7
87.00751	6.6
89.02311	4.5
95.01250	4.3
97.02831	1.4
99.00758	10.7
101.02330	6.1
103.00272	1.3
109.02837	2.8
111.00760	4.5
112.01495	1.1
113.02332	29.7
115.00237	2.5
117.01828	1.5
119.03387	1.3
119.04904	1.5
123.04414	1.8
125.02309	2.4
129.01819	1.7
137.02339	1.0
151.00195	0.8
157.01317	2.3
161.04523	1.5
161.51189	0.8
163.03920	1.0
174.01634	1.3
175.02406	4.5
175.03806	1.3
188.39745	0.8
194.46167	0.7
203.07143	1.2
205.04903	1.2
210.57097	0.8
245.08092	1.5
261.28262	0.8
275.08835	0.8
289.07214	7.7
335.06113	2.1
420.19458	1.0
469.59729	0.8
531.27948	0.9
575.27075	100.0
576.27527	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	575.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61449	0.5
57.03342	0.6
59.01250	6.8
62.78702	0.5
71.01254	2.7
73.02830	0.6
79.19862	0.6
81.03353	1.2
83.01268	0.6
85.02827	3.4
89.02332	1.6
93.03367	0.5
95.01278	3.8
101.02324	2.7
108.02061	100.0
109.02874	27.9
110.03200	1.2
113.02353	1.5
121.02822	0.6
123.00816	2.7
125.02361	0.8
133.02798	0.6
135.00832	0.6
135.04379	0.7
151.03952	1.3
152.01071	62.1
153.01865	17.8
154.02113	1.0
161.04576	0.8
165.01874	1.0
207.10204	0.6
253.09325	6.9
266.96036	0.6
277.21783	2.9
279.23306	32.8
280.23679	2.8
315.07260	1.0
329.44296	0.6
382.99350	0.5
575.28632	72.0
576.28931	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	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.2
57.03322	6.3
59.01255	15.7
66.65280	0.4
68.99697	1.3
69.03335	1.1
70.54865	1.9
71.01257	28.1
72.91171	0.5
72.99184	5.1
73.02808	3.5
75.00751	26.3
79.87901	0.5
83.01263	4.8
84.02060	0.7
85.02827	31.9
86.03193	0.6
87.00756	9.3
89.02325	3.5
95.01260	4.5
96.95903	2.3
97.02809	1.4
99.00774	10.3
101.02323	5.6
103.00249	1.1
111.00776	5.4
112.01566	0.5
113.02336	29.1
114.02676	0.9
115.00278	3.0
117.01839	1.8
125.02376	0.6
129.01837	1.7
129.08130	0.5
157.01358	1.6
159.02861	0.8
161.04472	2.1
175.02412	4.3
189.81081	0.5
312.92279	0.6
335.06186	4.3
411.07590	0.5
575.27100	100.0
576.27417	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	575.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18195	0.5
55.01759	3.7
57.03329	7.3
58.00461	1.1
59.01255	20.3
61.98740	0.7
63.28799	0.7
64.97753	0.6
68.94627	0.6
68.99690	1.4
69.03340	1.7
71.01257	29.4
72.99171	5.2
73.02819	4.7
75.00748	29.8
83.01267	5.9
85.02827	41.9
86.03125	0.6
87.00755	10.7
89.02311	4.7
93.03357	0.9
95.01271	4.9
97.02846	1.0
98.19804	1.1
99.00758	11.9
101.02325	6.1
103.00266	1.0
111.00778	7.3
112.01516	0.8
113.02332	32.6
115.00238	2.3
117.01830	1.9
119.03392	1.4
125.02320	1.3
129.01869	3.1
131.03389	1.0
137.02356	2.2
148.80203	0.7
161.04454	1.5
163.03821	0.7
174.70038	0.6
175.02357	4.7
178.99721	1.1
193.03473	0.9
255.03026	0.8
284.03296	1.5
285.04025	3.6
311.04916	0.8
335.06064	4.5
441.06158	0.7
531.20508	1.0
575.27118	100.0
576.27368	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	575.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.8
57.03329	1.5
58.00465	3.0
59.01252	100.0
60.01588	0.9
69.03341	2.3
71.01254	55.8
71.57587	0.4
71.57980	0.6
72.99184	3.5
73.02818	23.2
75.00748	1.3
78.95764	0.4
80.96384	0.9
83.01262	8.4
85.02825	12.3
87.00745	2.4
89.02317	42.6
90.02652	0.6
95.01253	5.4
96.95895	1.0
97.02831	1.4
99.00751	1.6
101.02324	37.1
102.02605	0.6
109.02863	0.5
113.02331	31.4
114.02670	0.7
119.03387	15.5
123.04364	0.5
125.02325	2.4
131.03418	3.9
132.25160	0.4
135.04288	0.4
136.86455	0.4
143.03392	3.9
149.04430	2.9
151.00287	0.9
151.03827	0.6
152.00954	0.4
155.03384	0.6
161.04469	7.0
163.03841	0.7
178.99710	0.5
179.05516	4.5
185.00714	0.6
191.05602	0.5
203.05437	0.8
205.54820	0.4
221.06395	0.8
530.49738	0.4
575.18768	0.5
576.22229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08708	2.6
50.13289	2.6
56.57427	3.1
57.03311	3.4
59.01247	22.3
59.68266	2.5
68.99658	3.3
69.32124	25.7
71.01254	26.9
72.99174	8.7
75.00746	26.5
83.01268	6.7
85.02831	31.2
87.00759	12.3
89.02337	4.9
91.03856	3.5
95.01276	6.8
99.00753	20.0
102.42122	3.5
103.00290	3.0
109.02875	3.1
113.02333	31.6
115.00253	2.8
117.01816	2.4
117.03367	8.3
119.04929	100.0
120.05279	4.7
125.02341	5.8
129.01831	4.4
133.18422	2.8
145.01733	2.4
145.02858	49.7
152.07321	3.2
157.01286	3.7
163.03920	74.1
175.02449	3.2
190.76413	3.0
237.07651	8.2
243.02951	2.8
249.06186	24.0
267.07242	49.2
298.71057	2.8
311.53683	2.9
351.10602	5.8
352.05276	2.9
357.01031	2.9
375.79800	2.7
395.09998	19.6
413.10931	39.3
476.33496	2.9
575.16101	71.8
576.16785	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	575.2114
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
51.07932	1.2
51.27552	1.1
54.06110	1.0
55.28575	1.0
59.01262	12.2
66.37332	1.0
71.01268	8.9
72.01554	1.2
73.02818	2.3
75.00756	1.2
78.95782	52.8
79.95580	1.0
80.02556	1.7
80.96377	2.4
81.03329	2.0
82.98946	1.2
83.04903	6.9
84.02050	2.1
84.05182	1.0
85.02823	3.7
86.50201	1.2
86.99521	1.1
87.00749	1.4
89.02326	6.0
96.95906	6.7
96.96832	8.9
99.00764	1.5
101.02332	4.7
113.02332	5.2
119.03371	1.3
125.09630	1.3
137.71870	1.2
152.99504	55.3
163.11240	6.1
165.12747	3.5
171.00594	1.7
209.11781	100.0
210.12123	4.6
223.00114	5.8
227.12862	12.9
241.01207	20.7
242.01631	1.2
245.03215	1.1
253.02098	1.1
259.15359	1.2
284.73978	1.1
315.04846	9.2
333.06219	1.1
543.18744	6.3
557.19397	1.7
575.21094	94.0
576.21649	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	575.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64795	1.0
57.03311	2.6
59.01248	22.7
61.98698	3.4
65.00216	1.4
66.32376	1.1
69.03336	2.8
71.01255	14.6
71.54593	1.1
71.57876	1.6
72.99187	3.3
73.02827	4.6
74.02338	1.5
75.00745	9.2
79.95611	2.5
80.96389	2.2
83.01259	3.9
84.38323	1.1
85.02824	13.1
87.00738	5.2
89.02311	6.6
93.03323	1.6
94.21200	1.1
95.01274	3.4
96.95847	5.6
99.00750	4.8
101.02342	6.4
107.01264	3.7
109.02785	2.7
111.00739	1.4
113.02322	13.6
115.00253	2.1
119.03413	1.2
119.04944	3.9
121.27631	1.2
123.04389	1.3
124.23425	1.1
125.02319	3.4
129.01802	1.7
132.02068	2.8
134.03618	3.4
134.53081	1.4
135.02899	4.5
137.02336	1.5
145.02831	2.4
149.05957	2.3
151.00259	7.8
151.03880	1.3
152.01120	1.9
157.06528	1.9
159.04431	1.7
160.01552	3.0
161.04465	1.8
163.00262	3.4
163.03938	2.4
169.01309	1.3
169.06357	1.2
173.04555	1.8
174.01674	1.2
175.02403	2.3
175.03935	3.2
178.99803	6.1
184.05095	1.3
187.03931	4.4
191.05449	1.2
193.01402	1.5
193.03351	1.3
193.05014	1.4
193.46617	1.3
199.03951	2.4
211.03937	3.8
213.05527	2.7
214.56557	1.2
227.03468	25.7
228.03716	1.4
229.04985	9.9
237.07658	2.2
239.03389	2.5
241.05130	1.6
243.02837	3.7
249.06148	3.1
255.02960	53.1
256.03488	6.0
257.04581	7.4
267.06982	1.9
270.01697	2.2
271.02448	11.8
272.03000	2.1
283.02426	3.5
284.00027	1.4
284.03256	57.6
285.04016	100.0
286.04520	7.6
299.01996	10.0
300.02701	12.2
301.03439	11.0
369.13443	3.0
397.09204	1.5
445.07568	5.5
447.09268	10.8
471.09094	2.5
531.11493	16.0
531.19604	1.9
531.27954	1.9
532.11578	2.1
533.29370	6.6
557.26544	1.3
575.12622	2.0
575.27490	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	574.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.4
57.03327	1.7
58.00471	1.3
59.01251	77.4
60.01588	1.0
61.98711	1.5
68.35345	0.4
69.43288	4.2
71.01254	24.7
72.99181	1.9
73.02828	4.2
75.00743	1.6
78.95810	0.7
82.66248	0.4
83.01256	3.0
85.02824	10.6
87.00760	2.7
89.02319	16.9
95.01282	2.7
95.04889	0.5
97.02856	0.5
99.00747	3.1
101.02324	17.9
113.02322	11.5
114.09143	0.6
115.00254	0.6
115.07523	4.0
119.03407	5.6
119.04922	1.9
125.02320	2.0
131.03448	1.1
131.87775	0.5
137.02470	0.5
137.09647	1.4
143.03398	1.2
149.04533	0.6
151.00294	1.9
152.01097	0.8
155.10683	2.8
156.10170	2.7
157.08682	0.9
158.11777	7.8
159.02931	0.9
161.02368	0.6
161.04471	2.3
163.03902	2.2
165.01910	0.5
171.10176	0.7
177.01854	0.7
178.99783	1.1
179.05554	2.5
185.11630	0.5
190.18312	0.5
191.14349	0.6
193.01427	0.7
194.15494	0.6
197.11803	0.6
205.01332	0.9
209.11638	0.5
209.15535	0.6
209.19106	1.6
211.13496	0.5
211.16972	0.5
214.02628	0.8
217.01428	1.7
225.11137	0.6
227.24568	0.5
233.00867	1.8
236.16443	0.7
241.01497	1.1
242.02237	2.5
245.00874	1.2
259.05994	0.7
270.01709	2.7
271.02573	0.7
298.01184	1.4
299.01910	0.7
320.17114	5.0
339.08804	0.7
349.12775	0.5
367.08102	3.0
368.01636	1.3
411.07324	3.7
428.11090	1.4
476.24951	1.8
514.30640	0.8
515.32227	5.3
533.33209	1.0
556.31317	6.6
557.32031	1.3
574.32343	100.0
575.17017	5.7
575.33173	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	574.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07697	0.5
53.48224	0.5
55.01755	2.3
57.03317	2.5
58.00457	1.8
59.01254	69.3
60.01580	1.1
60.78032	0.6
61.98688	1.2
68.09100	0.5
69.03324	0.6
69.28064	6.1
71.01254	26.7
72.99178	2.9
73.02830	4.3
75.00748	5.2
78.95796	0.7
82.76652	0.6
83.01254	3.6
85.02827	14.1
87.00764	3.3
89.02320	17.4
92.94325	0.5
95.01260	2.5
97.02826	1.1
99.00761	3.9
101.02324	18.7
111.00796	0.8
112.98733	0.9
113.02337	14.4
115.03973	0.6
115.07514	4.3
119.03389	5.8
119.04940	1.1
121.02850	0.7
125.02349	1.4
125.09564	0.7
131.03409	0.7
137.02292	1.1
137.09647	1.0
143.03433	0.8
149.04488	0.6
151.00294	1.0
155.10681	1.8
156.10188	2.8
157.08546	0.8
158.11774	8.5
159.02887	0.8
159.74261	0.6
161.04468	2.1
168.13857	0.9
169.12173	0.8
171.10144	0.8
173.04465	0.9
174.01654	1.4
178.99808	1.0
179.05542	2.5
190.02631	0.6
192.69058	0.7
195.08281	0.6
197.11963	0.6
199.09799	0.8
201.11313	1.1
209.11754	2.2
209.15422	1.4
209.18941	0.9
226.34898	0.6
233.00969	3.3
271.02444	0.9
299.01880	1.3
300.02740	1.0
320.17200	6.0
338.35461	0.6
365.05118	1.1
411.06863	1.1
458.24954	0.8
476.25024	1.8
496.29086	0.8
514.30334	1.4
515.31885	1.6
531.28687	0.7
543.11890	0.6
556.31311	6.9
557.31464	1.2
574.32361	100.0
575.14191	1.8
575.26410	8.4
575.32941	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	571.2894
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.00300	0.7
66.96659	0.6
70.34374	1.6
70.34751	2.4
71.28839	0.8
78.95784	66.7
96.96844	15.4
134.98404	1.0
140.83038	0.7
150.73613	0.8
150.97975	1.1
152.99507	64.1
153.99837	1.3
169.39426	0.7
189.30124	0.8
223.00095	1.7
241.01160	31.3
242.01509	1.4
255.23294	74.3
256.23621	5.7
301.51279	0.9
315.04868	10.5
316.05057	1.0
391.22540	7.5
392.23193	1.1
571.28912	100.0
572.29333	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	573.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.3
56.55653	0.6
59.01252	100.0
60.01607	0.8
61.98720	0.6
69.03336	0.9
70.66096	0.5
70.67898	0.5
71.01257	13.2
72.99165	3.0
73.02804	2.5
73.26208	0.5
75.00748	0.7
78.95783	1.0
83.01260	3.7
85.02825	7.0
87.00768	1.5
89.02336	1.3
95.01270	1.7
97.02838	1.9
98.20570	1.2
99.00775	1.9
101.02326	4.9
104.12518	0.5
109.02889	0.7
111.00733	1.2
112.01550	1.3
112.98728	0.6
113.02317	4.5
115.97014	0.5
124.01646	0.6
125.02371	1.7
127.11170	0.6
129.01828	0.7
136.07495	0.5
137.02345	2.1
137.03307	0.6
143.03400	1.1
150.03174	0.7
157.12285	2.1
161.04497	1.0
165.01869	1.4
167.14311	3.3
171.10234	1.0
174.01587	0.6
183.13821	1.0
196.15059	0.6
209.11768	1.0
211.13394	1.3
227.12828	0.6
267.64899	0.6
280.57138	0.5
287.05591	1.0
291.19791	0.9
309.20459	0.8
317.16159	1.3
325.27509	1.0
367.10269	0.6
369.26462	7.7
370.26657	1.2
465.28574	1.0
483.29633	0.9
495.29456	1.2
513.30670	79.0
514.30981	11.4
531.31769	21.3
531.40063	0.6
532.31964	3.2
555.32208	2.7
573.33044	1.3
574.25183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3004
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
54.54560	0.8
55.05994	0.8
59.01260	1.4
63.96117	1.3
69.53432	6.9
71.01269	7.9
72.99199	0.9
73.02798	1.2
78.98467	7.1
79.95625	10.3
80.96397	74.4
85.02836	3.0
87.00739	2.6
94.97971	17.0
96.95879	1.3
97.02859	1.8
101.02327	3.1
106.97996	3.1
122.97491	3.3
125.02338	4.7
134.97490	4.9
136.99054	1.2
148.99049	6.9
152.98526	5.9
164.98558	11.6
168.00568	1.7
188.98526	1.2
206.99640	1.3
213.18636	0.9
225.00777	14.1
225.24760	1.0
245.55719	0.9
269.24832	1.5
299.04465	3.7
313.77615	0.9
465.24469	0.9
569.30029	100.0
570.30432	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	567.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	56.4
61.15894	2.0
61.98709	6.0
68.83086	1.9
69.03326	2.1
69.26716	2.1
69.33519	6.8
69.33945	16.6
71.01241	11.9
71.04885	4.3
73.02850	2.2
78.95779	4.6
80.96387	6.0
83.01244	3.7
83.04890	2.6
85.02824	2.6
89.02316	4.9
101.02335	4.6
127.24543	2.4
131.57208	2.3
152.99466	5.2
175.39406	2.6
203.05557	3.9
204.11491	7.1
205.12328	7.7
211.13338	3.4
221.15475	8.7
231.17386	4.5
233.15399	6.1
300.02655	2.6
301.21686	3.7
303.19589	7.0
319.22772	100.0
320.23132	9.2
523.29449	8.4
567.24573	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	567.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58480	100.0
77.59638	54.4
217.90002	60.4
231.11147	56.7
273.50470	56.5
338.75568	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19435	0.8
57.03320	2.5
59.01252	100.0
67.05392	2.0
69.03326	4.2
71.01250	16.1
71.57485	1.3
72.99176	1.8
73.02809	1.7
78.95793	1.1
81.03320	1.2
83.01251	1.5
85.02830	4.8
87.00770	2.4
89.02307	11.3
95.01260	1.4
95.04919	0.8
96.95892	8.5
97.06468	2.5
99.00782	1.2
99.92532	0.9
101.02319	10.6
107.04919	1.5
109.06454	5.8
111.03628	1.7
111.04406	36.1
113.02325	5.4
119.03391	3.5
119.04919	0.9
123.04419	3.2
125.02339	1.3
125.05960	4.0
125.09624	2.5
130.28906	0.8
134.03693	0.9
135.04396	1.6
150.03079	0.9
153.05453	1.5
163.07477	1.4
163.11201	7.0
165.05479	0.9
169.08611	1.6
171.10179	2.8
181.08614	13.3
185.23550	0.8
190.02596	1.2
193.08656	1.6
199.09703	2.4
207.10184	17.0
217.07967	0.9
223.09795	2.5
225.11313	1.6
311.73022	0.9
369.15527	11.9
370.15601	0.9
379.00269	1.0
387.16617	37.9
388.16913	2.7
418.07938	0.8
481.20743	5.2
485.58694	1.0
539.24921	22.2
540.25513	3.1
551.24951	86.0
552.25385	12.3
569.26617	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	567.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89893	2.4
56.07297	2.5
59.01255	59.7
61.98708	7.2
69.29611	2.4
70.98840	2.6
71.01257	14.0
72.99170	3.1
73.02815	4.6
78.95785	12.9
80.96392	4.5
81.03301	2.5
83.04916	2.9
85.02811	5.0
86.38815	2.5
89.02353	3.0
101.02321	7.0
102.80993	2.4
113.02295	3.3
152.99486	5.4
203.05540	6.0
204.11517	4.2
205.12259	7.4
211.13367	4.4
221.15422	7.1
231.17462	5.8
233.15344	6.3
271.02524	7.1
281.08917	2.6
300.02713	5.4
303.19623	6.1
308.38922	3.3
312.28159	2.5
319.22784	100.0
320.23035	10.0
322.16632	3.1
335.38019	2.8
368.08948	3.0
433.07813	5.4
493.28568	2.8
501.13663	3.9
523.29181	9.1
567.24835	7.9
567.32428	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	567.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.1
56.53395	0.9
57.03328	4.0
58.00449	1.1
59.01254	23.5
68.99698	1.2
71.01257	28.1
71.58043	1.4
72.99167	5.2
73.02834	4.4
74.07706	0.9
75.00311	1.1
75.00749	28.4
83.01277	3.5
85.02828	32.9
87.00758	8.8
89.01808	1.5
89.02319	10.4
95.01292	4.5
99.00755	12.0
101.02339	9.7
103.00211	1.0
111.00777	3.5
113.02344	31.6
115.00293	3.2
117.01827	1.8
119.03403	1.6
129.01823	2.1
136.07599	1.8
139.00328	2.6
150.03200	1.4
161.04491	1.8
162.03201	2.2
172.25146	1.0
173.04521	1.6
175.02454	4.3
177.05566	1.2
194.05756	1.1
195.06693	1.5
209.08240	2.2
209.11768	0.9
213.49989	1.0
229.18095	1.9
249.06207	2.2
267.07193	11.2
269.13986	2.5
281.09286	4.2
449.19992	1.2
489.19986	3.1
507.20847	1.4
549.17438	2.1
567.26703	100.0
568.27045	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	567.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62187	0.9
57.03320	4.3
59.01251	38.0
61.98717	1.1
67.05402	2.1
68.99689	2.2
69.03338	7.1
71.00954	1.1
71.01274	14.8
72.99187	7.2
73.02824	2.4
75.00748	13.9
78.95792	1.3
82.34006	1.0
83.01248	1.9
83.04916	1.6
85.02831	17.6
87.00753	6.4
89.02331	5.1
93.03327	2.7
95.01272	3.1
99.00765	7.9
101.02327	3.1
103.00284	1.7
108.02105	1.3
109.02845	3.9
111.00765	1.2
111.04402	29.8
112.04768	1.2
113.02332	15.5
113.09602	1.2
113.18372	0.9
113.99434	1.2
115.00259	3.9
119.04934	1.7
121.02867	3.0
124.01511	1.0
125.02333	2.2
125.09612	4.3
127.03892	1.5
129.01826	1.6
134.03600	1.7
135.04410	3.4
136.01607	1.6
137.02374	8.4
147.00810	1.6
149.02336	2.7
149.05965	1.7
150.03096	2.0
151.00279	1.8
151.03903	1.7
152.01082	2.6
159.28273	1.0
162.03110	1.6
163.03958	4.0
164.01027	1.1
165.01851	19.9
165.05525	1.4
168.00476	1.4
169.08656	1.4
175.02405	3.0
175.03984	1.1
176.04785	1.0
177.05499	1.9
179.03398	9.8
179.07040	1.7
180.04135	4.3
181.08618	13.3
193.05032	1.5
194.05756	2.5
195.06517	2.4
195.09737	1.0
199.09694	47.6
200.10017	2.2
209.08098	1.3
223.06087	3.1
237.18491	1.5
249.06117	6.9
255.17114	1.8
255.19637	16.1
257.17578	31.1
258.18057	1.5
267.07217	2.3
273.20892	1.3
297.11307	3.1
299.18649	2.9
317.19870	6.2
325.09363	3.3
331.06879	1.4
337.09525	1.4
345.13229	1.3
356.11169	2.8
357.38004	1.1
359.14972	1.5
385.11539	3.5
391.23322	3.2
474.14661	1.1
505.26416	1.6
507.24301	1.9
517.15314	1.1
533.52570	1.1
537.20801	4.1
549.25598	3.9
552.20166	4.0
567.27509	100.0
568.28223	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	567.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07625	0.9
55.01757	1.6
57.03297	3.0
58.00463	1.1
58.36488	1.0
58.79844	0.9
59.01254	40.1
68.99670	1.7
69.03295	1.9
70.40153	3.7
71.01259	35.1
71.02431	0.8
72.99192	7.5
73.02825	8.8
75.00370	1.0
75.00752	16.2
83.01256	1.9
85.02362	1.3
85.02828	21.0
87.00761	7.0
89.01846	1.2
89.02322	21.9
93.03331	1.9
95.01238	4.2
99.00773	9.4
101.02342	5.9
103.00279	2.1
108.01955	1.4
109.02857	1.0
111.00739	1.3
113.01646	1.4
113.02337	22.0
115.00239	1.3
117.01798	1.8
119.03350	3.9
121.02772	1.6
122.03539	2.7
129.01775	1.9
131.03362	1.7
149.02359	6.7
150.03152	24.0
161.02342	1.2
161.04469	2.0
164.04709	1.8
165.05507	23.3
167.10696	13.6
169.12267	7.0
175.02434	1.6
175.15044	1.1
179.03374	1.6
179.05458	1.6
180.04131	2.3
185.11766	5.6
194.05679	2.0
195.06599	16.0
196.06946	1.4
209.08047	3.7
231.05031	1.4
249.06085	8.4
267.07111	2.5
269.13852	2.5
284.53201	1.1
314.99503	3.3
317.16077	9.7
342.10843	0.9
357.13467	9.4
358.13605	1.2
405.15195	1.3
419.19168	1.9
449.20218	1.7
495.05679	2.1
523.27118	2.2
537.40375	1.1
549.21307	2.1
567.22614	100.0
568.23212	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	567.2295
Annotation	Chinikomycin A
Peak:m/z	Relative Intensity
55.01746	1.0
57.03085	0.3
57.03321	4.1
58.00460	0.5
59.01252	30.7
60.01581	0.5
67.01772	0.5
68.99677	0.6
69.03333	1.4
71.01255	17.0
72.99181	4.1
73.02827	3.6
75.00749	20.5
80.29091	0.3
81.73112	0.2
83.01256	2.4
83.04887	0.3
84.02055	0.3
85.02824	23.0
87.00750	6.4
87.04387	0.6
89.02319	4.7
93.03321	0.3
95.01267	3.7
97.02827	0.6
99.00758	8.3
99.04385	0.8
101.02327	3.9
103.00244	1.4
111.00775	1.4
112.01563	0.5
113.02332	29.3
114.02680	0.6
115.00249	2.6
116.00983	0.4
117.01827	2.0
119.03371	1.2
125.02325	0.6
127.01347	0.3
129.01854	1.7
129.60516	0.3
131.03400	0.7
131.78763	0.3
139.00270	0.3
141.01822	0.7
153.01881	0.3
157.01329	2.0
158.10677	0.3
161.04482	0.6
167.31749	0.3
173.04533	0.5
175.02388	4.7
187.13301	1.9
191.05627	0.4
193.03575	0.3
201.03986	1.0
216.73586	0.3
230.07057	0.3
230.50984	0.3
230.98318	0.3
275.04123	0.4
331.17633	0.6
349.18692	1.1
377.07281	5.3
395.08591	0.6
507.20844	1.1
515.05450	0.3
549.21527	1.4
567.22931	100.0
568.23279	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	565.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10735	0.3
55.01750	2.1
57.03320	5.0
58.00467	1.2
58.02874	0.4
59.01253	94.6
60.01587	0.8
68.99712	0.5
69.03327	1.6
69.23914	3.1
69.24337	1.2
71.01255	18.5
71.04921	0.3
72.01559	0.5
72.99191	1.2
73.02824	5.6
75.00765	1.1
79.06529	0.4
81.03348	0.4
83.01266	5.2
85.02827	13.6
87.00778	1.9
87.04404	1.4
89.02335	1.4
95.01277	3.5
97.02833	1.2
97.06493	0.5
99.00731	2.1
101.02329	12.0
111.00782	2.5
111.08056	0.5
112.01574	1.3
113.02332	9.9
113.03066	0.7
113.09595	0.4
115.08656	1.4
116.92739	0.6
118.06569	0.6
119.03398	0.4
119.04917	1.2
123.08051	1.1
124.01564	0.8
125.02359	2.2
125.09633	0.4
127.11224	1.1
129.01857	1.0
130.75722	0.4
132.02069	0.7
134.03691	0.7
137.09665	0.8
139.11201	1.2
141.06561	0.9
141.09172	0.5
141.12805	0.6
143.03433	2.0
143.10643	0.5
153.09106	0.6
155.10675	1.2
157.12245	1.9
159.02899	1.6
160.01572	2.5
161.02295	0.5
161.04495	1.7
167.10660	0.5
169.12228	0.5
171.10434	0.4
171.13869	2.3
175.03879	2.5
180.06636	1.1
187.13339	3.2
193.04910	0.5
201.14894	3.0
217.14523	0.8
227.07103	2.1
230.15172	0.4
256.03488	0.4
269.00879	0.8
270.01401	0.8
271.01627	0.8
279.13574	1.3
281.16513	0.8
284.02881	0.6
285.00510	0.5
285.03442	0.6
286.00729	1.0
287.01025	1.2
297.00449	1.6
298.00842	1.8
299.01071	1.8
300.01947	0.5
301.03046	0.8
302.03439	0.5
311.02002	0.9
312.02582	3.0
313.03091	4.1
314.03439	3.5
315.04514	1.6
315.25345	1.5
316.05228	0.8
317.05768	1.0
329.05753	1.1
329.22391	0.7
337.09427	1.4
341.26978	0.5
343.04575	3.2
343.28534	1.4
344.04968	3.8
345.05170	6.1
346.05307	0.6
358.06931	5.4
359.07343	7.3
359.28107	2.7
360.07559	10.9
361.08206	3.0
361.29593	16.7
362.29886	1.1
389.18234	1.7
457.32040	1.3
475.32840	1.6
505.33838	100.0
506.34116	14.5
523.34888	29.3
524.35345	4.0
565.15021	0.7
565.26483	3.6
565.35931	1.0
566.26721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07762	7.7
52.57175	7.5
53.10168	7.2
59.01239	34.6
71.87688	6.5
72.99174	8.2
78.95773	87.0
84.32314	7.9
88.82436	7.9
96.96880	15.7
97.02850	7.8
152.99503	100.0
160.33237	7.1
229.57007	8.5
241.01140	27.3
249.18564	44.8
302.30801	7.4
315.04904	21.2
332.06931	7.7
491.80322	8.8
534.90668	8.5
565.23779	64.9
566.24225	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	565.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	74.4
61.98698	36.6
70.15562	100.0
78.95791	98.7
83.72530	25.6
116.92765	22.1
137.09563	42.1
152.99492	68.0
171.10143	30.6
201.11314	36.1
226.79944	20.5
269.07034	43.7
289.18076	37.7
416.80762	29.2
565.28326	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24342	0.4
55.01760	1.3
57.03328	2.7
58.00466	0.9
59.01254	100.0
60.01598	1.2
61.98706	1.2
69.03332	2.1
69.62835	0.4
69.75211	2.8
70.87418	0.4
71.01257	22.0
72.01585	0.4
72.58421	0.5
72.99182	2.1
73.02821	5.3
75.00750	2.0
78.95784	0.5
79.94550	0.4
81.03314	0.9
83.01256	4.4
85.02824	10.1
85.99997	0.7
87.00748	5.1
87.04382	0.5
89.02322	3.2
91.03867	2.1
95.01288	2.0
97.02858	1.8
98.20512	0.6
99.00761	3.4
99.08060	0.6
101.02332	9.0
102.02738	0.5
108.02068	3.1
109.02851	2.5
111.00792	1.3
112.01591	1.5
113.02335	7.5
114.02671	0.6
116.92762	0.7
121.02898	0.5
124.01568	2.7
125.02366	4.2
135.04463	0.5
141.12801	0.9
142.02689	0.8
143.03436	1.7
152.01059	5.1
153.01881	1.6
157.12260	1.1
159.02934	1.1
160.01569	0.6
161.04507	2.0
171.13852	0.7
175.03989	0.9
180.22585	0.5
241.21724	0.4
257.21304	1.2
269.21191	4.1
271.22824	1.2
285.20923	0.7
287.22299	25.1
288.22528	2.5
297.00500	0.5
299.01028	0.5
299.22354	1.0
300.02771	0.7
301.23831	0.8
312.02731	1.3
313.03210	1.6
314.03513	0.8
315.04153	0.7
315.07477	0.9
329.23364	2.0
343.04370	1.0
343.28568	0.8
344.04953	1.4
345.05328	1.7
358.07056	1.6
359.07449	1.7
360.07678	3.8
361.08121	0.8
361.29419	2.3
413.25452	4.3
431.26495	54.1
432.26877	5.9
449.27585	26.6
449.34033	0.8
449.70621	0.5
450.27853	3.0
473.27594	10.3
473.34097	0.7
474.28015	1.0
491.28644	22.0
492.28757	2.7
505.33893	23.6
506.34454	3.3
523.34790	8.5
524.35309	1.0
565.18683	4.0
565.28052	1.9
566.19702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.6
57.03310	3.2
59.01258	27.3
62.87162	1.2
67.01798	1.1
67.92945	1.1
69.70838	8.6
71.01257	27.5
72.99187	6.6
73.02795	3.2
75.00752	23.3
83.01240	2.7
85.02835	23.7
87.00758	7.4
89.02311	10.9
95.01255	5.2
99.00758	8.6
101.02320	3.6
113.01630	1.8
113.02348	21.3
117.01840	2.3
126.95734	1.2
157.01363	1.2
159.24409	1.2
165.09077	1.3
175.02394	3.0
226.25909	1.2
249.06134	4.9
260.47662	1.5
262.30988	1.2
267.07220	4.6
272.46216	1.1
315.14374	1.9
322.01028	1.4
447.46182	1.3
523.20459	1.5
547.20996	2.8
565.21387	100.0
566.21710	16.9
577.95789	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	565.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63665	0.8
53.00766	0.8
54.01311	0.8
55.01762	1.4
57.03326	4.7
58.02856	8.1
59.01256	84.3
60.01568	1.1
69.03316	1.1
69.28953	0.8
71.01260	17.4
72.00783	2.7
73.02835	6.4
74.02367	2.0
78.93830	0.8
82.06490	0.8
83.01266	5.9
84.80301	0.8
85.02834	13.0
87.00791	2.0
87.04408	2.0
89.02316	1.1
93.03355	3.1
95.01273	3.0
98.19754	1.6
99.00769	2.5
100.83614	0.7
101.02321	11.0
102.61247	0.9
106.04100	1.0
107.04932	1.1
111.00781	2.2
111.08077	1.0
113.02348	9.5
115.08669	24.0
116.04958	4.8
116.07071	1.8
118.06537	7.6
119.04927	10.3
124.01517	1.1
125.02352	3.1
125.07136	2.3
129.01802	0.9
129.10287	1.8
133.05251	1.7
134.06012	5.2
136.07581	1.3
137.07184	1.1
138.05539	2.0
140.07095	1.2
141.01816	0.9
141.06613	17.3
143.03372	1.4
153.09145	1.1
155.08168	2.4
157.09750	3.9
161.04471	1.9
162.05569	2.0
163.03975	4.6
169.12283	1.0
171.13895	2.9
173.09338	1.3
175.03905	1.1
180.06598	17.6
187.05124	2.8
187.13383	2.1
197.09299	3.3
199.12383	5.0
200.14131	1.0
201.15083	1.6
217.13541	2.7
227.12025	1.1
228.10309	1.0
233.13069	1.4
235.14500	7.7
242.12961	1.6
243.11395	6.3
245.12946	1.0
248.13527	0.9
257.15039	0.9
259.14365	1.5
259.61227	0.9
261.12552	3.3
279.13501	17.3
280.14041	1.1
281.16565	9.3
282.16980	1.0
284.14157	1.1
312.02905	1.0
314.03577	1.3
315.25424	1.5
316.25458	0.9
340.20129	5.1
343.04779	1.5
343.28705	1.2
345.04861	1.4
358.07031	2.4
359.07162	2.2
359.28012	1.9
360.07785	4.1
361.29605	15.2
363.17200	1.7
380.20132	1.9
384.19006	1.1
389.17789	1.5
407.16248	4.1
424.19012	4.0
440.13275	1.1
475.32712	1.5
504.32794	1.7
505.33865	100.0
506.34009	9.4
523.34937	27.1
524.35138	2.8
547.25537	1.8
565.26819	63.0
565.34784	2.2
566.26984	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.0
57.03320	6.8
58.00462	1.8
59.01252	52.1
60.01581	1.0
67.01755	1.4
68.99686	2.3
69.03324	2.6
70.88527	1.9
71.01254	55.8
72.01610	0.9
72.99183	11.3
73.02819	8.1
75.00748	28.2
78.37082	0.6
83.01256	4.9
83.04890	0.8
84.02054	0.6
85.02823	40.7
85.59139	0.7
86.03152	0.7
87.00751	9.6
89.02317	25.1
93.03323	1.5
95.01273	5.7
97.02814	0.7
99.00755	17.0
101.02334	3.3
103.00266	2.5
104.95925	0.7
107.97517	0.6
109.02830	0.9
111.00751	1.6
111.04450	0.8
111.85714	0.6
113.02331	26.9
114.02681	0.7
115.00273	2.4
117.01804	2.7
121.10116	4.6
123.11247	0.7
129.01836	2.3
131.03401	1.9
142.54128	0.7
147.44705	0.7
149.04395	0.7
157.01312	0.9
165.09117	2.0
167.10712	5.1
175.02399	2.4
183.10277	0.9
205.07079	1.2
223.08142	0.7
231.05066	1.5
249.06128	19.8
267.07141	3.7
315.14493	3.2
417.17642	3.5
529.01550	0.8
547.20282	1.3
565.21381	100.0
566.21710	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	565.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08641	1.1
55.01764	1.3
57.03309	3.6
58.00449	1.8
59.01255	32.5
61.55221	0.9
69.03333	1.0
69.34885	9.5
71.01257	38.1
72.99188	7.7
73.02802	4.5
75.00748	18.2
83.01270	3.1
85.02828	30.7
87.00756	7.7
88.56908	0.9
89.02322	16.7
95.01280	4.8
95.19244	0.9
99.00764	11.4
101.02315	2.9
101.11343	1.0
103.00257	2.3
104.31808	1.1
110.66757	1.0
111.00769	1.3
113.01517	1.4
113.02329	29.5
115.00254	1.5
117.01804	2.4
121.10139	2.4
128.03430	2.2
129.01817	2.4
131.03391	2.8
131.90334	1.0
143.04564	2.3
149.04445	1.0
157.01407	1.2
167.10666	3.5
175.02332	1.4
191.05507	1.6
205.07062	1.1
249.06117	6.2
267.07196	6.5
306.07663	1.2
315.14383	3.7
417.18015	2.1
471.56113	1.1
547.20618	1.9
565.21356	100.0
566.21716	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	565.2137
Annotation	Chinikomycin B
Peak:m/z	Relative Intensity
53.96066	0.7
54.74944	0.7
55.01749	2.9
57.03318	6.6
57.92728	0.7
58.00456	1.2
59.01252	41.0
62.13356	0.6
67.01737	1.0
68.99687	2.2
69.03322	1.7
69.58977	5.0
71.01254	40.5
72.01582	0.9
72.99177	9.0
73.02826	4.3
73.44434	0.6
75.00744	18.8
83.01257	3.0
85.02822	26.2
87.00745	7.4
89.02316	11.5
95.01276	4.9
98.20520	1.3
99.00759	10.7
101.02327	1.7
103.00259	1.7
111.00755	0.9
113.02338	13.9
115.00278	1.2
117.01794	1.1
121.10120	2.5
129.01808	1.2
131.03314	1.0
167.10672	1.1
175.02408	1.5
183.10205	0.9
213.69257	0.7
217.80852	0.6
233.81979	0.7
249.06123	7.6
267.07224	3.4
290.99240	0.7
299.75739	0.6
315.14456	2.1
349.15076	0.8
417.17831	0.8
547.20203	2.0
565.21350	100.0
566.21686	14.6
566.30322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.8
57.03353	2.2
57.18462	0.5
59.01256	15.6
60.02365	0.5
67.01791	0.6
69.03356	1.0
70.47028	0.5
71.01262	19.7
72.99174	4.7
73.02856	2.4
75.00752	18.3
82.00462	1.1
83.01266	2.5
85.02830	15.2
87.00761	6.4
89.02322	4.2
92.02632	1.9
93.03385	0.8
95.01266	11.0
95.01799	0.7
97.02834	0.9
99.00762	9.5
99.01337	0.6
101.02328	3.8
103.00310	0.8
108.02058	18.9
109.02855	15.3
111.00771	1.7
111.04435	0.9
113.02343	16.5
114.02688	0.9
115.00268	3.1
115.03910	0.6
116.92724	1.1
117.01868	0.9
119.03412	1.3
121.02872	2.4
123.00795	0.8
125.02354	1.1
127.00318	0.6
129.01817	1.1
131.03456	0.6
136.00510	1.3
136.01569	21.1
137.02232	0.6
139.00339	0.6
143.03471	1.3
149.02374	1.6
152.01111	1.4
152.84146	0.5
153.01852	17.8
153.05540	1.6
157.01343	3.2
160.01593	1.2
161.04533	1.3
163.03967	0.6
164.04718	1.9
173.04492	1.1
175.00342	1.6
175.02420	3.2
175.03926	1.4
181.08649	5.4
183.08145	1.5
187.11282	0.7
190.02666	3.7
193.03448	1.0
197.04564	3.9
199.02310	0.6
205.05051	3.7
217.03540	2.0
223.06068	1.7
227.07112	100.0
228.07454	6.9
235.04416	0.6
265.07245	0.7
275.07855	0.5
277.05609	2.9
313.10898	1.1
319.06598	1.6
335.06091	2.2
337.07748	4.8
367.10391	4.3
411.16602	1.2
418.65540	0.5
505.33508	3.3
521.22260	1.1
564.24652	0.6
565.15405	25.3
566.15259	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	565.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45414	0.8
55.01749	1.6
57.03314	3.0
59.01254	38.0
60.01580	1.6
61.98692	1.5
69.03302	1.8
71.00890	1.3
71.01251	15.9
71.58057	1.2
72.99171	3.3
73.02808	3.8
75.00730	2.9
78.95802	1.0
79.62235	0.9
80.88924	0.9
81.03327	1.8
83.01238	3.6
83.04874	1.3
85.02827	14.1
85.37688	0.8
87.00750	4.7
89.02299	3.1
93.03320	2.1
95.01279	4.8
99.00758	3.0
101.02331	8.8
108.02055	63.3
109.02848	35.5
113.02328	9.9
116.92736	1.9
120.01145	1.0
121.02788	2.1
123.00750	1.9
123.04371	1.5
125.02298	1.5
132.02072	1.9
133.02829	1.2
134.03641	2.2
135.04358	1.6
137.02271	1.6
149.02266	1.0
151.00366	0.9
151.03932	2.5
152.01060	75.4
153.01848	24.0
160.01564	3.6
161.02022	2.2
161.04446	3.3
161.09663	1.8
163.03896	2.2
163.11194	2.2
165.01823	1.4
171.10152	3.5
172.10414	1.3
175.02573	1.2
175.03891	5.3
176.04256	2.2
179.03407	1.0
181.08607	1.1
187.11189	2.5
189.09084	2.6
191.05450	1.4
193.03465	1.7
193.05077	1.4
194.05286	1.7
205.12238	1.8
207.10127	2.5
211.13216	1.0
253.09198	2.1
315.07263	24.5
316.07416	1.1
327.21753	4.5
328.22000	7.0
329.22403	2.9
359.27905	1.0
361.29337	2.6
387.16629	2.6
388.17078	5.7
389.17258	7.6
442.15213	1.1
503.19022	4.6
505.17059	3.9
505.33783	14.9
521.20166	4.4
523.34705	4.1
547.17859	1.4
565.19244	100.0
566.19598	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	565.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.4
59.01253	7.9
63.02263	1.2
65.00197	2.5
69.47411	3.2
69.47839	3.6
71.01258	7.2
72.99191	1.6
73.02822	2.2
78.95772	2.1
83.01283	1.2
85.02827	6.7
87.00765	1.4
89.02336	2.5
95.01302	1.0
99.00769	1.8
101.02318	2.3
107.01288	6.1
108.02074	1.9
109.02858	4.3
113.02336	4.5
121.02839	3.1
123.00750	0.9
124.01646	0.9
125.02345	2.8
129.01678	0.8
135.00774	1.9
137.02330	2.4
139.03911	0.8
148.01572	2.1
151.00269	17.1
151.03908	2.0
152.00772	0.9
153.01840	1.8
161.02432	0.8
163.00296	2.9
169.01506	1.5
175.03967	1.0
177.01874	0.9
178.99789	9.9
182.55574	0.7
187.03909	1.2
199.03886	1.7
201.05588	1.1
203.03514	1.3
205.05017	0.9
211.03894	0.8
215.03505	1.2
226.02631	2.2
227.03416	4.2
243.02983	11.3
244.03563	1.2
245.04541	2.6
254.02315	2.5
255.02985	31.1
256.03455	3.1
271.02484	62.2
272.02948	6.8
273.04050	1.8
283.02542	2.3
299.02008	2.6
300.02750	100.0
301.03494	65.2
302.03839	5.0
316.02118	1.5
385.13068	2.2
467.12347	1.5
521.08942	1.0
553.76251	0.8
554.30603	0.9
565.12109	73.6
565.21576	8.5
566.12329	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	565.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	4.0
59.01255	100.0
60.01594	7.5
65.00197	8.9
70.14395	14.3
71.01260	51.2
72.01575	7.1
72.99205	6.3
73.02824	38.2
74.03163	5.3
75.00746	10.2
83.01254	11.8
85.02830	19.8
87.00751	6.7
89.02329	19.1
93.03324	26.2
95.01260	9.1
96.95869	3.2
99.00762	6.1
101.02329	41.3
102.02665	8.2
107.01284	6.8
108.02048	11.0
109.02847	6.9
111.00753	9.6
113.02339	24.2
114.02658	6.9
116.92740	45.0
117.03333	6.1
119.03409	5.9
119.04901	8.5
121.02847	19.6
123.00794	3.5
125.02338	5.9
131.03419	2.9
137.02309	6.9
139.00267	12.3
143.03487	3.5
145.02809	3.7
151.00284	26.9
151.03873	3.2
152.01019	4.9
153.01746	4.5
157.01231	2.8
159.04422	5.7
160.05151	5.0
161.04453	7.8
161.05670	3.2
165.01790	4.5
166.99719	3.8
169.01343	3.3
171.04408	5.9
173.06009	4.0
178.99799	15.8
181.98381	3.4
187.03896	4.0
189.05540	4.8
190.06285	5.4
197.06084	4.1
205.08643	5.3
209.00763	3.4
227.03499	7.8
227.07095	45.9
243.02945	4.3
255.02957	14.0
271.02460	22.3
271.05463	4.8
272.03168	4.1
273.03989	4.1
276.33261	2.9
276.36771	3.1
284.03275	4.5
285.03705	6.4
287.01981	9.9
299.01968	31.7
300.02383	7.8
312.12805	5.5
316.02264	25.8
317.03000	13.7
341.13904	12.7
342.14276	28.5
343.14670	6.6
403.14352	3.2
410.53903	3.1
504.19641	7.1
505.19864	5.7
521.09351	36.9
522.09900	3.8
565.15338	22.8
565.25006	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	565.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69055	0.4
57.03324	0.4
59.01249	2.1
62.73930	0.4
65.00217	0.5
65.33970	0.3
71.01260	1.2
71.57816	0.6
74.02343	1.7
75.00753	0.9
78.76722	0.4
83.01263	0.6
85.02835	0.9
87.00752	0.4
89.02290	0.5
95.01260	0.5
99.00794	0.7
99.92463	8.3
100.92485	0.5
104.03407	2.1
107.01276	1.1
109.02833	0.6
113.02322	1.2
116.92749	100.0
117.92763	5.0
121.02813	0.4
123.00846	0.5
132.02095	0.9
135.00807	0.6
151.00296	1.3
152.00917	0.5
163.00256	0.6
165.12717	0.9
176.91939	0.4
178.99837	1.0
183.13818	1.6
194.00937	0.9
199.03986	0.6
200.04486	0.4
211.03970	0.6
212.04362	0.7
227.03474	10.6
228.03799	8.4
229.04138	1.4
255.02972	20.2
256.03329	18.8
257.03571	6.0
258.04251	0.6
271.02399	0.8
284.03259	26.8
285.03635	31.7
286.03903	12.9
287.04657	1.1
300.02646	0.8
301.03558	0.7
447.09515	1.1
482.18396	0.5
547.01599	1.0
564.14508	19.1
564.23145	2.3
565.14673	17.5
565.23431	1.4
566.14581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.048
Annotation	Udpgal
Peak:m/z	Relative Intensity
53.39194	0.5
62.96291	0.5
69.23540	0.8
69.23941	5.4
78.95780	100.0
80.37354	0.6
96.96844	39.0
111.01888	8.2
120.96861	2.3
135.92503	0.5
138.97945	3.3
150.97975	2.5
158.92459	15.4
168.98897	0.6
175.60825	0.5
176.93524	0.8
187.53149	0.6
192.99022	1.7
202.88066	0.5
211.00140	4.2
221.45964	0.5
240.79195	0.6
241.01161	8.2
272.95773	5.1
280.02325	1.7
305.01889	0.8
309.92972	0.5
320.97760	2.7
323.02859	58.7
324.03198	3.0
327.32104	0.5
384.98438	5.7
402.99515	1.7
512.96002	0.6
558.01459	0.5
565.04669	14.7
566.05560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.1
57.03328	3.5
58.00480	1.8
59.01254	100.0
60.01593	1.3
61.84156	0.5
61.98708	1.8
62.58765	0.4
68.99692	0.6
69.03339	1.6
71.01258	27.5
71.04904	1.8
72.01582	0.5
72.99190	2.0
73.02819	9.3
75.00746	0.9
80.93158	0.4
81.03321	0.6
83.01258	7.8
83.04892	0.5
84.02030	0.5
85.02831	18.9
85.99969	0.8
87.00756	3.6
87.04398	1.2
89.02320	4.4
95.01268	2.7
97.02850	1.8
97.06466	0.6
98.20578	0.7
99.00764	4.5
101.02328	20.8
109.02839	0.5
111.00771	2.7
111.08066	0.8
112.01557	1.0
113.02335	14.1
115.03905	0.6
119.03431	1.3
119.04919	0.8
121.02865	0.7
121.10095	3.0
121.10865	0.5
124.01586	1.3
125.02313	3.0
125.09634	0.8
127.11196	1.0
128.03439	0.7
129.01840	1.0
132.02171	0.8
134.03612	1.3
137.09624	1.0
139.11201	0.6
141.01811	0.6
141.12767	1.3
143.03415	2.6
143.04482	0.9
147.11729	0.7
149.02365	0.4
151.11288	0.5
151.88155	0.4
155.10675	1.3
157.12257	4.1
158.12595	0.5
159.02908	2.6
160.01610	2.7
161.02333	0.5
161.04483	6.8
169.12297	0.6
171.10190	1.4
171.13849	1.5
175.03928	3.9
176.04462	0.5
179.05638	0.8
183.13884	2.2
185.11751	0.9
187.13315	6.6
190.02583	0.5
191.05495	0.8
193.05019	1.5
197.11763	0.5
199.13390	1.2
201.11243	1.0
201.14874	3.5
209.11786	1.4
211.13385	1.3
227.03571	0.6
235.06134	0.7
253.09245	1.3
255.02953	1.1
283.02576	0.6
284.03271	1.8
285.00040	0.5
297.00623	0.5
299.25967	0.9
301.16605	2.0
312.02646	0.5
319.17838	2.9
326.04358	0.6
327.18140	1.0
327.21762	4.8
328.21906	0.5
331.17743	2.6
332.58990	0.5
341.26849	2.3
343.04547	0.8
345.19272	2.8
349.18781	1.6
358.07010	1.5
359.27991	7.3
360.28400	0.8
363.20294	1.2
383.28003	0.6
443.30283	1.2
455.29984	1.0
467.30472	0.8
473.10699	1.4
473.31342	1.3
485.31192	2.4
503.32275	97.1
504.32590	14.7
519.27124	0.6
521.33331	28.7
522.33569	4.0
545.29669	0.6
563.15808	1.4
563.25165	2.5
563.32941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.7
89.07903	0.8
93.03389	1.0
95.16366	0.7
110.61498	0.8
119.04925	100.0
120.05272	4.4
145.02916	1.1
163.03929	76.9
164.04276	4.3
196.60158	0.6
211.13326	3.3
255.23303	1.7
295.22858	2.0
348.97821	0.7
403.12323	0.9
508.06314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
57.03320	4.6
59.01252	100.0
60.01584	1.2
61.98706	0.6
69.03337	1.4
69.28587	0.3
71.01254	20.6
72.01603	0.5
72.99196	0.9
73.02821	7.5
73.82976	0.3
75.00739	0.7
81.03362	0.4
83.01266	5.4
85.02827	12.7
85.99976	0.5
86.13140	0.4
86.42313	0.3
87.00762	2.0
89.02321	3.6
95.01253	2.1
95.93931	0.4
96.43252	0.4
96.95894	0.4
97.02823	2.0
99.00757	2.5
101.02322	15.0
102.02689	0.5
109.02849	0.4
111.00784	1.8
111.08070	1.3
112.01576	1.2
113.02327	9.3
116.92707	0.4
119.03397	0.8
124.01579	0.6
125.02348	1.9
125.09684	0.4
127.11217	2.0
129.01808	0.5
132.02032	0.9
134.03629	1.8
137.09607	3.2
141.01852	0.4
143.03429	2.5
143.04413	0.5
149.05972	0.4
153.12752	1.1
155.10666	4.3
157.12213	2.4
159.02904	1.3
160.01563	5.3
161.02315	1.3
161.04445	2.6
163.11261	0.6
171.10164	1.3
171.13893	0.5
175.03925	3.9
179.03404	0.4
183.13821	1.1
193.04991	1.4
201.14920	4.8
202.15413	0.4
202.31265	0.4
207.10295	0.8
209.11882	0.8
211.13280	0.7
217.14359	0.5
223.90283	0.4
223.96817	0.4
229.14449	0.9
230.15216	3.1
235.06012	0.6
237.04114	0.4
240.00676	0.4
241.01413	0.6
253.09294	2.2
255.02867	0.5
256.03717	0.6
269.00955	1.0
271.22629	0.4
283.02386	0.8
284.03226	0.8
285.00476	2.3
295.99628	0.5
297.00458	2.5
298.01184	1.1
299.02045	0.5
300.02634	1.0
311.02054	3.2
312.02759	5.4
313.03445	2.1
314.04309	0.9
315.05173	2.3
316.05499	0.5
327.05127	0.9
327.21820	5.2
328.21973	0.7
335.16837	0.8
341.27032	1.4
343.04599	9.6
344.05026	1.1
357.26443	1.1
358.06940	15.8
359.07550	4.9
359.28018	15.2
360.28351	1.4
383.27823	0.6
387.16605	10.8
388.16965	1.1
415.26312	0.5
433.28079	2.1
455.30066	1.7
467.30011	0.7
473.31287	1.3
485.31134	1.4
503.32272	84.1
504.32623	14.0
521.33301	34.4
522.33710	5.4
545.33307	1.6
563.13861	1.5
563.21661	2.9
563.34290	0.6
564.21857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
57.03333	3.1
58.00462	0.9
59.01255	33.5
60.01574	0.6
61.98701	1.2
64.47678	0.4
69.03332	2.4
69.37794	0.5
71.01260	14.7
71.04900	0.5
71.37112	0.4
72.01588	0.4
72.99185	2.0
73.02823	2.9
75.00754	3.5
81.03334	0.7
83.01263	1.7
83.04916	1.4
85.02831	16.5
86.03164	0.7
87.00756	2.3
89.02323	10.6
95.01263	1.8
96.95884	1.7
97.02850	1.5
97.06467	3.5
98.95501	0.5
99.00741	2.9
99.18478	0.4
99.92508	1.1
101.02328	10.8
108.02055	0.7
109.02848	0.7
113.02338	10.6
114.02646	0.5
115.00254	0.7
115.03911	1.1
115.91970	1.6
116.92728	3.2
117.03252	0.4
119.03390	3.5
119.04891	0.6
119.08567	0.8
123.00777	0.4
123.04404	0.6
123.08088	0.6
125.02333	1.5
125.09631	1.4
127.11180	1.8
129.01863	0.7
132.02084	2.9
133.02884	1.9
134.03645	6.2
135.04378	2.0
137.02361	0.7
137.09612	1.9
143.03423	1.2
149.02374	0.7
149.05994	1.2
151.00204	0.8
153.01825	0.7
155.10658	1.5
157.01248	0.6
160.00243	0.9
160.01581	17.3
161.02367	4.5
161.04471	3.9
163.11186	3.8
165.12688	1.1
171.10193	23.0
172.10550	0.7
175.02533	0.9
175.03931	17.3
176.04466	1.6
177.12781	1.0
179.05547	1.6
181.12259	0.6
183.13876	3.0
185.11772	1.1
191.05502	0.7
191.07100	1.1
193.05005	4.6
193.12233	0.9
197.11771	0.8
201.11237	1.3
207.03064	0.9
207.10191	1.9
209.11787	1.7
211.13348	15.5
212.13730	0.8
221.11832	2.3
227.03592	0.6
229.14441	9.7
230.14847	0.6
233.15396	0.7
235.06079	1.6
239.12837	1.7
247.20782	0.7
249.06160	2.6
253.09283	28.1
254.09818	1.1
255.03009	0.9
267.07239	2.6
284.03165	1.3
285.04129	0.9
291.19720	3.2
299.01996	0.5
309.20691	1.9
327.21774	100.0
328.22116	9.0
359.28018	1.2
365.10782	1.6
387.16623	26.8
388.16876	3.0
388.40234	0.5
489.18210	0.6
503.32211	5.2
504.33261	0.6
521.33209	2.1
533.22296	2.4
545.15332	0.7
545.22437	6.3
552.13367	0.5
563.22931	7.1
564.22589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96602	0.6
53.41917	0.7
55.01826	1.1
57.03402	3.1
58.00529	0.7
59.00998	4.7
59.01329	38.4
61.98775	0.9
69.03064	0.7
69.03410	2.3
71.01348	19.6
72.98843	0.8
72.99244	1.6
73.02909	4.9
73.27590	0.7
75.00831	1.9
83.01368	2.5
83.04987	1.3
85.02930	14.9
87.00848	3.0
89.02424	9.4
95.01329	1.6
96.95983	0.8
97.02900	1.3
97.06594	3.0
99.00863	2.0
101.02438	14.2
109.02942	1.1
111.00838	0.8
112.01688	1.0
113.02345	9.7
119.03523	3.0
119.04990	1.1
125.02469	2.0
125.09702	1.3
127.11263	1.2
128.03548	0.8
131.03491	1.0
131.75700	0.8
132.02089	8.3
134.03645	11.8
135.04404	0.7
137.02426	1.0
137.09735	2.2
143.03461	1.8
145.02907	0.8
149.06122	1.5
151.03952	1.0
155.10765	0.7
160.01584	41.4
161.02010	1.9
161.04459	7.0
165.12822	1.0
171.10194	23.2
172.10727	1.6
174.01682	0.8
175.03934	42.8
176.04411	2.7
177.01941	0.8
178.99873	1.3
179.05656	1.8
183.13904	3.9
185.11896	1.1
191.05647	0.8
193.04984	9.2
193.12415	0.7
194.05319	0.8
209.11916	2.6
211.13353	14.7
212.13869	0.9
221.11856	3.1
227.03537	1.0
229.14355	10.5
235.06186	1.5
239.12914	1.6
253.09285	36.4
254.09799	1.1
255.03085	1.7
271.02597	0.9
284.03354	1.9
285.04089	1.2
291.19705	3.0
300.02768	0.8
306.07751	0.8
308.75919	0.8
309.20834	1.6
327.21771	100.0
328.22046	9.5
341.26920	1.0
343.04230	0.9
359.27847	2.4
383.24188	1.3
433.27838	1.3
503.32263	12.3
504.32355	2.1
521.33319	6.2
531.14435	1.2
563.24615	37.6
564.25201	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
55.33800	0.8
57.03327	6.3
59.01253	57.0
60.01568	1.1
69.03318	0.8
71.01257	16.5
71.04874	0.8
72.99165	1.0
73.02824	4.3
75.00742	1.0
83.01258	3.4
85.02827	9.5
87.00771	1.5
89.02333	4.3
95.01265	1.4
96.95884	1.2
97.02837	1.3
97.06469	1.1
99.00758	3.1
101.02332	13.1
111.00780	1.9
113.02347	7.1
116.45358	0.8
117.03322	2.8
119.03365	1.5
123.08121	1.2
125.02327	1.9
132.02072	17.7
133.02800	1.6
134.02649	1.6
134.03641	27.8
135.04044	1.0
137.02365	1.1
137.09639	4.4
143.03374	2.3
143.04482	1.0
149.06030	4.6
151.11296	1.1
153.12834	0.8
160.01578	85.5
161.01942	4.9
161.04466	3.3
163.03900	1.0
163.11198	1.5
169.12216	1.0
171.10159	2.7
171.13745	1.5
175.03932	100.0
176.04283	6.0
178.02589	1.1
179.03400	1.0
187.13327	1.4
191.07143	1.1
193.04999	39.8
194.05342	2.3
195.13817	2.3
197.15337	1.6
201.14944	0.8
205.04987	1.0
207.13808	2.4
209.11847	1.9
211.13300	3.2
225.14941	9.3
229.14563	0.9
235.06055	1.8
253.09386	4.6
254.26930	0.8
284.03110	1.0
306.07571	0.9
326.04538	1.0
327.21793	13.1
328.21982	1.5
333.19229	1.1
337.09323	24.9
338.09683	1.0
341.26810	1.0
359.28073	4.9
473.30994	1.0
485.31137	1.5
503.32263	45.1
504.32416	5.9
521.33319	16.9
522.33441	2.0
563.24884	73.4
564.25140	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	563.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.5
59.99616	0.6
61.98700	1.0
63.96110	1.3
69.03278	0.6
69.78078	3.5
71.01250	7.4
73.02821	2.1
78.95783	1.6
78.98474	5.7
79.95612	11.1
80.93864	0.6
80.96394	79.3
81.03317	0.7
85.02824	2.4
87.00741	3.1
94.97968	16.7
96.95877	1.8
97.02815	1.8
98.20558	0.7
99.00738	0.8
101.02327	2.3
106.97995	3.2
113.02333	0.9
122.97469	6.3
125.02341	3.1
127.03955	0.9
134.97467	4.5
136.99045	1.3
148.99063	5.2
152.98526	7.5
152.99529	0.8
164.98535	11.1
167.00084	0.7
182.99570	2.6
206.99689	3.2
225.00716	14.9
243.01744	1.7
263.20248	1.7
299.04492	2.1
342.28790	0.6
366.27158	0.9
378.00528	0.6
395.28040	0.8
492.31647	0.7
499.02438	0.8
563.25299	100.0
564.25586	14.6
564.34088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.5
57.03330	4.2
58.00465	0.8
59.01256	21.0
65.30592	0.6
67.01800	0.6
68.99702	0.8
69.03326	1.9
71.01258	29.3
71.57896	1.0
71.58278	0.9
72.99189	5.8
73.02832	3.8
75.00752	23.3
79.95628	0.8
80.96429	0.7
82.95965	1.4
83.01260	3.8
85.02830	27.2
86.02341	0.8
87.00761	15.8
89.02322	6.6
93.03352	0.7
95.01289	3.3
96.95905	0.8
97.02837	1.6
99.00767	7.9
101.02332	7.8
109.02866	1.3
109.61408	0.6
111.00771	2.2
113.02339	25.6
114.02625	1.0
115.00262	17.1
117.01839	1.4
119.03378	1.5
119.40084	0.7
121.02858	1.2
125.02326	0.7
131.03419	0.7
135.04416	1.2
137.02374	1.8
139.00235	1.4
139.47643	0.8
157.01344	2.8
161.04359	0.8
163.11298	0.8
165.05513	0.6
173.04489	1.8
175.02412	34.6
176.02696	1.0
179.05432	0.7
196.06061	1.9
205.04993	0.8
225.14938	1.6
387.11685	1.8
387.20325	1.2
446.20654	0.8
472.16040	0.8
473.15594	2.7
545.21783	1.0
546.57104	0.7
563.23480	100.0
564.23828	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	563.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23045	0.5
55.01747	1.5
57.03326	4.8
58.00461	1.4
59.01255	19.4
59.91649	0.4
68.99670	0.5
69.03314	1.3
71.01257	29.2
71.57260	0.6
71.57645	0.8
72.99185	6.4
73.02820	4.1
75.00749	23.2
80.96378	0.5
83.01261	3.1
85.02828	29.9
86.03148	0.6
87.00754	10.7
87.83902	0.5
89.02319	9.2
93.03328	0.7
95.01249	4.1
96.95909	0.8
97.02831	1.2
99.00765	8.3
101.01692	0.7
101.02329	9.2
103.00256	1.0
106.07258	0.5
109.02819	0.9
109.23312	0.5
111.00790	1.6
112.01509	0.6
113.02336	29.9
114.02608	0.5
115.00255	4.5
117.01805	1.4
119.03394	2.9
125.02306	1.2
128.03467	0.5
129.01840	1.3
131.03395	1.3
137.02321	0.9
137.09563	0.6
139.00252	1.0
143.03351	0.6
151.03954	0.6
152.00806	0.4
157.01306	1.9
159.02945	0.6
161.04457	0.6
172.52831	0.5
173.04469	1.7
175.02423	5.0
179.05647	0.5
181.12219	0.6
190.99844	1.1
191.05605	0.6
193.01440	0.5
195.13814	1.1
197.15375	0.6
206.02289	0.6
207.13841	1.1
217.38179	0.5
221.04555	1.3
225.14989	3.0
233.06432	0.5
269.04474	1.4
302.04977	0.5
352.69940	0.4
387.20425	2.3
390.71548	0.5
473.15308	1.2
545.22455	1.1
563.23438	100.0
564.23804	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	563.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03327	1.7
57.75364	0.6
58.00483	1.5
59.01255	100.0
60.01579	1.1
62.11932	0.7
65.00166	0.8
69.03337	2.0
71.01257	57.5
72.01588	0.9
72.99204	2.1
73.02824	57.5
75.00761	2.4
81.03288	0.7
83.01259	18.6
85.02828	13.8
87.00771	3.2
89.02320	21.6
90.21185	0.7
93.03311	1.0
95.00750	1.1
95.01241	4.2
96.95871	1.0
97.02879	1.4
99.00777	2.2
101.02332	57.2
102.02714	1.2
102.72095	0.7
104.59441	0.7
108.02069	3.1
109.02840	4.0
113.02338	29.9
117.03377	0.7
119.03409	9.7
119.04168	1.3
119.04997	1.0
121.02863	3.5
122.03666	2.4
123.04408	4.1
125.02361	3.0
131.03456	5.6
134.03625	0.9
136.05257	0.8
137.02348	1.6
143.03404	4.7
145.02837	0.9
147.04459	1.7
149.02510	0.8
149.04494	4.5
149.05820	0.7
150.03168	0.7
151.03987	0.9
152.01073	1.5
155.03427	1.3
159.04456	4.5
160.05234	10.9
161.02432	1.0
161.04504	11.5
161.06004	3.7
162.04846	0.8
163.03992	0.9
164.04865	0.8
171.04416	0.8
172.05251	4.9
173.06041	4.7
175.03900	1.0
175.07629	4.7
178.99821	1.2
179.05582	2.9
187.07616	2.7
189.05527	10.4
189.09126	0.8
190.06279	11.8
195.39424	0.8
205.08675	10.6
206.08870	0.7
213.05479	0.8
221.06596	1.4
227.03503	4.0
255.02934	7.0
264.07922	0.8
267.07358	0.9
271.02441	1.1
281.08328	2.6
284.03253	11.6
285.03973	5.4
287.01947	3.4
295.09784	1.5
296.10574	6.6
297.11090	1.1
299.01926	1.0
300.02734	1.2
301.03464	1.3
310.08701	0.8
310.11850	0.8
311.09470	1.4
311.12830	9.0
312.13361	0.8
315.01575	2.1
326.11646	1.6
329.14041	2.9
341.13953	54.1
342.14291	4.8
401.15765	1.3
503.19299	13.7
521.20374	3.2
563.14313	6.9
563.23572	4.1
564.14606	1.5
564.23175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.3
57.03316	4.9
58.00473	1.8
59.01256	27.2
69.03331	1.3
71.01254	38.0
71.16152	1.3
71.57256	1.8
71.57925	1.2
72.77602	1.2
72.99181	5.5
73.02820	5.8
75.00751	26.7
82.95957	1.6
83.01252	5.4
85.02341	2.3
85.02828	30.4
86.02296	1.4
87.00754	22.9
89.02333	8.2
93.03354	1.1
95.01260	4.7
96.95885	1.6
97.82352	1.2
99.00761	9.1
101.02318	7.1
109.02862	2.2
111.00784	2.0
113.02335	26.3
114.02666	1.2
115.00262	17.6
117.01799	3.4
119.03400	1.2
125.02332	2.1
129.01807	2.2
131.03404	1.8
135.04399	1.7
137.02461	1.5
150.86261	1.1
157.01285	3.1
173.04428	2.4
175.02415	29.5
176.02673	1.5
192.86006	1.1
193.96936	1.0
196.06110	2.0
225.14977	1.9
267.07269	1.9
473.15076	3.8
545.22986	1.5
563.23444	100.0
564.23737	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	563.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19858	2.3
56.07346	2.8
58.00472	3.5
59.01253	41.1
59.05792	2.8
60.99170	14.8
69.13732	2.4
70.58469	7.4
70.58796	3.0
71.01254	12.0
72.99184	89.4
75.00757	22.5
77.05402	2.3
87.00773	8.7
89.02312	40.3
90.97254	2.5
99.00777	3.9
102.04440	2.5
105.01810	7.4
115.00262	32.8
117.01836	21.6
120.36557	2.3
133.01331	100.0
135.02896	4.3
143.56613	2.6
145.01335	60.1
145.02422	4.2
157.95728	2.8
159.40674	2.4
161.00854	4.2
161.84740	3.3
198.39684	2.5
221.02965	28.4
244.77055	2.4
270.73499	2.2
291.01260	2.9
461.84869	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03385	1.3
59.01338	47.6
61.18393	0.5
65.13904	0.6
66.85194	0.7
69.03385	1.0
70.54349	1.9
71.00924	2.0
71.01360	13.7
72.99268	1.1
73.02924	2.5
75.00816	1.2
83.01345	1.4
85.02944	7.2
87.00867	1.9
89.01833	1.1
89.02444	11.6
95.01381	1.8
96.66542	0.6
96.96021	1.7
97.02934	1.1
97.06563	1.3
99.00861	0.7
99.92596	0.6
101.02463	10.2
113.02336	6.0
115.92037	0.9
116.92798	0.9
117.03432	1.4
119.03542	3.6
121.03020	0.7
125.02451	1.2
132.02075	7.3
133.02878	5.6
134.03645	14.8
135.04530	2.0
137.09763	0.8
143.03481	1.1
148.05373	1.0
149.02458	0.8
149.06131	2.0
150.03111	0.6
151.00359	0.6
151.04016	1.3
155.10828	0.7
157.83311	0.6
160.01579	36.9
161.02377	13.0
161.04604	2.4
163.11205	5.3
171.10185	11.5
175.03935	38.4
176.04660	2.4
177.02017	0.7
178.02722	0.8
178.99968	0.7
179.03453	0.9
179.05634	0.8
183.55933	0.6
187.87604	0.6
191.07132	2.7
193.05025	9.4
194.05507	0.8
207.10178	7.2
209.11967	1.0
210.10036	0.7
211.13307	3.9
229.14494	3.2
235.06146	3.4
253.09274	15.5
255.02899	0.8
265.07257	1.3
284.03506	0.7
291.19781	1.0
295.08286	1.3
312.28253	0.6
327.21768	44.0
328.22125	3.0
355.10464	0.6
369.15588	1.7
383.11511	0.6
387.16620	100.0
388.17007	9.3
489.17410	2.1
503.19342	1.2
503.32120	5.5
521.33716	1.2
531.18579	2.6
563.21191	34.8
564.21741	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	563.1408
Annotation	5,7,3'-Trihydroxy-6.8,4'-trimethoxyflavone 5-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.72440	0.3
56.60272	0.2
57.03298	0.6
59.01252	6.5
59.83950	0.2
65.00181	0.4
68.99670	0.3
69.22980	3.2
71.01254	2.6
73.02798	0.7
77.12957	0.4
83.01239	0.6
85.02827	1.5
87.00742	0.5
89.02271	1.0
97.02821	0.4
97.06467	0.4
98.19759	0.5
99.00754	0.5
101.02341	1.8
113.02328	1.5
116.92666	0.4
119.03374	0.4
125.02324	0.7
132.02058	0.5
134.03560	0.7
135.00719	0.8
160.01578	2.1
161.02069	0.3
161.04453	0.9
163.00227	0.9
165.01834	2.4
171.10124	1.2
175.03925	1.6
177.01871	0.5
178.99751	0.5
179.03323	0.6
191.03389	0.7
193.01344	1.0
193.04892	0.9
195.06487	0.3
200.01067	0.5
202.02634	0.3
203.03302	0.4
209.04512	0.5
209.11646	0.3
211.13303	1.2
213.01869	2.8
214.02473	0.4
215.03351	0.8
217.01381	0.5
219.06718	0.3
225.01784	0.4
226.02586	0.4
227.03465	0.4
228.04213	1.8
229.01292	0.8
229.14377	0.7
230.02130	0.7
235.06035	0.7
237.04019	1.4
240.00633	1.2
241.01398	2.4
242.02147	0.8
243.03055	0.7
245.00905	0.9
245.04527	1.9
253.01263	0.4
253.09254	2.4
255.02937	1.0
256.03760	3.6
257.00891	1.6
257.04248	0.4
260.03384	0.3
261.04010	0.4
263.05630	0.7
267.02917	0.3
268.00064	1.8
269.00897	6.7
270.01517	2.0
271.02280	0.6
271.05984	0.4
272.03232	2.8
273.03787	0.5
275.05621	0.6
282.02075	0.4
283.02502	6.2
284.03195	3.5
285.00452	12.8
285.03799	1.2
286.00836	1.4
295.99649	1.4
297.00400	15.8
298.01147	8.0
299.01721	0.8
299.05154	0.3
300.02704	6.1
301.03510	1.7
309.04227	0.3
311.01968	17.1
312.02744	33.8
313.03461	16.6
313.07278	0.4
314.03934	1.1
315.05121	11.3
316.05396	1.2
325.03690	0.5
327.05072	7.7
327.21765	4.9
328.02182	1.9
328.05676	0.6
329.02951	1.4
341.06738	0.7
343.04575	54.1
344.05002	6.8
357.06015	0.8
358.06937	100.0
359.07581	32.8
359.27991	0.5
360.08075	2.0
369.06097	1.4
371.07828	0.8
381.06250	0.8
401.08762	2.4
413.08533	0.8
503.32343	2.9
521.33130	1.4
531.11774	0.7
548.11743	0.6
563.14209	6.5
563.24615	1.7
564.14630	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.6
61.42889	0.4
61.98707	1.0
63.76387	0.4
68.84998	0.5
71.01264	0.9
72.19712	0.5
75.00782	0.5
78.88712	0.5
78.95782	10.5
103.50968	0.5
108.19926	0.5
121.99988	0.4
126.88759	0.6
137.05962	0.6
140.01054	4.1
151.36952	0.5
152.99500	1.6
165.09094	0.8
171.00691	0.6
171.10240	0.6
179.10678	0.7
196.03741	1.5
199.13318	0.7
214.04807	4.2
259.20663	1.1
303.26868	2.8
329.24661	1.1
347.25906	100.0
348.26236	10.5
348.30408	0.7
365.26950	26.9
366.27298	2.8
434.59604	0.5
445.98401	0.5
459.26993	0.4
508.02936	0.5
513.14508	0.5
562.31482	17.4
563.31830	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	563.1403
Annotation	Artabotryside B
Peak:m/z	Relative Intensity
63.95279	0.6
69.40837	4.7
107.01268	0.7
114.93314	0.7
119.11670	0.6
132.02008	1.5
151.00264	1.7
163.00220	0.7
178.99763	2.4
200.04651	0.7
211.03867	1.4
227.03450	27.0
228.03860	2.2
229.05069	1.0
253.28413	0.7
255.02980	57.3
256.03525	6.9
257.04465	1.1
283.02368	1.6
284.03262	100.0
285.03860	15.8
286.04257	0.9
362.07224	0.7
399.07172	1.8
536.75201	0.9
563.14044	82.8
564.14404	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	562.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87315	0.8
61.98710	1.5
62.96320	0.8
69.87582	4.5
71.04929	0.9
78.95786	77.8
80.96401	1.0
85.06506	1.4
96.96863	3.8
119.81400	0.6
122.00038	1.8
140.01094	8.5
152.99506	9.9
165.12753	1.3
171.00558	7.5
181.12209	0.9
196.03734	12.5
199.13342	21.0
200.13765	1.4
214.04782	3.8
218.82115	0.6
279.19647	10.3
295.09344	0.8
303.26810	1.1
347.25934	5.7
365.26990	100.0
366.27380	11.3
562.31512	70.4
563.25494	1.4
563.32294	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	562.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65088	0.6
59.01258	1.1
61.98713	1.1
70.92804	1.7
71.01245	0.7
78.95780	25.2
85.06482	2.0
87.34293	0.7
96.96842	1.4
125.02368	0.9
140.01112	3.0
152.99512	2.7
171.00566	2.8
196.03763	1.9
199.13316	4.0
214.04810	4.1
222.21448	0.6
273.64758	0.6
279.19669	17.4
280.20151	1.3
284.03241	0.8
315.15942	0.7
347.25864	6.0
348.26187	0.8
363.25363	0.8
365.26971	100.0
366.27313	10.1
549.17267	0.7
562.31512	25.9
563.31812	3.6
577.54779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.1
57.03323	6.0
58.00477	1.7
59.01256	100.0
60.01575	1.0
65.67496	0.5
69.03339	2.5
69.25174	0.9
69.25578	6.2
71.01260	29.1
71.04897	1.1
72.01620	0.6
72.81950	0.6
72.99197	1.9
73.02820	8.6
74.02345	0.6
75.00780	1.6
81.03355	1.0
83.01271	6.0
83.04888	1.5
85.02834	14.1
87.00790	2.4
87.04414	1.2
89.02309	7.9
93.06965	0.8
93.25144	0.7
95.01284	2.9
95.04967	0.9
97.02853	2.0
97.06501	2.0
98.20525	1.0
99.00754	4.6
99.04414	0.9
99.08069	0.7
101.02328	20.5
109.02821	0.9
109.06491	4.9
111.00797	2.7
112.01542	0.8
113.02345	11.5
115.03950	0.9
115.07569	1.2
119.03433	2.5
119.04921	0.6
123.04406	1.2
123.08110	0.9
125.02383	2.9
125.09650	1.4
127.07519	0.6
127.11197	1.2
129.01884	1.0
132.02112	2.6
133.02849	0.7
134.03642	6.4
135.04402	0.8
137.09676	1.6
139.11186	1.5
141.01952	0.7
141.12726	0.8
143.03453	2.5
149.02425	1.0
149.06042	1.1
151.00284	1.5
151.11287	1.5
153.09137	5.3
155.10715	1.6
157.12282	2.3
159.02957	0.6
160.01561	12.5
160.02812	0.8
161.02200	0.9
161.04443	5.1
161.09583	0.8
163.00291	0.5
163.11229	2.0
165.12885	1.1
169.12289	2.8
171.10211	10.6
171.13852	0.7
175.00406	1.7
175.02464	1.5
175.03925	13.2
176.04459	1.5
178.99841	1.0
179.05602	0.8
179.10751	1.9
181.12361	1.7
183.13797	0.9
185.11862	2.3
187.13358	1.8
187.63797	0.6
190.02672	1.6
191.07114	1.8
191.10815	0.8
193.04990	7.6
197.11792	7.7
199.13419	1.8
201.14900	0.8
205.05095	2.7
205.12355	1.6
209.11800	12.9
211.13344	3.7
215.13020	0.7
223.06140	1.0
227.12946	1.1
228.13673	0.8
235.06061	4.8
235.07996	0.6
235.13525	0.7
242.02220	1.8
243.03203	0.8
245.19273	0.8
253.09268	12.7
254.09767	1.2
265.07211	3.1
270.01880	2.3
271.02594	1.6
289.18085	3.3
295.08121	3.4
297.24414	0.7
299.02094	1.1
300.02814	1.8
301.03445	1.2
303.23520	0.9
307.19186	19.0
307.22546	1.2
308.19684	2.3
321.24500	1.3
325.20230	22.1
326.20694	2.1
330.17017	1.5
337.09293	6.8
338.09677	1.0
339.25610	2.6
348.18149	2.6
349.18893	0.7
357.26547	7.0
362.19611	1.0
365.82288	0.7
381.22809	1.3
385.09543	0.9
391.08759	0.6
414.09717	1.5
429.25220	2.3
453.28897	1.8
465.29102	2.1
483.29431	4.8
484.30377	0.7
501.30740	66.6
502.31125	11.8
517.21191	2.7
519.31799	22.5
520.32343	2.6
543.29254	1.4
561.16412	5.5
561.33734	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68526	1.3
55.01776	1.5
56.99656	1.5
57.03331	4.3
59.01255	29.0
61.98699	2.8
62.16451	1.5
62.80633	1.4
66.93497	1.4
68.99688	1.5
69.03309	2.4
70.44340	3.3
70.44669	3.0
71.01259	23.7
72.99184	6.4
73.02808	2.4
75.00745	21.6
78.95792	2.2
83.01253	5.2
85.02824	25.4
87.00755	8.5
89.02309	11.0
95.01271	8.3
97.02835	2.0
97.06460	2.1
99.00768	15.5
101.02327	4.3
103.00251	3.2
103.96120	1.6
113.01619	2.9
113.02337	37.3
115.00229	2.0
129.01894	2.4
129.09050	1.6
131.03339	2.7
135.71065	1.4
149.05830	1.7
157.01274	1.8
159.24988	1.6
171.10219	9.0
171.11458	1.4
175.02460	2.6
183.13805	1.9
185.11812	2.1
197.11819	4.0
199.13216	1.9
209.11703	3.1
211.13297	9.0
245.19112	1.7
249.06165	12.7
253.09128	3.1
262.54803	1.6
267.07108	8.9
289.18039	3.5
293.21204	7.6
307.19272	1.9
311.22272	29.0
312.22751	2.8
483.39468	1.9
488.94180	1.9
517.30090	2.2
543.28284	3.5
561.29144	100.0
562.29633	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	561.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.7
59.01249	23.2
61.98704	1.9
71.01255	22.9
71.50115	2.9
71.50462	1.4
72.99166	5.0
73.02813	2.3
75.00751	19.2
78.95773	3.7
83.01248	3.3
85.02837	28.8
87.00737	9.5
88.98669	3.2
89.02332	7.1
95.01282	8.8
96.79079	1.3
99.00755	17.6
101.02328	2.1
103.00241	2.5
107.63127	1.4
107.76568	1.6
108.73398	1.9
111.00723	2.6
113.02336	37.9
113.09592	1.4
115.00240	1.8
117.01810	2.5
120.01144	1.5
129.09067	1.6
133.02869	2.8
139.11217	1.8
152.99521	1.6
157.01346	2.7
158.41399	1.7
161.02292	4.1
163.11090	1.7
171.10159	4.7
175.02370	3.7
181.12299	2.6
183.13771	1.6
197.11725	2.7
199.13231	2.4
206.04767	2.0
211.13362	8.6
213.35181	1.5
224.05583	1.8
249.06177	12.6
267.07220	11.8
293.01105	1.8
293.21310	6.8
311.22296	30.2
349.13953	3.8
352.60638	1.6
517.30560	3.2
543.28027	2.6
555.08850	1.6
561.29095	100.0
562.29834	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	561.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.4
57.03318	6.6
58.00478	1.7
59.01255	43.1
62.36703	1.7
63.36866	1.3
63.77979	1.4
68.87086	1.2
69.03322	2.2
71.01260	21.8
71.04888	2.8
71.44351	3.5
72.99197	1.8
73.02828	4.8
81.03345	1.9
83.01263	2.5
83.04900	6.1
84.02061	2.0
85.02827	10.0
87.00748	4.3
89.02324	13.8
95.04914	3.8
97.02850	3.0
97.06438	3.5
99.00747	2.4
99.04408	3.2
99.08072	1.9
101.02320	19.1
109.06472	6.0
111.74074	1.4
112.05153	2.3
113.02354	8.3
114.85789	1.5
115.07568	2.8
119.03401	3.7
121.02823	1.5
123.04382	3.8
125.02364	2.7
125.09617	7.0
127.07530	4.3
132.02077	21.7
133.02859	2.6
134.03642	27.3
135.04399	1.4
135.08060	4.3
137.02332	2.0
138.06680	1.8
143.03430	3.1
147.08102	2.2
149.05991	4.3
151.00237	2.1
151.11139	2.9
153.09128	30.6
153.12746	1.7
155.10660	2.9
160.01578	84.4
161.02026	3.5
161.04491	7.3
163.11198	6.2
165.12790	4.0
167.00616	1.6
171.10190	43.7
175.03937	93.2
176.04311	5.7
178.09914	3.7
179.10681	13.7
181.12239	2.5
185.11740	6.6
187.11241	3.8
189.09125	2.0
190.02617	2.4
191.10747	3.0
193.04991	34.7
194.05293	3.1
197.11755	14.3
203.10713	1.6
205.04967	4.3
205.12303	13.2
209.11774	71.2
210.12054	4.2
211.13344	4.0
217.04973	1.8
223.13293	2.9
235.06033	5.3
235.08217	1.6
235.13310	2.5
242.02142	1.6
245.19138	2.2
253.09239	41.2
254.09695	2.2
255.02950	2.1
265.07108	3.2
265.18216	1.6
270.01691	2.7
289.18082	14.8
295.08139	3.0
297.20648	2.0
298.00815	1.7
307.19162	100.0
308.19574	10.2
325.20203	71.1
325.24121	3.0
326.20599	6.0
337.09274	42.1
338.09579	4.7
348.98065	1.4
367.10547	2.3
416.15771	1.5
447.09952	1.7
472.58331	1.5
474.21008	3.0
501.30576	11.6
517.20801	20.8
518.20801	5.6
519.31622	5.4
543.21979	8.9
543.29138	17.8
544.28888	4.4
561.15753	5.2
561.23419	11.8
561.31213	9.1
562.23370	3.5
569.30896	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11725	0.8
51.33685	0.9
53.09561	0.8
55.01748	2.0
55.44408	0.8
57.03313	3.8
58.00483	1.1
59.01252	46.2
61.98701	1.1
69.03329	1.8
71.01254	28.4
71.04874	2.7
72.99165	1.6
73.02824	7.4
75.00761	2.7
77.69487	0.8
79.96584	0.9
80.02534	1.7
81.03326	1.6
83.01269	5.3
83.04895	5.3
84.02052	1.5
85.02824	9.7
87.00752	3.8
89.02318	17.0
93.03326	1.2
95.01267	1.6
95.04877	1.8
97.02844	2.8
97.06467	3.7
99.00755	2.4
99.04403	2.5
99.08019	1.4
101.02325	19.5
105.12259	1.0
106.04138	1.2
107.01292	2.3
109.02814	1.5
109.06477	3.4
111.00774	1.3
112.05162	2.1
113.02330	12.1
115.07536	2.0
119.03409	6.4
119.04884	1.7
120.77865	0.8
121.02859	1.7
123.04434	1.3
123.08078	2.0
124.01481	1.1
125.02328	4.2
125.05901	0.9
125.09610	8.3
127.07516	4.3
128.03409	1.0
132.02084	3.4
134.03629	3.9
135.04378	1.7
135.08073	4.3
135.66290	1.1
137.02324	1.5
137.09593	1.7
143.03445	1.4
145.02797	0.9
151.00278	6.1
151.11256	1.3
152.00754	1.5
153.09123	32.2
154.09398	1.2
155.10643	2.3
160.01558	9.5
161.02414	1.5
161.04503	7.6
163.00240	1.3
163.03882	1.2
163.11226	6.3
165.12775	3.4
169.12224	1.6
171.10182	44.2
172.10553	1.7
175.03929	10.6
178.09935	3.8
178.99805	3.2
179.05566	1.4
179.10704	2.0
185.11742	5.1
191.10721	2.6
191.14340	1.2
193.04999	4.5
197.11794	12.7
199.03905	3.6
199.13351	1.3
201.11229	1.2
205.12248	2.3
207.10321	1.3
209.11771	61.4
210.12154	4.2
211.13287	5.0
214.02638	2.5
215.03285	1.1
219.13780	1.0
227.03426	3.8
227.12883	2.5
229.74855	1.0
237.14900	2.7
238.11992	2.2
241.01395	2.7
242.02122	5.2
243.02945	7.3
245.00934	1.8
245.19086	2.5
249.14960	1.1
253.09273	46.7
254.09590	1.4
255.02895	7.1
256.03363	1.6
257.04611	1.6
263.20093	1.5
270.01700	6.6
271.02448	18.7
272.02838	2.5
279.19669	2.4
281.21271	1.1
285.03983	1.8
289.18063	15.0
297.20505	2.2
298.01285	2.0
299.01956	43.2
300.02667	18.1
301.03448	4.1
307.19153	100.0
308.19543	11.0
325.20193	67.5
325.24197	2.1
326.20471	7.7
337.09262	4.2
343.04526	9.1
357.26321	1.6
379.89221	1.0
381.26407	1.9
390.77216	1.1
397.09262	1.9
399.10818	1.4
407.19223	1.5
414.09451	4.0
415.10385	2.5
445.07584	2.2
446.08569	23.7
447.08844	4.6
474.20804	2.2
483.29446	1.1
489.10327	7.8
501.30698	7.8
517.20770	2.1
519.31744	4.2
543.15259	1.3
543.28143	22.5
544.28497	3.9
561.16089	20.1
561.22675	2.0
561.30005	13.2
562.16302	3.7
562.30029	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	561.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.3
57.03327	8.7
58.00467	0.9
59.01254	62.0
61.98693	1.5
65.00216	1.0
69.03326	2.4
69.49448	1.3
69.49849	6.8
71.01258	28.2
71.04904	0.8
72.99179	2.6
73.02827	5.7
73.90571	0.8
75.00741	1.8
78.95764	1.4
81.03343	1.5
83.01263	5.2
83.04896	2.4
85.02830	10.8
85.06441	0.8
87.00745	3.8
87.04408	1.5
89.02319	12.3
95.01266	1.8
95.04914	1.8
97.02831	2.7
97.06459	2.1
99.00758	3.7
101.02333	15.4
107.01264	1.9
107.04933	1.0
109.02860	2.1
109.06487	5.6
111.00733	1.8
113.02339	11.9
113.05993	1.2
115.00228	1.0
117.03320	2.3
119.03385	3.4
121.02801	1.4
123.04424	2.8
123.08022	2.7
125.02306	3.5
125.09571	1.7
128.03424	1.4
129.09085	1.0
132.02078	20.0
133.02797	1.4
134.03636	32.2
135.04329	1.2
135.08072	1.2
137.02325	2.2
137.09641	1.1
143.03413	1.3
143.04515	1.4
147.04475	1.3
147.08066	2.8
149.05978	6.4
149.09622	1.6
151.00284	3.7
151.11235	2.2
153.09077	2.7
159.04410	1.2
160.01578	100.0
161.02023	3.7
161.04442	5.6
161.09584	1.6
163.03851	2.0
163.11179	2.6
165.01938	1.2
169.01337	1.0
171.10181	11.8
174.01628	1.8
174.03165	1.0
175.03931	96.9
176.04362	4.3
177.12819	1.5
178.02631	1.8
178.99799	2.0
179.03340	1.8
179.10709	11.9
185.11673	1.0
187.11201	2.5
191.07062	1.8
193.04999	37.5
193.06772	1.8
194.05386	1.5
197.11777	4.1
198.03322	0.9
199.03903	2.3
201.11281	1.1
205.12300	14.9
209.11777	9.8
211.13318	3.8
213.18611	1.6
214.02742	2.3
223.13319	2.8
227.03485	2.0
227.12831	1.8
229.04945	1.0
235.06085	5.2
241.01309	3.4
242.02151	8.4
243.03006	5.6
245.00859	3.1
249.14958	1.5
253.09244	11.7
255.02879	4.4
256.03647	1.4
257.04520	9.5
263.21835	1.3
265.07071	1.3
269.04654	1.0
270.01712	9.9
271.02444	11.5
272.02777	1.4
289.18109	3.3
295.08212	1.8
298.01163	2.9
299.01990	22.3
300.02695	10.9
301.03418	4.2
306.07690	1.0
307.19199	7.7
325.16592	1.8
325.20209	23.6
326.20615	2.1
328.80447	0.9
337.09320	41.8
338.09637	2.7
339.25464	1.6
341.09933	1.2
343.04428	2.8
357.26501	3.6
381.26440	10.3
385.09109	1.0
389.21982	1.3
396.08438	1.7
397.09229	1.6
399.10843	7.9
413.25461	1.4
414.09637	4.3
415.10052	2.2
445.07602	1.0
446.08438	11.5
447.08826	1.5
483.29285	1.4
485.12149	0.9
489.10507	4.2
492.13559	1.1
501.30728	22.7
502.31018	2.0
517.20789	22.3
518.21313	3.4
519.31787	8.9
543.14862	2.0
543.22223	12.4
555.19312	1.1
561.15747	21.7
561.23431	33.1
561.30908	2.4
562.16040	2.7
562.23853	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	561.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71872	0.7
57.03324	3.8
59.01253	13.5
71.01260	26.3
71.57664	1.4
71.64347	0.8
72.99187	5.5
73.02828	3.9
74.45045	0.8
75.00748	24.6
78.95782	7.2
80.96397	6.8
83.01266	3.2
83.47178	0.9
85.02831	26.4
87.00761	7.2
89.02331	6.9
95.01294	3.9
96.95921	1.6
96.96831	1.9
99.00758	8.2
101.02322	5.2
107.49276	0.9
111.00789	1.2
113.02337	23.7
115.00304	2.1
117.01828	2.2
119.03432	0.9
129.01823	1.1
129.88152	1.0
131.03419	2.1
136.05196	1.7
138.06731	1.1
151.07578	1.6
152.08369	2.1
152.99522	7.7
153.09155	3.6
157.01357	1.2
161.04482	1.2
161.09692	1.0
163.11203	2.1
164.98663	1.0
173.04459	3.2
175.02493	2.9
187.14571	1.1
191.05528	1.2
193.03529	1.0
201.11285	12.8
205.12373	2.9
209.11787	9.7
225.00676	1.6
241.01237	3.7
316.66599	0.9
488.87036	1.1
543.17615	5.0
561.21838	100.0
562.22119	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	561.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54332	1.3
55.01756	1.9
57.03311	1.6
57.46757	1.5
58.00464	2.4
59.01254	100.0
63.56010	1.7
69.03329	3.3
70.14683	1.7
71.01258	46.7
71.58191	2.5
72.99174	3.5
73.02821	53.4
75.00733	4.1
79.95617	1.7
80.96392	10.9
83.01260	16.8
85.02835	12.9
87.00743	4.3
89.02312	12.5
93.03338	4.7
94.97962	1.8
95.01258	2.8
96.95886	6.2
99.00716	3.7
101.02326	48.3
108.02062	5.0
109.02836	2.1
113.02346	18.6
119.03373	5.8
121.02848	9.0
122.03619	3.5
123.04400	4.8
125.02339	3.6
128.03426	2.5
131.03406	5.2
134.03604	3.8
136.01564	82.2
137.01949	2.1
143.03421	3.4
149.04462	9.1
149.05820	1.9
151.00247	5.1
151.03923	97.1
152.04222	5.2
155.03404	2.8
159.04468	1.6
161.02417	2.0
161.04463	14.1
163.03793	2.7
164.98511	2.5
175.03879	2.2
178.99724	2.4
187.03883	1.7
188.04716	1.5
190.02751	2.4
191.05505	3.8
193.04872	2.9
203.05382	2.7
203.07031	5.8
210.08850	1.9
211.13332	3.1
221.06633	2.1
225.00668	2.7
232.09760	1.5
249.06165	3.0
251.07066	1.5
255.02940	1.7
261.05389	1.7
262.43130	1.3
263.07202	2.1
267.07065	4.2
271.02521	6.3
279.06573	4.7
281.08102	1.5
294.08951	2.5
299.02005	4.3
300.02731	6.1
301.03537	6.9
304.70444	1.5
306.07718	2.2
309.11276	9.0
311.13223	1.5
321.11295	1.7
339.12430	7.8
339.21683	3.1
340.12674	2.1
342.10965	5.1
357.13443	77.4
358.13843	11.1
381.13315	2.2
425.01532	1.6
427.22107	2.2
431.06345	2.2
433.07803	3.8
471.21130	7.3
543.20642	4.9
561.15161	3.2
561.22400	14.1
562.24799	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	561.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03329	2.0
58.00477	1.4
59.01252	41.6
60.01558	0.6
61.98698	0.7
65.68850	0.5
69.03330	1.0
71.01252	21.2
71.04878	0.7
72.99187	2.1
73.02820	3.9
75.00746	1.2
82.46971	0.6
83.01249	3.7
83.04908	0.8
84.79485	0.5
85.02822	7.1
87.00754	4.0
87.04395	0.7
88.98693	1.9
89.02316	10.8
95.01244	1.3
96.95892	0.8
97.02842	1.0
99.00756	2.3
101.02322	12.2
102.90414	0.6
109.01561	0.6
109.02860	1.3
111.00776	1.2
113.02348	7.9
113.95516	0.6
117.03365	0.8
119.01293	2.1
119.03399	3.9
119.04919	1.0
121.02833	1.7
123.04440	0.6
125.02315	2.2
125.09637	0.6
125.43015	0.6
129.50819	0.6
132.02066	26.9
133.02954	1.3
134.03635	18.6
135.04390	1.9
137.02415	1.5
137.09563	0.8
143.03366	1.4
147.00812	0.9
147.04413	1.9
149.02341	6.3
149.06004	2.8
150.03098	0.9
151.00299	1.9
151.03867	0.6
152.00983	0.7
153.09100	1.4
159.02859	0.6
160.01569	93.2
161.01935	5.2
161.04445	3.1
163.03960	2.8
164.04723	7.2
165.01874	0.7
165.71425	0.5
171.10199	1.5
174.03069	1.0
174.42044	0.6
175.00385	9.8
175.03922	100.0
176.04301	5.9
177.01790	0.7
178.02631	1.9
178.99796	1.4
179.05559	1.3
179.07036	1.7
190.02644	21.7
191.03326	3.8
191.07043	3.2
193.04994	27.1
194.05331	1.6
194.88248	0.8
202.02556	1.4
205.05006	27.3
205.12457	0.8
206.05682	4.3
207.02937	1.0
208.03651	1.1
209.11810	2.0
214.02628	1.4
217.04974	7.4
221.08180	3.1
223.06068	14.2
224.06354	0.9
235.06146	4.0
241.01385	1.6
242.02112	3.2
243.02829	1.0
245.00876	1.7
247.06131	2.0
250.04720	0.8
250.11029	0.6
251.20009	1.1
253.09259	1.1
255.02911	2.0
265.07224	6.4
270.01706	4.6
271.02435	4.2
277.06976	0.6
277.38110	0.6
289.07224	1.0
295.08112	4.2
298.01154	1.9
299.01889	2.8
300.02771	4.3
301.03323	2.8
325.09311	6.4
325.20023	1.8
333.19226	0.9
337.09332	4.5
339.16913	0.6
339.25278	0.7
353.08713	1.6
357.26611	1.5
367.10297	22.4
368.10556	2.1
381.26385	5.1
385.10519	1.0
395.24353	1.4
397.09015	0.7
413.25330	2.4
414.09372	1.7
447.08939	1.1
463.08801	3.0
471.21368	1.5
501.30765	10.0
519.32086	5.4
561.15698	13.8
561.23370	11.1
561.31055	2.2
562.16254	2.1
562.23694	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00984	1.0
59.01251	11.6
60.37685	0.8
61.98680	0.9
65.00189	1.7
68.99705	0.9
69.56712	6.0
71.00909	0.9
71.01261	10.8
72.00777	1.0
72.99173	1.4
73.02805	2.9
75.00747	1.9
75.95886	0.9
79.30721	0.8
80.96399	5.7
83.01237	1.6
85.02826	5.8
87.00729	2.2
89.02322	5.4
93.03313	3.0
94.97964	1.7
95.01240	1.4
96.95876	2.7
97.02826	1.1
99.00750	1.9
101.02297	5.2
106.04086	1.4
107.01194	1.0
109.02811	1.5
113.02323	5.5
115.00185	1.2
119.01244	3.0
119.03381	1.7
119.04900	1.9
121.02841	5.5
125.02257	2.2
128.03407	0.9
133.02870	9.5
134.03635	92.7
135.03970	1.8
137.02359	15.8
138.02594	0.9
139.03888	5.2
143.04501	1.2
147.00746	2.5
148.01540	4.5
149.02345	8.7
149.05984	25.9
150.03133	12.1
150.06372	1.7
151.00204	3.5
151.03650	1.5
152.01007	2.3
153.01883	2.1
160.01585	1.6
163.03897	2.7
164.04691	6.9
164.98586	0.9
165.01801	1.6
165.05443	4.0
175.00305	13.6
175.01888	1.2
175.02473	1.5
175.03873	2.6
176.01080	34.0
177.01837	3.9
177.05540	1.5
178.02635	53.7
178.99725	5.5
179.02936	3.7
179.07018	1.5
189.01920	1.2
190.02640	39.5
191.03413	46.4
192.04207	35.5
193.01273	3.0
193.04993	100.0
194.02220	4.1
194.05344	4.8
195.02707	1.3
200.34476	1.0
205.05008	43.9
206.05345	2.8
207.02838	0.8
207.04680	1.5
207.06567	21.8
208.03720	1.2
208.06787	1.1
209.04506	10.3
209.11501	1.0
211.13313	2.1
223.06065	7.7
225.00665	1.8
233.04469	1.1
249.06003	1.4
251.05681	5.0
271.02463	1.9
300.02585	2.9
301.03326	1.6
307.19250	0.9
310.06955	1.3
313.03564	1.4
338.06339	1.6
352.08167	1.1
353.08795	81.8
354.09238	8.5
367.10336	43.0
368.10727	3.9
386.56638	0.8
397.09076	2.2
463.09015	1.0
471.21301	1.0
543.14526	2.3
543.21234	3.5
561.15771	36.8
561.23553	7.0
562.16113	6.7
562.22388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.2
59.01253	1.3
61.98700	0.2
65.00188	0.1
71.01249	1.2
72.99184	0.3
73.01185	0.1
73.02827	0.3
75.00761	0.7
78.95755	0.2
79.95611	2.8
80.96388	0.4
81.03332	0.1
82.95977	0.2
83.01218	0.1
85.02818	0.9
87.00764	0.2
87.80972	0.1
89.02322	0.4
91.45943	0.1
93.03314	0.2
95.01217	0.1
96.95891	100.0
97.95829	0.3
99.00781	0.6
101.02342	0.3
109.02840	0.4
111.00823	0.1
111.59275	0.1
113.02351	0.7
115.00234	0.1
117.32485	0.1
128.03464	0.2
133.50128	0.1
139.00261	0.2
151.00264	0.3
157.01283	0.2
161.02449	0.2
166.99866	0.1
175.02451	0.2
178.99852	0.2
199.23344	0.1
249.06354	0.2
251.60664	0.1
253.46315	0.1
255.03075	0.3
271.02493	0.7
288.06415	0.2
289.07166	0.2
299.01932	0.5
300.02661	0.8
301.03448	0.7
329.16165	0.3
422.52127	0.1
431.06152	0.2
433.07581	0.3
463.08871	0.5
473.26456	0.1
560.21075	0.5
561.21423	1.8
584.28253	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	559.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64698	0.5
55.01762	4.0
57.03334	6.8
58.00457	0.8
59.01255	18.4
59.22139	0.5
67.01775	0.5
68.99690	0.7
69.03327	1.4
69.24837	5.8
71.01258	33.3
72.99191	6.3
73.02818	4.3
73.84619	0.5
75.00752	36.8
76.01087	0.4
83.01269	6.3
84.02023	0.7
85.02831	48.4
86.03162	1.1
87.00758	12.0
89.02327	4.1
95.01263	5.9
97.02854	1.6
99.00764	14.7
101.02331	6.4
103.00217	1.1
111.00777	6.6
112.01572	0.6
113.02340	37.1
114.02670	1.3
115.00266	3.7
116.01095	0.6
117.01833	1.9
125.02337	0.7
129.01834	2.2
137.02441	0.5
157.01329	1.9
159.02892	1.5
161.04521	2.3
175.02432	6.5
253.08940	0.5
275.04382	0.6
290.81085	0.7
323.22180	1.1
335.06204	2.9
383.24387	0.6
499.25510	0.5
517.60864	0.5
541.25714	0.7
559.27606	100.0
560.27966	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	559.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.4
58.00466	0.9
59.01256	13.8
70.15530	3.3
71.01260	3.5
75.00748	2.9
78.95780	2.4
85.02789	0.8
85.77446	0.7
89.02323	5.5
91.03883	15.2
97.06483	1.0
99.00744	4.7
111.00771	8.4
113.09557	1.4
117.01834	2.5
123.49174	0.7
152.99475	0.9
169.12135	0.8
171.10219	0.7
179.14412	0.8
195.13863	13.5
196.14171	1.1
209.11752	0.9
211.13385	1.3
217.66504	0.7
220.19392	0.8
253.09430	1.2
265.89148	0.7
277.21774	12.2
278.21902	1.3
291.20139	0.9
295.22787	100.0
296.23102	12.1
323.22382	3.9
346.14105	0.7
349.60968	0.7
518.62097	0.8
559.28125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.2
59.72903	0.4
63.96122	0.6
69.03326	0.8
71.01255	8.6
72.99191	0.5
73.02821	1.6
74.84225	0.4
75.00748	1.8
78.95741	0.5
78.98468	6.6
79.95609	8.8
80.96393	59.4
81.03326	1.0
83.01279	0.5
83.04894	0.5
85.02821	4.1
87.00760	2.7
87.26736	0.4
89.02325	0.7
93.03295	0.5
94.97968	13.0
95.01270	0.6
96.95876	2.0
97.02842	1.9
99.00765	2.1
101.02341	3.4
106.97971	3.2
109.02837	0.4
111.00735	0.7
113.02333	1.8
121.02818	0.4
122.97469	3.3
125.02349	3.2
131.06151	0.4
131.11983	0.4
134.97495	5.4
136.99036	1.1
139.70650	0.4
148.99057	6.3
149.99336	0.4
151.00261	0.9
152.98532	5.9
159.81396	0.4
164.98546	11.5
175.02516	1.0
175.03918	0.6
178.99858	0.7
191.54143	0.4
206.99612	2.4
209.11794	2.7
219.06842	0.5
222.64343	0.5
225.00694	17.6
226.01003	0.5
271.02432	1.0
287.01965	0.7
299.04651	2.8
301.03278	0.5
315.01614	1.7
317.02997	0.5
338.03107	1.0
355.03220	1.1
355.07236	0.6
356.03851	0.6
515.16772	0.5
527.18134	3.4
559.20679	100.0
560.11035	2.3
560.21039	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	557.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	2.8
58.00473	2.1
59.01254	100.0
59.46426	1.1
60.77928	1.2
61.98709	6.9
69.03328	2.8
69.65819	8.9
71.01259	31.1
72.01605	1.5
72.47421	1.1
72.99182	3.2
73.02818	5.3
75.00757	3.6
78.95767	1.5
83.01266	3.2
85.02836	11.0
87.00755	3.0
89.01759	2.0
89.02322	38.8
93.03378	2.1
93.05212	1.1
95.01279	3.1
96.70840	1.4
96.95906	1.2
99.00774	3.6
99.04388	1.6
101.02329	19.0
108.02029	1.4
109.02879	2.3
111.00854	1.6
113.02354	14.4
117.54250	1.2
119.03404	14.3
119.04919	2.4
121.02835	2.3
125.02330	2.8
131.03416	3.0
137.02361	1.6
139.03934	2.3
139.11191	1.5
143.03386	2.6
149.04457	2.3
150.85825	1.4
151.00259	1.6
152.99432	2.0
160.01631	1.8
161.04474	4.5
163.03886	1.4
175.04057	1.6
178.99770	2.3
179.05542	8.8
191.05472	1.6
193.05054	1.3
219.08168	2.4
271.02426	2.8
280.67471	1.3
300.02774	5.2
301.03461	1.9
335.22403	1.3
351.73578	1.4
411.06784	1.7
447.09274	4.7
497.27460	19.2
498.28024	1.8
557.12518	2.9
557.30054	16.3
558.29669	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	559.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88949	0.5
57.03330	0.7
57.61345	0.5
59.01240	1.6
63.25671	0.5
63.96102	1.9
66.68192	0.5
69.03344	0.7
70.86552	1.2
70.86913	0.9
71.01254	8.7
71.68703	0.5
72.53609	0.5
73.02820	2.0
78.98467	6.1
79.95605	12.0
80.96391	80.6
81.03326	1.0
83.01259	0.8
83.04886	0.5
85.02816	3.7
87.00771	3.6
91.60278	0.5
94.97965	18.1
95.01263	0.7
96.95880	2.0
97.02831	1.9
99.00722	0.6
101.02311	3.6
106.97986	4.5
113.02321	0.7
122.97474	7.0
125.02333	3.4
125.15650	0.5
127.03886	1.0
134.97455	5.8
136.80203	0.5
136.99037	2.1
148.99043	6.2
152.98517	7.8
163.11218	0.6
164.98535	13.5
165.43103	0.5
168.53783	0.5
182.99719	2.5
185.46301	0.5
206.99634	4.4
209.11758	4.6
225.00699	21.9
243.01804	1.9
283.65448	0.5
299.04443	2.8
312.71924	0.6
527.18097	2.2
528.17664	0.7
559.20642	100.0
560.20984	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	557.2967
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
57.03344	2.1
59.01254	100.0
60.01578	1.8
61.98711	6.1
63.98852	1.0
66.41649	1.1
71.01259	27.8
71.57085	1.3
71.57484	1.6
72.99182	2.5
73.02817	4.1
73.08242	1.0
75.00733	1.7
83.01260	3.3
85.02818	7.4
87.00759	2.9
89.02320	28.7
93.03304	1.8
95.01257	2.0
99.00760	1.9
99.04366	1.6
101.02331	16.3
108.02020	1.3
113.02351	17.4
119.03380	12.3
119.04948	1.6
123.04419	1.1
125.02402	1.8
130.08606	1.3
131.03409	1.2
132.02168	1.2
139.03900	2.9
143.03403	3.5
149.04440	1.6
151.00302	2.9
161.04437	1.8
178.99806	1.8
179.05566	8.5
185.00841	1.6
190.99632	1.3
209.11836	2.1
219.08150	5.8
220.08549	1.5
222.13722	1.3
300.02707	2.5
301.03497	1.7
335.22327	2.9
337.09976	1.2
367.08286	1.7
411.07275	1.6
497.27652	16.8
498.27951	1.9
557.12750	1.4
557.30225	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	557.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.4
57.03334	4.2
59.01252	52.1
60.40529	1.0
61.74573	0.9
61.98684	3.5
69.03343	2.0
69.72224	3.4
69.72641	2.9
71.01257	27.5
71.04874	2.2
72.99181	8.0
73.02811	3.4
74.67940	0.8
75.00748	21.4
78.95779	1.3
83.01222	1.7
83.04887	1.7
85.02828	30.1
85.03349	1.5
87.00745	9.1
89.02331	8.5
91.03922	1.0
93.03320	1.3
95.01292	6.6
95.04881	1.2
98.19879	1.5
99.00757	12.8
101.02322	4.6
103.00227	2.9
109.02785	1.0
109.06483	7.7
111.00735	1.6
111.04375	3.5
111.08037	1.0
113.02330	37.3
115.00258	3.1
117.01806	3.3
119.03397	0.9
121.02857	1.2
125.02345	1.0
127.07546	2.0
129.01813	2.2
137.02330	1.6
139.50322	0.9
145.06462	1.1
152.99513	0.9
157.01189	1.0
161.04491	1.1
163.11223	1.2
167.10735	1.0
171.10207	1.6
175.02391	6.4
195.13725	1.3
205.07068	2.1
211.13362	1.1
216.37181	1.0
231.04933	1.7
245.19073	3.0
249.06113	7.5
251.16806	0.9
263.42288	0.9
267.07239	8.8
289.18094	34.6
290.18460	3.5
307.19064	3.5
327.22122	0.9
329.23233	1.2
410.06561	1.0
411.06912	2.9
513.27118	1.1
539.25098	4.8
557.25970	100.0
558.26123	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	557.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91745	0.7
55.01748	2.0
57.03330	4.9
58.00444	0.9
59.01257	23.8
67.01772	1.3
67.24615	0.8
68.99702	1.4
69.03334	1.3
69.60270	4.8
71.01260	29.7
72.99186	6.2
73.02819	1.2
75.00753	26.4
78.95772	1.8
81.03339	1.2
83.01270	4.5
83.04913	2.3
85.02831	28.6
87.00761	8.4
89.02325	9.3
91.03880	2.3
95.01257	6.9
95.04955	1.2
97.02797	1.5
97.06445	2.2
98.20613	1.4
99.00766	15.2
101.02338	1.6
103.00246	3.3
106.04128	1.0
109.06481	1.3
111.00751	2.7
111.08086	1.3
113.02339	39.3
114.02672	0.8
115.00240	2.2
117.01826	2.6
121.02862	0.9
123.04313	1.7
123.08091	1.1
125.08804	0.8
125.09598	4.4
129.01839	2.9
131.03378	1.5
135.08089	0.9
137.09622	1.8
139.00294	1.0
152.99521	1.4
157.01312	3.6
161.09572	0.9
163.11221	4.0
165.12672	1.2
167.10710	0.9
171.10172	1.1
175.02429	4.6
179.10722	2.2
182.92175	0.9
185.11766	2.4
191.10751	1.2
191.14355	2.3
195.13760	0.8
197.11792	4.8
205.07103	2.7
206.39233	0.9
207.10243	2.7
209.11798	15.2
210.12004	0.9
211.13347	4.3
225.11302	1.9
231.04938	0.9
245.19090	5.0
249.06133	7.5
267.07196	10.6
273.21878	0.7
289.18164	11.9
290.18436	1.0
293.21280	10.0
294.21542	0.9
307.19156	8.0
331.50528	0.8
459.25974	0.8
497.41983	0.8
525.27032	6.3
539.25116	2.6
557.26025	100.0
558.26306	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	557.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
57.03322	5.8
59.01256	24.1
61.98708	1.1
67.01734	1.1
69.03319	1.4
70.84634	0.8
71.01257	26.6
71.55630	0.8
71.57886	1.2
72.99183	7.7
73.02828	2.0
75.00751	27.7
76.24514	0.8
78.95782	13.0
81.03344	1.2
83.01248	3.4
83.04891	1.8
85.02831	30.4
87.00764	9.2
88.53679	0.9
89.02316	7.2
91.03889	1.0
95.01267	5.7
97.02813	2.2
97.06444	2.0
99.00760	15.2
101.02334	3.7
103.00251	2.0
107.03577	1.0
109.02755	1.0
111.00778	2.2
113.02338	36.3
115.00249	2.8
117.01814	3.7
119.03353	1.1
121.06508	1.0
123.04414	1.3
125.09606	4.3
129.01848	2.7
137.09627	1.2
139.11163	1.3
152.99506	5.7
157.01320	3.8
163.11182	2.9
169.12236	1.9
171.10214	5.0
175.02446	4.3
175.03758	0.9
185.11815	2.0
191.10591	1.1
191.14371	1.8
197.11725	1.8
205.07104	1.4
205.30267	0.9
207.10173	1.5
209.11783	11.2
211.13303	3.2
225.11247	1.0
227.12852	1.7
233.15448	1.5
245.19060	4.2
249.06212	7.2
267.07318	7.7
289.18155	10.2
290.18262	1.1
295.08212	0.9
307.19202	5.7
309.20804	1.2
329.23444	2.2
421.26270	1.8
441.17529	1.1
516.93274	1.0
539.24738	3.2
557.25995	100.0
558.26062	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	555.2845
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
56.46161	0.4
57.90915	0.4
59.01240	1.2
63.96115	1.4
68.41944	0.4
69.03334	0.5
71.01260	7.9
71.34677	1.0
72.02317	0.5
73.02825	1.4
77.53723	0.4
78.98471	7.1
79.95609	12.8
80.78378	0.4
80.96394	77.5
81.03346	0.6
83.01286	0.4
85.02831	3.4
87.00749	2.7
92.78236	0.5
94.97964	18.4
96.95892	1.4
97.02802	1.5
99.00751	0.9
101.02335	3.4
106.97961	4.1
114.74385	0.4
122.97434	3.1
125.02329	3.3
127.03917	0.9
134.97481	4.8
136.99052	1.5
148.99062	5.9
152.98560	5.3
153.22424	0.4
164.98552	13.0
165.98875	0.6
179.00003	0.6
197.40105	0.4
206.99670	2.2
225.00713	14.9
226.00992	0.5
255.23270	2.0
269.28400	0.5
299.04440	4.0
514.91315	0.5
555.28442	100.0
556.28784	11.9
581.88275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02765	0.4
59.01242	0.9
63.96110	1.3
70.09358	1.3
70.09773	0.9
71.01258	6.1
73.02833	1.5
78.98464	5.1
79.77982	0.4
79.95612	8.7
80.65111	0.5
80.96397	58.4
81.03304	0.6
85.02836	2.9
87.00757	2.1
94.97964	13.4
96.95882	0.7
97.02850	1.0
99.00764	0.6
101.02341	2.4
106.97984	2.6
122.97493	3.5
125.02344	3.1
134.97456	3.6
136.99060	1.3
148.99062	4.3
152.98552	5.3
164.98555	9.6
182.99612	1.1
188.98468	0.6
206.99635	2.8
225.00708	14.5
226.00951	0.7
243.01836	1.0
255.23196	2.1
270.72305	0.4
299.04373	3.2
329.54031	0.4
421.97464	0.4
555.28455	100.0
556.28778	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	557.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
57.03322	5.8
59.01256	24.1
61.98708	1.1
67.01734	1.1
69.03319	1.4
70.84634	0.8
71.01257	26.6
71.55630	0.8
71.57886	1.2
72.99183	7.7
73.02828	2.0
75.00751	27.7
76.24514	0.8
78.95782	13.0
81.03344	1.2
83.01248	3.4
83.04891	1.8
85.02831	30.4
87.00764	9.2
88.53679	0.9
89.02316	7.2
91.03889	1.0
95.01267	5.7
97.02813	2.2
97.06444	2.0
99.00760	15.2
101.02334	3.7
103.00251	2.0
107.03577	1.0
109.02755	1.0
111.00778	2.2
113.02338	36.3
115.00249	2.8
117.01814	3.7
119.03353	1.1
121.06508	1.0
123.04414	1.3
125.09606	4.3
129.01848	2.7
137.09627	1.2
139.11163	1.3
152.99506	5.7
157.01320	3.8
163.11182	2.9
169.12236	1.9
171.10214	5.0
175.02446	4.3
175.03758	0.9
185.11815	2.0
191.10591	1.1
191.14371	1.8
197.11725	1.8
205.07104	1.4
205.30267	0.9
207.10173	1.5
209.11783	11.2
211.13303	3.2
225.11247	1.0
227.12852	1.7
233.15448	1.5
245.19060	4.2
249.06212	7.2
267.07318	7.7
289.18155	10.2
290.18262	1.1
295.08212	0.9
307.19202	5.7
309.20804	1.2
329.23444	2.2
421.26270	1.8
441.17529	1.1
516.93274	1.0
539.24738	3.2
557.25995	100.0
558.26062	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	555.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
57.03317	1.2
59.01252	100.0
61.98700	2.3
67.01740	0.9
68.32248	0.7
68.46889	0.9
69.23569	0.8
69.46218	7.4
71.01254	24.5
72.99191	1.9
73.02823	7.3
75.00742	4.1
78.95772	3.8
83.01246	2.4
85.02827	9.9
85.61963	0.8
87.00765	1.6
88.69322	0.9
89.02328	6.3
95.01285	1.6
97.02841	1.0
97.06476	1.2
99.00745	3.4
101.02326	14.4
107.04933	1.3
109.02818	1.3
113.02319	11.4
119.03388	1.4
119.04879	1.5
122.14072	0.9
125.02368	1.1
134.03607	1.0
135.04442	5.5
139.03697	1.0
143.03386	2.0
149.02393	0.9
151.16725	0.8
152.99475	2.1
159.02867	3.2
161.04465	19.7
161.05800	1.2
165.01877	1.3
165.05519	2.2
190.02580	2.7
205.05019	2.3
211.13371	1.0
269.19138	0.9
303.19485	1.7
315.19711	2.6
333.20743	13.0
334.21179	1.2
413.62390	1.0
477.24973	1.4
495.26031	14.9
496.26147	3.4
507.20087	2.1
519.31641	1.0
555.14673	1.3
555.24738	3.2
575.59869	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.1
58.00475	1.3
59.01254	100.0
59.63644	0.8
60.01604	1.2
61.98700	2.2
62.20671	0.8
71.01257	20.4
71.58120	1.2
72.99182	1.7
73.02826	7.3
78.95779	2.4
79.09203	0.7
83.01263	3.3
85.02814	4.7
87.00748	1.5
89.02322	18.4
95.01266	1.4
97.02848	0.7
99.00761	1.8
101.02337	14.2
109.02753	0.8
113.02337	14.9
119.03382	8.1
123.04543	0.7
125.02364	0.8
131.03416	1.2
134.89738	0.9
135.08055	2.5
143.03398	2.6
149.04442	2.4
150.03104	1.2
151.07549	6.2
152.08345	7.1
152.99489	1.9
161.04457	6.3
165.05482	0.8
175.11179	0.8
179.05545	8.3
189.12747	1.2
215.80441	0.8
248.76576	0.8
315.19641	3.3
327.21768	1.1
333.20749	2.1
375.21756	0.9
435.23938	10.7
436.24139	2.2
453.24945	3.2
478.62039	0.8
495.25995	7.1
496.26202	1.8
533.97327	0.8
555.24768	2.8
561.87524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97311	0.5
57.03329	0.6
57.26470	0.4
58.00480	1.7
58.95097	0.5
59.01255	100.0
60.01593	0.7
61.98708	1.7
68.20090	0.5
70.34611	0.5
71.01259	28.3
71.04910	0.8
71.09808	1.0
72.99199	2.1
73.02835	0.8
78.95798	1.2
83.01257	0.6
85.02834	5.0
87.00760	1.8
89.02323	49.1
95.01295	2.1
99.79388	0.5
100.42639	0.4
101.02332	15.6
102.02673	0.5
113.02340	12.0
114.45986	0.5
119.03397	19.6
120.03810	0.7
125.02458	0.5
131.03426	3.0
139.03925	3.5
143.03426	4.5
149.04485	2.1
150.03134	0.5
152.99579	0.7
161.04510	5.4
171.10185	0.8
179.05547	21.6
180.05899	0.9
183.03008	0.9
211.13333	0.6
271.26022	0.5
327.21689	0.9
444.35571	0.5
500.96027	0.5
555.26282	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	554.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27886	0.3
59.01254	22.3
69.29358	1.2
69.29781	2.8
71.01265	2.0
73.02840	0.5
78.95780	17.6
78.98462	1.8
79.95619	2.9
80.96395	19.4
81.03306	0.4
85.02803	0.5
87.00755	0.7
94.97969	4.4
96.95870	0.5
97.02865	0.5
101.02332	0.6
102.97323	0.4
106.98008	0.8
109.63277	0.3
122.96640	0.4
122.97485	1.7
125.02331	0.9
131.50800	0.4
134.97501	0.9
136.99045	0.6
148.99034	1.4
152.98453	2.3
152.99617	2.2
164.98564	3.2
168.04256	2.6
182.99644	0.9
206.99649	1.0
218.47722	0.4
224.06900	8.5
225.00700	6.2
241.12061	0.4
242.08038	1.2
243.01782	0.6
255.23280	100.0
256.23624	8.2
276.06329	0.3
299.04355	1.1
480.30966	52.4
481.31332	6.3
554.27527	1.8
555.28430	31.9
583.13263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09178	0.5
58.41759	0.5
59.01258	17.3
59.33004	0.5
63.57453	0.5
71.01255	1.1
71.57842	0.9
75.49662	0.5
78.95779	4.4
78.98458	0.8
79.95620	1.8
80.96398	9.2
82.95972	0.7
83.03984	0.6
94.97977	1.5
106.97953	0.7
109.87242	0.5
134.97473	0.8
148.99092	0.7
152.99547	1.2
164.98599	1.2
168.04227	1.5
192.84430	0.6
224.06967	0.9
225.00746	1.3
242.07953	2.1
246.74248	0.5
255.23294	100.0
256.23630	9.2
296.23434	0.6
480.30984	22.7
481.31546	2.7
554.27307	14.4
555.27191	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
57.03317	1.2
59.01252	100.0
61.98700	2.3
67.01740	0.9
68.32248	0.7
68.46889	0.9
69.23569	0.8
69.46218	7.4
71.01254	24.5
72.99191	1.9
73.02823	7.3
75.00742	4.1
78.95772	3.8
83.01246	2.4
85.02827	9.9
85.61963	0.8
87.00765	1.6
88.69322	0.9
89.02328	6.3
95.01285	1.6
97.02841	1.0
97.06476	1.2
99.00745	3.4
101.02326	14.4
107.04933	1.3
109.02818	1.3
113.02319	11.4
119.03388	1.4
119.04879	1.5
122.14072	0.9
125.02368	1.1
134.03607	1.0
135.04442	5.5
139.03697	1.0
143.03386	2.0
149.02393	0.9
151.16725	0.8
152.99475	2.1
159.02867	3.2
161.04465	19.7
161.05800	1.2
165.01877	1.3
165.05519	2.2
190.02580	2.7
205.05019	2.3
211.13371	1.0
269.19138	0.9
303.19485	1.7
315.19711	2.6
333.20743	13.0
334.21179	1.2
413.62390	1.0
477.24973	1.4
495.26031	14.9
496.26147	3.4
507.20087	2.1
519.31641	1.0
555.14673	1.3
555.24738	3.2
575.59869	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
63.96121	1.1
67.20110	0.5
69.03319	0.7
71.01257	5.9
73.02823	2.2
78.98463	5.2
79.08690	0.5
79.95608	9.6
79.96036	0.9
80.96394	62.0
81.03327	0.7
85.02821	2.3
87.00750	2.3
94.97962	13.3
96.95883	1.0
97.02820	1.4
101.02326	2.3
106.97974	2.9
112.45782	0.5
117.76262	0.6
122.97476	4.2
125.02319	3.1
134.97493	4.1
136.99034	1.9
147.67924	0.5
148.99043	4.7
152.98524	6.1
164.98549	10.4
182.99603	2.5
194.84361	0.6
206.99660	2.0
214.72878	0.5
225.00691	14.3
243.01820	0.9
253.21671	3.1
299.04373	2.1
340.22037	0.6
553.26874	100.0
554.27203	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	553.3024
Annotation	PF1070B
Peak:m/z	Relative Intensity
58.33868	1.0
64.93276	1.0
81.03363	1.3
85.02832	3.0
88.67630	1.2
95.01254	2.1
98.20666	2.7
104.49909	1.1
108.02059	100.0
109.02872	25.7
123.04443	9.8
146.57719	1.1
151.03909	1.6
152.01073	63.4
153.01874	16.9
153.05481	13.0
154.05702	1.4
163.03906	1.4
179.50218	1.1
255.23308	3.8
462.07602	1.2
547.09210	1.2
553.30212	88.2
554.30487	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	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.0
71.01239	1.2
78.95776	5.4
78.98459	0.7
79.95622	1.1
80.96394	10.0
82.95966	0.6
94.97979	2.0
101.02288	0.4
106.98014	0.4
107.47783	0.3
122.97447	0.6
125.09586	0.7
152.98482	0.6
152.99562	0.8
164.98502	0.6
167.08829	0.3
168.04182	1.8
171.10068	0.4
178.42686	0.3
187.09689	0.4
211.21561	0.3
224.06891	0.9
225.00653	1.8
226.01022	0.6
242.07956	3.3
279.23294	100.0
280.20734	0.6
280.23654	8.3
399.60904	0.5
504.30966	27.6
505.31415	3.2
554.27222	14.0
555.27209	2.1
555.34656	0.5
581.35876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.4
57.03328	5.7
59.01255	17.4
61.98700	2.4
68.99696	1.7
69.03333	1.4
70.69668	2.3
71.01259	26.9
72.01611	0.7
72.99182	5.6
73.02829	3.3
75.00752	31.1
78.43022	0.7
78.95775	1.1
83.01270	3.7
83.04919	0.9
85.02829	30.6
87.00763	9.4
87.04397	32.5
89.02317	4.0
93.03318	0.7
95.01253	3.4
96.64836	0.6
97.02840	1.1
99.00758	10.3
99.01353	0.9
101.02317	4.9
103.00247	1.0
108.02036	1.1
108.74860	0.6
109.02843	1.6
111.00766	1.1
113.02338	30.7
114.02688	0.7
115.00272	2.0
115.93023	0.8
117.01834	1.9
119.04946	0.9
121.02837	1.6
123.04368	1.0
125.02358	1.8
129.01834	1.7
134.03682	0.7
135.04327	0.7
143.04500	0.9
149.02333	0.8
150.03175	1.2
152.99496	1.9
157.01329	1.5
161.04451	1.5
163.03889	1.4
165.05460	1.0
173.04510	0.7
175.02432	4.3
175.03807	1.1
178.02650	0.9
193.04933	0.8
209.11893	1.7
212.62387	0.7
306.07352	1.0
325.20114	0.9
338.64691	0.7
341.87347	0.7
454.43832	0.7
535.23944	0.8
553.24994	100.0
554.25427	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	553.084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	20.7
60.99178	15.1
71.01256	11.3
71.57799	1.9
71.58201	2.6
71.58939	1.9
73.02837	2.1
85.02838	6.8
88.98682	68.9
89.02330	5.0
99.00783	4.5
101.02280	4.6
108.02059	3.5
109.02839	3.7
111.00785	2.5
113.02335	6.2
114.01718	1.8
119.03403	3.5
121.02874	2.9
123.00691	3.3
125.02425	2.8
134.03662	1.9
137.02325	3.2
139.00261	3.2
149.02327	2.4
151.00230	9.7
152.00995	2.2
153.01842	3.3
163.00336	3.9
166.99815	2.2
178.99809	6.4
243.02992	6.7
255.02936	16.4
271.02527	36.3
272.03055	3.9
300.02759	73.8
301.03519	36.0
463.08817	100.0
464.09177	13.1
552.23816	2.4
553.10760	3.1
553.19916	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	553.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	8.3
59.01255	46.8
59.12019	1.5
61.98707	9.8
69.03322	2.9
71.01252	31.3
72.99184	9.9
73.02807	5.2
75.00746	38.4
78.95773	1.6
83.01253	3.7
85.02824	39.2
87.00758	13.3
89.02309	5.6
93.03333	1.3
95.01263	6.6
98.20567	2.6
99.00764	16.5
101.02336	7.8
103.00257	3.0
108.02009	1.6
113.02332	50.7
115.00267	4.4
117.01815	2.7
119.04888	2.9
121.02830	2.5
125.02300	1.3
129.01857	3.3
137.02332	3.1
137.76871	1.4
139.41327	1.5
150.26535	1.3
157.01373	3.7
161.04442	1.9
167.14334	24.0
173.04369	1.6
175.02370	6.1
175.03859	2.4
190.02702	2.6
193.04883	1.5
205.04916	1.6
211.13344	21.1
212.13661	1.6
229.14412	51.4
230.14680	2.9
240.21341	1.4
249.06120	10.7
267.07220	1.8
291.18402	2.9
292.30835	1.6
303.18033	6.5
392.47696	1.4
405.21191	1.8
417.21460	3.1
479.21646	2.2
509.22403	83.0
510.22861	11.5
535.24329	2.6
553.24994	100.0
554.25433	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	552.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20273	2.6
59.01258	13.8
60.00151	2.3
71.01240	10.2
73.02792	3.1
75.00697	2.8
75.23011	2.7
85.02826	5.3
89.02277	4.2
93.03343	3.2
96.95864	4.5
104.04954	14.0
106.06510	12.9
109.25084	2.6
113.02328	5.2
116.92757	2.7
120.04459	3.1
122.02343	7.4
122.05973	4.4
132.08128	3.4
134.03621	2.7
134.06026	7.3
134.09630	4.0
137.02336	4.2
148.03951	100.0
149.04253	3.3
152.07114	5.4
160.07581	5.2
166.05013	47.9
178.02568	3.3
178.04991	4.3
184.68459	2.6
193.04939	3.7
223.08594	3.2
224.09421	3.3
229.70296	2.6
237.10326	3.3
238.11125	37.0
239.11557	3.3
249.06133	3.8
251.11932	5.3
253.13428	62.6
254.13725	7.7
304.79834	3.2
327.09845	5.5
333.05957	2.8
345.10925	34.2
346.11127	5.0
446.17215	15.7
490.16116	20.3
508.17313	91.0
509.17657	13.3
553.21790	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	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00265	0.3
59.01247	1.9
61.98692	0.4
69.41270	3.0
71.01237	1.2
75.35023	0.4
78.95781	8.0
78.98461	0.6
79.95599	1.1
80.76920	0.3
80.96394	6.7
82.95953	0.4
85.30736	0.3
94.97967	1.3
96.95834	0.4
106.97923	0.4
122.97493	0.6
134.97461	0.5
141.75349	0.3
148.99097	0.5
152.98454	0.5
152.99530	1.0
164.98524	0.9
168.04240	2.1
190.10808	0.4
224.06934	1.2
225.00761	1.4
226.01033	0.4
242.07938	3.5
254.53523	0.4
257.62769	0.3
259.20670	0.4
275.20078	0.5
277.21722	100.0
278.22092	9.5
348.10223	0.4
428.03882	0.4
502.29416	30.6
503.29733	3.6
552.25610	8.4
553.24890	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	552.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36106	0.5
59.01254	17.7
59.40858	0.5
69.09573	0.5
70.14647	0.5
71.00828	0.6
71.01260	0.8
71.13740	1.3
73.81059	0.5
78.95779	12.0
79.66238	0.5
80.96392	2.7
96.95878	0.6
97.06459	0.8
101.56612	0.6
101.77489	0.5
105.78159	0.5
113.03441	0.8
119.71680	0.6
125.09609	3.9
131.04504	2.0
135.66983	0.5
146.65410	0.5
152.99500	2.0
155.55794	0.6
165.14218	0.6
168.04248	2.3
187.09692	1.5
224.06876	2.8
225.00575	0.7
231.65646	0.5
242.07939	2.7
253.21721	100.0
254.22075	9.3
261.13342	0.8
277.21738	19.2
278.22055	2.1
284.36227	0.6
291.19672	0.9
309.20761	1.0
360.16440	0.6
449.57205	0.7
478.29373	19.8
479.29984	3.1
491.05963	0.8
502.29498	13.0
503.29843	2.2
552.25098	2.8
553.34119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79348	1.4
55.01755	1.5
57.03324	2.8
59.01254	100.0
60.01600	1.3
71.01257	20.9
72.99190	4.7
73.02822	8.1
75.00759	10.7
83.01264	4.5
85.02819	19.1
87.00757	2.7
89.02327	5.2
91.01794	1.4
94.98135	1.4
95.01257	2.4
97.02820	2.4
98.19806	2.4
99.00758	7.0
101.02329	10.9
103.00240	2.8
109.02856	2.4
113.02340	18.3
114.02676	1.4
115.00225	2.1
119.03403	2.5
119.04871	1.9
125.02330	2.0
129.01785	1.5
135.00771	3.2
137.02322	1.5
149.02350	1.9
151.00246	2.3
151.03923	2.1
153.01868	5.6
161.04486	2.8
175.02396	2.8
175.03806	1.3
183.13925	1.9
191.03471	4.2
193.01393	5.9
193.03474	4.9
193.05048	1.8
205.01437	2.2
235.04507	2.6
249.06108	1.5
257.12637	1.8
267.07260	8.0
371.23825	1.6
387.10950	3.6
405.25006	1.6
447.26056	2.7
465.26968	3.3
489.26999	4.6
507.28079	67.8
508.28299	9.7
551.23364	17.9
551.30786	4.8
552.24567	1.6
553.76721	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	551.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	14.9
62.69982	0.8
65.90726	0.7
71.01261	2.9
78.95773	1.0
87.00761	0.9
89.02341	1.6
99.64581	0.9
101.02330	2.5
113.02341	1.5
165.69447	0.9
177.42659	0.8
183.09483	0.8
229.54953	1.1
235.08240	2.4
253.09264	9.8
255.23291	100.0
256.23660	7.4
389.09406	0.9
515.14191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	3.3
62.48143	0.6
63.96110	1.4
69.03337	0.7
69.69617	2.4
69.70042	1.3
71.01255	9.3
73.02822	1.3
73.64584	0.5
73.78158	0.6
78.95785	3.5
78.98470	6.7
79.95608	10.8
80.96392	73.0
81.03334	0.7
85.02816	3.4
87.00738	2.8
94.97964	17.3
96.95883	1.3
96.97652	0.6
97.02818	2.0
98.20558	0.8
101.02332	2.6
106.98000	3.4
122.21359	0.6
122.97458	5.5
125.02302	3.0
127.03904	0.9
134.97485	5.2
136.99049	1.6
148.99052	6.5
152.98512	6.3
152.99551	1.1
164.97256	1.0
164.98541	10.3
168.04205	0.6
168.35130	0.7
182.99617	2.1
197.00294	0.7
201.28519	0.7
206.99670	3.3
225.00700	14.9
242.07919	1.3
243.01765	1.5
251.20131	3.1
277.21713	39.0
299.04428	2.2
315.14456	0.5
502.29422	12.6
551.25330	100.0
552.25684	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	551.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.2
58.00463	5.6
58.97980	3.0
59.01255	100.0
61.98672	4.5
69.03324	5.0
71.01258	72.5
71.04878	12.1
72.99172	9.3
73.02821	16.2
75.00742	14.9
78.95777	3.9
83.01263	6.8
85.02828	20.0
87.00726	8.9
89.02328	87.1
95.01280	5.2
98.19775	8.3
99.00765	22.0
101.02324	40.0
108.02045	7.7
109.02860	6.1
111.04371	3.9
113.02344	31.4
119.03377	12.4
119.04904	7.5
121.02868	6.4
125.02333	9.8
131.03397	11.0
134.03687	4.2
139.03897	6.4
143.03410	4.5
145.02829	3.5
149.04501	40.2
151.00090	4.0
152.01076	5.0
153.01707	4.0
153.12747	34.5
161.02325	6.2
161.04491	6.3
163.03926	5.9
165.12778	26.6
179.05550	4.8
179.10715	11.9
181.08626	7.9
183.13840	98.9
184.14214	4.5
191.05479	6.0
197.11763	43.4
209.11937	4.0
221.06413	3.9
221.08183	37.4
227.10771	5.1
227.12872	81.8
228.13222	7.8
233.06577	5.7
237.14937	9.5
263.12857	5.5
265.09683	3.7
281.13992	4.8
293.08731	20.9
311.09760	5.8
341.10751	4.7
371.17215	8.7
421.61255	3.1
462.73907	8.8
507.16949	7.3
507.28104	10.3
551.23090	69.5
551.31177	4.6
552.23309	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	551.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.8
56.04908	0.7
57.03329	6.1
57.46821	0.6
58.00438	1.0
59.01252	42.9
67.01716	1.2
68.99678	1.8
69.03330	2.7
71.01258	32.2
72.99185	7.3
73.02823	3.9
75.00748	24.9
83.01256	2.6
85.02824	33.9
87.00748	10.8
89.02324	10.4
91.03873	2.2
93.03336	1.4
95.01274	8.0
99.00751	13.7
101.02337	4.0
103.00254	3.7
109.02820	1.3
111.00740	2.6
111.08017	2.0
113.02332	43.7
115.00279	2.3
116.92767	4.8
117.01817	2.9
125.02329	0.8
129.01830	2.5
131.03348	1.0
139.00252	1.1
157.01308	1.6
161.04533	0.8
165.12762	19.5
166.13080	0.9
175.02388	2.9
175.93544	0.7
181.08589	1.0
183.13837	55.4
184.14175	2.7
194.96445	0.7
205.07059	1.7
207.04984	1.3
209.11766	1.7
227.12807	5.6
231.05086	1.3
249.06140	21.2
250.06395	1.3
267.07202	62.5
268.07455	3.3
301.16510	4.6
301.19693	1.0
415.19708	2.8
452.37540	0.8
459.18918	1.6
465.26993	1.1
477.19507	1.8
507.20856	1.9
507.27939	14.5
508.28369	1.0
533.22461	2.8
551.23401	100.0
552.23798	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	551.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03323	5.4
58.00449	1.2
59.00635	0.9
59.01256	26.3
62.61259	0.8
67.01746	1.4
68.99680	2.3
69.03317	1.5
70.97528	2.1
71.01256	32.9
72.99187	7.0
73.02819	3.9
75.00748	23.9
76.35759	0.7
83.01252	1.8
83.04905	1.1
84.02035	0.9
85.02827	33.6
86.03153	0.8
87.00747	13.4
89.02324	10.9
91.03859	1.1
93.03348	0.9
95.01269	6.2
97.02841	1.0
99.00756	12.5
101.02336	4.7
103.00238	3.4
108.02085	1.1
109.02843	1.9
111.00755	1.6
111.04408	1.3
111.08044	1.7
113.02338	42.1
114.02663	1.1
115.00262	2.2
116.92805	0.7
117.01801	3.1
119.03437	0.8
119.04881	1.1
129.01837	2.6
131.03398	1.1
134.03654	0.8
135.48862	0.9
139.00237	1.5
139.11142	1.0
147.37131	0.8
149.02359	0.9
157.01340	2.0
163.03903	1.2
165.12772	18.7
166.12996	1.2
175.00291	0.8
175.02361	3.7
183.10187	3.3
183.13838	53.6
184.14198	2.4
190.02632	1.0
193.05008	1.2
193.84433	0.8
205.05132	1.0
205.07053	1.9
209.11725	2.9
227.12894	7.8
227.37852	1.0
229.85454	0.8
249.06143	19.6
259.32529	0.9
267.07217	63.8
268.07520	3.3
283.15506	1.6
301.16568	7.0
389.18115	1.6
415.19724	2.6
459.18784	2.0
477.19913	1.8
507.27451	2.6
551.23413	100.0
552.23834	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	551.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69230	0.8
55.01760	3.4
57.03325	8.4
58.00454	1.6
59.01251	61.4
67.01754	0.9
68.99674	2.2
69.03320	5.1
71.01254	59.6
71.58081	1.1
72.01601	0.8
72.99184	21.0
73.02820	19.0
74.46121	0.6
75.00748	54.0
79.50681	0.7
81.03329	0.8
82.54421	0.7
83.01268	10.5
83.04860	0.8
84.02032	0.7
85.02828	56.7
86.03164	1.3
87.00756	17.2
87.04383	0.8
89.02318	11.9
93.03304	1.3
95.01263	6.8
97.02825	7.8
97.06435	0.8
99.00761	18.2
101.02319	17.4
103.00267	7.5
107.01322	0.7
108.02007	0.8
109.02834	1.3
111.00759	2.8
111.04415	3.8
113.02334	54.8
114.02657	1.3
114.93269	0.9
115.00254	4.6
115.03842	0.8
116.92698	0.8
117.01844	4.4
117.03417	0.7
119.03391	1.2
119.04964	0.7
121.02826	2.4
123.04394	0.7
125.02351	3.3
125.09597	1.5
125.54070	0.6
129.01816	3.2
131.03380	10.7
133.01320	1.5
134.03590	1.0
135.04393	2.1
137.02373	1.1
143.03369	1.1
145.02814	1.8
146.92096	0.6
149.02415	0.8
149.04425	1.8
151.00264	1.3
151.03891	3.6
155.03351	0.9
157.01321	2.7
160.01622	0.9
161.04433	1.0
162.49539	0.7
163.02376	1.0
171.10167	2.2
173.04480	13.0
175.02426	11.6
175.03828	1.3
178.99702	0.9
179.03409	1.5
181.08638	2.0
191.03410	2.5
191.05490	3.5
193.01447	3.7
193.03465	59.2
194.03792	1.4
201.11275	11.6
203.05559	1.6
205.01393	1.0
207.10217	0.8
217.03481	2.2
235.04558	28.3
235.06967	1.5
236.04868	1.6
273.07764	0.6
301.20279	0.9
369.15491	1.6
371.24197	1.5
379.08768	15.8
379.19516	1.3
380.09064	0.8
387.10861	3.0
389.26169	1.0
397.09879	8.4
401.07547	0.7
507.20734	9.1
507.28070	5.3
508.21381	1.1
533.29706	4.9
551.23450	100.0
551.30786	12.4
552.23883	13.1
552.31128	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2137
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
55.01753	2.9
57.03309	2.0
58.00461	1.7
59.01254	54.9
71.00894	2.6
71.01260	39.0
71.26989	1.3
71.55724	1.4
72.99168	4.7
73.02808	6.5
75.00729	3.0
83.01254	5.5
85.02825	16.8
87.00753	5.5
88.14060	1.3
89.02318	19.9
93.43627	1.5
95.01270	3.3
96.95902	11.0
99.00748	3.3
100.76914	1.4
101.02309	20.4
111.00785	2.4
113.02338	13.9
119.03384	6.6
121.02846	3.6
124.01505	3.5
125.02316	2.8
131.03326	1.9
135.04388	4.8
137.02327	2.3
139.03922	3.9
145.02896	1.8
149.02429	1.5
150.03094	2.3
151.03836	1.5
153.05571	2.0
159.04401	1.8
160.01549	1.6
161.04456	2.1
163.03877	5.0
165.05489	1.8
173.05910	3.3
174.03114	2.6
175.03925	16.6
176.04588	2.2
177.05484	2.2
180.04211	6.9
187.07593	1.8
188.04703	2.1
189.05478	6.3
190.02762	2.6
190.06268	19.2
191.07025	13.5
193.05034	8.9
194.05707	4.5
203.07108	3.3
205.05019	2.5
205.08661	15.1
207.06534	5.0
208.07309	13.2
227.07097	3.6
229.67529	2.2
249.72583	1.6
256.03802	3.9
271.06055	3.5
283.06073	3.4
295.06155	3.8
296.06665	2.0
297.07718	1.7
298.08401	3.6
299.09174	2.2
300.26468	1.5
311.09271	3.3
317.45917	1.5
325.10825	2.6
326.07983	3.2
329.10461	2.4
337.09064	2.1
341.10349	9.7
343.11819	4.5
344.12579	3.4
356.12704	4.1
359.11221	13.5
359.15002	72.3
360.15448	8.0
367.10385	2.2
371.15033	6.2
374.13699	23.0
389.16095	62.0
390.16498	9.0
492.23047	1.6
551.21387	100.0
552.21747	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	551.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.9
57.03309	2.0
58.00461	1.7
59.01254	54.9
71.00894	2.6
71.01260	39.0
71.26989	1.3
71.55724	1.4
72.99168	4.7
73.02808	6.5
75.00729	3.0
83.01254	5.5
85.02825	16.8
87.00753	5.5
88.14060	1.3
89.02318	19.9
93.43627	1.5
95.01270	3.3
96.95902	11.0
99.00748	3.3
100.76914	1.4
101.02309	20.4
111.00785	2.4
113.02338	13.9
119.03384	6.6
121.02846	3.6
124.01505	3.5
125.02316	2.8
131.03326	1.9
135.04388	4.8
137.02327	2.3
139.03922	3.9
145.02896	1.8
149.02429	1.5
150.03094	2.3
151.03836	1.5
153.05571	2.0
159.04401	1.8
160.01549	1.6
161.04456	2.1
163.03877	5.0
165.05489	1.8
173.05910	3.3
174.03114	2.6
175.03925	16.6
176.04588	2.2
177.05484	2.2
180.04211	6.9
187.07593	1.8
188.04703	2.1
189.05478	6.3
190.02762	2.6
190.06268	19.2
191.07025	13.5
193.05034	8.9
194.05707	4.5
203.07108	3.3
205.05019	2.5
205.08661	15.1
207.06534	5.0
208.07309	13.2
227.07097	3.6
229.67529	2.2
249.72583	1.6
256.03802	3.9
271.06055	3.5
283.06073	3.4
295.06155	3.8
296.06665	2.0
297.07718	1.7
298.08401	3.6
299.09174	2.2
300.26468	1.5
311.09271	3.3
317.45917	1.5
325.10825	2.6
326.07983	3.2
329.10461	2.4
337.09064	2.1
341.10349	9.7
343.11819	4.5
344.12579	3.4
356.12704	4.1
359.11221	13.5
359.15002	72.3
360.15448	8.0
367.10385	2.2
371.15033	6.2
374.13699	23.0
389.16095	62.0
390.16498	9.0
492.23047	1.6
551.21387	100.0
552.21747	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	551.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	11.8
58.40410	5.4
59.01262	10.4
71.01281	9.5
71.56044	9.6
71.56432	6.8
74.00543	7.2
74.15827	5.8
75.94321	7.6
85.02843	23.9
87.00778	25.4
89.02322	8.8
101.02384	6.1
129.01811	11.2
136.00632	6.1
147.02910	7.1
191.01877	16.5
209.03142	6.3
209.06602	100.0
237.50658	6.1
313.14734	6.9
429.75790	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	551.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.1
57.03326	1.9
58.00471	6.1
59.01251	100.0
60.01589	1.3
69.00829	0.7
71.01255	71.2
71.58021	0.8
72.01585	1.8
72.99175	7.0
73.02814	3.7
75.00755	4.9
75.99755	0.7
83.01270	2.5
85.02824	13.0
87.00741	4.8
89.02319	89.9
90.02660	1.5
90.92280	0.8
93.03313	0.8
95.01279	3.9
97.02876	0.9
99.00768	2.1
99.92455	3.7
101.02324	39.3
102.41103	0.9
106.04172	0.8
108.02052	4.1
109.02841	6.8
113.02328	30.5
114.02691	1.0
116.92746	39.6
117.92768	2.0
119.03394	39.5
121.02846	5.0
125.02358	2.0
131.03416	5.4
134.03676	0.9
137.02370	2.0
138.03130	1.1
139.00311	1.0
143.03384	5.3
145.02922	0.7
147.04433	1.0
149.04485	3.2
151.00288	3.4
151.03914	0.9
152.01067	7.3
153.01826	1.4
153.05553	1.5
157.01382	1.0
159.04402	1.4
161.04449	5.0
161.05780	0.9
163.03894	1.5
165.01874	0.8
166.05011	1.4
171.04524	1.0
173.06013	3.2
175.02446	1.2
175.03905	6.1
177.05516	2.5
179.05550	12.2
179.06989	1.2
179.98759	1.1
180.04288	1.3
180.99629	1.5
187.03908	5.3
189.05507	1.2
189.09129	0.8
190.06293	3.0
191.06989	1.4
193.05029	1.3
195.06668	1.0
202.06364	1.2
205.05014	6.1
205.08704	1.6
208.07414	1.0
209.11627	0.9
213.09177	2.9
219.06523	1.3
220.07349	7.2
235.09714	5.8
279.06711	0.8
283.10065	0.8
300.02859	1.0
311.09280	8.8
313.98917	1.6
314.99680	19.1
315.03238	1.4
316.00049	2.0
326.11548	4.1
341.10382	1.0
341.13922	3.2
356.12549	1.4
359.15155	2.2
371.14999	35.3
372.15372	3.2
429.10541	3.2
479.06552	21.3
480.07053	3.1
508.16879	1.0
551.14923	5.4
551.22925	2.3
551.29871	4.8
552.14642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21819	0.5
57.03313	1.4
59.01253	13.1
61.98698	0.7
68.99702	0.7
69.03326	0.6
69.24819	1.2
69.25227	5.8
69.62760	0.6
71.01251	9.0
72.99183	2.4
73.02805	1.6
74.02347	2.2
75.00744	4.6
78.95751	0.6
83.01257	1.1
85.02821	5.7
87.00754	2.4
89.02323	2.5
93.03304	1.1
95.01283	1.3
96.95860	1.6
98.19765	1.1
99.00746	2.1
101.02342	4.7
109.02821	1.3
111.00813	0.6
113.02321	6.7
119.03370	0.8
119.04934	2.2
121.02824	0.8
123.04400	1.2
131.03317	0.7
137.02321	0.9
139.03827	1.0
141.01888	0.5
143.74292	0.6
149.02396	0.6
151.00266	1.1
151.03854	0.8
153.01840	0.6
153.12701	0.8
163.03888	1.4
165.01797	0.8
165.12767	1.4
167.03458	2.9
175.03873	1.3
178.99803	0.9
183.13858	3.3
185.11745	0.9
193.05119	0.9
197.11710	1.0
205.04959	0.7
205.72272	0.6
209.11681	0.9
227.12868	0.9
243.02988	1.0
249.06169	1.8
265.09766	0.7
267.07159	3.2
271.02466	21.2
272.02762	2.0
285.03998	0.8
299.01965	74.8
300.02350	7.0
301.19958	1.4
313.03629	0.7
314.04318	24.2
315.04636	3.0
327.05161	0.6
329.06656	100.0
330.06992	10.6
355.07941	0.6
371.07690	1.1
506.27444	2.0
507.27225	3.9
550.32104	1.9
551.23322	7.4
551.30640	9.6
551.42365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	3.0
60.11010	0.5
61.98690	1.2
70.87704	1.5
71.01252	1.4
78.95781	37.8
80.96401	1.0
95.20042	0.5
95.96070	1.8
96.96850	4.5
97.06480	0.8
99.08049	1.0
113.02356	0.6
113.09599	1.1
115.07544	0.9
122.98428	21.4
125.00001	2.9
127.07543	2.0
128.08318	2.8
129.09108	1.1
133.16370	0.5
150.98010	0.7
151.01575	1.5
152.99498	22.7
165.12802	3.0
168.04250	4.1
171.00511	1.2
181.02718	1.2
181.12270	1.3
182.05754	0.6
183.13824	1.2
193.12285	0.6
195.13861	2.4
197.15320	0.7
209.11847	0.4
209.15378	2.9
211.13367	1.2
224.06886	2.2
225.14886	1.2
227.16512	1.3
230.33763	0.6
242.07941	5.1
275.20047	0.6
293.21249	6.4
294.21439	0.6
307.22787	2.3
311.22293	6.3
312.22437	0.6
325.23843	100.0
326.24200	9.5
447.21463	0.9
465.22781	5.6
466.22528	0.6
491.24353	2.7
492.24667	0.9
550.31506	21.4
551.21777	0.6
551.31903	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	550.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.9
59.85770	0.5
61.98711	1.2
71.01276	0.6
71.58663	0.8
78.95777	2.4
90.03381	0.6
90.69299	0.6
114.11861	0.5
115.81268	0.5
121.02851	1.6
122.03135	0.8
122.06014	1.5
123.06766	1.0
124.07593	1.1
132.04469	6.6
133.05209	1.8
134.06050	5.2
150.05603	0.8
152.99564	1.1
160.03951	1.3
164.03375	0.9
165.01833	1.7
165.04279	3.4
177.06635	1.5
182.82014	0.5
187.10918	0.5
198.09195	1.8
212.05917	1.0
213.06660	9.3
215.11920	0.9
223.13336	0.8
226.07324	1.1
227.08238	9.1
228.08881	2.2
229.09695	1.0
239.08342	0.7
240.08852	0.8
241.09804	9.8
255.07748	2.3
255.11397	1.3
256.08572	0.5
256.12122	0.8
257.12939	5.4
269.09311	1.6
273.08759	0.6
283.10919	4.5
284.11594	6.8
285.12424	2.8
301.11945	2.0
316.10669	15.3
317.11139	1.5
323.22266	1.6
364.13095	2.2
378.14423	1.8
380.16122	1.0
392.16043	2.0
408.19272	6.3
434.17371	1.9
451.17685	1.6
452.18301	100.0
453.18628	14.0
541.70941	0.7
548.92987	0.6
550.25812	1.5
551.26672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03328	2.0
58.00487	0.3
59.01252	100.0
60.01595	0.9
61.98707	1.0
68.99693	0.4
69.03334	1.1
71.01255	13.4
72.99196	1.2
73.02812	3.4
75.00768	1.0
78.95761	0.8
79.95608	0.7
80.96393	3.0
83.01263	4.1
84.67908	0.4
85.02827	8.9
85.99960	0.6
87.00771	1.3
89.02347	0.9
91.16474	0.4
94.97970	0.8
95.01274	1.6
97.02855	0.9
98.20554	0.8
99.00744	2.3
101.02326	10.3
108.02131	0.4
111.00796	1.1
112.25333	0.3
113.02330	6.9
115.03904	0.5
121.02955	0.4
124.01473	0.5
125.02383	1.6
127.11245	0.5
129.01869	0.6
135.04491	0.5
137.09639	0.4
138.01923	0.7
141.12790	0.4
143.03444	1.4
152.99519	1.7
159.02960	0.9
161.04498	1.4
164.98521	0.8
171.13899	1.0
172.14297	0.4
207.10071	0.4
225.00789	0.8
258.97882	0.3
279.23380	0.8
299.25873	3.2
301.03763	0.4
345.18393	0.5
345.30066	7.2
345.33929	0.4
346.30383	0.4
441.32370	0.7
459.33334	0.6
489.34311	40.4
490.34637	6.8
507.35370	19.3
508.35699	3.2
549.20013	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	2.1
57.03328	5.6
58.00445	0.7
59.01254	24.8
65.00167	0.6
68.99671	0.5
69.03320	0.9
69.69276	1.8
69.69706	1.9
71.01257	25.8
72.99197	4.7
73.02814	6.4
75.00749	23.2
81.14292	0.5
83.01251	4.3
85.02827	28.3
87.00753	6.9
89.02322	5.6
93.03326	1.6
95.01278	3.0
96.95884	1.0
97.02821	1.0
99.00758	8.0
99.05502	0.6
101.02326	8.3
103.00232	0.8
103.51081	0.6
107.01226	1.1
108.02086	1.1
109.02829	1.6
109.99994	2.5
111.00751	2.0
112.01479	0.6
113.02332	23.3
114.02625	0.8
115.00256	2.4
117.01803	0.9
119.03381	1.6
119.04910	0.8
121.02830	0.5
123.00726	1.0
123.04409	0.9
123.08029	0.7
125.02303	1.5
128.03433	0.8
129.01810	0.9
131.03400	1.2
136.01518	0.9
136.98663	0.7
137.02290	1.5
137.99513	0.7
139.00224	2.5
143.03406	0.6
143.04572	0.7
144.01268	0.5
145.02859	1.0
151.00267	2.6
151.03836	1.4
152.00984	1.8
153.01784	1.1
159.02852	0.7
161.04420	2.1
161.05797	0.7
163.00282	1.1
163.03815	0.9
165.98987	2.4
166.99779	1.2
173.05807	0.5
175.02466	2.9
175.03860	0.8
178.99678	1.3
179.03285	0.6
181.04906	0.7
187.03864	0.6
211.03946	0.7
217.04976	0.6
226.02603	0.5
227.03447	3.9
229.04984	2.0
239.03464	0.9
243.02904	1.2
249.06075	0.7
255.02975	6.9
256.03482	1.0
257.04498	1.5
267.07062	0.6
271.02524	4.5
272.02734	0.8
283.02322	1.4
284.03262	4.1
285.04028	14.5
286.04297	1.3
289.07068	1.5
299.01801	1.0
300.02725	13.3
301.00266	0.8
301.03528	12.8
302.03714	1.1
345.06036	1.2
369.22922	3.3
373.22162	1.0
387.14456	2.0
403.15817	1.0
463.08881	0.6
505.02951	0.7
505.09860	9.5
506.10019	1.8
531.24481	0.8
549.25385	100.0
550.25739	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	549.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00561	1.8
55.01747	2.7
57.03306	5.7
58.00449	1.7
59.01250	93.5
60.01580	2.4
69.03312	1.9
69.31732	16.6
71.01253	37.3
71.04881	1.8
72.99179	8.8
73.02819	9.2
74.02348	3.7
75.00751	17.1
83.01228	8.4
83.04890	3.6
85.02827	28.7
85.14008	2.0
87.00739	6.8
88.98686	2.2
89.02312	14.5
93.03316	2.0
95.01263	3.4
96.95872	4.2
97.02822	3.5
99.00743	11.2
99.05574	3.0
101.02328	20.1
109.02836	5.9
111.00766	2.8
111.04402	2.6
113.02338	26.0
115.00327	1.9
119.03403	2.3
119.04898	7.3
121.02828	3.2
123.04391	4.2
125.02363	4.5
133.80861	1.6
135.04425	4.0
143.04535	3.2
149.02324	2.2
151.00507	1.8
151.03899	3.9
161.02335	3.9
161.05914	2.7
163.03894	2.8
167.03481	1.8
175.02400	3.0
175.03886	2.6
177.03333	3.3
177.05429	2.3
179.03223	3.4
181.05057	2.5
181.08620	5.7
190.02641	2.8
191.05467	2.5
193.04965	3.7
205.04953	2.2
206.05199	2.0
215.12799	3.7
217.08664	3.0
219.17502	2.4
237.18529	3.2
243.15962	2.9
249.06232	3.6
255.19591	4.6
267.07208	2.0
281.17462	3.6
299.18658	12.1
301.20099	2.0
314.86694	2.1
327.21933	3.8
369.13382	11.0
370.13654	5.2
371.14044	8.7
387.27509	2.9
445.24081	4.2
463.25519	12.3
464.24969	2.6
487.25613	3.2
505.26566	100.0
506.26767	13.5
549.24646	59.6
549.32861	12.5
550.25348	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	549.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	3.0
61.98698	0.8
63.96102	1.3
69.03333	1.1
71.01256	9.5
71.06650	1.7
73.02818	2.1
78.95793	3.0
78.98475	5.4
79.95615	12.1
80.96398	76.6
81.03323	1.6
85.02827	3.0
87.00758	3.3
94.97968	16.6
96.95872	1.6
97.02844	0.9
99.00747	1.0
101.02324	4.0
105.98962	0.8
106.97971	4.0
113.02387	0.7
121.02869	0.7
122.97473	6.0
125.02342	3.2
127.03904	0.8
134.97501	4.0
136.99057	1.3
148.99062	6.9
152.98515	6.8
152.99541	1.8
164.97301	0.8
164.98558	11.5
182.99681	3.2
185.02145	1.0
206.99586	2.8
225.00717	15.1
243.01775	2.1
249.18585	1.8
251.20242	1.0
277.18137	8.7
278.18320	1.0
279.19659	3.7
292.36807	0.7
295.19168	9.2
296.19333	0.9
299.04495	2.5
321.24423	1.6
363.25266	1.5
368.21756	0.7
411.00302	0.7
463.20914	1.3
549.23657	100.0
550.23975	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	549.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31128	0.2
59.01250	0.7
65.06593	0.2
69.03543	0.2
69.27197	0.7
69.27615	2.1
77.03830	2.0
93.03326	0.4
105.47971	0.2
121.02849	100.0
122.03183	4.4
137.02330	0.4
147.04431	0.3
165.01849	54.0
166.02173	2.2
168.34023	0.2
180.05777	0.7
181.06532	2.6
191.03366	0.3
193.06596	0.2
197.06026	2.5
198.06325	0.2
207.04440	1.1
207.08163	0.5
223.03935	0.4
225.05545	1.5
257.09753	0.7
285.68414	0.3
313.07294	1.5
357.06207	0.6
373.11050	0.2
374.11615	0.2
381.26077	0.3
383.07822	0.5
417.09866	2.5
505.11557	1.6
549.10413	21.6
550.10815	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	549.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.9
59.01255	24.1
64.42148	1.5
69.03323	2.5
71.01260	13.5
71.57907	2.2
72.99185	3.2
73.02843	6.4
75.00759	5.4
75.70791	1.4
78.72903	1.2
83.01266	1.9
85.02831	10.1
86.61945	1.2
87.00756	3.7
89.02317	5.8
93.03339	2.5
95.01269	2.0
96.95886	1.7
99.00758	3.1
101.02332	9.2
104.03355	1.5
107.01286	3.1
109.02818	4.6
113.02350	11.2
115.00253	1.3
116.63271	1.2
119.03436	1.7
119.04939	1.6
121.02865	3.8
123.00790	2.7
123.04405	2.9
124.47533	1.2
125.02328	4.6
128.68422	1.4
136.01572	48.2
137.02399	10.4
139.00365	1.5
145.02840	1.8
149.02390	1.6
149.05975	2.5
151.00319	14.0
151.03923	64.6
152.01048	2.2
152.04407	2.4
153.01936	1.7
159.04361	2.3
161.02350	1.8
161.04532	1.4
163.00218	1.8
163.03938	2.4
166.02657	26.9
167.03294	2.2
175.03900	1.6
177.01814	4.3
177.05499	1.8
179.03471	1.6
179.06989	2.1
181.04987	36.0
184.03786	1.5
187.03993	2.6
189.05496	1.7
193.01462	2.4
193.03322	2.2
203.07112	2.4
205.01276	2.1
205.05055	2.1
227.03456	8.6
229.05098	6.5
235.02444	2.8
243.02962	1.5
255.02959	19.0
255.10269	1.6
256.03598	4.3
257.04477	3.0
267.07272	3.0
271.02472	5.4
272.02835	3.7
273.03156	2.7
277.04532	1.4
284.03256	13.5
285.04068	50.7
286.04471	4.6
289.07196	4.6
298.01331	2.0
300.02744	7.9
301.03403	9.7
302.03427	6.8
303.03876	3.9
322.51181	1.5
329.10202	2.4
329.16147	1.5
330.41415	2.0
357.09970	11.5
372.12045	7.3
387.14517	100.0
388.15021	11.2
431.19458	1.6
505.09644	2.3
524.66528	1.5
549.12347	17.9
549.28656	15.7
550.12061	1.9
550.27020	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	549.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.9
57.03082	0.4
57.03329	5.0
58.00459	0.4
58.89476	0.3
59.01252	28.4
67.01762	0.5
68.99693	2.0
69.03328	0.7
71.01256	21.7
72.01600	0.4
72.99180	4.3
73.02819	4.0
75.00748	27.7
76.01095	0.3
83.01257	3.0
84.02045	0.3
85.02826	28.7
86.03181	0.6
87.00748	6.7
89.02320	2.0
90.58256	0.3
91.39933	0.3
93.03311	0.3
94.15798	0.3
95.01250	4.1
96.99174	0.5
97.02836	0.8
98.20750	0.5
99.00761	10.5
101.02322	4.9
103.00220	0.5
110.36492	0.4
111.00771	3.0
112.01574	0.6
113.02335	27.0
114.02640	0.9
115.00285	2.5
116.01010	0.3
117.01797	1.1
119.27340	0.3
121.02826	0.3
125.02324	0.7
127.03812	0.4
129.01823	1.6
131.03389	0.5
132.47548	0.3
139.00293	3.2
141.40872	0.3
143.03397	0.6
143.04483	0.4
157.01361	1.9
159.02847	0.4
161.04543	1.6
173.04466	0.5
175.02393	3.4
180.52180	0.3
243.03023	0.4
255.02783	0.6
255.34140	0.4
262.83075	0.3
271.02444	0.6
300.02667	1.3
301.03418	0.6
331.17712	2.0
333.24640	0.3
404.12372	0.3
445.20721	2.3
463.22171	0.6
488.64972	0.3
489.19815	1.4
503.60944	0.4
505.10117	1.8
531.20807	1.2
549.21875	100.0
550.22211	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	547.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33981	0.3
55.01762	1.0
57.03324	1.7
58.00473	0.4
59.01254	100.0
60.01591	1.1
62.37020	0.3
69.03346	0.6
70.22031	0.4
70.55154	0.9
70.55507	0.6
71.01257	15.6
72.99179	1.2
73.02818	5.6
75.00751	0.5
83.01268	4.5
85.02830	9.6
87.00776	1.2
89.02312	1.8
95.01281	1.3
97.02837	1.0
99.00761	2.4
101.02325	12.1
111.00792	1.3
112.01592	0.4
113.02334	7.9
113.03059	0.6
115.03894	0.8
119.03409	0.7
121.10160	1.4
124.01566	0.6
125.02316	1.8
129.01860	0.7
141.12802	0.5
143.03410	2.4
149.13297	0.8
157.12292	0.9
159.02931	1.4
160.01563	2.3
161.04468	3.5
171.13873	0.6
175.03912	1.9
183.13924	1.7
185.15488	1.0
193.05014	0.3
213.14980	0.5
237.54057	0.3
253.09337	1.2
279.23386	0.5
293.21298	0.3
297.24451	0.5
301.16666	0.4
311.22321	5.1
315.18192	0.3
325.27573	1.1
329.19791	0.4
333.19406	0.4
341.27048	0.3
343.28479	3.9
347.20935	1.1
367.25027	0.5
385.25934	0.6
439.30899	0.6
457.31796	0.5
469.32175	0.4
487.32819	26.5
488.33051	4.1
505.33881	16.7
506.34360	2.6
547.18268	0.7
547.31573	6.3
548.32111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0887
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01256	5.3
69.14988	1.6
69.25471	16.7
71.01261	4.2
75.00748	4.9
85.02840	6.6
87.00739	1.8
99.00743	2.7
107.01270	2.6
108.02052	1.8
109.02782	2.1
109.36076	1.4
113.02356	3.4
121.02877	1.7
122.15056	1.4
151.00255	10.9
163.00301	3.2
170.56424	1.4
178.99782	4.7
213.03851	1.5
213.22958	1.7
226.02776	2.5
227.03456	3.6
243.02994	11.7
255.03000	25.2
271.02475	57.2
272.02850	7.8
299.02011	2.0
300.02750	100.0
301.03485	45.3
302.03839	1.9
463.08875	4.1
505.09921	51.8
506.10297	6.9
530.92914	1.4
549.21881	15.8
550.21881	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	549.0887
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.37592	2.9
55.93873	3.2
59.01255	48.7
64.79205	2.9
65.00209	4.4
69.57942	22.5
71.01262	24.8
72.99182	4.8
73.02821	13.5
75.00738	13.3
76.97640	2.7
83.01253	3.9
85.02836	21.2
87.00755	5.1
89.02321	11.6
93.03313	3.4
95.01258	4.8
99.00757	7.1
101.02326	9.7
107.01298	3.2
108.02038	3.9
109.02845	7.9
110.00000	14.0
113.02322	20.4
120.17782	3.0
123.00777	4.3
125.02347	3.6
136.01537	7.9
136.98680	4.3
137.02304	3.5
137.99409	3.5
139.00273	18.4
144.64958	3.3
149.02327	3.3
151.00266	12.9
151.03896	18.7
152.01030	8.3
153.01825	3.1
159.04390	4.2
163.00320	5.1
165.99033	20.6
166.02657	4.4
166.99773	8.8
167.04909	2.9
171.04320	4.0
178.99799	6.2
181.05000	9.2
183.04288	3.6
187.03943	3.3
192.60902	3.0
211.03972	4.8
212.04810	2.8
219.05963	3.0
227.03398	19.4
229.04962	12.3
239.03464	6.0
243.02954	8.8
255.02972	42.1
256.03619	7.2
257.04456	12.3
271.02466	24.9
272.03131	5.8
283.02408	13.3
284.03220	19.4
285.04013	82.4
286.04492	6.6
289.07263	7.7
299.01877	6.5
300.02722	98.7
301.03494	100.0
302.03790	11.0
345.64563	3.3
357.09756	5.4
369.22827	16.8
387.14514	22.8
485.83228	2.8
505.09882	72.4
506.10010	9.2
549.12970	17.2
549.25696	35.3
550.13055	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	547.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
56.92971	0.5
57.03328	3.4
59.01255	23.6
65.00223	0.6
67.01738	1.0
68.99681	1.4
69.03324	1.5
69.25548	1.9
69.25963	5.1
71.01259	20.5
72.02026	1.7
72.99183	5.3
73.02828	3.8
75.00750	15.8
75.25946	0.6
83.01247	1.6
85.02346	0.9
85.02832	15.3
86.03180	0.9
87.00750	4.5
87.04403	2.8
89.02315	4.1
93.03367	0.9
95.01271	4.6
97.02805	0.9
97.06461	0.7
99.00759	9.3
101.02348	2.9
103.00236	1.4
108.02023	0.8
109.02824	1.2
111.04394	0.7
113.02334	19.1
115.00234	1.9
117.01803	2.5
119.03353	1.0
119.04967	0.8
123.08037	0.9
125.02367	1.3
125.09631	5.6
127.39766	0.6
129.01778	1.1
141.08087	0.8
141.09126	10.6
148.01436	0.7
151.00247	0.9
151.11197	0.9
152.00978	0.7
153.09077	0.8
155.10660	2.7
157.01231	0.6
160.01537	0.6
161.04460	0.7
167.03345	0.9
169.12219	3.5
171.10222	1.0
175.02425	2.8
199.42900	0.6
205.07069	0.8
214.02551	1.0
224.17558	0.6
231.05084	0.8
237.18558	1.7
241.01410	1.4
242.02180	2.6
245.00862	1.1
249.06155	13.5
250.06378	0.8
251.20119	1.4
253.09328	1.1
267.07153	2.6
267.19672	1.9
270.01703	2.9
271.02356	1.3
279.19748	1.1
293.17636	2.9
297.20706	25.7
298.01129	1.6
298.21063	1.8
299.01901	0.7
302.03534	0.7
349.20068	0.6
359.00189	0.6
403.16931	0.6
414.09528	0.9
487.25790	0.9
487.32312	2.7
495.71744	0.7
505.33780	1.3
529.26422	2.7
547.15454	5.1
547.27557	100.0
548.14990	1.4
548.27917	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	547.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
57.03328	3.9
58.00467	0.8
59.01253	19.3
67.01756	0.5
69.03329	1.1
70.49236	1.7
71.01252	27.5
72.36313	0.5
72.99183	4.4
73.02808	1.7
75.00747	29.8
77.29642	0.5
83.01257	3.1
84.02081	0.8
85.02824	26.9
86.03165	0.5
87.00745	8.4
89.02321	8.0
95.01282	2.6
97.02831	2.4
99.00762	9.1
101.02324	5.3
103.00246	0.7
111.00727	1.2
113.02332	28.8
114.02680	0.7
115.00259	3.3
117.01840	2.0
119.03380	2.2
129.01816	0.8
131.03423	3.1
148.87213	0.5
157.01340	1.5
158.21887	0.5
160.03947	4.7
173.04469	6.3
175.02403	4.6
185.13745	0.5
186.66354	0.5
191.05595	1.4
193.03438	1.1
197.73468	0.5
211.50693	0.5
215.05597	1.2
235.04552	0.8
345.18796	0.6
429.21503	0.6
547.23969	100.0
548.16211	1.1
548.24261	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	547.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75169	0.7
55.01753	1.2
57.03324	3.7
58.00451	0.8
59.01253	24.3
69.03343	1.4
71.01254	32.6
72.99187	4.9
73.02818	3.4
73.33723	0.7
75.00748	26.6
83.01244	2.5
84.01524	0.8
85.02825	27.3
86.03170	1.1
87.00745	7.3
88.03860	0.8
88.98672	1.3
89.02321	9.0
95.01252	4.1
96.95869	1.0
97.02831	1.6
99.00762	10.0
101.02316	7.7
103.00221	1.1
107.04913	1.1
108.01984	0.8
109.02822	2.0
111.00775	1.0
113.02334	27.9
114.02674	1.3
115.00249	2.6
117.01814	2.5
119.03383	2.3
119.04954	0.8
125.02359	1.2
128.03439	1.0
129.01822	0.8
131.03377	2.8
133.02751	0.9
134.03609	2.0
135.04420	37.2
136.01506	2.0
136.04729	1.9
137.02313	1.8
139.42188	0.7
143.03436	0.8
143.04501	1.1
145.02835	1.9
149.04378	0.9
149.53416	0.7
151.00244	1.5
151.03925	1.8
152.01053	1.1
153.01834	1.4
157.01344	1.0
161.02348	1.2
161.13397	0.7
163.03755	1.0
170.12451	0.8
173.04468	3.6
175.02368	3.0
175.03857	1.5
176.03329	1.2
178.99803	1.3
179.03424	36.4
180.03754	1.8
190.02596	1.9
201.02116	0.8
205.05006	1.7
217.15941	1.4
223.05994	0.9
249.06125	1.1
300.02585	1.1
304.74930	0.7
306.07697	1.0
341.08438	1.0
343.08133	1.9
343.11948	2.1
353.06586	2.9
367.10294	2.0
432.10880	0.8
437.11676	0.8
438.49643	0.8
487.21735	0.8
492.51004	0.8
503.16049	0.9
511.22058	2.0
529.13507	1.5
529.24237	0.8
547.23950	100.0
548.24194	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	547.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.6
57.03322	4.8
58.00476	0.7
59.01253	10.6
68.99693	0.4
69.03329	1.0
70.89426	1.3
71.01257	20.7
72.99181	4.4
73.02810	3.3
75.00748	22.2
83.01260	2.1
85.02824	26.1
86.03160	0.5
86.29375	0.4
87.00754	8.5
87.91943	0.5
89.02319	3.3
94.47449	0.5
95.01266	3.1
97.02830	1.0
97.18218	0.4
99.00760	8.9
101.02328	6.3
101.39233	0.4
103.00252	1.0
111.00758	1.2
113.02337	26.4
114.02656	0.6
115.00262	5.4
117.01810	1.7
119.03378	0.6
125.02368	0.4
127.52750	0.4
129.01813	1.0
131.03412	0.6
135.02902	0.4
137.09581	0.6
157.01317	1.2
159.02895	0.5
161.04440	1.0
173.04512	0.8
175.02405	7.2
191.22903	0.5
192.00259	0.5
209.15387	1.6
219.05017	0.5
263.16562	0.4
371.20697	1.4
515.23352	0.5
547.23975	100.0
548.24353	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	547.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.0
57.03330	5.4
58.00461	0.9
58.72591	0.5
59.01251	20.4
60.01604	0.5
67.01794	0.6
68.99671	0.7
69.03323	1.3
69.24360	2.3
69.24789	3.4
71.01255	29.1
72.01598	0.7
72.99187	5.8
73.02814	4.4
75.00748	26.9
79.95608	0.6
83.01259	4.2
83.04881	0.5
84.02065	1.1
85.02825	33.7
86.02365	0.8
86.03136	0.8
87.00757	9.9
87.39286	0.5
89.02319	8.9
90.02699	0.5
91.01786	0.9
93.03374	0.7
95.01266	4.1
95.01793	0.7
96.95880	2.5
97.02829	1.9
99.00755	9.9
99.01356	0.9
101.02325	11.1
103.00239	1.5
111.00751	1.9
112.01571	0.7
113.02333	31.7
114.02668	0.8
115.00257	3.8
115.03922	0.7
117.01814	2.0
119.03407	1.9
119.04868	1.0
119.08557	0.5
121.02862	0.7
123.00809	0.5
123.04433	0.5
125.02338	1.2
129.01807	1.4
131.03413	2.0
135.00740	1.5
137.02364	0.7
141.01868	0.5
143.03377	1.0
157.01320	1.5
161.04491	4.4
163.03940	1.0
164.04727	0.9
165.09108	0.6
167.03368	3.5
173.04405	1.7
175.02409	7.0
179.05501	2.4
179.06931	0.8
191.05557	1.8
205.05052	1.0
206.04521	1.0
209.08134	0.7
219.49257	0.6
223.06046	0.6
249.06151	1.6
267.07236	1.4
282.56516	0.5
340.43713	0.7
344.38818	0.6
386.12372	0.9
424.00879	0.6
547.24023	100.0
548.16254	1.1
548.24365	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	547.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.0
57.03320	1.4
58.00469	1.4
59.01255	21.7
65.00208	1.1
66.66309	0.5
71.01259	17.4
72.99184	4.6
73.02831	1.9
75.00751	35.5
76.56882	0.5
79.95627	1.2
80.96388	2.3
82.95964	0.8
83.01266	1.7
85.02822	8.9
87.00747	3.3
89.02322	15.7
91.64585	0.6
93.03307	0.7
95.01274	1.8
96.95899	20.1
97.02820	0.7
98.20546	1.4
99.00792	2.8
99.04385	1.6
101.02325	8.2
107.01292	0.7
109.02869	0.6
110.03185	0.5
113.02338	11.7
115.00252	1.4
117.01828	2.9
117.46484	0.5
119.03398	3.3
121.02895	0.6
125.02352	1.3
128.03439	0.7
131.03419	0.9
135.02899	100.0
136.03268	2.3
137.02354	1.5
143.03432	1.0
151.00285	2.8
161.04538	1.4
161.13257	3.5
162.01961	0.7
163.00333	0.7
165.01854	0.6
168.14211	0.5
175.02390	1.4
177.01801	1.0
178.99776	1.5
179.03360	0.8
179.05539	3.0
187.11234	1.2
193.01399	0.8
205.12300	8.1
247.03795	0.6
249.06134	1.2
249.11259	5.3
255.02916	1.3
267.07364	1.2
271.02560	2.3
299.02115	0.9
300.02750	3.5
301.03488	1.7
306.07568	0.6
316.02295	0.7
317.02972	0.8
356.04382	0.8
367.14117	2.6
385.13617	0.9
385.18594	1.4
429.18048	2.8
433.07443	0.9
529.18976	1.3
547.21552	23.4
548.20825	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	547.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15828	0.9
52.98539	0.8
55.01763	1.1
55.94382	0.8
57.03315	1.0
59.01252	38.1
65.73644	1.0
67.27759	1.0
69.48213	2.5
69.48625	5.7
71.00893	1.7
71.01258	23.3
72.99176	5.5
73.02814	2.1
75.00749	35.1
78.89283	1.1
83.01245	2.4
84.94385	0.9
85.02820	5.0
87.00761	1.3
89.02323	25.7
89.02839	2.0
96.95872	1.1
98.19889	1.9
99.00725	1.1
99.04408	1.8
101.02328	10.3
107.01267	1.1
108.02085	1.6
109.02835	2.3
111.04413	2.1
113.02322	8.2
117.01830	2.8
119.03415	6.7
119.04905	8.9
121.02842	1.2
125.02319	1.2
128.03462	1.3
131.03381	1.5
132.02074	1.3
133.02795	1.5
134.03635	1.7
135.02896	100.0
135.04340	4.6
136.03244	2.7
143.03448	1.9
143.04515	2.0
145.02884	2.0
151.00255	1.8
152.01019	2.1
153.01811	1.8
160.01596	4.0
161.02299	1.7
161.04477	2.1
161.13268	8.8
163.03970	5.7
175.03905	4.2
177.03346	1.2
178.99767	1.8
179.03395	3.5
179.05508	3.9
187.11177	3.1
190.99829	1.8
193.05075	1.3
194.05815	1.6
205.12280	24.6
206.02180	1.7
206.12575	1.3
209.07935	1.8
221.04448	2.2
223.96271	1.0
249.11298	27.1
250.11609	2.1
271.02594	1.6
285.03821	1.6
300.02655	1.2
306.07736	1.4
337.09146	5.2
353.06586	4.3
367.13934	13.2
368.14157	1.2
369.13470	3.6
429.17551	14.0
430.17996	1.3
529.13513	3.9
534.47327	1.1
547.20343	42.8
548.20758	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	547.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43507	1.7
56.88642	1.6
57.03320	1.8
58.00476	2.3
59.01252	54.3
69.52835	15.0
71.01249	32.2
72.99187	7.0
73.02821	3.8
75.00748	41.2
76.21680	1.6
79.95612	2.3
80.96394	2.0
81.06971	1.6
81.95196	1.9
83.01263	4.0
85.02826	8.4
87.00764	4.9
88.38654	1.6
89.02324	34.2
95.01285	2.3
96.95895	70.3
97.95851	3.7
98.20529	3.1
98.95478	66.2
98.96297	10.0
99.00768	4.1
99.01913	4.9
99.04411	3.6
99.92467	5.3
101.02325	13.4
106.86962	1.6
107.73821	1.7
113.02356	14.2
115.00294	3.5
115.91964	2.4
119.03393	12.9
125.02345	1.8
125.56213	1.8
131.03439	2.7
135.02893	100.0
139.00233	2.6
143.03452	2.2
151.00276	4.7
161.04512	1.7
161.13271	16.3
175.02478	3.8
179.05588	8.8
187.11229	2.9
194.00778	2.0
205.12300	30.2
206.12656	3.2
227.03526	1.9
243.02950	7.6
249.11317	54.1
250.11644	3.9
255.02982	11.8
256.03381	2.2
270.01630	2.1
271.02490	19.1
272.02832	2.4
298.01251	3.5
299.01904	17.9
300.02731	30.1
301.03360	7.4
302.03320	2.3
304.10571	1.7
325.95163	3.7
326.00562	3.7
327.01266	3.4
353.94711	7.9
354.95490	13.5
355.95901	2.0
363.34125	1.8
367.13983	10.0
381.94199	4.7
382.95026	14.7
383.95419	3.5
429.17575	27.9
430.18198	2.6
505.09872	2.2
519.07642	2.0
547.02100	32.8
547.11304	6.1
547.19519	37.0
548.02020	8.3
548.21332	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.7
58.02841	5.3
59.01254	16.1
60.37828	0.9
61.98659	1.1
71.01253	10.3
71.58131	1.7
71.58490	1.2
72.99182	3.4
73.02829	2.9
74.02340	10.8
75.00751	5.7
79.85469	1.0
83.01252	5.8
85.02811	9.7
87.00744	4.3
89.02325	5.1
93.03364	1.6
95.01271	1.5
97.02840	4.4
99.00746	3.5
99.05534	5.1
101.02333	4.4
103.00281	1.8
108.02093	1.3
109.02841	13.8
113.02347	9.5
115.00281	1.4
117.03308	1.4
119.03517	1.0
119.04923	11.2
121.02837	3.9
121.03708	1.1
122.03648	1.7
123.04401	13.4
125.02347	3.8
131.03438	1.6
131.04517	1.6
133.02863	1.5
134.03639	4.3
135.04420	86.3
136.04739	3.5
137.02325	3.6
139.03915	1.9
143.04521	20.2
145.02866	2.4
146.03584	1.7
147.04404	1.1
149.02335	8.0
149.05861	1.3
150.02988	1.2
151.00258	1.4
151.03905	8.1
152.01047	2.0
159.04468	1.8
160.05205	2.2
161.02405	7.0
161.05977	2.9
161.09657	2.3
162.03026	1.2
163.00264	1.1
163.03923	9.9
164.04652	2.2
165.01894	2.7
165.05489	1.5
167.03415	2.2
175.00250	1.0
175.02434	1.4
175.03917	2.7
175.07559	1.5
176.01128	1.6
177.03320	36.7
177.05516	2.4
179.03429	54.4
180.03802	2.9
185.89633	1.0
187.03891	2.0
187.70370	1.0
188.04794	2.1
189.01794	1.6
189.05521	1.7
190.02611	7.2
190.99863	1.6
191.03517	1.3
193.01794	1.0
193.03459	6.7
193.05032	2.1
203.03441	1.9
203.07091	7.2
205.04994	15.5
205.08667	4.1
206.02121	1.7
206.05516	1.2
207.10248	4.1
209.04480	3.1
209.11790	1.2
215.10582	1.0
217.08669	17.7
218.08990	1.7
219.10150	2.2
221.04440	2.7
223.06125	2.3
227.03619	1.1
231.06570	1.4
234.39595	1.1
235.04509	1.9
239.05588	1.6
245.08179	3.1
246.08749	1.2
247.06097	3.7
255.02815	1.1
256.62289	1.0
259.09546	2.2
265.10739	1.6
271.02493	1.2
283.13251	1.7
289.07190	2.6
290.58356	1.1
295.89246	1.0
297.09836	1.0
299.02094	1.3
300.02560	1.8
301.03314	1.3
301.14319	1.3
307.11713	5.2
323.07709	3.4
325.14453	4.9
329.13705	1.3
337.07767	4.4
337.12927	4.5
341.08707	8.0
345.95505	1.2
351.12814	1.2
353.06290	1.4
355.08755	2.8
367.10242	13.7
367.14139	1.9
369.13406	100.0
370.13785	12.2
395.12881	1.5
487.29449	1.8
503.15515	2.4
529.13324	2.4
547.14807	2.0
547.23694	17.0
548.24310	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49728	1.1
57.03322	2.3
58.02841	4.4
59.01252	15.1
69.03337	1.4
69.62508	2.0
69.62911	6.1
71.01261	12.7
72.61654	0.8
72.99194	2.7
73.02836	2.6
74.02350	11.3
75.00754	9.0
81.03303	1.1
83.01265	6.3
85.02831	11.7
87.00764	3.5
88.03912	5.5
88.98692	3.4
89.02312	3.6
93.03362	2.0
95.01270	2.2
95.04892	1.8
96.95894	2.1
97.02843	5.2
99.00771	4.1
99.05525	5.4
101.02336	4.2
107.01325	1.2
108.02053	2.4
109.02835	19.4
111.00811	1.0
113.02341	11.5
119.03381	1.4
119.04955	2.4
121.02837	2.5
121.06513	2.5
122.03647	1.4
123.00790	0.9
123.04424	14.7
125.02342	5.3
131.03479	1.2
131.04524	1.5
133.02940	1.4
135.04431	4.2
137.02347	5.2
139.03889	1.5
139.11206	1.9
143.04538	19.3
145.02853	1.7
146.03592	2.0
147.04497	1.1
147.08083	1.4
148.05251	1.4
149.02374	6.3
151.00308	2.8
151.03882	6.3
152.01151	1.8
159.04446	3.4
161.02400	5.0
161.04565	1.2
161.06006	4.9
161.09615	1.3
162.03059	2.2
163.03949	3.9
163.07501	1.2
165.05559	1.2
165.99007	1.0
172.05424	1.3
175.02542	1.2
175.03931	2.7
175.07602	2.0
176.01048	0.9
177.03319	35.5
178.99794	2.6
179.05646	1.1
179.07109	1.4
185.05896	1.5
187.03944	1.1
188.04755	2.3
189.01945	1.0
193.03380	1.9
201.05511	1.4
203.03543	1.1
203.07085	5.5
205.01358	1.0
205.05063	8.6
205.08632	6.4
207.10165	3.6
209.15553	1.0
217.08647	16.9
217.39719	1.0
225.05318	1.0
227.03488	1.1
230.06030	1.1
231.02965	1.3
245.08203	4.6
246.08678	1.5
247.06062	5.1
247.09750	1.3
255.02841	1.2
259.09714	3.3
269.04651	5.9
271.02505	3.0
283.13464	1.8
287.05591	1.8
289.07150	10.3
299.01874	2.0
300.02826	4.4
301.03571	3.5
301.14517	1.5
303.97723	1.2
323.09326	2.0
325.14362	5.4
353.06671	2.7
367.11752	4.0
369.13419	100.0
370.13788	12.4
372.20218	1.0
383.11520	1.2
384.12103	1.1
385.13013	3.2
503.24704	1.4
517.25604	1.0
529.13354	2.5
547.23938	29.5
548.23950	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	547.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03300	1.9
59.01249	16.0
69.03329	0.6
69.23331	7.0
71.01254	24.8
72.99183	3.7
73.02812	3.0
75.00747	8.8
80.96371	0.7
83.01241	2.3
84.71953	0.7
85.02826	11.0
85.73120	0.7
85.99944	0.6
87.00751	28.9
88.01087	0.7
89.02312	3.5
95.01242	1.0
96.95874	1.3
99.00760	2.7
100.82819	0.7
101.02293	3.2
111.00783	1.3
112.98734	0.8
113.02332	11.0
115.00259	50.1
116.00571	1.2
119.03394	1.3
127.00272	1.4
131.03407	1.4
136.18874	0.6
139.00253	3.2
157.01329	4.9
173.04471	1.3
175.02399	100.0
176.02740	2.8
189.67134	0.6
191.05574	1.2
193.03455	2.1
215.05522	0.8
235.04552	0.7
267.11411	0.8
295.10818	0.8
297.12704	0.7
325.12085	0.6
327.13400	0.8
353.11603	0.7
371.12579	1.9
397.10403	0.7
429.12726	1.1
485.15552	0.9
546.23108	1.0
547.24060	32.6
548.24188	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1667
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
57.03310	1.8
57.78177	0.7
58.00455	1.2
59.01251	18.7
69.03316	1.2
71.01253	22.5
71.57642	1.2
72.99175	2.4
73.02824	3.0
75.00739	2.6
78.95792	0.9
80.81268	0.6
83.01260	2.6
85.02830	7.4
86.36082	0.7
87.00758	9.5
89.02314	16.9
91.01780	1.2
93.03308	1.3
95.01270	1.8
96.95898	6.8
97.02847	1.3
99.00758	2.9
101.02322	12.2
111.00772	0.8
113.02320	12.3
115.00260	2.7
115.61322	0.6
119.01276	4.1
119.03389	3.2
119.04895	0.8
121.02844	7.5
125.02296	1.8
129.01849	1.2
131.03377	1.2
132.01976	0.9
134.03648	0.9
135.04411	2.2
137.02319	1.0
143.03407	2.5
145.01160	0.7
147.00790	2.0
147.04433	2.7
149.02345	42.9
150.02800	1.3
152.01022	2.0
153.09116	1.1
157.01323	1.1
161.00862	0.7
161.02324	0.8
161.04506	3.9
161.05699	0.7
163.03960	4.2
164.04704	42.6
165.01883	2.2
165.05203	2.6
167.03368	1.8
169.05058	0.9
173.04521	1.5
175.00293	32.2
175.02431	3.9
176.00653	0.9
177.05611	0.8
179.05524	3.4
179.07079	6.3
181.08644	0.8
182.95680	0.6
186.35953	0.7
189.01859	1.4
190.02644	87.4
191.03259	5.1
191.05458	1.0
193.01396	2.3
193.03436	1.7
193.05048	0.7
205.05003	100.0
205.12317	1.7
206.05592	7.9
207.02943	2.0
208.03749	7.1
209.04422	2.2
221.08136	8.4
222.05154	0.7
223.06068	77.9
224.06393	3.9
237.07581	2.5
246.53004	0.6
247.06145	1.2
250.04805	2.3
265.07153	27.7
266.07574	1.4
295.08200	7.7
307.08478	0.8
323.09848	2.3
325.09277	9.5
341.10931	1.9
367.10330	5.8
385.11584	3.8
385.18753	1.5
547.16711	50.7
547.23859	3.7
548.17151	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	545.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29887	0.9
58.00463	2.7
59.01252	27.0
66.16209	1.1
71.01250	6.8
72.99192	2.9
89.02322	24.7
89.78293	1.1
91.03884	81.2
92.04224	2.2
92.26542	1.0
93.31585	1.0
93.97320	1.1
98.19759	2.3
135.02893	1.2
335.33182	100.0
336.33542	13.4
343.40128	1.3
378.44977	1.2
379.32172	59.7
380.32559	8.2
389.35590	1.1
393.74356	1.1
397.33215	56.3
398.33673	6.4
453.35907	30.3
454.36243	5.5
471.36917	51.2
471.42047	1.1
472.37067	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	545.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.3
59.01254	29.1
66.18462	1.0
71.01252	7.9
72.99195	3.0
73.21578	1.1
78.17684	1.3
80.38604	1.2
89.02325	20.5
91.03890	71.5
103.09320	1.2
110.34302	1.2
127.53973	1.1
137.53108	1.3
191.72485	1.1
199.16455	1.1
307.30182	1.6
333.31604	1.4
335.33224	100.0
336.33588	11.7
379.32178	52.4
380.32492	7.1
397.33218	48.8
398.33392	7.3
453.35892	28.9
454.36478	4.6
471.36911	48.4
472.37134	8.2
496.76477	1.3
569.88806	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1095
Annotation	Quercetin 3-(3'',6''-diacetylgalactoside)
Peak:m/z	Relative Intensity
50.57153	0.2
52.88711	0.2
57.03325	0.4
59.01252	5.9
63.02267	0.8
65.00201	1.5
69.03333	0.5
69.24590	0.5
69.24996	2.2
71.01254	4.2
72.99183	0.9
73.02815	0.8
83.01260	1.5
84.07020	0.2
85.02818	3.5
85.20435	0.2
87.00767	1.2
89.02325	2.2
91.01768	0.5
93.03342	1.1
95.01286	0.7
95.49110	0.2
96.95889	2.8
98.95473	1.8
98.96310	0.4
99.00764	0.9
99.04398	0.3
101.02312	2.1
107.01276	3.2
108.02064	1.9
109.02834	1.8
111.00780	0.4
113.02323	3.5
115.00259	0.5
117.01847	0.3
119.01276	0.4
119.03395	0.8
119.04885	0.4
121.02840	1.9
123.00743	0.3
124.01533	0.4
125.02332	0.7
131.03410	0.3
135.00780	1.0
135.02870	2.0
137.02316	1.7
148.01559	1.6
149.02345	0.5
151.00281	10.4
151.03992	0.3
152.00932	0.6
153.01799	0.4
157.02692	0.2
159.04427	0.5
161.02351	0.5
161.04475	0.5
161.05893	0.2
163.00279	2.3
163.03845	0.5
164.01004	0.9
165.01904	0.4
169.01387	1.2
171.04372	0.3
173.04527	0.3
174.03137	0.3
175.02480	0.5
175.03932	0.3
177.03311	0.3
178.99773	5.2
179.05377	0.3
180.00226	0.3
181.12279	0.4
183.04478	0.7
187.03879	0.8
192.00484	0.3
198.03094	0.2
199.03889	1.6
201.01883	0.5
201.05537	0.3
203.03427	0.6
205.12357	0.7
211.03893	1.7
215.03406	1.0
216.04137	0.6
226.02699	1.3
227.03450	3.8
227.05486	0.4
229.01376	0.4
229.05026	0.6
239.03375	0.4
242.01880	0.4
243.02977	11.3
244.03429	0.9
245.04503	1.3
249.06258	0.3
249.11281	1.7
251.12833	0.3
254.02216	2.4
255.02965	27.1
256.03369	2.2
257.04565	0.3
271.02472	55.5
271.99905	0.3
272.02878	5.9
273.04016	1.0
283.02420	1.1
284.03296	0.4
287.01791	0.2
294.80115	0.2
299.01999	3.7
300.02744	100.0
301.03455	48.6
302.03882	3.8
353.06610	0.4
354.95709	0.3
369.13129	0.5
382.95203	0.4
429.17596	0.8
431.19406	0.4
445.07898	0.4
487.08817	4.4
488.09076	0.4
505.09885	6.4
506.10226	0.8
517.18744	0.3
528.37341	0.3
529.12384	0.3
547.10901	38.6
547.23480	9.5
548.11255	6.1
548.20172	0.3
548.24329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	1.0
57.03320	3.9
57.26425	0.9
59.01255	18.5
61.98704	1.1
65.02476	1.0
70.34978	3.9
71.01263	21.0
72.99191	5.3
73.02827	2.4
75.00356	1.7
75.00754	17.1
78.95772	3.5
80.29722	1.0
81.62221	1.0
83.01281	1.0
85.02831	25.9
87.00764	8.8
89.02322	5.7
91.03871	1.5
95.01271	5.1
99.00763	12.6
103.00240	3.1
113.02338	32.4
113.09617	2.4
117.01810	2.4
129.01854	1.0
144.30809	1.1
152.99478	2.1
157.01292	1.2
157.45872	1.1
159.55324	1.0
175.02385	3.3
195.13866	13.8
205.07037	1.4
215.12691	1.2
249.06129	11.0
267.07300	7.9
277.21722	11.3
291.19662	1.4
295.22824	45.4
296.23056	3.5
309.20706	3.6
348.15210	1.0
502.00461	1.1
508.81302	1.1
527.28857	2.3
545.29694	100.0
546.30054	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58725	0.4
52.16480	0.4
55.01756	0.5
55.93699	0.4
57.03317	0.8
58.00456	0.5
58.49440	0.4
58.55897	0.4
59.01257	11.2
60.41311	0.4
71.01260	7.1
73.02812	1.4
77.10705	0.4
85.02843	2.2
87.00764	1.1
89.02319	6.9
97.06483	1.7
98.20577	0.7
98.30744	0.4
99.00732	0.5
101.02327	7.0
113.02348	3.9
113.09589	1.3
115.07515	0.7
119.03383	1.9
125.02383	0.5
125.06081	0.4
139.11162	0.5
141.09119	1.0
143.03403	1.0
153.80069	0.4
159.90373	0.4
161.04446	2.9
165.12767	3.0
167.10670	1.0
167.14302	1.4
178.42522	0.6
179.05574	1.1
179.14249	0.5
181.12347	2.1
183.13791	0.7
193.12241	1.5
193.16005	0.5
195.13847	2.1
199.98557	0.4
209.12050	0.5
211.13341	2.4
213.14941	0.9
217.15895	0.6
221.15381	2.3
231.17523	0.5
241.14088	0.5
247.20695	2.8
253.09291	26.5
254.09650	1.1
263.20178	0.7
265.21860	0.7
273.18610	1.9
281.21140	1.0
291.19693	29.7
292.20001	2.5
309.20728	100.0
310.21082	9.0
311.22427	0.5
358.28101	0.5
545.29657	8.7
546.30066	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	545.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.2
58.00462	1.3
59.01252	23.0
61.98689	1.0
65.00190	0.6
69.03326	3.4
71.01261	11.6
71.04911	1.5
72.99184	1.2
73.02824	2.4
79.90529	0.6
81.03351	0.9
83.01274	1.5
83.04898	1.8
85.02827	5.8
87.00754	1.9
87.23947	0.6
89.02318	10.6
93.03320	0.8
95.01276	1.3
97.02829	20.7
97.06474	0.8
99.00736	2.1
100.01230	0.6
101.02332	11.8
107.88649	0.6
109.02866	1.5
109.06464	2.1
111.04402	1.0
111.08052	2.0
113.02342	7.0
119.03433	3.0
119.08556	1.1
121.02833	1.1
123.04424	0.7
125.02316	1.0
125.09624	1.9
131.03267	0.7
137.09624	6.6
143.03387	1.7
151.00294	4.1
161.02165	0.6
161.04446	5.6
163.00250	0.8
165.01796	1.0
167.10725	0.7
171.10187	11.6
172.10510	1.0
178.99744	1.9
179.05557	2.0
181.12257	1.0
181.80083	0.6
183.10165	0.7
183.13843	2.7
184.13849	0.6
185.11920	0.6
195.13861	6.9
197.11760	2.5
205.12247	0.6
207.10254	0.6
209.11827	1.5
209.15402	1.4
211.03970	1.2
211.13361	3.7
221.11778	1.5
221.15515	3.1
223.13380	1.9
225.11246	1.0
227.03442	1.0
229.76753	1.0
233.15445	2.0
239.12827	1.5
239.16451	1.1
243.02892	3.6
247.20529	1.2
251.16551	2.0
253.09297	42.3
254.09700	1.6
255.03008	7.3
271.02469	14.9
272.02740	0.9
273.18567	1.8
283.02621	0.8
289.18063	0.9
291.19711	21.1
292.20001	2.4
299.01855	1.8
300.02753	23.7
301.03503	19.1
302.03888	2.2
309.20731	100.0
310.21039	8.9
447.09363	17.9
448.09558	3.0
503.32166	0.8
527.27887	1.2
545.16028	2.6
545.30243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25865	0.5
55.01756	0.9
57.03321	1.4
58.00473	0.7
59.01255	13.9
69.03328	1.7
69.28187	6.1
71.01257	9.8
73.02832	1.8
81.03316	0.6
81.61646	0.5
83.01248	1.2
83.04902	1.1
85.02819	2.8
87.00754	1.8
87.55584	0.5
89.02329	9.2
91.03892	0.6
95.01273	0.6
95.04920	0.7
97.02842	8.2
97.06487	1.3
101.02328	10.1
111.08060	3.5
113.02341	5.4
113.09597	0.7
119.03389	1.8
119.08599	0.7
123.08102	0.8
125.05990	0.6
125.09614	1.4
135.08043	0.7
137.09607	1.7
139.11172	0.6
141.09161	0.7
143.03392	1.0
160.15022	0.6
161.04480	3.8
163.11189	1.5
165.09091	0.6
165.12784	5.8
167.14360	0.9
169.12267	1.4
171.10210	4.8
173.84264	0.5
177.12697	0.5
179.05411	1.0
181.12202	2.8
183.13823	1.4
193.12250	1.9
193.15945	0.7
195.13863	0.6
197.11768	15.2
198.12100	0.9
199.13326	1.0
207.10304	0.9
209.11826	1.7
209.51721	0.6
211.13364	3.7
213.14996	0.8
223.13278	0.7
226.11963	0.6
227.12924	3.6
247.20717	5.2
253.09285	33.3
254.09598	1.7
273.18607	2.2
291.19675	47.2
292.20056	5.1
309.20731	100.0
310.21051	10.1
359.82224	0.8
439.32025	0.6
545.16278	0.9
545.29401	3.0
546.29803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50038	0.4
52.90908	0.4
55.01752	0.5
57.03304	1.4
57.72478	0.4
58.00471	0.5
59.01254	12.9
60.06439	0.4
69.03334	2.3
69.27946	2.1
69.28378	2.9
71.01260	8.1
71.04867	0.5
73.02816	1.6
75.01208	0.4
81.03349	0.7
83.01264	1.2
83.04887	1.2
85.02835	2.1
87.00770	1.0
89.02323	7.6
95.01252	0.7
97.02254	0.7
97.02840	9.1
97.06477	0.9
98.20495	0.8
99.00791	0.6
101.02332	9.4
109.96881	0.4
111.08044	3.4
113.02346	4.5
114.02663	0.5
119.03393	2.0
119.08606	0.5
125.09623	1.7
127.07510	0.5
137.09619	2.8
143.03383	0.9
149.04475	0.7
153.12761	0.7
159.44446	0.4
161.04483	3.8
163.11198	2.1
165.12790	5.7
169.12262	0.5
171.10194	5.6
175.11395	0.6
179.05534	1.4
179.14326	1.1
181.12265	1.9
183.13843	1.3
185.11896	0.5
193.12302	1.1
193.15968	1.1
197.11789	12.5
197.98654	0.5
198.12073	0.5
199.13275	0.8
209.11836	2.7
211.13367	2.9
211.35057	0.5
223.13313	1.2
227.12877	5.0
247.20674	4.1
249.87509	0.5
253.09293	36.9
254.09642	2.6
263.20157	0.8
273.18634	1.5
291.19681	53.1
292.19968	4.8
309.20728	100.0
310.21085	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	545.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03331	4.8
58.00463	1.6
59.01256	27.7
68.99681	1.8
69.03331	1.8
71.01258	30.2
71.44855	1.1
72.99188	10.1
73.02822	4.6
75.00751	27.8
77.73694	0.6
78.75577	0.6
79.95597	0.9
80.96414	0.8
83.01266	5.7
85.02829	31.9
85.66792	0.6
87.00763	8.9
89.02323	9.0
93.03326	0.9
95.01291	3.8
96.95897	4.5
97.02843	3.3
99.00758	9.0
101.02332	7.4
103.00266	2.6
109.02840	1.7
111.00755	1.4
113.02336	30.3
114.02689	0.9
115.00259	2.5
117.01830	2.3
119.03378	1.3
125.02333	1.4
129.01846	1.8
131.03410	4.5
133.01297	0.8
149.04489	1.3
151.00253	1.8
157.01329	1.3
161.02322	0.7
161.04457	0.7
164.00995	0.6
173.04521	4.7
175.02499	5.8
175.03883	0.9
178.99803	0.9
191.05551	1.5
193.03481	25.8
194.03801	0.9
197.43303	0.7
205.08626	0.9
229.08661	0.7
235.04568	11.5
267.07272	1.1
271.02618	1.4
292.69449	0.8
299.01883	1.6
300.02750	1.4
301.03409	1.8
314.78442	0.6
337.07816	9.6
337.11661	1.2
353.06793	0.7
354.06885	0.7
355.08475	2.4
365.10379	3.9
412.07974	0.9
413.08353	0.7
545.22388	100.0
546.22650	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92863	0.6
55.01761	1.8
57.03325	5.6
58.00460	2.3
59.01252	27.4
61.98678	0.7
68.99693	1.7
69.03333	1.9
71.01257	33.1
72.99186	9.0
73.02811	2.7
75.00752	29.4
80.96407	1.6
82.96001	1.3
83.01248	5.1
85.02829	31.9
87.00758	9.2
89.02315	10.5
93.03313	0.8
95.01266	3.9
96.95896	8.8
97.02832	3.9
98.19756	1.3
99.00762	8.8
101.02334	8.1
102.60856	0.6
103.00253	2.3
109.02850	1.3
111.00761	1.5
113.02338	31.8
114.02646	1.1
115.00259	2.5
117.01799	2.1
119.03419	1.6
119.04929	4.8
125.02332	2.9
129.01823	1.7
131.03438	3.4
134.03615	1.3
137.02280	0.7
139.00299	1.0
145.02959	0.8
149.04530	0.8
151.00264	2.0
157.01271	2.1
163.03914	3.2
165.01881	0.8
173.04462	5.3
175.02422	4.8
175.03816	1.2
177.05479	2.4
178.99800	1.3
181.08548	1.1
187.09056	0.7
191.05542	0.9
193.03459	11.2
193.04979	1.0
199.09686	2.7
215.05476	0.7
229.75354	1.0
235.04590	7.3
236.24045	0.7
254.62708	0.7
271.02411	0.9
337.07626	4.5
355.08478	1.5
365.10269	0.9
369.06241	1.4
370.27579	0.7
397.91525	0.7
412.07748	0.9
413.08707	1.2
448.06448	0.7
502.55194	0.8
545.14465	4.8
545.22333	100.0
546.14709	1.5
546.22656	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	545.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.6
59.01254	3.0
63.96099	1.1
66.32113	0.5
69.03339	1.0
69.56379	0.4
69.87263	2.7
71.01255	8.1
72.99175	0.6
73.02813	2.5
75.00744	0.9
77.92139	0.4
78.98451	5.5
79.77692	0.4
79.95607	10.0
80.96392	61.0
81.03315	0.7
83.01266	0.8
85.02806	2.9
87.00753	2.8
89.02319	0.8
94.97962	15.2
96.00725	0.4
96.95902	1.2
97.02820	1.1
99.00766	0.9
101.02335	3.7
106.97963	3.3
113.02322	1.3
115.00201	0.5
122.97485	4.4
125.02345	4.2
126.10801	0.6
127.03892	1.4
134.97482	4.4
136.01605	0.6
136.99028	1.5
148.99057	5.6
149.05930	0.6
151.03877	1.8
152.98528	6.1
164.98558	12.1
182.99603	2.1
201.11266	3.5
204.04193	2.4
206.99661	3.6
209.11740	2.3
219.06586	2.1
225.00696	27.1
226.00969	1.0
243.01825	1.5
249.07663	3.5
299.04343	3.4
501.16458	15.1
502.16965	2.2
527.17914	2.8
545.19086	100.0
546.19427	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	545.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.3
57.03333	6.4
58.00459	1.7
59.00952	2.1
59.01254	42.9
64.84405	0.8
68.99671	1.8
69.03330	2.1
70.07155	5.5
71.01257	53.1
72.99184	20.6
73.02825	11.7
75.00748	40.0
78.95793	1.4
80.96395	3.5
83.01268	9.0
85.02827	51.4
87.00751	12.7
89.02319	15.2
95.01270	6.0
96.95902	1.5
97.02822	5.7
99.00753	13.0
101.02328	16.6
103.00267	7.1
109.02840	1.2
111.00755	1.4
113.02331	51.8
114.02718	1.7
115.00271	4.7
116.92763	2.9
117.01826	4.7
119.03457	2.0
129.01833	3.0
131.03403	8.4
133.01341	2.9
137.09642	1.9
149.04460	2.8
157.01280	1.7
161.04462	2.6
166.05009	1.8
173.04488	4.7
175.02406	11.2
191.05652	1.0
193.03479	64.5
194.03807	1.6
211.13272	1.6
225.00752	1.7
235.04552	29.2
236.05026	1.6
337.07788	27.5
338.08112	1.9
355.08804	8.3
527.18164	3.3
545.22473	100.0
546.22754	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	545.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81911	0.1
56.41577	0.1
59.01258	0.3
63.57388	0.1
65.00204	0.2
67.66106	0.1
79.95614	2.9
80.96419	0.2
87.00745	0.1
96.95894	100.0
97.95831	0.5
99.00814	0.1
107.01257	0.2
118.60307	0.1
123.00790	0.2
137.02327	0.2
149.02278	0.2
151.00276	0.6
163.00275	0.1
166.99857	0.2
178.99797	0.3
193.01189	0.1
194.99179	0.2
195.14835	0.1
229.86366	0.2
243.02994	0.2
255.03011	0.5
271.02411	1.0
300.02759	1.8
301.03433	1.4
302.03839	0.1
357.54007	0.1
447.09296	2.6
448.09506	0.3
545.11316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69434	1.0
55.01756	2.1
56.18502	0.9
57.03326	5.5
59.01253	48.6
61.98697	2.0
63.02281	1.2
65.00198	2.1
68.99677	1.0
69.03314	1.2
69.27696	5.2
69.28130	7.2
71.00850	1.1
71.01255	32.0
72.99187	4.3
73.02835	5.2
75.00749	32.8
83.01268	5.2
84.43845	1.1
85.02831	35.7
87.00747	10.4
89.02316	7.8
93.03333	1.7
95.01282	4.2
96.95909	1.7
97.02784	1.2
99.00751	10.8
101.02347	8.7
103.00281	2.1
104.57925	1.1
107.01291	3.7
108.02067	1.6
109.02855	8.8
113.02336	34.4
115.00253	4.2
116.92763	1.5
117.01843	1.9
119.03432	2.8
119.04939	2.2
121.02889	6.1
125.02374	2.5
131.03378	1.3
135.00903	1.1
137.05956	1.6
148.01549	1.6
149.02319	2.5
151.00288	17.9
153.01814	1.5
157.01288	1.6
159.04405	1.2
161.02371	1.6
161.04527	1.3
163.00243	5.1
163.03963	1.4
173.04497	2.6
175.00237	2.0
175.02412	2.9
175.03906	1.3
177.01891	1.8
178.99812	6.9
187.03967	1.5
189.01910	1.1
189.05402	1.0
190.99794	1.3
191.03334	1.2
199.03873	2.1
203.03540	1.3
205.01488	1.1
205.05005	8.2
209.11821	1.2
210.75946	1.1
211.03905	2.3
215.03516	1.7
217.04935	1.7
227.03537	4.8
229.05095	2.2
231.03294	1.1
233.04565	1.9
240.04372	1.4
243.02962	3.5
245.04495	4.5
253.04926	1.8
253.09186	1.2
255.02965	12.9
256.03784	3.7
270.01691	3.8
271.02484	41.7
272.02939	4.0
273.04059	2.1
277.06976	2.0
283.02460	7.2
284.03268	3.6
291.19720	1.5
297.04153	4.1
299.01990	49.0
300.02689	27.2
301.03531	72.4
302.03885	6.7
309.07693	2.3
309.20587	3.1
325.03809	1.5
325.07260	2.2
327.05121	1.9
327.08633	2.4
328.01913	1.0
354.07373	16.9
355.08206	21.6
356.08377	1.6
370.10532	2.3
398.10077	74.2
399.10785	45.9
399.15826	1.1
400.11264	3.3
413.08170	1.2
441.21326	3.2
447.09155	3.7
448.09500	1.4
485.31192	1.7
501.13989	7.0
545.16510	100.0
545.22766	57.3
546.15997	14.7
546.23083	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	543.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	2.5
58.00462	0.6
59.01255	15.7
61.98674	0.6
62.72477	0.5
67.01744	1.3
68.99683	1.4
69.03332	1.4
70.00134	2.7
71.01255	18.7
72.99188	6.4
73.02818	1.7
73.74991	0.5
75.00748	19.7
79.95586	1.1
83.01250	0.9
85.02830	20.1
86.03142	0.5
87.00751	6.9
87.18553	0.5
89.02322	4.3
93.03355	1.1
95.01263	4.4
95.20398	0.6
95.40780	0.4
96.70488	0.5
99.00765	10.5
101.02320	0.8
102.28210	0.5
103.00270	2.9
111.00727	0.9
111.08001	0.6
113.02339	25.3
114.02650	0.9
115.00256	2.2
117.01833	4.1
128.03383	0.9
129.01819	1.9
153.56075	0.5
157.01389	0.9
167.10750	0.8
169.12256	0.6
171.10127	0.6
174.01672	0.5
175.02415	4.4
179.14322	0.9
181.12303	0.8
189.03966	0.6
195.13844	6.5
196.14217	0.7
205.07039	1.1
209.11803	0.8
211.13326	1.1
223.13335	5.4
224.13744	0.7
228.13763	0.6
231.05034	1.9
241.21809	0.5
249.06157	18.6
250.06404	1.2
256.13177	0.7
265.21756	0.8
267.07281	3.8
275.20221	3.2
293.21246	37.0
294.21579	3.4
416.39801	0.5
474.21088	1.2
483.25681	1.1
520.25604	0.6
525.27209	3.8
543.28101	100.0
544.28400	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	543.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.1
59.01249	5.6
67.67901	0.9
69.03320	0.9
71.01257	5.5
71.57967	0.9
71.58407	1.2
71.77016	1.2
72.99184	1.0
75.00754	2.7
79.95610	2.3
80.96381	0.9
81.03361	1.2
83.01250	2.2
83.04900	5.7
85.02847	4.9
87.00763	2.2
89.02338	1.3
94.75754	1.0
95.01355	1.0
95.04905	1.4
97.06431	1.8
99.00743	3.2
111.08011	1.6
113.02341	7.9
113.09617	1.9
125.09626	2.1
127.64413	1.0
135.61954	1.0
160.49043	0.9
160.79964	0.9
163.11191	4.2
165.12762	15.8
169.12241	1.6
181.12297	2.0
183.13843	100.0
184.14159	5.9
207.10191	2.0
209.11786	71.0
210.12097	2.4
211.13405	3.7
225.11288	3.5
227.12865	20.4
249.06120	3.6
267.07370	1.5
271.02499	2.2
275.20184	1.2
281.74692	1.0
283.15466	1.3
293.21268	9.3
294.21429	1.4
299.02032	1.7
301.16678	6.8
307.19034	1.3
328.74133	1.1
388.06491	1.3
393.26636	1.4
410.10593	1.6
411.10593	1.2
493.28323	1.7
511.29187	21.7
512.29486	3.2
543.15924	1.3
543.27911	13.4
544.28571	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.7
58.00470	1.2
59.01255	18.2
61.98687	0.9
67.82351	0.6
69.03330	1.3
71.01264	11.3
71.04869	0.7
72.99161	1.4
73.02821	2.0
75.00743	1.7
79.95602	1.0
80.02546	0.7
80.96398	0.7
81.03342	2.0
83.01262	0.9
83.04878	1.2
85.02824	3.4
87.00755	2.1
89.02320	10.7
95.01274	1.0
95.04883	1.7
97.02829	2.6
97.06469	1.8
99.00754	1.7
101.02340	7.8
107.01237	0.5
108.02079	0.6
109.02852	1.9
109.06467	1.7
113.02326	4.7
119.03400	3.6
120.01136	0.9
121.06467	0.8
123.04391	2.6
123.08057	1.6
125.02345	1.7
125.09604	3.1
128.03442	2.9
135.08037	0.8
137.09604	2.3
141.12767	1.1
143.03395	1.0
143.04749	0.6
149.02350	1.7
149.05928	0.9
151.03831	0.8
151.11197	0.7
155.10693	1.5
158.03619	0.9
161.02376	1.5
161.04417	3.1
162.10439	0.7
163.03920	1.1
163.11226	6.3
165.12791	0.8
170.03722	0.6
171.07631	0.9
171.10114	1.7
176.08308	0.6
177.12857	0.8
178.99751	0.9
179.05571	1.2
179.10683	1.2
181.08496	0.8
181.12267	2.5
183.17780	0.7
185.11765	6.0
186.03163	2.1
189.01903	1.3
189.93391	0.6
191.14349	8.6
192.14784	0.7
196.19014	0.7
197.11789	4.0
198.03163	1.0
201.11206	1.4
207.10217	5.3
209.11743	2.0
214.02679	6.5
217.15909	1.7
225.11317	6.4
227.12976	0.6
232.43433	0.6
235.13315	0.7
241.01387	10.1
242.02179	13.5
243.02670	1.1
243.12413	1.3
245.00880	6.6
245.19104	15.9
246.19398	1.4
249.05766	0.9
251.05081	0.9
253.09283	26.7
254.09613	1.6
261.18616	0.6
262.87909	0.7
269.98935	1.3
270.01706	18.7
271.02460	6.0
271.17014	2.1
272.02631	0.8
289.18112	100.0
290.18420	9.9
298.01187	9.4
299.01910	5.2
300.02768	1.0
307.19159	39.1
308.19592	4.4
313.07095	1.3
317.16077	1.2
363.25592	1.4
385.30548	0.7
396.03384	1.1
396.08435	9.7
396.13528	0.7
397.09210	4.4
400.25174	0.7
446.08740	0.9
481.18585	1.8
483.28836	0.8
525.26971	2.8
543.15125	38.6
543.22382	1.8
543.31354	3.4
544.15503	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	543.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.3
59.01534	1.0
69.03348	0.6
71.01254	7.8
71.04900	1.7
71.37764	1.0
72.99205	0.5
73.02827	1.9
79.95618	1.3
81.03338	1.3
83.01276	0.9
83.04904	0.8
85.02818	2.3
87.00775	0.7
89.02324	4.5
95.01238	0.5
95.04896	1.3
97.02850	0.8
98.03619	0.5
99.00773	0.9
101.02331	7.1
103.28893	0.4
106.04137	0.5
107.04958	0.5
109.02868	0.8
109.06477	8.6
110.06860	0.6
111.04400	2.8
111.08041	1.0
112.05248	0.4
113.02348	3.5
119.03409	1.4
123.04394	1.0
123.08089	1.1
125.02357	0.8
127.07520	1.7
131.03374	0.5
133.06429	0.6
135.08063	0.7
137.09602	0.9
143.03419	0.5
143.10706	1.0
145.06502	1.7
149.02348	1.1
149.09625	1.2
151.00310	1.2
151.11247	0.9
159.08086	0.5
161.02333	1.1
161.04495	3.5
163.11104	0.6
167.10712	1.6
171.10179	1.0
177.12694	0.7
179.05534	0.9
179.10640	1.2
181.12227	0.8
186.03209	1.2
191.14319	0.8
195.13841	2.8
197.11778	0.9
207.08113	1.7
207.09941	0.5
209.11752	0.7
212.05185	0.5
212.43564	0.5
214.02603	2.9
215.14333	0.6
225.11333	0.7
227.03236	0.4
234.49692	0.4
235.13321	1.0
241.01404	3.9
242.02138	6.3
243.02682	0.6
245.00899	2.2
245.19064	4.6
251.16487	0.6
253.06686	1.0
253.09270	17.4
253.11882	0.9
254.09581	0.6
255.03061	0.7
270.01706	9.1
271.02362	2.7
271.17026	1.5
273.15112	0.6
287.16550	1.4
289.18097	100.0
290.18448	10.5
298.01138	4.4
299.01831	3.1
300.02499	0.6
307.19144	6.2
313.07047	0.6
396.08542	6.6
397.09219	3.6
481.18924	0.7
525.26978	1.7
543.15039	17.9
544.15533	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	543.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02267	0.4
55.01738	0.7
57.03328	2.8
58.00434	0.9
59.01251	20.7
61.98679	1.0
65.34562	0.4
67.01717	0.5
67.40886	0.4
67.64298	0.4
69.03323	1.0
70.87490	0.7
71.01258	14.5
72.99154	1.5
73.02824	2.3
75.00708	1.4
79.23303	0.4
79.95570	1.2
80.02526	0.7
80.96384	0.7
81.03341	2.5
83.01268	3.0
83.04869	1.5
84.06251	0.4
85.02826	4.7
87.00752	2.0
89.02322	10.9
93.03346	0.8
95.01238	1.6
95.04914	1.9
97.02812	2.9
97.05981	0.4
97.06472	5.5
99.00697	1.2
101.02327	13.9
101.14773	0.4
106.04120	0.9
109.02783	0.8
109.06432	1.1
110.03620	0.7
111.04392	1.0
111.07991	0.5
112.66017	0.3
112.98610	0.4
113.02336	6.9
119.03411	3.3
119.04865	0.8
119.08519	1.3
121.02834	0.5
121.06491	2.3
121.10023	0.5
123.04433	3.5
123.08011	1.9
125.02359	0.7
125.05933	1.2
125.08875	0.5
125.09623	5.3
128.17207	0.4
131.03406	0.6
135.07997	1.1
135.08974	0.4
137.05957	1.2
137.09663	3.0
139.07593	0.5
140.18388	0.4
141.12721	1.1
143.03374	1.5
149.04381	0.5
149.05949	0.6
149.09625	0.7
151.00169	0.5
151.11116	0.5
161.04463	6.8
163.07443	0.6
163.11208	7.9
164.11568	0.8
165.09038	0.9
165.12743	2.6
167.10666	1.0
171.10245	1.1
174.01622	5.1
175.11142	1.0
177.12766	0.9
179.05493	1.8
179.10658	1.0
181.12280	1.6
183.13753	0.8
185.11760	7.3
189.12843	0.5
191.10654	0.7
191.12747	0.7
191.14368	10.5
192.14713	0.9
193.12189	0.7
197.11754	0.6
207.10234	4.5
208.10587	0.6
209.11780	18.4
210.12100	1.4
211.13326	2.9
217.15918	1.3
225.11311	3.8
227.12837	0.5
235.08124	1.2
237.11307	14.2
238.11688	1.1
243.17545	0.6
245.19080	18.4
246.19354	2.2
249.05920	0.5
253.09271	39.5
254.09541	1.9
261.18463	0.6
263.20187	6.1
264.20575	1.0
271.16989	2.8
272.17401	0.5
281.21259	2.1
289.18097	95.7
290.18436	8.5
291.19611	0.6
293.20975	0.8
300.02905	0.7
307.19156	100.0
308.19513	9.7
325.20313	0.6
395.07330	0.6
396.07806	1.6
397.08633	1.4
407.11435	0.5
525.27063	1.2
543.14899	1.2
543.27216	7.1
544.27710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.9
57.03320	5.8
59.01255	22.8
68.60811	1.1
69.03333	1.9
69.87006	6.5
71.01262	29.0
72.99192	7.3
73.02812	2.6
73.49224	1.1
75.00751	24.5
78.95764	1.6
79.95619	3.1
80.96397	1.8
81.03342	1.7
83.01240	2.1
83.04898	2.1
85.02834	30.2
87.00759	10.6
89.02319	7.6
95.01260	7.2
97.06470	1.5
99.00769	14.8
101.02317	1.7
103.00242	4.5
103.03883	1.1
108.61209	0.9
111.08041	1.3
113.02337	42.5
113.09605	4.5
114.02677	1.1
115.00285	2.5
117.01805	3.3
119.04975	1.4
121.10123	2.0
125.09644	1.1
129.01842	2.7
131.03430	1.6
139.00273	1.0
145.02911	5.5
157.01300	2.3
163.03952	1.4
163.11205	3.0
165.12799	13.9
171.10176	6.9
175.02402	5.5
183.13850	53.0
184.14197	2.9
195.13861	1.8
205.07132	3.9
205.65919	1.2
207.10306	1.0
209.11789	42.2
209.13794	2.5
210.12128	2.3
211.13339	2.6
223.08202	2.0
227.12822	14.6
228.13249	1.2
231.04968	1.2
249.06094	13.6
250.06526	1.2
267.07184	10.3
275.20096	7.2
293.21231	43.2
294.21600	4.1
301.16614	7.1
415.24680	1.3
507.29700	6.5
511.29160	13.4
512.29187	2.6
525.27051	3.3
543.28125	100.0
544.28375	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	543.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	5.2
59.01254	23.7
67.01746	0.9
68.99722	0.9
69.03326	1.7
70.01271	0.7
71.01254	30.5
71.04900	2.6
71.49620	1.3
72.99185	8.3
73.02821	2.4
75.00747	26.1
79.95601	3.8
80.96391	2.4
83.01267	2.0
83.04891	0.9
85.02824	32.4
87.00758	11.3
89.02324	7.7
91.03889	0.8
95.01272	8.5
99.00153	1.4
99.00755	14.6
101.02326	2.2
103.00249	5.8
111.00745	2.0
113.02328	41.9
113.58613	0.8
114.02637	1.4
115.00269	3.1
117.01812	2.7
117.03373	0.8
119.60689	0.9
126.96696	0.8
129.01830	2.7
131.03423	1.2
139.00316	0.8
145.02838	3.7
157.01398	2.0
160.97107	0.8
161.04500	0.7
161.38838	0.7
163.11317	0.8
168.52261	0.8
174.08420	0.8
175.02399	4.9
181.12311	1.2
183.13783	0.8
185.90932	0.7
193.03458	0.9
199.13379	0.9
205.07138	4.5
207.10115	1.7
209.11819	1.4
209.15417	0.9
211.13290	4.0
223.08249	1.2
223.16917	2.4
225.11339	3.0
231.05124	1.2
231.20961	1.0
235.17017	11.7
236.17493	1.3
243.12344	1.3
249.06129	11.0
267.07224	11.9
275.20157	10.9
276.20523	1.1
293.21222	33.1
294.21573	3.1
295.22815	1.3
307.18988	0.9
317.15970	1.4
499.28906	2.8
507.29770	3.5
511.29282	3.9
525.26807	2.2
543.28082	100.0
544.28387	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	543.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46759	0.4
57.03326	0.6
59.01250	10.3
59.73636	0.4
60.01601	0.4
61.98701	0.6
63.96106	0.8
68.26905	0.4
68.29771	0.4
69.03342	1.2
71.01254	10.6
72.99197	1.0
73.02808	2.9
75.00745	1.2
78.95776	0.9
78.98470	6.4
79.95609	9.5
80.96394	61.5
81.03329	0.9
83.01259	1.1
85.02827	3.9
87.00752	3.4
89.02314	2.2
93.03336	0.8
94.97969	14.6
94.98581	0.9
95.01283	0.5
96.95889	2.9
97.02837	1.9
98.19842	1.2
99.00753	2.1
101.02322	4.1
106.97972	3.3
107.01294	0.7
113.02342	1.7
119.04909	0.6
122.97475	5.1
123.00724	0.5
123.04408	0.5
125.02350	3.8
127.03931	0.8
128.03377	0.5
134.97487	4.3
136.99040	1.3
143.03438	0.5
145.02937	0.5
148.99052	6.6
151.00270	1.2
152.98528	6.1
161.02345	0.9
161.04442	1.1
164.98553	10.2
167.00098	0.6
173.04556	0.9
175.02487	0.5
178.99837	1.2
181.08630	1.3
182.99564	2.1
183.13803	0.7
199.09811	0.5
206.99683	2.3
209.11821	0.5
211.13341	5.2
212.13768	0.6
225.00690	18.1
226.00920	0.5
240.04326	0.6
243.01843	1.2
255.03110	0.6
268.30038	0.5
268.33109	0.5
277.12305	0.4
283.02689	0.6
287.09772	0.5
299.04434	2.8
329.11353	0.6
353.06625	3.4
381.59232	0.5
511.18820	1.4
543.21234	100.0
544.21588	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	543.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.9
57.03322	2.4
59.01255	7.9
60.21308	0.6
71.01257	12.9
72.99165	3.8
73.02839	1.0
75.00745	20.9
80.96397	1.3
83.01270	1.5
83.04893	1.3
84.02058	0.7
85.02825	14.6
87.00761	5.6
89.02327	2.0
93.03330	0.6
95.01257	1.6
96.95880	0.9
97.02846	0.8
98.20560	1.7
99.00756	8.2
101.02337	1.8
109.02848	1.3
111.00766	1.1
113.02332	12.2
115.00271	2.1
117.01820	1.1
121.02847	100.0
122.03200	3.2
129.01785	0.6
139.00291	1.4
147.83574	0.6
157.01320	1.6
173.04411	1.4
175.02348	1.8
175.03737	0.7
191.05525	0.7
193.03600	0.6
195.08615	0.5
200.95828	0.6
277.99994	0.6
403.12085	1.6
421.13467	7.5
422.13696	0.9
521.32990	0.6
543.17108	43.1
544.17438	7.2
555.70746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88366	0.6
57.03327	2.9
59.00982	1.1
59.01258	10.9
61.09381	0.6
61.98698	2.3
63.02274	8.0
63.96142	0.7
65.00198	7.1
69.02683	0.6
70.57056	0.6
71.01253	8.3
71.76439	0.6
72.99191	0.9
73.02837	1.8
75.00743	1.9
77.19150	0.6
78.98467	1.6
79.95618	2.6
80.65338	0.6
80.96395	18.3
83.01261	7.5
83.04889	0.8
85.02818	4.1
86.48556	0.6
87.00745	2.2
89.02306	2.2
93.03344	1.8
94.97974	4.4
95.01270	2.3
97.02849	0.6
99.00745	1.9
100.68796	0.7
101.02332	2.2
107.01266	16.1
107.01958	1.1
109.02811	1.9
113.02348	4.0
119.03383	0.8
121.02850	0.8
124.01530	4.9
125.02342	11.6
126.61181	0.6
134.03662	0.9
134.97444	1.0
135.04404	0.7
137.02330	1.6
140.24512	0.6
145.02811	1.0
148.99031	1.5
149.02374	2.6
151.00281	60.4
152.01091	11.5
152.98506	1.5
153.01837	4.8
158.03543	0.7
161.02377	0.7
161.04530	0.6
163.00310	0.9
163.07678	0.7
164.04684	1.8
164.98592	3.4
169.01350	12.9
173.04494	4.3
173.06050	2.8
173.34438	0.6
175.03932	1.9
175.43845	0.7
177.01889	1.5
178.99792	100.0
179.54575	0.6
180.00160	4.0
181.01369	1.2
182.03644	0.7
182.99803	0.8
187.03888	1.0
187.07596	1.6
187.66600	0.6
188.04720	1.1
189.05432	2.2
191.05519	1.5
194.09584	0.6
197.06053	1.0
199.07564	2.1
200.04709	2.4
201.05432	1.1
211.13335	1.6
212.04681	1.0
213.01965	0.8
214.02661	0.6
215.07106	19.5
216.07602	2.5
217.08614	3.4
223.06122	4.9
225.00743	2.8
225.05597	1.4
227.07100	2.6
229.69208	0.9
232.03799	1.1
241.05072	0.6
242.05827	0.8
243.06602	2.5
253.04971	3.2
254.05841	0.7
255.02966	1.5
267.06995	0.9
271.02679	1.7
271.06143	7.6
288.58835	0.7
293.04660	0.8
293.08112	1.2
300.02765	4.8
311.01968	1.7
325.07144	2.3
333.07721	1.2
336.06210	1.2
337.07135	0.7
351.08612	0.9
353.06662	37.0
354.07114	3.8
361.07248	2.0
369.09662	0.9
379.08359	6.3
396.08411	2.0
397.09189	21.0
398.09613	1.9
417.11844	0.7
455.03647	0.7
543.15045	52.0
543.21570	18.1
544.15387	9.6
544.22131	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	541.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96088	2.0
56.56400	1.9
56.97241	1.6
57.03320	3.6
59.01254	29.5
61.98706	3.4
63.89236	2.0
71.01254	21.1
71.57591	3.3
72.99183	7.6
74.73377	1.7
75.00754	15.4
77.47504	1.7
78.95768	3.5
83.01258	3.0
85.02829	24.1
87.00741	8.0
89.02303	6.3
95.01250	5.5
95.52048	2.0
99.00755	12.4
101.02309	2.4
103.00232	2.1
106.49702	1.9
111.00763	3.5
112.98772	2.1
113.02338	30.6
115.00289	2.0
117.01798	2.8
121.28095	1.8
129.99072	1.8
141.01781	2.8
152.99487	3.1
157.01341	2.5
163.11203	2.1
165.12753	13.5
167.10672	1.7
171.10175	2.0
174.01624	23.6
175.02396	6.9
200.91998	2.3
201.11188	2.8
205.07143	2.1
209.11734	5.3
211.13370	2.7
225.11296	4.2
247.20621	5.8
249.06218	5.0
267.07114	10.3
273.18576	4.3
291.19656	38.0
292.20013	3.3
293.21298	3.4
305.17377	2.0
312.22702	2.2
313.22885	3.4
319.22702	2.8
523.25659	4.4
541.26544	100.0
542.27063	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	541.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93745	0.7
59.01252	16.8
61.98691	1.4
69.03324	4.1
69.21194	0.7
69.23320	9.0
71.01258	7.6
72.99165	1.1
73.02795	2.0
75.00750	1.0
78.95789	0.9
80.76125	0.8
81.03336	1.8
83.01257	2.4
85.02837	3.8
85.69536	0.9
87.00748	1.1
89.02311	3.0
93.03310	0.9
95.01256	2.3
97.02832	4.4
98.48346	0.7
99.00754	1.6
101.02325	4.5
108.02069	5.0
109.02831	3.3
113.02354	3.4
123.00765	7.1
124.01568	23.6
125.02345	57.9
126.02633	1.2
131.17661	0.7
137.02316	2.3
149.99496	31.5
151.00131	2.7
151.03914	1.0
152.01115	3.8
153.01823	1.4
160.22165	0.9
161.04434	1.2
163.03786	0.7
165.12773	1.3
167.03403	2.3
168.00563	64.9
169.01334	7.5
171.10216	1.1
183.13869	3.9
206.30510	0.8
209.11710	1.8
211.02441	0.9
211.13377	0.9
222.13953	0.7
251.12766	1.1
305.17590	1.0
313.05542	1.3
317.13907	1.0
331.06863	1.3
497.20514	0.9
509.20615	4.6
523.18103	1.6
541.19226	100.0
542.19531	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	59.4
60.01608	0.7
60.99186	0.6
65.03828	1.0
67.01761	1.9
69.03320	0.7
70.19656	1.2
70.20047	0.9
71.01250	2.2
72.99187	0.6
75.00761	1.2
81.03345	2.6
83.04884	1.4
85.02812	1.7
87.00763	1.8
93.03337	25.4
94.03689	0.8
104.20290	0.5
109.02837	1.6
111.00766	1.2
111.04407	5.1
113.02325	0.8
114.11327	0.6
117.03363	6.1
119.04922	83.5
120.05282	3.1
121.02797	1.0
127.03931	3.3
137.02351	14.5
138.02760	0.6
145.02859	41.0
146.03214	1.9
155.03413	8.1
163.03931	72.5
164.04269	3.3
173.04480	54.5
174.04794	2.5
178.31960	0.7
191.05548	2.1
212.94092	0.5
215.05563	1.4
233.06645	20.8
234.07111	0.7
309.29050	0.6
319.08228	100.0
320.08572	8.8
325.09357	3.4
379.10403	4.5
399.46024	0.7
421.11423	1.8
481.13367	4.4
500.14175	0.6
516.74243	0.6
541.15594	43.7
542.15979	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	541.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93745	0.7
59.01252	16.8
61.98691	1.4
69.03324	4.1
69.21194	0.7
69.23320	9.0
71.01258	7.6
72.99165	1.1
73.02795	2.0
75.00750	1.0
78.95789	0.9
80.76125	0.8
81.03336	1.8
83.01257	2.4
85.02837	3.8
85.69536	0.9
87.00748	1.1
89.02311	3.0
93.03310	0.9
95.01256	2.3
97.02832	4.4
98.48346	0.7
99.00754	1.6
101.02325	4.5
108.02069	5.0
109.02831	3.3
113.02354	3.4
123.00765	7.1
124.01568	23.6
125.02345	57.9
126.02633	1.2
131.17661	0.7
137.02316	2.3
149.99496	31.5
151.00131	2.7
151.03914	1.0
152.01115	3.8
153.01823	1.4
160.22165	0.9
161.04434	1.2
163.03786	0.7
165.12773	1.3
167.03403	2.3
168.00563	64.9
169.01334	7.5
171.10216	1.1
183.13869	3.9
206.30510	0.8
209.11710	1.8
211.02441	0.9
211.13377	0.9
222.13953	0.7
251.12766	1.1
305.17590	1.0
313.05542	1.3
317.13907	1.0
331.06863	1.3
497.20514	0.9
509.20615	4.6
523.18103	1.6
541.19226	100.0
542.19531	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	54.9
67.01772	1.2
69.29256	11.1
71.01250	4.1
72.85046	1.1
75.00744	1.7
80.42017	1.0
81.03320	2.1
83.04869	1.7
85.02830	2.9
87.00755	2.2
87.91364	1.1
89.02323	1.1
93.03344	14.6
96.95885	1.9
99.00726	1.7
109.02831	2.6
111.00745	1.7
111.04372	3.5
113.02327	1.7
117.03362	6.0
119.04919	70.3
120.05222	3.3
125.55830	1.0
126.19710	1.2
127.03880	2.7
133.85880	1.1
137.02313	6.1
145.02855	29.7
145.03922	2.2
146.03192	1.2
151.04063	1.1
155.03389	4.8
155.74582	1.1
163.03920	57.8
164.04250	2.2
169.39890	1.2
173.04474	40.3
174.04790	2.6
183.90649	1.0
191.05522	3.1
191.30142	1.3
215.05582	2.1
233.06648	13.8
234.07298	1.2
319.08215	100.0
320.08612	7.6
325.09280	2.6
379.10202	3.6
481.13315	4.7
481.22931	1.6
497.18753	2.1
521.23773	1.3
541.15521	36.5
542.16138	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	541.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87269	0.8
57.03325	1.2
59.01251	63.5
60.01598	1.0
64.32764	0.9
65.03835	1.3
67.01767	1.7
68.09811	0.8
71.01239	3.7
80.96371	2.4
81.03347	1.5
83.02383	1.5
83.04886	1.7
85.02818	1.1
87.00750	3.3
89.02344	1.0
93.03337	47.8
94.03684	1.3
96.95896	1.6
99.00750	1.3
109.02846	1.5
110.73138	1.0
111.00748	1.3
111.04393	5.4
113.02312	2.6
117.03356	4.2
119.04917	66.6
120.05237	2.9
127.01358	1.5
127.03882	2.5
134.59422	0.8
137.02345	42.3
138.02625	1.4
145.02853	34.6
146.03166	1.2
155.03416	16.1
156.03691	0.9
163.03918	63.5
164.04236	3.2
173.04468	62.0
174.04813	2.4
191.05557	3.0
215.05492	3.0
233.06622	37.4
234.06923	1.7
271.74365	0.8
319.08224	100.0
320.08597	9.6
325.09250	2.6
342.99194	0.9
379.10321	10.4
421.11295	2.1
449.32507	0.9
481.13638	2.4
499.15128	1.5
541.15570	86.9
542.15918	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.3
57.03327	2.0
58.00468	1.1
59.01252	100.0
60.01576	1.1
69.03336	3.0
71.01255	39.8
71.29008	0.8
71.29350	0.9
72.01604	1.2
72.99198	2.8
73.02818	50.3
75.00753	1.6
78.95775	16.2
81.03338	1.0
83.01260	15.0
83.04919	0.7
85.02829	7.4
87.00760	1.7
89.02325	12.7
91.48122	0.6
95.01288	2.1
96.95898	1.2
96.96838	3.7
97.02856	1.8
99.00780	1.8
101.02326	51.5
102.02662	1.3
108.02072	0.6
109.02847	2.2
113.02336	17.8
119.03384	5.8
123.00807	0.5
123.04400	0.9
123.51760	0.6
125.02344	12.4
127.03875	0.6
131.03368	3.7
135.04370	0.8
137.02379	2.3
143.03423	3.5
144.37602	0.5
145.02882	1.0
149.02351	0.9
149.04428	3.2
151.03961	1.0
152.01025	0.8
152.99487	27.5
153.99843	0.6
155.03429	2.0
160.01546	0.9
161.04480	12.5
163.03940	0.7
164.00998	0.5
165.01895	1.1
166.99786	0.7
167.10762	1.2
168.00603	0.7
169.01334	13.6
169.08614	0.9
171.00610	0.8
175.03879	0.7
179.03444	0.8
179.05508	1.9
179.06992	0.6
179.14412	1.2
191.05672	0.5
195.13820	3.0
203.07184	1.2
205.04982	0.6
205.12267	3.0
211.13344	5.0
212.13689	0.6
221.06651	0.7
223.00134	2.8
223.09897	0.8
223.13350	15.3
224.13660	1.1
241.01180	6.3
245.08171	1.3
273.51062	0.6
289.07184	5.8
315.04929	5.1
335.22379	2.1
343.11908	1.0
387.14597	6.6
479.26770	0.8
497.27762	3.3
523.21063	0.6
533.29437	3.0
539.19244	24.6
539.28461	7.2
540.19751	4.4
540.28314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25459	0.6
52.72584	0.5
55.01751	0.9
57.03335	1.5
58.00463	1.6
59.01253	100.0
60.01596	1.2
61.98701	2.1
69.03337	1.2
71.01255	40.5
71.57581	0.7
72.01601	1.0
72.99177	2.7
73.02821	31.9
74.02351	0.6
75.00748	1.2
78.67833	0.6
78.95803	1.6
81.03360	0.6
83.01262	10.6
85.02823	7.9
87.00769	2.6
89.02319	16.3
95.01285	2.3
97.02870	1.0
99.00781	1.8
99.04413	0.7
101.02324	41.1
102.02678	0.8
108.02067	1.1
111.04446	0.6
113.02334	19.8
119.03387	7.6
125.02366	1.6
128.03459	0.7
131.03380	3.0
135.04402	0.6
143.03433	3.9
143.04489	1.1
149.04507	3.1
150.05052	0.6
152.01091	0.6
155.03398	1.2
161.04474	11.3
167.03459	1.3
179.05598	2.3
190.02733	1.2
198.41570	0.6
205.05202	0.7
209.11845	1.4
221.06583	1.1
246.55994	0.6
269.04730	0.6
271.02612	0.7
296.63779	0.5
299.02023	0.5
305.21310	0.7
306.07755	1.0
307.07800	0.6
307.19238	0.6
335.22470	1.0
419.32385	0.6
479.26672	3.2
481.46237	0.7
497.27621	7.1
498.27933	0.8
539.28534	2.8
540.29474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58857	0.7
57.03316	1.3
59.01253	23.3
61.98701	1.9
71.01254	8.4
73.02816	2.3
75.00731	1.5
78.95781	12.1
79.95592	1.2
80.96391	3.3
83.01269	1.1
85.02824	2.3
87.00739	1.3
89.02304	4.6
93.03335	0.6
94.97997	1.3
95.42712	0.7
96.96841	2.7
99.00763	0.9
101.02319	4.9
111.36948	0.9
113.02325	3.6
119.04914	1.3
123.04404	1.1
125.02323	1.2
125.25455	0.7
134.03632	0.9
152.99503	8.3
160.01633	1.1
161.04468	2.3
169.08652	1.2
170.16605	0.7
171.00572	0.8
175.03900	1.1
183.13777	5.0
193.04994	1.2
193.12260	1.3
195.13792	1.6
205.12236	1.1
211.13345	100.0
212.13713	6.2
223.13348	7.3
225.00749	0.9
241.01204	5.8
253.09290	14.1
315.04791	1.4
359.12616	1.0
376.27756	0.9
447.22342	5.6
539.18536	16.9
539.26068	1.0
540.19128	2.8
565.12378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.6
59.01255	6.7
59.02191	0.8
65.33011	0.8
69.03343	0.9
70.55101	2.2
70.55463	1.1
71.01270	1.5
71.04897	1.1
78.04992	0.9
78.95782	40.6
83.04909	1.2
85.02814	0.9
96.96864	3.9
97.02838	0.9
99.08043	2.0
111.08047	0.8
113.09617	2.4
123.08037	0.9
125.09554	1.7
127.07528	1.4
129.09096	3.2
139.11166	3.6
151.11176	1.0
152.99498	56.4
153.99808	0.8
163.11151	0.9
165.12772	1.3
167.14345	1.0
169.12225	2.4
171.00552	3.2
171.10208	8.1
181.12289	2.2
183.13817	2.7
185.11804	1.0
193.12259	2.9
195.13780	2.4
197.11850	6.0
199.13333	2.8
209.11766	1.4
211.13348	10.6
212.87657	0.9
227.03249	5.6
245.04405	2.0
249.22151	1.3
265.21747	0.9
275.20187	1.2
293.21249	15.7
294.21533	0.9
311.22299	65.5
312.22604	6.1
359.26721	1.0
447.21497	2.1
472.32901	0.9
539.26288	100.0
540.26648	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	539.2624
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
54.49410	0.7
57.03313	1.6
59.01249	4.5
68.24243	0.9
69.49245	4.4
69.49668	2.7
70.36987	0.8
78.95778	26.2
87.57293	0.8
89.99365	0.7
92.67538	0.7
96.96848	2.9
97.02836	1.2
99.08038	2.3
113.02423	0.8
113.09613	3.4
121.10173	1.1
125.09641	1.5
127.11207	0.7
129.09087	3.8
133.94264	0.8
139.11211	3.3
151.11115	1.2
152.99493	37.8
165.12782	1.3
167.14311	1.1
169.12186	2.6
171.00536	2.9
171.10196	12.2
181.12245	2.3
183.13826	2.5
193.12239	5.4
195.13899	1.6
197.11801	6.1
199.13290	2.6
209.11752	1.6
211.13390	13.1
227.03204	3.5
245.04298	4.8
249.22194	2.1
260.35052	0.8
272.88971	0.8
275.20120	1.2
293.21213	20.6
294.21561	1.2
311.22281	100.0
312.22623	9.0
315.05048	0.9
329.03134	0.9
431.51605	0.9
476.31998	1.0
539.26263	84.4
540.26575	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	539.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89138	2.2
53.45295	2.1
57.03319	3.3
59.01254	100.0
61.98700	6.1
63.99041	2.1
69.03325	5.0
70.54796	7.3
71.01254	32.8
72.99178	6.4
73.02818	10.7
73.19434	2.3
75.00743	6.0
78.95786	6.5
80.96403	6.4
83.01265	6.1
83.04897	3.6
85.02825	16.7
87.00750	6.1
89.02331	17.1
95.01244	2.7
96.96801	2.8
99.00772	4.5
99.04389	2.9
101.02335	20.4
108.02097	2.2
109.02920	2.6
113.02331	16.0
117.03352	2.7
119.03397	4.6
119.04908	11.1
125.02360	5.7
125.09593	4.2
132.01996	2.8
132.54016	2.6
134.03642	19.1
137.02338	3.0
143.04460	3.2
145.02858	7.3
149.05991	2.9
152.99536	5.2
160.01613	12.6
161.04507	4.6
163.03912	8.1
168.00612	3.2
169.01364	3.0
169.08589	11.1
175.03886	11.6
181.08546	3.8
183.13841	6.3
190.02731	3.3
193.05003	24.8
209.11746	4.3
211.13358	87.9
212.13762	5.4
241.01132	2.7
253.09262	13.5
304.68231	2.9
305.21283	8.2
335.22269	18.0
336.54272	2.1
349.52838	2.4
364.08508	2.3
377.19632	6.8
379.85941	2.5
447.22366	8.7
479.27026	11.4
479.32681	2.1
497.27875	2.9
539.20764	21.5
539.28699	8.6
540.20660	2.3
540.29230	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	539.1984
Annotation	Romidepsin
Peak:m/z	Relative Intensity
50.81545	1.8
56.41780	1.4
57.03313	5.8
59.01253	21.7
62.03777	1.6
69.49617	14.7
71.01254	30.4
72.99167	7.6
73.02786	2.7
74.40465	1.5
75.00741	28.6
75.77128	1.5
83.01270	4.3
85.02827	24.6
87.00773	9.9
89.02332	10.8
89.50260	1.5
95.01241	2.3
96.95876	1.9
98.19764	1.9
99.00770	10.5
101.02318	7.2
111.00726	3.7
113.01620	2.8
113.02334	29.2
115.00241	4.6
117.01781	2.1
119.03404	2.5
129.01799	1.7
173.04457	2.6
174.90854	1.7
175.02362	3.2
191.05525	2.7
193.03502	2.2
221.28885	1.9
225.50940	1.9
306.84445	1.8
315.57373	2.0
481.77307	1.9
495.17349	2.0
521.18622	3.1
539.19794	100.0
540.20251	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	539.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
56.32908	0.7
57.03323	4.4
58.00458	0.8
59.01253	13.2
62.74644	0.8
69.03333	1.0
69.59072	4.0
69.59497	2.5
71.01255	26.3
72.99183	6.6
73.02825	3.2
75.00748	24.2
83.01248	3.0
84.02039	0.8
85.02824	26.4
87.00392	0.7
87.00758	8.0
89.02314	7.9
95.01275	2.5
96.72318	0.8
96.72933	1.0
97.02817	1.2
98.17908	0.7
98.19895	1.8
99.00763	7.3
101.02320	7.0
103.00210	1.5
111.00766	8.4
113.02338	23.7
115.00246	2.6
117.01830	1.2
119.03400	2.6
125.02353	1.0
129.01805	1.4
131.03389	2.4
151.40523	0.9
157.01308	2.3
173.00864	1.0
173.04535	1.9
175.02393	2.2
179.05511	0.9
180.72380	0.8
191.05484	1.0
214.24330	0.8
363.16534	2.1
504.80353	0.9
521.18835	1.6
539.19794	100.0
540.20154	12.7
542.42188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89121	0.8
55.01762	1.3
57.03317	2.3
59.01257	42.4
61.98717	1.1
69.03329	4.5
69.23742	10.3
71.00896	1.3
71.01260	19.2
71.04893	1.1
73.02438	1.5
73.02822	18.2
75.00741	1.6
78.95783	67.3
81.03331	0.9
83.01266	6.3
83.04892	0.8
85.02835	3.6
85.06473	1.2
87.00768	1.4
89.02328	5.9
95.01270	1.4
96.95916	0.9
96.96854	14.1
101.01704	1.2
101.02335	18.1
109.02844	0.9
109.06471	1.2
113.02351	8.6
119.03422	2.0
125.02357	1.7
125.09618	1.8
131.03387	1.3
143.03410	1.3
149.04497	1.0
149.09604	1.3
152.99501	100.0
153.99870	1.1
160.01578	0.9
161.04434	3.8
167.10741	6.2
169.08629	4.2
171.00616	1.8
175.03926	1.4
177.12700	0.8
179.05560	1.2
179.10713	1.9
179.14328	5.3
195.13840	15.4
205.12318	9.9
211.13341	11.6
223.00111	11.7
223.13362	57.7
224.13675	3.8
241.01170	30.4
241.03587	1.8
253.09148	2.0
259.02173	1.4
275.16425	1.3
297.00531	0.8
315.04901	19.4
333.06128	3.0
377.28168	0.9
497.27487	1.2
533.29321	2.4
538.33197	6.0
539.19031	97.8
539.32233	4.7
540.19409	11.0
540.27521	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	539.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	50.1
61.98700	9.3
65.22028	3.6
71.01248	12.2
71.58637	5.6
72.99179	3.0
73.02805	5.7
78.95778	53.9
85.02830	5.8
87.00713	5.0
89.02330	6.4
95.01219	7.1
96.96793	4.5
101.02316	5.4
107.01299	5.1
113.02316	8.5
123.00784	40.5
123.04328	3.8
125.02339	4.1
127.92854	3.2
130.72212	3.2
130.82722	3.5
135.04468	3.8
138.03128	65.2
139.03854	8.5
151.00296	9.4
152.99463	22.5
153.05463	41.4
153.42827	3.6
167.03436	8.8
171.00543	12.7
177.01791	4.6
183.04422	5.5
191.03281	6.3
199.03944	12.9
201.11365	3.8
207.57605	3.2
214.02582	4.7
227.03532	7.9
241.01392	7.2
242.02155	13.6
243.02882	22.1
245.00876	7.5
255.02995	35.1
256.03275	4.5
270.01691	34.8
271.02487	63.1
272.02887	9.3
282.01563	4.2
283.02444	8.2
284.03265	4.9
285.04044	11.1
295.02438	11.3
297.04056	5.4
298.01086	7.1
299.01956	100.0
300.02756	62.8
301.03256	5.1
313.03577	56.5
314.04309	45.0
315.05112	39.9
317.21091	5.5
325.03577	7.7
335.22144	7.8
352.02219	12.7
355.04572	22.6
367.04550	60.3
368.05096	3.8
370.03394	8.3
385.05618	29.6
428.50424	4.4
509.10794	21.2
514.56342	3.9
521.10773	62.0
522.11151	10.9
539.11768	11.0
539.25903	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44900	0.8
59.01253	100.0
60.01580	1.5
61.98696	1.4
64.10966	0.8
65.47160	0.8
68.50377	0.9
70.09293	4.1
70.09647	1.7
71.33980	0.9
78.95795	1.7
90.03074	0.9
108.48461	0.9
125.09602	2.1
127.61623	1.0
152.99493	1.9
163.98882	1.0
165.12744	0.9
171.10188	2.9
209.11775	3.9
211.13376	3.5
216.72427	1.0
233.15443	3.5
385.23874	1.3
419.61725	1.0
459.27567	18.7
460.27707	1.9
477.28683	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	537.3284
Annotation	Virenamide A
Peak:m/z	Relative Intensity
50.89159	0.2
51.27781	0.3
55.01752	1.0
57.03321	1.5
58.00466	0.7
59.01254	20.6
65.00178	0.3
71.01254	10.6
71.58452	0.5
72.99175	1.4
73.02818	2.8
75.00747	0.7
83.01266	1.7
83.93858	0.3
85.02828	4.4
87.00755	1.3
88.98678	0.4
89.02318	6.2
95.01250	0.7
95.53330	0.3
97.02889	0.4
99.00757	1.1
101.02327	6.2
111.00738	0.7
113.02316	3.4
119.03345	1.4
122.59442	0.3
123.08039	0.4
125.02299	0.8
131.03389	0.3
134.03590	0.4
139.11136	0.4
149.04396	0.3
153.12688	0.4
157.12245	1.3
161.02319	0.4
161.04506	0.4
169.12329	0.5
175.03937	0.5
185.11845	0.9
193.04953	0.6
215.12880	0.5
262.76254	0.3
287.22412	0.4
300.02496	0.4
301.03769	0.3
305.30011	0.3
313.00168	0.3
329.23309	1.8
353.70184	0.3
357.26489	6.5
358.26935	0.5
359.04199	0.4
373.26010	0.8
374.06506	0.5
375.07166	1.0
375.27533	19.9
376.27670	2.0
388.48010	0.3
449.27612	0.7
463.25531	0.5
467.59290	0.3
516.35455	0.3
519.31830	2.4
537.32831	100.0
538.33173	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	537.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05994	1.1
59.01250	36.2
65.33752	1.0
68.73143	1.1
69.69664	6.3
77.14759	1.1
78.95796	3.0
81.41025	1.2
90.22346	1.1
91.03857	2.1
95.04874	1.5
101.21472	1.2
105.03337	7.9
111.01907	1.9
114.22718	1.2
117.03357	1.2
119.04903	2.2
121.02810	1.3
123.04345	1.6
128.03452	1.6
132.02066	4.4
133.02853	44.9
134.03658	25.7
135.04453	10.2
137.02374	6.9
139.03944	2.0
147.04439	3.1
149.05997	4.3
150.03189	2.3
152.99504	2.8
160.01575	25.5
161.02357	17.3
161.06023	1.2
167.24362	1.3
175.03929	50.5
176.04309	1.9
177.01886	5.4
178.02629	5.9
179.03439	7.6
193.04994	14.4
194.02130	1.8
207.13869	2.2
223.74104	1.2
269.21149	1.8
284.68048	1.2
287.22351	6.2
361.20062	1.6
362.00784	1.2
385.23700	1.4
431.24438	5.8
432.24265	1.1
433.25967	1.9
445.25919	9.8
459.27521	2.4
463.27063	42.2
464.27209	3.7
477.28738	1.5
522.28436	1.9
537.30695	100.0
538.30994	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.9
56.20581	0.8
58.00463	1.3
59.01254	100.0
59.67131	0.8
60.01613	1.1
61.98703	1.5
69.03313	2.3
69.28725	9.8
71.01260	43.4
72.99171	3.1
73.02824	52.1
75.00748	1.6
78.95775	3.7
81.03346	1.4
83.01256	17.7
83.04882	1.0
85.02821	6.3
87.00763	1.9
89.02322	11.8
95.01283	2.2
99.00750	1.3
101.02329	52.1
102.02656	1.5
107.01266	1.1
113.02335	16.0
119.03401	3.6
119.04919	1.5
121.02843	2.3
125.02356	4.0
131.03416	5.5
133.06502	0.9
134.03558	1.1
136.04135	0.9
137.02324	1.1
143.03403	3.7
148.05141	1.4
149.04462	3.7
151.00287	2.9
152.01068	1.4
152.99393	1.7
155.03427	2.3
156.87645	0.9
159.84668	0.8
160.01537	0.9
160.13269	1.0
161.04477	8.6
168.00493	0.9
174.22215	0.9
177.01836	0.9
178.99696	0.9
188.66750	0.8
203.91833	0.8
211.13480	0.9
221.06451	1.3
243.02899	1.8
243.06581	3.7
255.02905	1.9
271.02460	3.4
276.93442	0.9
283.02652	1.5
297.18439	1.3
299.01877	2.4
300.02750	2.0
301.03476	1.6
310.01288	1.8
311.01956	11.5
312.02271	1.7
315.19623	3.9
327.01434	3.5
328.02124	2.3
333.03033	0.9
455.31711	0.9
477.24890	2.0
537.25531	4.1
538.26617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
57.03326	2.5
57.27949	0.4
58.00469	1.0
59.01254	14.8
61.98692	1.3
67.01772	0.9
68.99695	0.9
69.03333	1.4
71.01255	13.7
71.58255	0.6
72.99184	4.4
73.02822	2.1
75.00747	13.2
78.95777	0.8
81.03381	0.6
83.01289	1.1
85.02823	15.2
87.00755	5.8
88.98695	0.8
89.02318	4.2
91.03902	0.7
93.03348	2.2
95.01277	3.5
97.06494	0.5
99.00759	7.9
99.08041	1.3
101.02329	2.4
103.00243	1.6
104.40527	0.5
108.58212	0.5
109.02838	0.7
111.00779	0.8
111.04376	0.5
113.02332	17.0
114.02669	0.5
115.00249	1.3
117.01850	1.8
119.03440	0.8
119.04874	0.6
121.18353	0.5
124.01571	0.6
125.02345	2.9
129.01831	1.5
131.03432	0.5
135.04424	0.6
137.02342	4.0
139.00310	0.6
141.12767	1.8
142.98409	0.5
149.99449	0.9
157.01384	0.9
160.01546	0.6
168.00557	2.1
175.02437	3.2
197.99063	0.5
198.99959	1.1
202.00670	0.5
205.07144	0.9
221.19154	2.7
231.05031	1.0
241.21724	1.2
249.06149	10.8
250.06468	0.8
265.18097	2.2
267.07156	1.8
269.21201	2.2
283.19122	3.3
285.20615	1.5
287.22293	66.1
288.22632	5.3
301.20197	5.4
321.56415	0.5
443.77802	0.5
519.28180	2.3
537.29169	100.0
538.16632	0.8
538.29480	14.2
547.23883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31300	0.9
53.50734	1.0
57.03315	2.8
59.01252	56.6
65.00206	1.3
68.99696	1.6
69.28441	8.6
69.28854	3.6
71.01250	17.0
72.99162	4.6
73.02805	2.9
75.00749	12.7
83.01263	1.9
85.02825	13.9
87.00752	6.2
89.02309	5.3
95.01276	5.3
99.00743	7.5
99.04404	2.2
101.02319	2.7
103.00249	1.6
107.01265	1.1
108.02068	2.3
109.02829	3.6
111.00771	1.6
113.02329	18.2
115.00259	2.0
117.01797	1.6
121.02832	1.6
123.00717	1.6
123.04315	1.1
124.01524	1.3
125.02356	2.8
129.01791	1.5
131.03407	1.2
134.03624	1.5
136.01561	1.1
137.01404	1.0
137.02318	6.5
139.00261	1.6
148.01442	1.1
151.00278	4.1
151.03853	3.2
152.01045	1.4
153.01819	1.8
160.05148	1.3
164.04718	1.4
165.01834	1.8
169.01328	1.5
175.02463	2.6
175.03868	2.0
176.04761	1.1
177.05534	1.4
180.04149	1.2
193.04988	3.6
194.05901	1.1
195.06325	1.5
203.07231	1.3
205.04990	1.3
207.13789	1.8
209.11758	3.7
220.02263	1.1
225.14850	1.9
227.12827	8.1
231.04985	1.5
249.06165	15.3
267.07199	9.1
287.14975	4.7
309.08234	6.6
315.01318	1.2
315.07376	1.4
316.01974	1.6
327.12219	2.3
329.16144	1.4
345.13449	14.8
346.13821	1.3
357.04178	1.0
361.18668	1.7
375.14526	7.6
376.14795	2.0
477.19284	2.0
508.60861	1.3
519.20618	9.7
537.21808	100.0
538.22192	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	537.2477
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
57.03324	0.8
57.30478	0.8
59.01255	5.2
61.98705	1.5
68.97464	0.7
69.03325	1.8
70.87491	1.2
70.87817	1.9
71.01220	0.8
72.99159	0.9
78.95782	51.5
79.26172	0.9
81.03364	1.0
83.04893	1.2
83.26885	0.8
89.06131	0.9
96.96845	3.6
97.02839	3.0
111.08052	7.9
125.02290	1.3
125.09633	1.4
137.09573	1.6
150.97958	1.4
152.99509	57.3
153.12787	1.7
163.11157	1.9
165.12810	4.7
166.09900	1.3
168.00529	1.2
169.12234	3.3
171.00548	4.9
171.10181	4.1
174.83400	0.9
181.12349	2.1
183.13733	1.0
185.11650	1.2
193.12215	1.2
195.13884	1.0
197.11775	34.8
198.12189	0.9
199.13446	0.9
209.11739	2.4
211.13385	5.1
227.03265	6.7
245.04228	2.5
247.20654	2.5
263.20209	1.1
273.18466	1.5
284.19122	1.1
291.16397	1.2
291.19650	26.3
292.19980	2.5
309.20746	41.5
310.21313	4.6
414.40579	1.0
445.19888	2.5
463.20523	1.2
537.24689	100.0
538.25061	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	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.1
69.34554	12.1
71.01257	4.6
75.00748	2.5
85.02815	5.3
86.13753	1.1
95.01214	1.4
96.95901	9.5
98.20571	2.7
99.00755	1.4
101.02315	2.0
109.02838	31.7
113.02355	2.6
115.00356	1.4
115.99728	1.1
121.02835	4.5
123.00748	1.6
123.04408	1.1
124.01614	1.3
136.01556	14.7
137.02383	1.3
143.04918	1.6
145.02856	2.8
146.03632	2.5
147.04472	2.8
150.03102	2.1
151.03912	15.8
152.01042	1.5
159.04411	1.5
160.05081	1.4
161.05927	3.3
165.01839	1.3
165.05441	2.3
172.05164	2.1
173.05975	1.8
175.03981	6.8
175.07581	1.4
176.04680	5.0
187.03963	2.0
188.04724	1.2
189.05479	5.3
190.06250	5.5
191.07062	8.0
195.06584	1.5
211.07716	1.3
223.07468	1.5
239.06985	4.3
249.05513	2.1
251.07124	1.9
261.05548	2.6
265.05536	1.2
265.08850	1.5
266.05853	2.4
267.06616	48.5
268.06979	4.1
279.06604	11.8
281.08243	2.3
282.08981	44.0
283.09399	3.2
294.09000	5.5
297.08090	4.5
297.11304	100.0
298.11597	10.8
312.10046	14.8
315.12375	2.2
327.12369	77.6
328.12762	7.6
345.13397	50.7
346.13998	5.7
357.13498	12.4
375.14493	52.9
376.14902	5.3
537.21106	6.8
542.21893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77023	0.9
55.01742	1.4
57.03323	1.5
58.00186	1.1
58.00464	7.2
59.01254	100.0
60.01559	0.9
65.07622	0.8
69.35867	1.8
69.36277	6.6
71.01257	64.9
72.01588	1.4
72.99178	7.2
73.02814	2.2
74.99848	0.8
75.00742	0.9
83.01270	2.1
85.02824	12.4
87.00769	4.3
89.02321	91.3
90.02663	1.4
95.01258	4.6
97.02824	1.2
97.78889	0.9
101.02328	31.5
108.02045	1.2
113.02335	25.0
117.03347	1.8
119.03394	34.2
123.04382	1.2
125.02288	0.9
131.03394	3.6
133.02853	1.4
134.03638	1.8
135.04398	2.3
137.02394	1.1
143.03416	4.8
145.02853	5.5
146.03641	37.3
147.04335	2.9
149.02374	1.0
149.04449	2.4
150.03137	2.9
161.02362	6.8
161.04492	3.6
161.05988	8.6
162.03140	54.2
163.03581	2.8
164.04703	23.2
165.05386	1.8
177.05492	41.6
178.05820	1.9
179.05516	10.7
179.07053	34.1
180.04138	2.2
180.07422	2.5
195.06558	7.3
323.50397	0.9
327.12296	1.2
339.12479	5.1
357.11905	2.0
537.21820	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	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.8
57.03314	2.2
58.00456	2.5
59.01251	53.7
69.82734	1.6
71.01254	55.0
72.99173	3.4
73.02827	6.5
75.00739	6.7
83.01262	4.0
85.02815	17.3
87.00749	3.7
89.02316	54.3
93.03364	3.7
95.01266	4.1
95.46616	1.3
95.92403	1.5
96.95872	1.9
99.00751	4.1
101.02322	26.3
108.02072	1.5
109.02824	2.3
113.02326	26.5
119.03383	20.8
121.02857	7.6
122.03661	10.6
125.02386	2.1
131.03464	1.9
134.03604	2.0
136.01529	3.1
137.02261	1.7
143.03403	4.1
146.67183	1.4
149.02353	48.8
149.04280	2.4
150.03137	77.7
151.03603	3.1
159.02835	1.8
161.04489	10.4
162.03127	2.4
163.03876	1.6
164.04688	22.3
165.05487	82.3
166.05911	2.5
177.05469	1.8
179.05550	20.5
179.06992	3.0
180.04201	6.6
189.49094	1.4
193.04936	2.4
195.02913	1.8
195.06567	40.2
196.07005	1.7
201.11931	1.4
208.08754	1.5
283.09821	3.8
312.10046	17.3
313.10498	1.7
327.12372	100.0
328.12659	10.2
339.12067	2.6
375.14523	2.5
445.01370	1.5
449.73950	1.8
489.17816	7.1
502.53821	1.5
537.19861	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	537.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02341	0.6
54.87391	0.8
55.01751	0.7
57.03316	1.2
58.00468	1.8
59.01254	25.9
71.01255	18.8
71.57321	1.0
72.99192	3.7
73.02833	1.4
75.00744	4.3
83.01241	1.7
84.85413	0.7
85.02818	6.1
87.00285	0.6
87.00760	2.7
89.02322	18.8
93.03323	1.5
95.01261	1.8
96.95889	3.4
99.00764	1.8
101.02315	9.5
108.02058	1.3
109.02834	14.7
111.00809	1.0
112.34993	0.8
113.02339	8.3
115.00274	1.3
119.03400	8.1
121.02848	7.0
122.03632	3.6
123.00778	1.5
123.04362	0.8
124.01575	0.9
125.02367	1.3
131.03397	1.2
133.02867	0.9
134.03584	0.9
135.04457	0.9
136.01566	11.9
137.02328	2.2
143.03392	1.2
145.02841	1.5
146.03630	6.0
147.04396	1.9
149.02347	32.8
150.03137	28.4
151.03932	13.4
152.04306	0.9
159.04408	2.3
160.05208	1.8
161.04541	1.3
161.05949	3.8
163.03889	0.9
164.04715	7.8
165.01816	1.5
165.05489	30.6
166.05856	0.9
171.04451	1.0
172.05197	2.5
173.05943	0.9
174.03064	0.7
175.02582	0.8
175.03949	6.0
176.04710	3.7
177.05510	0.8
179.03401	1.8
179.05515	3.1
179.07068	5.4
180.04205	2.7
187.03865	3.0
188.04680	1.4
189.05525	4.8
190.06293	4.9
191.05518	2.8
191.07047	4.6
192.05821	0.8
192.07393	0.8
193.03490	0.7
193.05098	1.4
195.06570	20.8
202.06262	1.8
203.07104	1.3
204.57707	0.6
223.07574	1.1
231.95390	0.7
233.06889	0.8
239.07063	0.7
249.05933	0.9
250.06293	0.9
251.07053	2.9
261.05634	1.1
263.04419	0.6
263.07153	2.5
266.05829	1.9
267.06622	7.3
268.07083	1.4
269.08218	1.4
278.05835	1.3
278.09314	0.8
279.06616	9.5
280.07062	2.1
281.08133	1.0
282.09015	5.0
283.09708	1.1
293.08231	2.2
294.08920	6.2
295.09607	2.0
297.07672	3.8
297.11313	9.8
298.11716	1.3
308.10291	1.0
309.07584	1.8
309.11310	2.8
312.10028	24.2
313.10507	2.2
315.12286	1.5
323.09436	1.2
324.10031	3.7
327.12372	100.0
328.12732	10.6
339.12363	32.9
340.12772	3.4
345.13202	6.7
346.13907	0.7
357.09448	0.8
357.13486	10.0
358.13904	0.8
375.14563	7.2
376.14893	0.8
447.14215	3.9
448.14703	0.8
519.18707	0.9
537.21094	6.4
538.22052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38979	0.5
55.01752	0.5
57.03326	1.1
59.01255	11.6
60.99204	0.6
61.39451	0.5
65.00198	0.8
65.03838	4.3
67.01771	2.1
69.03328	2.1
69.73012	2.6
71.01250	7.9
72.99166	0.7
73.02827	1.3
75.00751	2.2
78.95808	0.6
83.01278	2.3
85.02837	4.2
87.00739	0.9
88.98684	5.8
89.02327	4.4
91.01775	25.3
92.02124	0.7
95.01277	2.4
96.00804	0.7
97.02837	1.4
98.19886	1.0
99.00778	0.9
101.02321	4.0
107.01283	0.8
108.02031	1.1
109.02840	28.8
110.03176	0.6
111.00703	0.5
111.04415	1.1
113.02310	3.4
119.03395	2.0
121.02861	1.1
123.00779	4.7
124.01572	10.2
125.02343	18.3
126.02669	0.8
134.03609	0.8
135.00783	73.1
136.01157	2.2
137.02336	1.4
148.05058	0.5
149.02328	3.7
149.04527	0.6
149.99501	16.0
151.00203	1.6
151.03896	0.7
153.01845	100.0
154.02188	3.7
157.06531	1.0
160.87125	0.5
161.04466	1.0
164.04724	1.9
167.03493	0.8
168.00566	25.3
169.01308	2.9
175.00288	2.0
175.03929	0.6
176.01048	0.5
177.01851	0.8
178.99875	0.6
190.02634	5.0
193.01389	1.0
193.05122	0.9
199.07704	0.7
199.09714	1.5
205.04997	3.3
243.06615	2.6
271.02554	1.1
297.06259	0.9
300.02765	1.5
301.03534	0.9
313.05795	1.6
331.06708	7.9
349.93866	0.5
375.27481	1.9
393.21344	2.2
419.14435	0.5
429.10153	2.5
447.09570	2.7
448.09171	0.6
462.17868	0.5
519.11182	0.8
537.12518	36.3
537.21002	1.9
537.24652	1.6
537.32520	6.3
538.12708	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	537.1617
Annotation	2''-Epifraxamoside
Peak:m/z	Relative Intensity
50.41770	0.5
54.71568	0.4
57.22526	0.4
58.00460	0.5
59.01256	11.8
61.98703	1.1
65.00193	1.1
69.03324	1.2
69.36754	1.2
69.37170	2.6
71.01260	8.6
72.99180	0.9
73.02838	1.2
73.70726	0.3
75.00755	0.8
78.95773	1.1
80.02538	0.6
81.03337	1.7
81.80437	0.4
82.85804	0.4
83.01286	0.5
83.57597	0.4
83.58088	0.4
85.02825	1.4
87.00749	0.8
89.02323	9.9
91.01205	0.8
91.01776	17.2
95.01260	1.7
97.02853	1.7
98.19802	0.9
99.00780	0.7
101.02337	1.7
107.01297	1.2
107.04909	0.8
108.02061	20.9
109.02870	6.0
113.02303	0.9
119.03400	0.4
121.02847	1.7
123.00788	7.2
123.04437	0.4
124.01534	1.5
124.32524	0.5
125.02328	1.2
125.06042	0.4
131.03391	0.5
132.42661	0.4
135.00789	17.5
137.02350	4.0
145.02908	0.7
149.02345	1.6
151.00272	2.3
152.01067	21.8
153.01732	0.8
162.36385	0.4
163.03969	0.7
168.00629	0.5
177.01852	1.6
191.29662	0.4
193.04897	0.5
197.04378	0.4
197.06050	1.5
213.05591	1.4
215.07150	1.0
217.80910	0.5
219.31064	0.4
242.05727	3.1
243.06613	100.0
244.06958	6.6
285.07663	0.5
311.01907	0.7
327.01532	0.5
342.70490	0.4
387.10901	1.4
392.32925	0.5
405.11954	15.6
406.12372	0.9
429.10431	2.2
537.16174	58.3
538.16486	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1251
Annotation	6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
57.03317	0.7
57.86782	0.6
59.01236	1.6
59.09449	0.7
69.03331	3.4
71.01266	1.4
73.02802	0.9
81.03354	1.2
83.01270	1.1
85.02805	1.1
89.02290	0.6
95.01266	2.7
97.02828	2.8
101.02333	1.0
105.25892	0.6
106.10789	0.7
107.01290	1.5
107.64523	0.7
108.02044	0.8
109.02847	2.0
113.02343	0.8
118.22199	0.7
119.03328	0.7
121.02827	1.7
123.00776	10.5
124.01558	25.3
125.02347	48.7
126.02662	2.4
133.02818	0.7
137.02361	3.3
139.03857	1.3
145.37970	0.6
149.02318	5.1
149.99495	41.2
150.98007	0.6
151.00241	3.7
153.01828	0.9
164.04678	4.5
165.01724	0.7
167.03395	1.1
168.00565	63.5
169.01303	8.6
175.00293	2.6
175.03856	0.8
176.00934	0.8
190.02650	8.3
191.03448	1.7
193.01395	1.1
205.04996	8.1
212.08606	0.8
223.06038	3.0
243.06607	0.8
257.94095	0.7
313.05649	4.4
331.06674	17.6
332.07193	1.1
367.10223	1.4
519.11273	2.0
537.12506	100.0
538.12799	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	536.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77468	0.2
59.01240	0.6
61.78041	0.2
61.98706	2.2
62.96270	0.2
66.88703	0.2
71.01263	0.3
71.58298	0.2
71.58693	0.3
78.95779	49.1
82.02851	0.2
85.61810	0.2
96.96845	5.8
110.02386	0.2
111.01914	1.4
150.97934	1.7
152.86029	0.2
152.99496	100.0
153.99843	1.5
171.00563	4.0
195.13857	0.2
197.04861	0.2
211.13388	0.6
241.14357	0.2
251.13017	0.2
277.21884	0.2
291.19800	0.3
295.22870	0.5
449.23102	22.7
450.23425	2.7
536.26160	3.8
537.26337	0.9
538.75598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98941	1.1
54.56014	1.1
57.03345	1.4
58.99880	1.0
59.01238	1.4
60.72412	1.0
60.99179	17.3
69.52048	2.6
69.52463	7.7
69.54079	1.0
71.01247	1.7
78.58362	1.2
83.01237	1.5
84.47608	1.2
85.02814	1.3
86.94049	1.0
88.98682	100.0
89.02301	1.4
89.99000	1.6
99.00764	1.5
99.87710	1.4
107.01271	1.5
109.02839	1.9
121.02763	1.4
151.00267	7.3
160.92915	1.1
163.00266	1.7
178.99788	4.4
194.84146	1.4
203.89297	1.2
211.03896	1.6
227.03345	2.2
243.02942	3.0
255.02939	9.4
271.02472	16.8
272.02988	2.6
283.02322	2.1
300.02768	36.3
301.03491	30.4
302.03958	1.9
447.09305	60.4
448.09720	8.6
537.32623	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	537.1042
Annotation	Yunnaneic acid C
Peak:m/z	Relative Intensity
57.20882	0.7
59.01253	33.2
61.98700	2.4
63.02267	2.6
65.00187	5.4
69.03329	0.8
71.01260	16.2
71.58518	1.2
72.99184	2.6
73.02822	13.4
74.02345	0.9
75.00743	3.1
78.95780	9.2
81.03339	3.8
83.01266	8.1
83.04904	9.3
84.05265	0.8
85.02817	4.9
87.00757	1.3
88.98699	0.8
89.02335	4.4
93.90297	0.8
95.01263	1.7
96.95875	0.8
99.00751	1.2
100.07557	1.4
101.02333	15.6
107.01282	8.4
108.02084	1.4
109.02831	1.3
113.02347	6.3
119.03366	1.8
119.04871	3.8
121.02841	2.6
123.04426	1.0
124.01548	2.3
125.02334	2.4
131.04984	0.7
133.02893	1.2
137.02353	1.1
139.03865	0.8
143.03383	1.5
145.02824	1.9
147.00774	1.0
148.01578	1.7
149.02345	2.0
149.04509	1.1
149.99461	0.8
151.00282	28.4
152.99513	5.3
161.02357	2.2
161.04500	3.3
163.00270	0.9
163.03903	1.9
164.01042	0.8
164.04416	0.8
164.07104	1.8
169.01352	2.4
171.00629	1.9
171.04333	0.9
173.02353	0.8
175.03937	1.0
176.01074	3.9
177.01816	4.3
178.99809	5.8
183.04442	2.9
187.03976	1.7
197.02396	1.0
199.03932	3.2
199.18242	1.3
201.01849	3.4
201.98999	0.9
202.99823	3.8
203.03459	2.1
210.03255	0.9
211.03900	3.8
211.13382	1.3
213.01807	1.6
215.03371	2.6
216.04114	1.3
217.01457	1.0
225.02115	1.0
225.15945	0.8
226.02618	1.0
227.03444	8.2
231.02928	1.0
239.03436	2.0
240.03940	1.2
241.01428	1.1
242.02159	1.6
243.02975	7.9
243.17130	6.4
244.17331	1.3
255.00258	1.0
255.02982	19.6
256.03580	5.5
259.02457	1.6
267.03091	1.1
271.02487	22.2
272.02936	2.1
282.01749	3.7
283.02502	14.0
284.03232	9.7
285.03751	1.3
299.01984	18.7
300.02719	24.7
301.03479	7.1
310.01187	12.2
311.01968	100.0
312.02365	9.6
313.03662	1.0
327.01483	50.9
328.02182	29.4
328.05188	0.7
329.02878	5.2
333.20566	0.9
347.36069	0.8
353.20847	1.2
477.72577	0.9
480.42380	0.8
489.08383	2.5
491.10046	1.4
509.10800	2.3
519.09473	2.6
536.37134	20.7
537.10760	1.9
537.25604	12.2
537.37097	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	535.3127
Annotation	glas#24
Peak:m/z	Relative Intensity
50.33126	0.3
55.01751	1.0
57.03312	1.4
58.00460	1.0
59.01253	22.1
60.01591	0.3
61.98686	0.4
69.03284	0.3
71.00434	0.4
71.01257	12.3
71.04883	0.6
72.99186	1.9
73.02811	3.3
75.00755	1.6
83.01244	1.3
85.02828	5.9
87.00747	1.5
87.04385	0.4
89.02317	7.9
95.01254	1.1
96.95914	0.3
97.06469	0.5
97.13157	0.3
99.00742	1.2
101.02331	7.9
108.02077	0.3
113.02343	4.8
119.03381	2.0
121.06459	0.7
121.10114	0.4
123.04381	0.8
123.08031	0.3
125.02354	0.7
131.03357	0.4
139.11195	0.7
141.12712	0.4
153.09142	0.8
155.85356	0.3
157.12241	1.1
159.73901	0.3
161.04485	0.6
165.62506	0.3
167.03447	3.5
169.12259	0.7
171.10167	1.1
173.04514	0.9
179.05493	0.5
183.06580	0.7
185.11790	3.5
191.03922	0.3
191.05527	2.0
211.13374	1.5
215.09183	1.1
215.12862	6.0
243.15977	0.4
285.20892	0.6
313.23767	0.7
325.23993	0.7
327.25253	0.4
337.09296	0.4
337.23834	1.0
341.10992	0.5
343.24841	3.9
353.23569	0.4
355.24869	6.8
356.25275	0.9
357.26447	1.0
371.24274	0.6
373.25949	15.4
374.26257	1.9
416.10306	0.4
505.29803	0.5
517.30212	1.6
535.31226	100.0
536.23907	0.6
536.31555	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	535.2314
Annotation	Cowagarcinone E
Peak:m/z	Relative Intensity
55.18348	0.8
57.03324	2.4
59.01263	4.0
61.98714	5.8
69.03315	1.0
71.01251	2.1
77.45261	0.7
78.95781	66.2
81.03350	1.8
83.01265	1.9
83.04890	1.3
89.94119	0.8
95.04877	1.4
96.95880	1.0
96.96852	5.8
97.02836	1.1
97.06472	4.5
109.06508	1.3
111.01910	2.3
111.08057	1.5
123.04424	2.5
123.08053	1.3
125.09621	4.5
135.08037	0.9
137.09604	2.4
149.05971	0.8
150.97897	1.1
151.11194	2.3
152.99500	100.0
153.99797	0.9
163.11177	3.6
165.12756	2.4
167.10701	0.9
171.00557	4.7
171.10104	1.0
179.10718	1.8
181.12238	3.4
185.11739	3.3
191.10715	1.9
191.14381	3.1
192.00613	0.8
207.10281	2.8
209.11787	22.0
210.12006	0.9
211.13281	2.7
211.28299	0.8
219.92123	0.7
221.50058	0.8
225.11230	1.8
227.03185	4.2
245.04378	1.7
245.19098	6.5
289.18137	19.9
290.18405	1.1
305.54395	0.8
307.19189	14.0
308.19525	1.2
308.69724	0.8
443.18497	1.5
448.21741	1.2
449.23123	13.4
535.23114	66.3
536.23248	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	535.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90219	3.2
55.01734	4.5
57.03317	4.8
58.02837	2.8
59.01254	91.6
59.13944	2.9
61.98698	28.9
63.07182	2.9
63.67323	3.0
69.03316	6.1
71.00890	3.9
71.01262	42.2
71.57627	3.4
71.58017	6.9
72.99187	8.3
73.02820	12.8
75.00758	28.0
76.41039	3.5
78.95771	6.4
83.01244	10.1
85.02848	19.8
87.00753	12.4
89.02286	17.1
95.01233	5.9
96.04118	3.1
97.02843	5.2
99.00742	10.2
101.02330	17.5
108.02016	3.3
113.02312	18.3
117.03338	10.7
117.05280	3.3
119.03472	4.1
119.04923	44.4
121.02724	4.5
121.06524	4.6
125.02333	7.5
139.07570	3.6
143.03517	3.6
143.04808	4.0
145.02853	55.5
151.00232	7.2
152.99429	9.8
159.08029	3.9
163.03934	29.8
166.23357	3.4
185.06024	5.2
186.22253	3.8
209.11577	3.4
211.13226	4.0
227.07133	25.0
233.11841	4.9
269.21207	4.9
271.02557	3.8
285.20697	9.7
287.22336	36.6
288.22470	5.2
300.02869	4.0
307.08276	24.3
313.23785	5.1
355.24557	4.1
429.64508	4.0
431.26395	13.5
449.27588	45.0
469.36798	4.6
491.28561	100.0
492.28867	13.8
535.31476	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.8
57.03316	3.7
58.00467	1.5
59.01254	65.5
67.01766	1.5
67.05391	3.2
68.99694	1.8
69.03319	1.7
71.01256	21.4
71.24553	1.1
72.99177	6.3
73.02813	2.9
75.00748	18.7
81.03347	1.2
83.01258	3.2
85.02827	19.1
87.00736	5.4
89.02322	7.3
93.03307	1.6
95.01264	4.3
98.95467	1.3
99.00764	11.0
101.02320	3.1
103.00239	4.7
111.04398	1.1
113.02333	24.7
115.00266	2.0
117.01830	3.1
119.03401	1.5
119.31780	1.0
138.63071	1.1
139.00249	1.4
139.06212	1.1
157.01326	1.6
161.04533	1.4
162.04842	1.4
175.02347	1.9
179.05530	1.5
181.08621	32.7
182.08910	1.7
182.12685	1.5
214.90872	1.1
230.49216	1.5
231.04927	5.4
249.06134	59.1
250.06506	2.7
267.07224	1.5
271.02518	1.5
300.02786	1.6
375.38452	1.3
413.14468	1.9
431.15564	100.0
432.15991	12.1
449.16107	1.3
455.72104	1.4
491.17776	1.4
535.24072	7.7
535.31067	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83977	1.1
55.45153	1.0
59.01252	3.1
61.98689	1.7
65.00191	1.3
66.46077	1.0
71.57842	1.7
71.58253	1.2
76.67107	1.0
78.95779	35.2
87.18874	1.0
96.96841	4.8
97.02828	1.4
104.06049	1.3
132.02017	1.7
133.02832	2.6
134.03615	1.7
139.03946	1.4
150.97887	1.1
151.00214	1.5
152.99496	60.3
160.01552	3.0
161.02321	2.9
165.01825	3.0
168.64760	1.2
171.00557	2.3
171.10149	1.2
175.03917	3.3
187.00314	2.9
199.03830	1.2
211.03998	1.9
215.03348	1.2
221.20697	1.1
227.03418	3.2
239.03525	2.2
243.03105	1.9
255.02974	17.9
256.03650	5.3
266.02280	6.1
270.05206	1.7
283.02496	22.3
284.03284	6.3
291.19574	1.3
294.01636	8.1
298.04770	8.6
309.04050	11.9
309.20679	3.3
310.00882	1.2
311.01990	16.3
312.02731	25.4
313.03113	1.7
325.03522	4.7
326.04303	100.0
327.05060	63.6
328.05307	5.2
353.13705	5.4
461.25153	2.3
535.12604	8.7
535.26801	13.0
536.13263	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	534.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97923	0.7
56.50550	0.6
58.02852	5.8
59.01257	6.7
71.01250	4.7
71.57985	1.2
71.58358	0.8
72.00784	1.0
72.68452	0.7
72.99201	1.7
73.02819	1.1
74.02350	14.7
75.00751	3.0
81.04490	0.9
82.02880	1.5
85.02840	3.3
86.02358	4.6
86.05975	1.0
87.00745	1.8
87.05518	3.1
89.02323	2.7
90.00091	1.6
92.05187	0.7
96.95941	0.9
97.03985	1.6
99.00771	1.7
99.05530	11.8
101.02319	2.6
101.07102	2.3
102.05508	1.7
109.02831	1.2
109.03960	2.0
109.07647	1.1
111.05547	0.9
112.03926	1.7
113.02322	3.6
119.67729	0.6
120.01124	1.4
123.05537	1.1
125.02377	0.9
125.03472	1.9
127.05024	2.1
128.03442	31.2
129.01849	1.0
129.03798	0.9
131.04674	0.7
135.05525	3.7
141.06607	3.0
143.04538	45.2
144.04878	0.8
145.06076	2.8
146.04517	4.6
149.07077	1.0
149.28975	0.7
151.00261	1.2
151.03903	0.9
152.74440	0.8
153.06607	3.0
160.00664	12.5
160.03964	0.9
161.04510	0.7
166.09830	1.8
167.04526	3.1
167.08199	2.0
175.02449	1.0
177.03291	4.4
179.04564	9.4
181.06113	1.0
185.05643	1.4
192.07779	1.7
197.05655	1.7
205.05011	1.0
209.11813	1.7
210.08792	8.9
211.13123	0.7
249.06038	1.1
254.07808	11.8
255.03055	1.3
271.02515	3.8
272.08890	21.6
273.09216	1.3
288.06628	8.3
300.02722	6.1
301.03632	3.0
306.07663	100.0
307.07993	6.7
329.14133	1.0
335.36423	0.8
431.15240	0.8
463.08862	3.2
534.20770	3.2
535.20154	5.7
552.54492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.1
62.40136	0.3
78.95780	8.1
85.04281	0.4
85.06493	1.5
85.89539	0.3
98.20581	0.9
110.98427	5.2
125.20950	0.4
130.12531	0.4
150.98174	0.4
151.11211	0.4
152.99544	0.4
153.12756	0.4
165.12779	0.9
167.01091	2.5
181.12303	1.0
185.02174	5.1
199.13344	15.8
200.13652	0.8
205.94427	0.4
211.13570	0.4
263.19919	0.4
279.19650	9.2
280.20044	0.8
311.54636	0.4
347.25934	8.0
348.26062	0.9
363.25339	0.7
365.26971	100.0
366.27328	12.2
533.28870	13.1
534.29340	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.6
70.28795	0.6
78.95780	54.9
83.86666	0.5
96.96854	5.5
109.54572	0.5
114.26160	0.6
150.97864	1.3
152.99498	100.0
153.99808	1.2
171.00543	3.8
191.05568	1.9
196.89453	3.8
305.24957	1.8
361.56186	0.5
365.26929	3.8
379.28467	0.6
533.29047	4.9
534.29596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2944
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
55.01760	0.2
57.03312	0.3
58.02836	0.2
59.01249	4.7
66.34783	0.2
71.01257	2.7
71.57995	0.3
72.99198	0.5
73.02816	0.8
75.00756	1.0
79.95602	1.2
83.01246	0.3
85.02819	1.4
87.00751	0.8
89.02306	1.2
93.03309	0.3
95.01255	0.3
95.95111	1.3
96.95889	26.3
97.02831	0.2
99.00776	0.5
101.02338	1.1
102.55914	0.2
108.02040	0.2
109.02879	0.3
113.02325	1.8
115.03795	0.2
117.03357	0.3
119.03386	0.6
119.04922	0.5
123.04430	0.2
125.02310	0.3
133.02843	0.2
135.04410	0.2
137.02304	0.3
141.01857	0.2
143.04616	0.3
145.02817	0.6
149.02347	0.3
151.00281	0.5
152.01111	0.2
160.01567	0.7
161.02341	0.3
161.04460	0.3
163.04001	0.2
175.03932	0.7
178.99763	0.3
193.01488	0.3
193.03354	0.2
193.04947	0.4
195.06601	0.6
205.05150	0.2
219.06975	0.2
239.16579	0.2
255.06490	0.8
271.02588	0.3
285.04007	0.2
287.13248	1.1
327.78455	0.2
337.09250	0.5
387.16620	0.2
489.30368	0.2
503.24683	3.7
504.24847	0.5
533.29431	100.0
534.29755	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	533.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.9
57.03319	1.5
58.00450	1.2
59.01254	26.2
61.98703	0.8
71.01258	15.9
71.57462	0.9
72.01629	0.5
72.99181	1.7
73.02821	3.4
75.00751	2.0
81.03381	0.5
83.01271	2.5
85.02827	6.7
86.85040	0.5
87.00755	1.7
87.04369	0.6
89.02316	6.8
95.01285	0.7
96.95861	0.8
97.02811	0.6
97.06470	1.8
99.00772	1.6
99.13722	0.5
101.02328	7.9
113.02348	5.7
117.03323	0.8
119.03416	1.5
119.04929	0.9
125.02353	0.7
125.09642	0.8
134.03622	1.3
136.90846	0.5
139.11165	1.2
143.03375	0.6
145.02831	1.6
157.12309	0.6
160.01570	2.1
161.01965	1.0
161.04459	1.0
163.04002	0.6
171.10153	1.1
175.02484	0.7
175.03899	3.0
176.04274	0.9
185.11765	7.6
191.07217	0.6
193.04985	1.7
194.05325	0.9
195.02954	0.5
213.11394	0.6
214.12048	1.4
215.10791	0.5
215.12845	0.9
243.15981	2.3
300.02652	0.9
311.22208	0.9
315.08633	0.9
321.98340	0.6
335.22275	1.0
337.09457	0.7
341.23349	2.2
353.23376	4.0
355.25113	0.6
371.24380	12.0
372.24646	1.8
399.81656	0.6
413.16321	0.7
473.27713	1.1
491.28287	0.7
515.28394	1.0
524.00323	0.5
533.29700	100.0
534.22174	1.2
534.30035	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	533.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.5
58.00469	3.8
59.01252	95.4
60.01598	0.9
69.03325	1.3
71.01253	81.3
71.57584	0.8
72.01614	1.0
72.99181	7.6
73.02822	2.3
75.00740	2.3
83.01261	2.4
85.02824	13.3
87.00773	4.0
89.02316	100.0
90.02647	1.4
95.01265	5.7
96.95876	1.5
99.00760	1.5
101.02324	34.3
102.02672	1.1
113.02330	26.7
115.00299	0.8
119.03389	37.2
125.02361	0.9
128.03426	0.9
131.03389	4.2
134.03587	0.9
135.04405	0.8
143.02483	0.6
143.03433	5.8
143.04457	1.2
149.02235	0.7
149.04443	3.6
161.04445	6.5
163.03757	0.8
179.03850	0.8
179.05528	15.3
190.02513	0.8
191.05492	2.6
194.05492	0.8
194.76828	0.7
205.05008	0.8
211.97752	0.7
267.07083	2.8
270.88211	0.7
319.31284	0.7
533.17682	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	533.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89621	1.2
55.01763	5.8
55.50623	1.2
57.03324	3.6
58.00483	2.9
59.01251	75.7
61.95823	1.2
64.82533	1.2
69.03326	1.7
71.01257	77.6
71.57629	1.9
72.01601	1.3
72.66740	1.3
72.99178	3.0
73.02823	32.4
75.00751	2.7
81.03335	2.3
83.01263	15.7
85.02825	20.7
87.00770	5.7
89.02322	63.5
93.15332	1.3
95.01260	7.3
96.95901	8.1
97.02832	23.4
98.95479	9.1
99.00755	3.1
101.02326	100.0
107.01327	1.3
113.02332	39.8
115.03880	4.1
119.03391	23.6
125.02342	6.1
131.03418	7.0
143.03421	20.9
149.04498	2.9
151.00293	2.2
159.02884	1.7
160.01569	1.4
161.04471	64.3
162.04697	2.0
178.99800	2.7
179.05533	48.6
180.05777	2.2
221.06595	13.0
259.06073	1.4
263.07742	11.1
271.02234	1.6
300.02835	1.8
311.15121	2.6
369.09518	2.5
382.94955	2.3
387.10684	2.9
470.29593	1.5
500.22540	1.5
533.00293	4.1
533.23047	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	533.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.7
57.03323	7.2
58.00465	1.1
59.01252	49.4
67.01778	0.5
68.99686	0.8
69.03328	1.2
69.99564	0.3
70.71938	0.8
70.72324	0.7
71.00839	0.7
71.01256	33.4
72.99178	6.6
73.02822	5.9
75.00748	42.9
76.01075	0.4
83.01265	4.5
83.75565	0.4
84.02027	0.7
85.02824	46.8
86.03169	1.2
87.00754	12.3
89.02322	5.2
91.44669	0.4
95.01269	5.4
96.95888	4.0
97.02813	1.8
99.00760	15.4
99.04385	1.1
101.02325	8.4
103.00256	2.1
111.00780	1.5
111.04433	0.5
112.01561	1.1
113.02332	49.4
114.02679	1.2
115.00265	4.0
116.01064	0.8
117.01830	2.5
119.03374	0.6
119.04904	0.7
125.02332	1.4
127.03943	0.4
129.01799	1.8
131.03378	0.9
138.18190	0.4
143.03391	0.5
153.01846	0.5
157.01355	2.2
159.02921	0.8
161.04475	2.4
173.04420	0.8
175.02390	6.2
175.03908	0.5
199.89673	0.3
201.03932	0.5
216.96983	0.4
243.02940	0.5
255.03055	0.4
271.02472	0.8
299.01953	3.3
300.02271	0.5
314.04333	1.7
315.18069	2.5
329.06656	4.2
330.07361	0.4
377.07162	3.4
429.21378	3.1
430.21347	0.5
447.22253	0.7
473.20139	1.0
491.21027	0.9
503.24847	1.0
515.21075	1.0
533.22125	100.0
533.29523	18.9
534.22742	16.2
534.29822	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	533.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10437	0.6
55.01759	1.4
57.03328	6.3
59.01257	42.7
67.01752	0.7
68.99708	0.9
69.03336	1.9
69.70232	1.6
69.70638	3.1
71.01260	28.2
72.99188	5.8
73.02825	6.0
75.00748	37.6
77.77474	0.6
83.01271	2.7
84.02058	1.1
85.02831	36.9
87.00758	9.3
89.02317	4.8
90.83836	0.6
95.01289	5.2
96.95897	4.8
97.02815	1.0
99.00764	15.4
101.02332	7.8
101.12673	0.6
103.00216	1.5
112.01583	0.7
113.02341	42.6
114.02673	0.8
115.00287	2.8
116.01066	1.0
117.01802	2.3
119.04936	1.5
125.02374	1.1
129.01845	2.9
131.03421	1.1
134.03619	0.9
141.01889	0.7
157.01314	1.9
161.02252	0.7
161.04489	3.9
162.05060	0.6
163.03969	1.0
166.69354	0.6
173.04546	0.8
175.02411	6.6
175.03793	1.1
185.85425	0.7
193.05077	1.6
232.86188	0.7
296.34796	0.7
314.84967	0.8
315.18198	2.1
377.07175	3.8
429.21115	3.4
473.20255	1.3
503.24905	1.2
533.22485	100.0
533.29700	24.3
534.22894	16.4
534.30115	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	533.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.0
56.58660	0.4
57.03323	6.6
58.00470	1.1
59.01256	58.1
60.01594	0.8
64.92887	0.5
67.01759	1.3
68.99724	1.0
69.03331	1.6
70.71682	1.7
71.01261	32.5
72.01553	0.6
72.99185	5.9
73.02824	7.1
75.00751	44.0
83.01265	5.2
84.02044	0.6
85.02831	38.2
86.03165	0.8
87.00759	10.3
89.02327	7.7
93.03321	0.6
95.01280	8.0
96.95902	7.6
97.02846	1.7
99.00759	15.9
99.04367	0.7
101.02337	8.1
103.00250	2.1
108.02066	0.5
109.02837	0.8
111.00783	4.2
112.01563	1.7
113.02341	43.4
114.02662	1.0
115.00252	3.2
117.01841	2.6
117.03356	0.7
119.03417	2.1
119.04927	1.7
121.02847	0.7
123.00781	0.7
123.04429	0.4
125.02321	2.1
129.01837	2.5
131.03424	1.2
134.03659	0.5
137.02370	0.8
139.00275	0.6
141.01828	2.9
143.03333	1.0
145.02876	4.4
150.03180	0.9
153.01862	0.5
157.01373	5.0
159.02882	0.8
161.02400	0.5
161.04509	2.2
161.05647	0.4
162.09138	0.5
163.03911	1.3
165.05563	0.7
173.04509	1.0
175.02448	6.1
175.03857	0.6
177.01822	0.5
178.99791	0.5
190.02724	0.5
193.03329	0.7
205.04990	1.2
209.11786	0.5
249.06029	1.1
255.03288	0.4
267.07208	0.8
287.13345	0.4
289.07092	0.6
306.07690	0.5
315.18207	1.6
335.06277	1.2
341.22992	0.6
353.23453	1.2
367.10400	0.6
377.07306	1.5
387.16724	5.5
388.17358	0.5
424.94696	0.5
429.21457	3.6
430.21506	0.4
473.20233	8.5
473.27051	0.8
474.21161	1.0
474.27917	0.6
491.21411	12.3
492.21793	1.6
503.24255	0.9
515.21088	1.0
530.67401	0.5
533.22333	100.0
533.29639	34.2
534.22675	14.3
534.29968	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	533.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.8
58.00460	1.0
59.01257	55.9
60.01583	0.6
64.19257	0.5
69.03289	0.7
69.45973	1.5
69.46398	2.8
71.01260	14.2
72.99191	1.6
73.02836	2.0
75.00751	3.5
83.01265	2.0
85.02827	5.6
87.00745	1.8
89.02323	10.7
89.02834	1.0
93.03323	1.5
95.01258	2.1
96.95901	2.9
99.00777	2.8
101.02335	9.9
103.00237	0.5
108.02067	0.5
109.02888	0.7
111.04291	0.6
113.02341	7.4
117.03359	22.1
118.03635	0.6
119.03423	3.7
119.04922	38.3
119.29714	0.5
120.05258	6.9
121.02872	1.7
121.05528	2.3
121.06366	0.6
123.04436	1.0
125.02329	1.7
128.03467	0.7
133.02850	0.6
133.06505	2.0
135.04443	0.5
137.02414	1.0
145.02864	78.8
146.03212	4.0
149.02356	1.0
149.04327	0.5
150.03117	1.0
157.01320	0.7
161.04630	0.7
161.05978	4.1
163.03931	23.7
163.11220	4.6
164.04263	4.4
165.01888	1.5
165.04466	1.5
165.09122	0.5
175.00334	2.0
175.03957	1.3
176.01059	3.2
177.01456	1.9
177.05470	3.7
178.01535	1.1
178.05875	1.8
179.05716	0.8
190.02710	3.1
191.03375	4.5
192.03714	2.2
193.03967	0.7
196.40247	0.5
205.01547	0.5
205.05031	6.5
206.05412	2.0
207.05606	1.0
207.10233	7.5
209.04512	1.0
220.46025	0.5
223.06070	0.6
224.06418	0.7
235.06033	0.8
265.07172	1.7
267.07263	0.6
289.07074	0.8
308.83224	0.5
324.90482	0.5
341.23541	0.6
353.08896	1.3
354.09094	2.6
355.09479	3.8
367.10797	0.5
368.10709	1.8
369.10760	3.0
369.15378	0.9
371.24353	0.7
387.16635	100.0
388.17001	7.5
473.18820	1.3
491.28961	0.6
503.29034	1.1
515.19922	0.7
533.20874	26.0
533.29651	17.0
534.21014	3.4
534.29297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.8
58.00459	1.0
58.48898	0.8
59.01256	74.3
65.56395	0.8
71.01260	20.6
72.99184	3.1
73.02827	7.8
75.00761	5.9
83.01266	2.0
85.02836	8.9
87.00744	2.7
89.02320	14.6
93.03347	1.2
95.01269	2.9
96.95907	6.0
99.00772	3.2
101.02328	12.5
113.02338	11.3
117.03354	24.5
119.03462	6.5
119.04909	14.5
121.02811	0.8
125.02302	2.1
131.03400	1.0
133.06499	1.7
134.03592	2.2
137.02380	1.7
139.03902	0.8
145.02867	92.1
146.03236	4.3
149.06055	0.8
151.03893	0.8
155.58711	0.7
157.01317	1.1
160.01530	1.2
161.02281	2.0
161.04681	0.7
161.05994	4.2
163.03934	13.2
163.11177	5.0
175.03923	2.2
177.05559	1.3
178.02713	1.0
193.04974	2.1
194.05396	0.8
205.05028	4.7
207.10245	9.4
235.05978	1.2
265.07196	2.0
317.29404	0.8
325.08319	0.9
353.23495	3.8
387.16635	100.0
388.17050	8.8
473.19244	1.3
473.27707	0.9
489.30624	1.7
491.21625	1.3
503.24292	1.5
533.20557	37.6
533.29565	39.7
534.20782	6.8
534.29846	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	533.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.5
58.73649	1.2
59.01249	12.4
61.98710	10.3
62.04307	1.5
65.00186	1.2
69.03326	2.2
69.23531	9.7
69.23952	3.9
71.01244	4.1
71.31330	1.1
78.95792	2.4
79.13477	1.2
79.40082	1.6
81.03325	12.6
83.01247	7.3
85.02827	2.6
93.03333	10.8
95.01236	2.0
95.04900	9.5
96.95905	1.5
97.02832	6.2
99.04391	5.0
106.04172	1.1
108.01988	1.1
109.02838	2.3
113.02304	3.4
119.04924	14.9
122.03627	2.0
123.00749	1.4
123.04415	21.5
125.02335	28.8
130.51505	1.3
133.06451	1.7
135.04399	4.6
135.08035	2.4
136.01353	1.2
137.02309	4.8
137.05981	14.3
139.03905	5.2
145.06500	1.4
147.04431	3.0
149.06003	1.2
149.09633	2.1
151.00298	1.4
151.03908	2.4
151.07562	1.6
152.99451	2.0
155.03400	2.1
159.07991	1.7
162.23950	1.3
163.07588	2.0
165.05479	10.0
166.02570	2.0
167.03416	68.2
168.03729	3.3
175.07484	1.8
177.05550	1.3
177.09128	10.6
178.74773	1.1
179.03407	11.4
179.07076	7.6
181.04927	1.2
189.05484	8.0
191.03444	1.2
191.07144	1.3
191.10625	2.9
193.04984	1.5
197.04523	7.0
201.09213	1.4
205.04900	2.8
209.04520	19.6
219.10228	3.3
221.04500	5.0
221.08148	15.2
229.08723	1.5
231.06609	2.1
233.08131	6.6
239.05507	1.8
261.07477	1.4
263.09323	6.1
273.07709	15.7
275.09180	1.6
285.07718	3.7
315.08743	96.5
316.08939	6.6
327.08826	1.8
327.12390	5.0
339.12631	1.5
345.09772	32.9
346.10117	2.2
356.81293	1.4
368.08917	3.1
369.09409	3.5
369.13486	19.3
370.14029	2.1
371.15201	5.9
383.14969	2.6
399.14392	9.9
413.16019	100.0
414.16327	9.4
425.15979	2.7
443.17130	56.1
444.17313	7.0
455.16766	2.0
501.14023	3.6
515.19122	4.0
533.20160	5.0
533.28424	2.2
533.32318	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	533.1302
Annotation	Rhamnazin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.68188	0.3
57.03312	0.5
59.01254	9.6
59.01538	0.4
61.17124	0.3
61.98704	0.4
65.00188	0.7
68.99685	1.9
69.03322	0.4
71.01259	5.2
71.34814	0.7
71.35152	0.4
72.99168	1.0
73.02798	1.4
74.02316	0.3
75.00729	1.0
82.95279	0.6
83.01248	0.7
85.02838	2.0
87.00723	0.7
89.02320	2.1
93.57616	0.3
95.01237	0.4
96.95917	2.7
97.02773	0.4
99.00751	0.9
101.02344	2.1
106.97428	0.3
107.01252	0.4
108.02088	0.4
109.02856	0.4
113.02319	1.9
116.92724	0.4
117.01855	0.3
117.03345	0.6
119.03405	0.9
119.04919	0.9
121.02794	1.0
125.02309	1.2
128.03308	0.4
134.03612	0.9
135.04323	0.3
137.02327	0.6
139.03795	0.4
145.02831	1.4
151.00238	0.7
151.07382	0.3
151.11220	0.3
160.01596	0.6
161.02344	0.7
161.04453	0.5
163.03851	0.5
164.14154	0.4
165.01831	5.3
165.05527	0.5
167.03380	0.7
170.33559	0.4
171.10268	0.5
173.04616	0.4
175.03944	0.8
176.01158	0.5
177.01851	0.4
178.99771	0.4
179.03413	0.6
185.11748	0.4
186.03151	0.3
189.05521	0.3
191.05582	0.3
193.04951	0.5
195.08046	0.5
197.02457	0.4
198.03123	1.3
199.03726	0.4
200.01039	0.5
202.02600	0.8
205.04977	0.6
207.02884	0.7
214.02623	0.5
215.01385	0.4
215.03455	7.0
215.05482	0.7
216.03745	0.6
217.05016	2.0
226.02679	9.1
227.03023	0.7
229.01411	0.8
230.02193	1.6
231.02881	0.6
237.01799	0.5
241.05025	4.0
242.02090	1.6
243.02873	0.6
244.03688	0.8
245.04567	3.5
246.04912	0.5
253.01436	1.3
254.02184	5.6
255.02724	1.0
257.04599	0.4
269.04565	7.9
270.01746	8.5
270.04779	0.6
271.02371	2.3
281.00940	1.4
285.04059	74.4
286.04388	5.9
298.01160	1.5
299.01981	2.4
300.02484	0.8
301.03094	0.9
302.03812	0.4
313.03555	56.8
314.04092	8.7
315.08707	0.4
328.05890	100.0
329.06537	23.7
329.09799	0.4
330.07007	1.3
341.07053	0.5
345.10486	0.4
353.23181	0.9
371.07651	2.0
371.24316	1.2
383.07651	0.4
399.10352	0.6
400.10736	0.6
401.11826	0.4
491.28659	0.5
518.10101	0.4
533.12933	5.1
533.29669	20.0
533.72540	0.4
534.13556	0.5
534.30469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.8
59.53391	0.4
61.98685	0.5
65.00185	1.9
71.01257	1.9
72.99200	0.5
73.02814	1.1
75.00764	0.6
83.12061	0.4
85.02824	0.8
89.00190	2.8
89.02300	0.9
89.29645	0.4
92.99696	0.6
96.95914	2.5
97.02837	0.5
99.00740	0.5
101.02319	2.0
109.02830	0.9
113.02303	0.8
117.03296	0.4
120.99192	0.7
121.02737	0.8
133.99976	0.4
139.03847	0.7
145.02885	1.3
148.01573	2.5
149.02359	1.0
151.00261	1.0
155.04962	0.9
159.04292	0.4
160.98698	0.6
161.02335	0.8
161.04478	0.5
161.99498	1.3
163.00278	0.5
163.03909	0.5
165.01860	0.5
165.05472	0.4
169.02972	0.4
169.12363	0.8
170.03639	0.8
171.04411	1.0
171.10248	1.1
173.02354	0.5
176.98256	5.5
177.01759	0.4
178.99765	1.2
183.04462	1.1
185.02351	0.8
186.03125	0.7
188.98213	1.4
189.99034	5.3
197.02357	1.1
198.03166	3.9
199.03941	2.3
201.01843	1.0
203.03365	0.5
204.97685	0.6
206.99219	0.6
209.02437	1.1
211.03951	1.9
213.01811	1.0
214.02658	2.6
215.03313	0.8
216.97849	1.0
225.01886	1.5
226.02649	4.3
227.03426	6.2
229.01367	1.1
237.00221	3.2
237.02354	5.8
238.02524	0.9
239.03400	0.6
241.01454	0.7
242.02191	6.2
243.02901	2.2
245.04445	0.6
250.01112	0.6
253.01410	4.7
254.02142	2.2
255.02962	11.6
256.03403	1.2
265.01382	0.6
269.00879	4.7
270.01654	3.9
271.02414	6.0
272.02805	0.7
281.00912	29.8
282.01443	4.3
283.02408	2.0
285.03946	0.8
297.00388	5.3
298.01196	6.4
299.01999	5.1
300.02716	1.2
301.03473	0.8
309.00406	1.6
313.03339	0.7
314.04459	1.1
315.05167	0.7
315.08737	0.8
326.00650	14.0
327.01443	31.6
328.01794	3.2
329.03134	0.8
330.03485	0.6
354.00266	0.6
355.00983	5.9
358.03229	5.1
359.03845	1.2
380.31396	0.4
386.02786	43.9
387.03555	100.0
388.03937	8.2
413.16180	0.7
435.07822	0.6
461.10870	1.3
473.06885	0.7
501.07159	0.6
505.09976	3.1
533.09381	41.0
533.29199	12.9
534.09680	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0941
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.05995	0.9
57.03311	2.0
59.01259	12.8
69.90862	5.9
71.01250	10.1
72.99184	1.6
73.02828	3.5
75.00749	1.9
78.16185	0.9
78.95804	1.5
82.29458	0.8
83.01260	1.6
85.02837	3.8
87.00756	1.6
89.02316	6.1
93.03375	2.3
98.19952	1.1
99.00764	1.4
101.02340	6.4
107.01290	2.1
108.01983	1.2
109.02828	1.6
113.02339	5.4
119.03387	1.9
121.02870	1.8
125.02416	1.3
126.35712	0.9
132.02048	2.1
134.03621	1.4
135.00790	2.1
135.04451	1.1
137.02342	1.1
143.04976	1.1
147.04434	1.7
149.02393	1.7
151.00267	2.6
151.03879	1.0
153.01860	1.2
161.04459	1.5
163.00301	2.1
164.04634	1.6
165.01964	1.3
175.03902	1.5
178.99792	1.9
179.05571	1.9
179.07050	1.5
180.07401	1.1
185.06001	1.8
187.03931	3.3
190.02654	1.8
190.05051	4.4
191.05460	2.0
193.04942	1.4
197.05997	1.5
205.05037	2.8
206.05409	1.2
211.04015	2.9
213.05600	2.9
227.03464	31.6
228.03850	2.1
229.04970	8.2
241.05064	2.1
249.06157	1.2
255.02989	61.7
256.03482	9.9
257.04581	5.9
267.03067	1.6
267.07077	1.1
283.02512	1.0
284.03271	82.4
285.04031	100.0
286.04483	8.1
296.09509	1.1
327.01407	1.5
329.13892	1.6
353.10309	1.1
370.12912	4.0
371.13120	4.3
371.95892	1.1
468.73917	0.9
489.10437	39.3
490.10956	5.5
495.81332	1.0
533.22614	1.3
533.30017	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	533.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45617	1.0
57.03299	1.6
59.01257	18.1
61.98695	1.5
65.00215	2.6
69.39294	2.1
69.39700	8.4
71.01275	9.6
72.99173	3.1
73.02816	2.4
75.00744	2.6
81.03335	1.3
83.01244	2.5
85.02826	6.7
87.00740	2.4
89.00206	2.4
89.02309	3.3
93.03331	3.7
96.95889	2.8
99.00803	2.7
101.02305	5.0
109.02864	2.0
113.02321	5.3
119.03415	1.3
119.04907	4.1
120.99214	2.4
121.02863	1.6
121.06507	2.1
123.04382	2.7
124.01572	1.3
125.02319	3.2
128.77422	1.0
133.02881	1.4
134.03621	2.3
137.02330	2.1
137.05986	1.5
139.03810	1.3
139.07582	6.9
145.02843	1.2
147.04408	1.4
148.01549	3.3
149.02351	3.1
151.00304	3.0
155.03403	1.1
158.03658	2.0
161.04474	1.2
163.00237	1.5
163.03923	1.3
165.05481	1.1
167.03450	6.6
170.03661	3.4
171.04376	1.9
173.04462	3.7
175.03914	1.8
176.98238	5.6
178.99718	1.2
182.03590	1.5
183.04308	2.0
183.04945	1.5
183.06583	12.6
186.03148	2.9
188.98270	1.6
191.05461	1.7
193.05045	2.2
197.02414	2.2
198.03168	4.0
199.03880	3.0
209.04419	2.6
211.04019	2.6
213.01917	3.0
214.02654	9.3
215.03336	2.1
221.08163	1.2
225.01886	2.4
226.02736	2.5
227.03427	7.0
229.01401	2.2
237.02040	13.0
241.01384	3.2
242.02206	26.4
243.02890	3.9
253.01384	3.2
254.02162	2.0
255.02972	9.7
255.06824	1.4
266.47617	1.2
269.00842	3.4
270.01700	18.1
271.02496	9.3
272.02762	1.5
273.07654	2.4
281.00882	11.1
282.01331	1.7
283.02469	1.4
285.00500	2.6
297.00412	5.7
298.01212	17.8
299.01944	13.6
300.02551	2.2
301.03098	2.5
302.03851	1.8
304.75027	1.1
309.00214	1.5
313.03387	1.3
314.04327	4.6
315.08688	11.7
317.28253	1.1
326.00699	78.8
327.01453	100.0
328.01788	10.4
329.06628	5.0
341.02917	1.8
345.09744	2.9
355.00937	2.6
358.03503	1.3
369.13196	1.7
386.02823	87.1
387.03568	89.6
388.03876	9.0
413.16083	9.6
414.16266	1.4
443.17047	5.0
473.07214	1.8
533.09369	63.9
533.29614	10.9
534.09515	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	533.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.5
61.44608	0.4
61.98682	0.5
63.02279	0.4
69.47393	2.6
71.01254	4.0
72.99174	0.5
73.02815	1.4
74.02316	0.4
75.00735	1.0
78.40841	0.3
79.95604	1.3
81.06474	0.3
83.01254	0.6
85.02827	1.5
87.00754	0.6
89.02331	2.5
93.03318	0.7
95.01279	0.4
95.95099	1.3
96.95888	23.1
99.00750	0.8
99.04525	0.4
101.02307	2.0
109.02846	0.9
113.02321	1.7
117.03384	0.4
119.03390	1.2
119.04913	13.0
120.05251	5.7
121.02823	1.3
121.05537	0.6
122.13531	0.3
123.04411	0.5
125.02334	1.0
128.03432	0.4
134.03636	0.4
135.04407	0.4
145.02853	0.8
145.46278	0.3
147.04430	0.6
149.02315	0.8
151.00273	1.2
151.03926	0.4
153.01851	0.3
159.04280	0.3
160.03949	2.9
161.02325	0.6
161.04414	1.1
163.03922	10.7
164.04250	5.5
165.01819	0.4
165.04448	1.5
165.05547	1.0
175.00253	1.3
175.03958	0.4
176.00676	0.7
177.05507	0.7
178.99815	0.7
179.03374	0.6
190.02667	3.0
191.03174	1.8
192.03246	0.8
205.01337	0.6
205.05045	1.9
205.14194	0.4
206.05368	1.4
207.05545	0.8
223.05917	0.3
225.43930	0.4
227.03450	1.4
228.03769	0.7
229.05132	0.6
239.03305	0.4
242.02103	1.0
243.02826	0.5
248.09033	0.3
249.05821	0.6
251.07130	0.8
255.02972	4.1
256.03448	1.0
257.03717	0.4
267.07108	0.5
268.03714	0.4
270.01654	1.8
271.02612	1.7
279.06613	1.5
284.03299	4.9
285.03967	8.8
286.04135	1.4
287.13217	1.3
295.06207	0.5
298.01239	1.2
299.02032	0.6
300.02786	0.9
301.03616	1.2
313.03494	2.1
314.04266	0.6
315.08560	0.4
319.20435	0.3
323.05563	1.1
323.08926	0.4
328.05844	2.2
329.06653	2.3
338.07990	1.7
353.10263	6.3
354.09818	0.4
355.09048	0.6
367.10260	0.9
368.10638	1.6
369.10892	2.6
387.10684	0.7
473.18216	0.6
489.10297	2.6
490.10757	0.5
491.18921	0.6
503.24591	3.9
532.28210	0.6
533.12817	2.4
533.16107	2.6
533.29419	100.0
534.29724	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	531.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12301	0.6
56.44390	0.5
59.01256	12.6
61.98708	0.9
69.03320	0.6
71.01254	5.6
71.57693	1.0
72.99168	0.7
73.02827	1.1
85.02841	2.5
89.02313	7.2
95.90491	0.6
101.02322	7.4
113.02338	3.4
113.09599	1.6
114.81085	0.6
119.03403	2.0
161.04445	2.5
171.10194	4.1
179.05530	1.0
195.13864	14.2
218.91992	0.7
235.08119	0.7
253.09286	25.0
254.09573	1.6
275.20184	0.8
277.21744	15.4
293.21378	1.8
294.21576	2.3
295.22787	100.0
296.23145	10.0
555.85529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
59.01251	7.6
61.98706	0.7
71.01249	5.1
71.58233	0.6
72.99198	0.4
73.02817	1.1
75.00764	0.8
78.95792	0.4
82.58723	0.4
83.01241	0.6
85.02848	0.9
87.00760	0.8
89.02316	5.1
93.55620	0.4
97.02805	0.4
97.06482	0.4
101.02330	5.8
109.04575	0.4
113.02318	3.1
113.09603	1.7
119.03390	1.6
125.02400	0.4
143.03383	0.5
161.04494	2.6
177.12842	0.5
179.05513	1.2
179.14294	1.0
195.12036	0.8
195.13844	15.6
196.14197	0.8
201.98506	0.4
207.23515	0.4
235.16861	0.6
251.23558	0.4
253.09256	22.4
254.09654	1.4
255.09686	0.5
276.83472	0.5
277.21719	14.0
278.22086	1.2
293.21298	1.2
294.21634	1.5
295.22778	100.0
296.23154	9.6
353.47229	0.4
358.14267	0.4
529.66943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59060	1.9
55.86497	2.1
58.00475	2.7
59.01253	30.3
66.12804	1.9
71.01258	10.4
71.57751	2.2
72.99197	3.8
74.75227	2.2
75.28966	2.1
89.02328	25.1
90.42028	1.8
91.03889	81.9
100.63847	2.4
112.13036	2.1
131.76390	2.6
141.14078	2.2
150.31886	2.4
321.31647	100.0
322.31931	13.7
339.32831	3.5
365.30603	57.1
366.30930	5.9
383.31686	52.3
384.31937	7.9
424.73709	2.7
439.34286	30.2
440.34787	5.2
457.35342	51.7
458.35858	7.5
531.24005	3.8
557.20538	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	531.3174
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
57.03319	4.1
59.01252	18.9
69.03307	1.9
70.89483	1.3
70.89829	1.9
71.01255	21.1
72.99182	6.8
73.02782	1.5
75.00749	21.3
77.79241	0.9
80.84087	0.9
83.01263	1.5
84.02052	1.0
85.02823	26.6
87.00757	8.8
89.02321	5.7
95.01253	6.4
99.00763	11.4
101.02335	1.0
103.00269	3.0
111.00741	1.0
113.02329	40.9
115.00269	1.4
117.01827	3.4
123.23615	0.9
129.01820	1.9
157.01305	1.4
175.02350	4.5
197.88892	0.9
205.07059	3.3
231.05112	1.1
249.06172	11.1
267.07196	9.5
279.23453	1.1
281.24866	86.9
282.25226	9.9
513.30725	2.9
531.31714	100.0
532.32104	17.9
534.74896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.5
57.03333	4.7
58.00476	0.7
59.01253	31.3
61.98695	1.0
68.99667	1.1
69.03328	1.6
71.01258	34.3
72.99183	4.9
73.02818	7.4
75.00749	30.7
75.83027	0.6
81.03334	1.3
83.01263	5.9
84.02042	0.7
85.02828	36.1
86.03152	1.0
87.00761	8.5
89.02321	8.6
93.03352	1.2
94.72036	0.7
95.01275	5.7
96.95886	0.8
97.02829	2.8
99.00764	9.7
101.02327	13.8
103.00248	0.7
108.02044	4.7
109.02857	6.8
111.00769	1.6
112.01557	1.4
113.02338	31.4
115.00242	2.9
117.01807	1.8
119.03387	1.9
119.04899	1.4
121.02843	1.0
123.00777	0.7
123.04399	0.8
125.02313	2.1
125.09570	0.8
129.01836	0.9
131.03366	1.1
137.02342	1.2
143.03384	0.9
145.02835	1.4
149.02356	0.7
151.00264	3.1
152.01053	5.5
153.01817	2.9
157.01262	0.8
161.04451	4.7
163.03836	1.0
165.01846	1.4
175.02351	2.3
175.03836	0.9
178.99796	1.2
179.05583	3.0
183.10243	0.7
190.02673	0.7
221.06609	0.8
227.03279	0.9
243.02863	2.1
243.79681	0.7
255.03035	3.5
271.02484	6.4
272.02560	1.3
300.02753	11.3
301.03531	13.0
302.03906	0.6
315.07315	0.9
347.67358	0.9
384.08478	0.8
385.09158	1.0
395.17007	1.3
398.09323	1.0
433.07892	6.9
487.25165	2.3
488.76019	0.7
520.27936	0.7
531.24402	100.0
532.18042	1.0
532.24780	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	531.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60921	0.8
53.64052	0.7
55.01754	1.1
57.03319	4.0
59.01253	34.6
60.01601	0.7
67.01740	0.9
67.12785	0.7
68.99701	1.3
69.03329	2.0
71.01256	37.8
72.99185	6.2
73.02820	12.2
75.00751	19.9
81.03337	1.6
82.43281	0.6
83.01255	4.9
83.04889	2.3
85.02823	27.0
86.03166	0.7
87.00755	7.2
89.02326	10.9
93.03358	1.6
95.01255	5.6
95.04897	0.9
96.95901	0.9
97.02855	0.8
98.20583	1.1
99.00767	12.2
101.02319	11.9
103.00246	1.2
107.01266	1.2
108.02043	1.0
109.02821	1.9
109.06482	1.2
110.27512	0.7
111.00793	1.6
112.07144	0.7
113.02329	26.4
115.00247	2.5
117.01815	2.4
119.03432	0.9
119.04915	3.0
121.02827	1.7
125.02335	2.9
128.03410	0.8
129.01808	1.9
131.03398	1.5
134.03647	1.3
137.02316	2.2
139.00208	1.0
139.07637	0.8
145.02872	0.9
148.08882	4.0
149.04518	2.3
151.00276	3.1
152.01103	1.2
155.03416	0.9
157.01329	0.8
160.01620	1.5
161.02390	0.7
161.04472	2.6
163.00378	0.9
163.03926	1.6
165.12769	2.2
169.05016	0.8
171.10257	1.3
175.02400	3.2
175.03915	1.5
177.12787	1.7
178.99742	2.2
181.12349	0.7
191.14153	1.1
193.04988	1.4
201.11203	1.2
201.16513	1.1
205.07034	1.7
209.11801	0.9
211.13199	1.1
219.17506	43.1
220.17883	2.9
231.05038	1.3
233.15491	0.8
237.18626	1.2
249.06165	15.1
255.02927	1.5
263.16556	8.5
266.88583	0.8
267.07224	6.4
271.02469	4.3
280.53961	0.7
281.17664	2.3
285.04190	1.0
291.19601	4.8
299.01907	2.0
300.02667	4.6
301.03439	5.3
309.20825	5.4
315.08728	1.1
327.21567	1.0
358.54135	0.7
398.09698	1.2
399.10849	2.7
399.23904	1.9
433.07526	2.0
471.25668	2.9
489.26953	3.1
513.23297	11.4
514.23792	1.3
531.15356	5.1
531.23834	100.0
532.15997	1.3
532.24072	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	531.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30914	0.3
59.01257	3.9
69.71257	1.1
69.71685	1.4
71.01251	3.2
73.02826	0.9
75.00768	0.6
83.01252	0.5
85.02823	1.5
87.00777	0.5
89.02332	1.2
90.15244	0.3
91.01762	0.5
93.03357	1.6
99.00761	0.9
101.02340	1.0
109.02859	0.5
113.02339	1.5
117.03355	2.4
117.50031	0.4
119.01267	1.6
119.04921	100.0
120.05245	3.9
121.02853	3.1
123.04391	0.4
125.02391	0.4
132.02022	0.4
133.02846	0.6
134.03587	0.7
135.04405	0.4
137.02306	0.4
137.35352	0.3
143.03343	0.3
145.02846	4.1
147.00795	1.0
148.01588	2.8
149.02356	3.9
150.03142	4.4
151.03848	0.7
152.01053	0.6
153.01863	0.6
162.03156	0.6
163.03923	48.4
164.04614	3.5
165.01779	0.4
165.05467	1.7
175.00305	8.6
176.01070	18.8
177.05498	16.5
178.05818	1.0
179.07021	0.9
190.02649	19.5
191.03432	26.0
192.03856	1.3
194.02109	1.1
205.05014	19.4
206.05412	1.4
207.06676	0.9
208.03677	0.7
209.04483	5.0
223.06059	3.4
233.04420	0.7
251.05612	1.9
267.07220	0.4
307.08044	0.4
350.72647	0.5
353.08774	27.8
354.09164	2.1
367.10327	17.2
368.10483	1.6
531.15015	18.6
531.28064	1.3
532.15564	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	531.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.3
59.01254	5.3
59.73078	0.6
61.25029	0.6
61.62932	0.6
67.01765	0.7
69.03330	100.0
69.34248	4.4
69.34669	1.9
70.03657	1.8
71.01250	3.5
72.99178	2.3
74.09651	0.6
79.01772	1.8
82.06921	0.6
83.01237	0.6
85.02842	2.8
89.02314	1.4
93.03330	0.9
95.01280	2.5
97.02832	18.4
99.00761	25.3
113.02329	1.8
119.08540	1.8
123.00749	1.3
141.01857	8.3
163.87514	0.8
167.03555	0.8
173.04430	0.8
185.00858	86.4
186.01198	3.8
233.06546	0.8
277.14465	1.1
327.14542	2.3
345.15616	5.8
394.40942	0.6
482.34351	0.7
519.63837	0.7
531.16882	9.0
532.17682	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.0
55.39656	0.9
59.01248	11.2
60.01539	0.8
65.88403	0.9
67.01762	0.9
68.90716	0.7
69.03329	100.0
69.23467	8.4
69.23874	1.8
70.03659	2.3
71.01261	7.8
72.01585	0.7
72.99168	3.8
73.02809	1.2
75.00741	2.8
79.01779	1.5
85.02840	4.5
87.00742	1.9
89.02306	3.6
89.99951	0.8
93.03326	1.3
95.01255	2.8
96.95879	2.5
97.02838	20.7
99.00766	25.4
100.01141	0.8
100.84827	0.9
101.02325	2.6
103.19236	0.9
108.01946	0.7
111.00746	0.9
111.04374	1.0
113.02357	4.6
115.00246	1.0
116.92748	1.6
119.04929	1.4
119.08510	1.4
135.40495	0.9
141.01852	8.5
145.02826	0.9
152.03494	1.1
153.01801	0.9
163.07593	1.2
173.04431	2.0
175.02429	0.9
175.03819	0.8
185.00848	84.2
186.01181	3.5
191.05513	2.0
226.01300	0.9
227.03435	2.8
233.06659	1.9
255.02969	3.3
259.13251	1.7
267.07211	1.0
277.14410	2.1
284.03299	1.4
285.03928	1.0
327.14401	2.6
345.15500	5.0
351.50970	0.9
440.01672	0.9
502.20297	2.3
516.21985	2.2
531.16882	9.3
532.17273	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04132	0.7
59.01247	12.3
66.92195	0.8
71.01252	8.0
71.18500	1.4
72.78094	0.8
72.99180	1.2
73.02831	2.8
75.00757	3.7
83.01252	1.6
85.02841	5.4
87.00771	1.6
89.02345	2.5
95.01278	1.0
96.95897	0.8
97.02840	0.9
99.00752	1.7
99.52856	0.8
101.02334	2.4
103.49442	0.9
104.43225	0.8
109.02824	1.1
111.00735	1.0
113.02347	6.7
115.00230	1.0
117.03341	1.7
119.04941	2.4
121.02875	2.5
124.52127	0.9
125.02332	1.2
128.03398	1.3
132.02065	8.1
133.02864	19.7
134.03633	94.5
135.04491	11.0
136.04692	1.0
137.02347	15.4
138.02705	1.1
139.03923	3.0
143.04912	1.2
146.08138	1.2
147.04376	1.3
149.02339	1.4
149.05986	25.9
150.03104	2.1
150.06299	1.1
151.03909	0.9
160.00230	1.5
160.01575	39.2
161.02348	42.2
162.02783	1.5
163.03920	1.4
167.04967	4.2
175.02611	1.8
175.03918	50.4
176.04439	1.8
177.01929	2.0
177.05550	2.3
178.02632	51.5
179.03433	11.7
180.05748	1.0
181.06532	1.4
183.04457	1.5
186.90334	0.8
189.05623	1.2
192.04224	17.9
193.04993	100.0
194.05336	5.1
197.06093	1.4
203.03410	1.7
207.06557	7.0
208.05307	1.6
209.06042	6.2
211.03964	1.2
221.04486	5.6
225.05490	3.0
227.07008	1.9
230.93204	1.0
234.48712	0.9
249.06151	1.2
251.05457	1.1
253.05048	40.9
254.05391	3.3
255.03227	0.9
263.05536	1.1
267.07095	2.1
271.06070	2.4
323.07700	55.6
324.08099	3.8
337.09280	41.6
338.09860	4.6
340.68777	0.9
354.07474	1.0
419.43817	0.8
530.26105	1.0
531.14923	19.7
531.21503	1.4
531.28546	6.4
532.15961	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	531.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.9
66.93575	0.6
69.23159	6.0
71.01250	3.2
72.69233	0.4
73.02811	1.3
75.00731	1.0
82.87260	0.5
84.79263	0.5
85.02818	1.9
86.23399	0.5
89.02276	0.7
93.03334	1.5
95.01286	0.6
98.19847	1.2
98.95475	0.6
101.02329	2.0
106.04124	0.6
106.22941	0.5
107.01266	0.9
109.02853	1.0
113.02321	1.7
113.81244	0.5
119.03319	0.6
119.04908	0.9
121.02851	1.6
125.02265	0.6
132.02068	6.2
133.02863	2.7
134.03636	43.4
135.04057	1.7
137.02328	7.1
139.03918	2.5
149.05989	15.2
150.03169	0.7
150.06299	0.8
151.00192	0.8
159.04372	0.7
160.01578	25.3
161.02386	3.4
163.00320	1.2
163.03926	0.6
175.03928	26.6
176.04321	1.6
178.02637	30.9
179.03168	2.0
183.04544	0.6
187.03915	0.9
189.05478	0.6
192.04091	1.2
193.04996	100.0
194.05313	4.4
195.04549	0.6
205.05013	0.7
207.06726	1.1
211.03908	0.9
212.04793	0.5
213.05409	0.9
219.17480	0.8
227.03427	10.6
228.03934	0.8
229.05011	3.2
239.03435	0.9
241.05144	1.0
255.02966	21.7
256.03400	2.6
257.04474	2.9
263.53506	0.5
267.07178	0.7
284.03265	28.4
285.04025	45.4
286.04346	4.3
323.07672	5.0
337.09283	26.4
338.09698	2.1
471.09912	0.9
531.14539	5.6
531.27850	2.2
532.15149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.6
59.01259	14.8
65.00215	0.7
68.27364	0.5
69.03335	1.0
71.01261	7.3
72.99220	1.4
73.02837	3.1
75.00763	1.1
80.16557	0.5
80.96423	1.6
83.01280	2.1
85.02830	3.6
87.00752	1.1
89.02341	2.3
95.01311	0.6
98.20660	1.0
99.00771	1.6
101.02341	3.8
104.25956	0.5
107.01260	0.8
109.02849	0.7
113.02333	3.0
115.00378	0.8
119.03448	0.7
119.04916	1.9
121.02829	0.8
122.03685	0.7
125.02375	1.4
126.16202	0.6
131.03445	0.6
132.02075	25.1
133.02734	1.1
134.03650	22.1
135.04390	1.7
137.02325	1.9
143.03441	0.6
147.04443	2.1
148.05219	0.9
149.06012	4.5
151.00305	2.6
156.16849	0.5
160.01585	89.1
161.02045	4.2
161.04456	0.8
163.03944	1.2
171.10172	1.3
174.03076	1.0
175.03937	100.0
176.04416	7.2
177.01852	1.3
177.05473	0.6
178.02702	2.7
178.99809	1.6
179.03448	0.9
189.05522	0.9
191.07120	4.9
193.05014	25.9
193.06787	1.3
194.05270	1.3
202.02666	2.5
205.04927	1.2
207.06636	1.5
209.74258	0.6
217.05032	7.4
218.10037	0.6
219.17479	0.9
220.03659	0.7
229.76489	0.6
235.06131	7.4
255.02838	1.1
259.06085	0.6
265.07104	2.8
267.07187	1.0
271.02509	4.8
272.57321	0.6
295.08292	6.1
299.01993	4.0
300.02963	2.9
300.05832	0.6
301.03494	4.6
306.91702	0.6
327.14182	0.6
333.16898	0.9
337.09338	23.1
338.09528	1.6
353.08896	0.6
355.08063	1.0
369.09573	1.8
398.09961	5.0
399.11005	3.9
416.80438	0.7
420.29477	0.6
429.91214	0.7
433.07706	0.7
513.20526	0.7
531.15320	10.5
531.21857	1.2
531.28705	7.9
532.15259	2.0
532.27808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1152
Annotation	6,7,3',4'-Tetrahydroxyaurone 6-(4'',6''-diacetylglucoside)
Peak:m/z	Relative Intensity
63.02276	0.5
65.00208	0.6
65.25692	0.1
69.43320	1.2
72.99200	0.2
73.02837	0.5
75.00768	0.2
76.58813	0.2
76.59282	0.1
82.07647	0.1
83.01294	0.3
85.02833	0.5
87.00768	0.3
88.03883	0.2
89.02328	0.3
91.01768	0.3
93.03332	1.5
95.01295	0.2
96.95901	0.2
99.00765	0.3
101.02337	0.5
105.47536	0.1
107.01277	2.0
108.02051	0.3
109.02814	0.7
113.02358	0.5
117.03385	0.5
119.01247	0.2
119.04949	0.5
121.02856	0.3
123.04424	0.1
125.02314	0.2
131.04924	0.2
132.02068	1.6
133.02863	0.2
134.03632	2.2
135.00775	1.7
135.04102	0.1
137.02361	0.6
139.03914	0.2
141.07033	0.2
143.04922	0.8
145.02876	0.3
145.06485	0.3
149.06065	0.7
151.00269	1.5
153.01877	0.6
155.04929	0.2
156.05766	0.2
157.06525	0.5
158.03603	0.2
159.04419	1.1
160.01581	1.3
161.02428	0.4
161.04594	0.2
163.00302	2.3
163.03938	0.4
164.01057	0.4
165.01837	0.3
167.04956	0.5
168.05798	0.2
169.06546	0.7
171.04411	0.8
172.05141	0.2
173.02400	0.2
173.05975	0.2
175.03934	1.3
177.05403	0.2
178.02647	1.6
178.99858	0.3
183.04471	1.2
184.05202	0.3
185.02385	0.6
185.05977	1.8
187.03951	2.7
188.04350	0.3
189.05505	0.8
190.02692	0.2
190.99879	0.2
192.00520	0.2
193.04997	5.0
194.05292	0.3
195.04466	0.7
196.05334	0.3
197.06024	0.9
198.03143	0.2
199.03906	1.3
199.25204	0.1
200.04652	0.4
201.05551	0.6
208.00111	0.2
211.03941	2.9
212.04529	0.4
213.01950	0.2
213.05524	1.8
214.02673	0.2
214.05855	0.2
215.03453	0.3
223.03886	0.3
224.04614	0.2
227.03462	23.5
228.03888	2.0
229.05019	9.7
230.05362	0.6
239.03438	1.9
240.04152	0.8
241.04971	1.3
243.03036	0.2
255.02975	48.8
256.03473	5.8
257.04538	6.4
258.04901	0.5
267.02963	0.8
283.02490	1.9
284.03265	62.4
285.04019	100.0
286.04388	8.6
323.07809	0.3
337.09256	1.7
348.95328	0.1
471.09326	2.0
472.09900	0.2
478.43463	0.2
489.10239	0.6
531.11371	14.7
531.28815	0.9
532.11798	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	531.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
59.01253	22.4
69.03313	1.3
71.01255	12.7
72.99192	1.6
73.02817	4.0
83.01253	2.3
85.02824	7.0
87.00772	3.0
89.02314	5.5
93.03332	1.5
93.17628	1.2
96.95885	1.2
97.09695	1.2
98.20586	2.3
99.00774	1.5
101.02322	4.9
106.04076	1.3
113.02339	5.9
117.03332	12.2
119.04946	6.0
121.02846	4.5
124.01569	2.2
125.02336	2.3
127.36716	1.4
132.02045	9.2
133.02850	21.6
134.03635	97.8
135.04457	14.1
137.02354	16.7
139.03946	6.0
145.02863	42.9
145.03746	1.0
149.02344	3.3
149.05972	27.3
150.03156	1.3
150.06351	1.4
151.00241	3.9
151.03822	1.3
152.01038	2.2
153.01843	1.2
160.01569	42.8
161.02354	45.8
162.02846	1.3
163.03940	6.4
165.01837	1.3
175.03923	54.8
176.04411	2.3
177.01846	2.2
177.05528	3.9
178.02641	51.0
178.99760	3.6
179.03415	13.9
187.03905	1.9
190.02629	3.5
191.03401	1.5
192.04240	17.2
193.04999	100.0
194.05386	4.2
201.11229	2.6
205.05009	5.3
207.06546	6.9
221.04568	4.5
223.06010	2.3
265.07080	1.7
323.07709	53.7
324.08090	2.7
337.09293	38.5
337.13351	2.2
338.09613	2.8
353.08911	1.3
367.10303	4.4
438.83591	1.4
531.14996	30.2
531.27954	13.0
532.15375	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52184	0.3
55.23873	0.2
59.01237	0.7
62.04796	0.2
71.01248	0.4
79.95606	2.6
85.02866	0.3
96.95888	100.0
97.95846	0.4
109.96561	0.2
121.02838	0.4
122.97218	0.2
134.07454	0.2
139.33487	0.2
155.72310	0.2
168.53169	0.2
185.00873	0.3
187.09764	0.2
216.02969	0.2
247.46887	0.2
271.02542	0.8
300.02704	0.8
301.03516	0.9
379.48685	0.2
407.97964	0.2
433.07663	1.0
460.80719	0.2
531.18048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07159	0.2
57.03358	0.3
59.01243	1.3
69.26540	0.2
69.27280	1.7
71.01259	0.6
72.99186	0.2
73.02798	0.2
75.00749	0.3
79.95609	2.9
83.01219	0.3
85.02823	0.4
85.15585	0.2
89.02317	0.3
96.95891	100.0
97.95782	0.4
99.00813	0.5
101.02290	0.3
108.36626	0.2
109.02804	0.2
111.00768	0.2
113.02330	0.4
115.00204	0.2
116.06736	0.2
116.92714	0.3
119.04909	0.8
123.00751	0.3
125.02330	0.2
134.03647	0.5
139.00330	0.4
149.05945	0.3
151.00275	0.5
160.01511	0.3
161.02373	0.2
163.03946	0.6
175.03888	0.5
178.02588	0.3
178.99800	0.3
185.00856	0.2
190.02696	0.2
193.05070	1.2
211.06018	0.2
255.03001	0.4
271.02463	0.8
295.87299	0.2
300.02747	1.4
301.03537	0.9
303.22055	0.2
337.09290	0.3
433.07764	1.4
434.07965	0.2
509.43481	0.2
547.69727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.302
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01755	1.8
57.03329	5.4
59.01254	15.1
62.16344	0.9
67.01764	0.8
68.99677	0.9
69.03320	3.2
70.34209	1.5
70.34604	3.1
71.01258	24.9
72.99194	3.9
73.02820	1.4
75.00751	21.4
75.01188	1.0
79.35693	0.8
83.01258	3.1
85.02829	27.6
86.03143	0.7
87.00763	8.9
89.02329	5.4
91.03883	0.9
95.01284	7.5
99.00767	18.0
103.00256	3.7
110.51297	0.8
111.00768	3.0
112.01573	1.1
113.02339	42.4
115.00256	1.9
117.01855	2.1
122.58648	0.8
129.01852	1.4
130.27415	0.7
131.03398	3.2
139.00183	1.2
157.01340	3.7
167.31978	0.7
175.02422	4.0
193.03351	0.8
201.65027	0.7
205.07132	2.8
223.08102	1.5
231.05072	1.3
249.06149	21.7
267.07233	11.5
279.23303	96.9
280.23669	8.2
380.46735	0.8
381.54120	0.8
469.27414	1.0
511.29428	1.9
529.30219	100.0
530.30530	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	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
57.03316	1.5
58.00473	0.4
59.01252	10.2
68.92235	0.3
69.03329	0.3
69.30220	1.9
69.30640	1.0
71.01256	8.8
71.04897	1.1
72.04825	0.3
72.99168	0.7
73.02832	1.4
76.52325	0.3
78.95780	0.4
83.01254	0.8
83.04886	0.3
83.26359	0.3
85.02834	2.1
85.06451	0.3
87.00757	1.0
89.02321	6.6
95.01249	0.5
97.06446	0.5
101.02326	8.2
105.66460	0.3
109.06471	1.0
112.87277	0.3
113.02330	3.3
113.09608	3.7
119.03382	1.4
121.10144	1.6
121.10894	0.3
143.03413	0.8
161.04471	3.1
163.11229	0.5
167.10768	0.5
171.10216	5.2
179.05524	1.4
179.10658	0.6
183.13847	3.6
195.13878	1.5
207.10208	0.6
209.11766	0.5
209.15451	0.5
211.13351	2.6
223.13356	0.8
223.17064	0.8
231.21158	1.2
235.08159	0.8
235.17017	8.3
236.17310	0.6
249.22078	0.7
253.09271	26.5
254.09546	1.0
265.21829	0.3
275.20157	17.8
276.20511	1.3
293.21234	100.0
294.21594	8.8
396.70300	0.3
529.29541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15522	0.4
55.01758	0.5
57.03329	0.6
58.00431	0.4
59.01254	8.5
70.89543	1.1
71.01257	5.5
72.99171	0.5
73.02811	1.0
83.01245	0.9
85.02818	1.6
87.00752	0.9
89.02323	6.1
89.77375	0.3
95.01271	0.5
97.47073	0.3
100.92646	0.4
101.02331	6.3
113.02348	2.5
119.03403	1.4
130.70769	0.4
133.38120	0.4
143.03395	0.6
161.04474	4.2
179.05566	1.1
179.14265	0.8
195.13846	8.5
196.14415	0.9
205.12265	0.6
211.13350	0.6
223.13376	6.6
223.15419	0.7
224.13861	0.6
228.13557	0.7
231.21280	0.4
253.09270	28.7
254.09598	1.7
256.13181	1.6
275.20145	6.3
293.21231	100.0
294.21558	10.1
393.04764	0.4
402.85370	0.4
492.22467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36070	0.3
55.01745	0.7
57.03331	0.5
58.00467	0.7
59.01252	14.4
69.30520	3.1
71.01259	9.3
72.99188	0.5
73.02827	1.6
74.69125	0.3
83.01270	1.0
83.90465	0.3
85.02820	2.0
87.00758	1.3
89.02319	8.6
95.01261	0.7
98.19716	0.6
99.00783	0.5
101.02325	9.7
111.08057	0.3
113.02325	4.2
113.79685	0.3
119.03401	2.3
126.13660	0.3
131.03439	0.4
143.03372	0.9
161.04471	4.5
179.05615	1.8
179.14359	0.9
181.12288	0.3
195.13831	9.0
196.14380	0.9
205.12320	0.9
205.15909	0.5
211.13414	0.5
215.77422	0.3
223.13377	6.2
224.13757	0.7
228.13644	0.5
231.21129	0.6
253.09271	40.6
254.09660	1.5
254.76936	0.3
256.13113	1.9
275.20181	5.9
276.20340	0.5
293.21228	100.0
294.21555	9.9
492.22235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01475	1.4
54.71990	1.3
56.02367	1.3
57.03323	3.0
59.01259	13.7
64.72134	1.3
69.03330	1.4
71.01263	15.3
72.99178	5.2
75.00755	20.0
78.95776	1.6
80.96394	1.4
85.02827	20.9
87.00750	7.3
89.02301	3.2
95.01263	6.4
99.00780	9.2
103.00266	4.2
113.02334	30.9
115.00237	2.4
117.01806	2.6
138.81732	1.4
161.23347	1.3
165.98608	1.4
175.02386	4.2
177.15015	1.3
205.07216	1.4
229.51369	1.6
231.05081	2.5
232.83485	1.7
249.06158	26.0
267.07211	3.0
279.23300	100.0
280.23672	7.6
293.21255	2.5
305.89142	1.7
321.23074	1.4
360.94464	1.4
511.29086	4.2
529.30188	97.2
530.30505	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	529.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00816	0.7
55.01762	1.1
56.39024	0.7
57.03336	5.5
59.01252	25.3
61.98703	1.5
62.93818	0.7
68.99686	1.5
69.03335	1.2
71.01258	31.7
71.57664	1.1
72.99173	5.1
73.02822	7.0
73.03223	0.9
75.00751	24.3
79.41934	0.7
80.96347	1.0
83.01259	4.9
83.04903	0.8
85.02827	29.7
87.00752	8.8
89.02319	8.3
95.01274	3.8
95.04902	1.0
96.95901	1.1
97.02847	2.2
99.00763	11.6
101.02323	12.4
103.00245	1.5
105.15960	0.8
107.01276	1.1
109.02823	1.7
111.00784	1.4
112.01565	1.0
113.02335	29.3
115.00276	2.0
117.01849	2.1
119.03367	1.8
123.04391	1.7
125.02353	3.9
128.03418	1.2
129.01837	1.1
131.03392	1.9
134.03625	0.9
135.04436	2.0
137.02338	2.2
143.03403	1.3
149.02357	2.8
149.04437	1.0
151.00266	4.6
151.03932	1.4
157.01324	0.9
159.04326	0.9
161.02325	2.1
161.04495	2.5
163.03943	10.1
169.01344	1.0
173.04572	1.5
175.02377	3.4
175.03812	1.0
178.06276	2.6
178.99768	3.7
181.30809	0.8
186.03177	2.0
187.04057	1.0
189.01848	1.8
191.03322	0.9
191.05550	1.4
193.08640	56.7
194.08910	2.5
198.03316	1.0
199.09662	1.6
209.11754	2.3
214.02641	2.9
231.06593	1.5
241.01346	3.9
242.02171	8.1
245.00876	3.6
249.06128	1.5
267.07242	2.2
270.01715	11.6
271.02380	3.7
298.01245	5.8
299.01944	3.5
300.02570	1.2
311.01959	1.1
313.07217	3.1
325.03513	1.2
325.07248	1.2
339.08746	1.0
355.08386	0.9
358.87372	0.9
365.06693	1.6
373.17075	0.8
383.07828	2.9
396.08478	6.5
397.09152	3.5
409.31964	0.9
438.11548	0.9
467.17191	2.4
487.18198	7.3
488.17432	0.9
511.21844	1.1
529.13550	29.8
529.22888	100.0
530.13843	5.3
530.23181	11.8
530.30103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
59.01252	12.3
69.46180	8.2
70.21554	0.9
71.01254	9.5
72.99189	2.1
73.02814	2.4
75.00739	1.7
78.62007	0.9
78.95774	1.9
79.47238	1.1
79.53094	0.8
79.95614	2.9
80.96388	12.8
82.95995	0.9
83.01269	3.0
85.02833	3.8
87.00758	1.8
89.02328	6.2
94.97975	4.0
97.02767	1.2
99.00774	4.1
101.02333	4.5
111.00727	2.2
113.02336	2.9
113.99471	6.7
115.00314	1.4
119.03373	2.2
119.04935	1.9
121.02854	1.6
122.97472	1.5
125.02347	4.4
145.02818	1.0
156.00516	3.0
163.03989	1.2
164.98604	2.5
168.00566	1.7
169.01396	1.6
173.04474	1.2
174.01624	100.0
175.02087	2.5
179.05527	1.1
225.00758	4.3
267.06671	1.3
469.20508	2.4
485.16803	1.5
529.19843	23.0
529.26587	3.3
530.19922	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	529.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00816	0.7
55.01762	1.1
56.39024	0.7
57.03336	5.5
59.01252	25.3
61.98703	1.5
62.93818	0.7
68.99686	1.5
69.03335	1.2
71.01258	31.7
71.57664	1.1
72.99173	5.1
73.02822	7.0
73.03223	0.9
75.00751	24.3
79.41934	0.7
80.96347	1.0
83.01259	4.9
83.04903	0.8
85.02827	29.7
87.00752	8.8
89.02319	8.3
95.01274	3.8
95.04902	1.0
96.95901	1.1
97.02847	2.2
99.00763	11.6
101.02323	12.4
103.00245	1.5
105.15960	0.8
107.01276	1.1
109.02823	1.7
111.00784	1.4
112.01565	1.0
113.02335	29.3
115.00276	2.0
117.01849	2.1
119.03367	1.8
123.04391	1.7
125.02353	3.9
128.03418	1.2
129.01837	1.1
131.03392	1.9
134.03625	0.9
135.04436	2.0
137.02338	2.2
143.03403	1.3
149.02357	2.8
149.04437	1.0
151.00266	4.6
151.03932	1.4
157.01324	0.9
159.04326	0.9
161.02325	2.1
161.04495	2.5
163.03943	10.1
169.01344	1.0
173.04572	1.5
175.02377	3.4
175.03812	1.0
178.06276	2.6
178.99768	3.7
181.30809	0.8
186.03177	2.0
187.04057	1.0
189.01848	1.8
191.03322	0.9
191.05550	1.4
193.08640	56.7
194.08910	2.5
198.03316	1.0
199.09662	1.6
209.11754	2.3
214.02641	2.9
231.06593	1.5
241.01346	3.9
242.02171	8.1
245.00876	3.6
249.06128	1.5
267.07242	2.2
270.01715	11.6
271.02380	3.7
298.01245	5.8
299.01944	3.5
300.02570	1.2
311.01959	1.1
313.07217	3.1
325.03513	1.2
325.07248	1.2
339.08746	1.0
355.08386	0.9
358.87372	0.9
365.06693	1.6
373.17075	0.8
383.07828	2.9
396.08478	6.5
397.09152	3.5
409.31964	0.9
438.11548	0.9
467.17191	2.4
487.18198	7.3
488.17432	0.9
511.21844	1.1
529.13550	29.8
529.22888	100.0
530.13843	5.3
530.23181	11.8
530.30103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.6
67.01775	6.8
67.64365	0.6
71.01288	0.6
71.56899	0.8
73.87083	0.6
78.95774	0.7
85.02822	1.5
99.04401	4.4
110.47771	0.7
111.00766	100.0
112.01093	2.0
115.03925	1.0
119.58789	0.7
130.08682	0.9
143.03407	45.9
144.03761	1.4
154.99770	0.8
176.84120	0.7
186.07469	0.9
187.02397	1.8
187.10815	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	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65087	0.4
57.03324	1.1
59.01254	8.2
69.03363	0.6
71.01262	6.4
71.58043	0.7
72.99184	0.5
73.02843	1.7
78.55150	0.5
78.95816	0.5
81.03371	0.5
83.01260	0.7
83.04903	1.0
85.02834	1.8
85.75112	0.5
87.00765	1.1
89.02332	4.5
95.01266	0.8
97.02848	0.6
97.06481	1.0
99.00758	4.1
99.65192	0.4
101.02325	5.7
111.08066	3.4
113.02319	3.0
119.03419	1.4
121.10134	1.8
125.09608	3.9
127.11181	1.0
133.05006	0.5
137.09599	0.5
148.39859	0.5
152.99425	0.5
153.12784	0.8
155.12993	0.4
161.04475	1.3
163.11212	0.9
165.12772	1.7
167.10707	1.0
171.10138	0.8
177.12730	0.4
179.10698	0.7
181.12283	1.4
183.13821	6.1
185.11746	1.9
186.71182	0.4
195.13841	2.3
199.13310	0.8
203.14253	0.6
207.10172	2.9
209.11848	1.6
211.13351	1.0
225.11298	6.1
226.11551	0.5
227.12842	1.5
229.19632	0.7
235.08289	1.1
243.12428	2.0
247.20753	3.0
253.09259	19.0
254.09698	0.8
263.20169	4.2
264.20602	0.5
273.18683	4.8
291.19669	100.0
292.20016	11.0
301.16592	1.4
309.20554	0.6
317.16006	1.9
527.17090	1.4
527.28571	14.5
528.28717	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	529.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.2
59.01257	2.2
61.98697	0.6
71.01260	1.2
72.99191	0.3
73.02824	0.4
75.00751	0.5
78.95789	1.6
79.95617	3.0
83.01272	0.3
85.02833	0.9
87.00745	0.5
89.02346	0.6
90.77337	0.2
96.95901	100.0
96.96893	3.0
97.95818	0.5
99.00778	0.3
101.02332	0.6
107.01270	0.2
109.02860	0.3
111.04418	0.2
113.02356	0.8
125.02359	0.3
125.97032	0.2
134.03630	0.3
141.16705	0.2
145.02974	0.2
151.00262	0.6
152.01067	0.3
153.01775	0.3
154.53645	0.2
173.04532	0.4
175.02408	0.3
178.99779	0.7
191.05621	0.2
193.05035	0.4
225.04453	0.2
227.03487	1.7
228.03809	0.2
229.63417	0.3
249.06039	0.3
255.03008	2.4
256.03528	0.3
267.03448	0.2
267.07214	0.8
272.02802	0.2
283.02585	0.2
284.03336	2.5
285.03986	3.2
311.01602	0.3
313.03601	0.4
353.06683	3.6
354.06876	0.4
397.09235	0.5
431.09866	5.9
432.10361	0.5
459.09564	0.9
529.13202	3.0
529.19208	0.4
529.27039	1.1
530.13721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46505	0.1
55.01754	0.3
57.03331	1.3
58.91063	0.2
59.01256	6.6
67.53501	0.2
69.03332	0.3
71.01259	4.9
71.04897	1.4
71.57759	0.3
72.99186	0.4
73.02808	0.7
78.95776	0.3
80.96394	0.4
83.01255	0.5
83.04912	0.2
85.02846	1.0
87.00742	0.6
89.02326	3.4
95.01244	0.3
95.04906	0.6
97.02828	0.4
97.06485	0.7
99.00748	0.7
101.02328	4.5
103.35559	0.2
109.06487	0.5
111.08049	7.7
112.08354	0.2
113.02347	2.0
113.09605	0.5
119.03371	1.1
121.06518	0.3
123.08013	0.4
125.09604	0.4
133.04958	0.2
135.11719	0.3
137.09601	0.6
139.11188	0.5
141.09077	0.3
143.03426	0.3
149.09621	0.3
153.09077	0.3
160.92625	0.2
161.04460	1.5
163.11247	0.4
165.12784	0.3
167.10696	1.7
169.12161	0.2
171.10162	0.4
177.12784	1.9
179.05508	0.5
179.10735	1.4
179.14365	0.2
181.12195	0.3
183.13882	0.7
186.75748	0.2
195.13844	5.0
196.14174	0.4
199.13310	0.4
201.11302	0.2
203.14365	0.3
207.13766	0.3
209.11774	0.5
211.13692	0.2
211.16344	0.2
219.13838	0.3
225.11243	0.4
229.19627	0.2
235.08173	0.7
247.13513	0.3
247.20689	1.9
253.09279	17.2
254.09712	1.0
273.18643	1.4
289.17850	0.2
291.19672	100.0
292.20013	11.0
303.97452	0.2
309.20819	0.3
329.89194	0.2
337.92902	0.2
479.48981	0.2
527.18365	0.4
527.28473	3.0
528.29095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92717	1.0
50.96429	0.8
51.63433	0.8
52.78854	0.9
55.01755	0.9
57.03312	3.3
59.00961	0.8
59.01254	18.8
69.27105	8.9
69.27518	3.0
71.01253	19.4
72.99184	5.4
73.02805	1.4
75.00753	20.0
78.36926	1.0
84.02029	1.2
85.02824	24.7
87.00751	6.9
89.02317	4.7
91.86111	0.9
95.01267	6.5
99.00764	10.2
103.00251	3.6
107.95721	0.9
113.02331	43.0
114.02670	1.4
115.00249	2.1
117.01831	2.5
129.01828	2.1
131.03389	1.4
155.80853	1.0
157.01411	1.4
170.05859	0.9
175.01141	0.9
175.02443	6.0
193.03368	1.6
194.73007	0.8
205.07175	3.7
223.08192	1.2
231.05072	2.3
249.06079	9.7
267.07211	11.0
277.21722	69.8
278.22079	6.7
325.67172	0.9
415.66458	1.0
467.26700	1.2
509.27805	3.2
527.28589	100.0
528.28918	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	527.2531
Annotation	chaetoglobosin C
Peak:m/z	Relative Intensity
51.59003	0.4
52.53251	0.4
59.01255	1.1
60.31459	0.4
63.96114	1.0
64.10561	0.5
69.03345	0.6
69.41766	4.6
71.01257	6.7
72.18295	0.6
73.02822	1.6
78.98469	5.6
79.95612	8.9
80.96394	65.6
81.03316	0.8
85.02824	2.4
87.00753	2.4
91.03947	0.6
94.97965	15.5
96.95895	1.0
97.02845	1.5
101.02326	2.8
106.97976	3.3
117.22244	0.4
122.97491	5.3
125.02333	3.2
127.03895	0.8
134.97476	4.3
134.98384	0.7
136.99043	1.6
146.97437	0.6
148.99051	6.1
152.98543	8.2
164.98534	12.5
182.99606	2.1
183.01074	0.4
183.13835	8.2
203.63139	0.5
206.99661	2.9
209.11996	0.5
211.13330	6.0
225.00702	16.3
226.01044	0.5
227.20102	3.2
228.20470	0.6
243.01787	1.7
277.21671	1.3
299.04425	3.2
301.16617	0.6
317.05295	0.6
326.10715	0.4
375.65186	0.4
495.29773	1.5
527.25317	100.0
528.25623	16.3
546.16754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.5
56.87038	1.3
57.03308	2.9
59.01248	19.5
64.43793	1.1
67.01773	1.6
69.03330	1.6
70.35336	3.9
71.01254	20.3
72.99183	8.1
73.02820	2.4
75.00748	25.5
85.02829	26.7
87.00754	9.2
89.02324	4.6
95.01281	7.3
96.71741	1.5
99.00768	13.9
103.00262	2.9
113.02335	32.1
115.00291	2.2
117.01823	4.4
127.12820	1.2
129.01816	2.2
147.82533	1.3
175.02374	3.9
231.05154	2.6
249.06145	29.9
267.07120	4.5
277.21725	100.0
278.22021	10.5
334.80609	1.4
467.26431	2.5
509.27576	4.2
527.28632	99.6
528.29010	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	527.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28292	1.4
51.83044	1.6
53.80940	1.6
54.13921	1.7
54.53875	1.6
55.01767	3.0
57.03314	9.2
58.00468	4.4
59.01254	49.5
67.05401	8.1
69.03328	12.5
69.42617	16.9
71.01258	26.5
72.99180	3.5
73.02835	10.7
73.39683	1.7
75.00719	2.2
81.03324	14.7
83.01265	4.2
83.04913	5.5
85.02832	16.2
87.04401	3.5
89.02311	8.3
89.72657	1.6
90.60071	1.5
91.05425	2.0
93.03337	1.5
95.04934	4.7
95.52712	1.8
97.02808	2.7
97.06480	5.1
98.20581	3.3
99.00746	4.2
99.04406	2.2
101.02334	8.9
103.03906	6.6
107.04904	5.2
109.02827	3.0
109.06496	12.1
111.04407	58.8
113.05985	3.9
117.06986	2.1
119.08562	100.0
120.08942	4.8
123.04408	26.4
125.06009	11.7
125.09610	22.3
127.03928	3.4
135.04445	2.8
137.09634	2.7
145.05037	2.9
149.09561	1.9
151.07576	8.5
153.05455	2.3
163.07565	73.2
164.07846	4.8
165.09135	5.7
169.08626	44.9
169.10059	2.2
179.10730	2.3
181.08632	63.7
182.08946	3.9
183.10213	13.9
193.08681	16.9
195.10204	5.1
199.09734	10.5
211.09807	8.5
223.09744	10.4
301.16379	1.8
309.13406	20.9
327.14508	58.1
328.14746	3.9
345.15448	21.3
346.16040	2.8
421.18439	3.5
475.69302	1.8
479.15927	3.3
479.22842	56.8
480.23230	8.5
491.22916	49.4
492.23010	6.0
497.23950	68.4
498.24237	10.9
509.23837	39.6
510.24265	6.1
527.24963	12.3
552.99670	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	527.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.1
56.47541	1.0
57.03327	8.5
58.00451	1.6
59.01253	60.2
60.55533	1.2
61.98680	3.1
67.05394	8.5
69.03006	1.2
69.03333	13.8
69.46494	9.2
71.01256	32.7
71.04905	1.5
72.99175	8.7
73.02827	13.7
73.56677	1.1
75.00732	2.5
78.95778	25.7
78.98450	3.1
79.95596	3.0
80.96393	21.5
81.03329	15.0
83.01238	4.3
83.04875	4.4
85.02824	25.7
87.00766	3.1
87.04388	5.2
89.02319	12.6
91.05426	1.3
93.03313	2.1
93.06957	1.4
94.97986	4.9
95.04894	2.5
96.95881	1.3
96.96820	3.9
97.02824	2.4
97.06441	4.6
98.20588	2.1
99.00757	5.5
99.04382	4.0
101.02320	16.7
103.03902	6.8
105.06977	1.1
106.61127	1.0
107.04890	4.0
108.02053	2.0
109.02843	6.0
109.06479	12.6
111.00700	1.1
111.04406	73.9
112.04717	2.1
113.02309	3.2
113.05940	4.0
119.03357	2.7
119.04910	1.9
119.08557	100.0
120.08861	2.4
121.06478	2.2
123.04413	12.7
125.02307	1.1
125.05995	11.9
125.09612	14.8
126.03113	1.4
127.03914	5.2
134.97493	2.0
135.04358	3.2
135.08009	1.8
137.02309	1.1
137.09595	3.9
145.02992	1.2
145.04915	3.4
148.99042	1.8
151.07591	6.3
152.99500	46.7
153.05397	3.2
160.01576	1.4
163.07558	58.9
164.07861	2.1
164.98503	3.1
165.09116	4.8
165.12767	1.2
169.08620	26.1
175.03897	2.0
179.10655	1.8
181.08623	74.7
182.08932	4.4
183.10187	18.9
183.13765	7.8
193.08655	10.2
193.12042	1.2
195.10182	3.3
199.09695	8.4
211.09686	3.6
211.13342	48.3
212.13708	3.4
223.00037	4.8
223.09766	7.9
225.00735	5.7
241.01172	14.1
259.02130	1.5
263.33224	1.1
309.13425	18.3
310.13818	1.1
315.04703	7.7
315.14395	1.2
326.55267	1.2
327.14487	81.1
328.14676	5.4
331.04865	1.1
345.15540	63.7
346.15863	4.6
381.95413	1.1
421.18469	4.7
439.19724	2.3
467.22604	1.8
479.22885	48.6
480.23224	5.4
483.25208	1.8
491.22913	45.0
492.22931	5.3
497.23941	98.9
498.24316	9.5
509.23926	85.6
510.24359	7.7
527.18372	78.6
527.24628	6.2
528.18683	8.6
528.25604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	12.3
58.57817	7.4
59.01247	100.0
59.03231	7.2
61.98693	15.8
66.26685	6.1
69.03326	18.0
69.46581	34.8
69.46985	18.0
71.01252	66.8
72.99201	13.7
73.02821	19.6
75.00774	16.0
78.95780	13.3
79.95628	6.7
83.01267	10.2
85.02828	25.2
87.00759	8.9
89.02309	65.2
96.95946	7.9
98.29783	7.0
99.00758	20.1
101.02325	50.9
108.02052	16.3
109.02853	10.8
111.04411	26.9
113.02335	32.6
115.79164	6.1
119.04908	8.3
123.04365	7.4
125.02338	20.1
128.03458	10.1
135.04407	35.5
137.02321	10.1
139.11206	9.6
142.99739	9.3
145.02853	7.1
149.04466	47.1
151.00252	13.7
152.01062	14.4
153.01881	11.0
153.12775	24.1
161.04442	10.1
167.03398	9.0
171.10201	7.1
173.00861	6.3
174.01587	15.4
178.18085	6.3
178.99837	10.5
179.10521	7.7
181.08626	18.4
183.10181	21.2
191.05501	14.6
193.01376	10.5
197.11757	31.2
199.09683	32.5
209.11951	7.2
211.13393	27.7
221.06677	10.0
233.06769	6.7
280.03741	6.4
293.08911	33.9
311.09775	11.5
319.23810	7.5
321.79300	8.0
327.14371	8.1
330.23624	9.5
345.15555	13.1
349.50903	6.6
365.19473	6.9
377.06531	8.5
416.22092	6.5
491.20926	13.6
497.24078	9.3
527.18768	52.2
528.19958	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51457	9.3
57.03323	13.2
59.01254	100.0
60.08089	7.6
61.98685	14.7
69.03334	21.8
71.01260	78.7
71.57749	9.8
72.99182	16.5
73.02816	21.2
75.00741	25.2
78.95784	18.8
80.91602	9.3
80.96382	8.2
83.01228	8.2
85.02834	34.2
87.00745	9.6
87.83167	7.8
89.02312	68.7
93.03354	19.4
95.01217	9.5
99.00768	27.1
101.02335	44.9
108.02045	16.6
111.04421	17.9
113.02357	40.3
119.03389	10.3
119.04883	12.8
119.08572	12.8
121.02816	9.3
122.46930	8.2
125.02367	15.0
135.04378	44.5
135.47902	8.6
137.02252	8.6
149.04451	49.7
151.00288	24.5
152.01059	24.8
152.99512	11.8
153.01869	11.4
153.12717	14.7
160.01668	9.0
161.02335	8.9
163.85347	8.4
173.00909	9.6
174.01617	21.9
178.99837	15.9
179.10725	8.8
181.08591	9.8
183.10277	41.4
191.05505	26.3
197.11771	29.0
199.09741	30.7
211.13380	23.0
251.07716	8.2
293.08716	29.6
311.09708	11.3
327.14819	10.9
330.23737	11.3
345.15503	15.6
462.56519	8.5
488.80676	9.4
491.21735	16.6
527.19769	90.2
545.54132	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	527.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51457	9.3
57.03323	13.2
59.01254	100.0
60.08089	7.6
61.98685	14.7
69.03334	21.8
71.01260	78.7
71.57749	9.8
72.99182	16.5
73.02816	21.2
75.00741	25.2
78.95784	18.8
80.91602	9.3
80.96382	8.2
83.01228	8.2
85.02834	34.2
87.00745	9.6
87.83167	7.8
89.02312	68.7
93.03354	19.4
95.01217	9.5
99.00768	27.1
101.02335	44.9
108.02045	16.6
111.04421	17.9
113.02357	40.3
119.03389	10.3
119.04883	12.8
119.08572	12.8
121.02816	9.3
122.46930	8.2
125.02367	15.0
135.04378	44.5
135.47902	8.6
137.02252	8.6
149.04451	49.7
151.00288	24.5
152.01059	24.8
152.99512	11.8
153.01869	11.4
153.12717	14.7
160.01668	9.0
161.02335	8.9
163.85347	8.4
173.00909	9.6
174.01617	21.9
178.99837	15.9
179.10725	8.8
181.08591	9.8
183.10277	41.4
191.05505	26.3
197.11771	29.0
199.09741	30.7
211.13380	23.0
251.07716	8.2
293.08716	29.6
311.09708	11.3
327.14819	10.9
330.23737	11.3
345.15503	15.6
462.56519	8.5
488.80676	9.4
491.21735	16.6
527.19769	90.2
545.54132	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	527.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.6
59.01251	3.4
61.98708	0.5
63.96107	0.9
69.03312	0.9
71.01258	8.6
71.58343	0.6
72.99180	0.5
73.02819	1.8
75.00727	0.4
78.89663	0.4
78.95783	1.3
78.98469	5.6
79.95609	10.0
80.96394	67.4
81.03319	1.0
83.01273	0.6
85.02825	3.2
87.00744	3.6
89.02287	0.8
94.97963	15.6
96.95891	2.5
97.02832	1.6
99.00765	1.3
101.02327	2.6
106.97969	2.7
107.01241	0.5
107.85606	0.4
111.04403	1.4
113.02382	1.0
119.08538	1.0
122.97464	2.8
125.02348	3.1
127.03888	0.5
127.55085	0.4
133.02870	0.7
134.97473	4.8
135.04404	1.7
136.99026	1.3
146.97476	0.5
148.99060	6.2
152.98546	6.0
153.01823	0.6
161.02374	3.1
163.07501	0.5
164.98560	12.0
177.15347	0.4
178.99918	0.8
179.03386	1.8
181.08585	3.2
183.13875	5.6
206.99582	2.5
225.00708	21.0
226.00867	0.5
227.12859	0.7
241.00294	0.6
285.04025	2.2
299.04568	2.5
327.14389	0.9
329.27740	0.5
345.15475	1.1
365.15897	0.9
447.09274	0.4
470.44193	0.5
483.18683	1.1
497.23831	0.7
509.23630	0.6
527.18024	100.0
528.18414	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	527.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97774	0.3
57.03333	0.5
59.01256	3.5
61.98702	0.9
63.96116	1.3
69.03327	1.1
71.00897	0.6
71.01264	9.0
71.54413	0.3
72.60462	0.4
72.99176	0.6
73.02814	2.1
74.38876	0.3
78.98466	6.6
79.95610	9.8
80.96395	65.1
81.03345	0.6
85.02827	3.0
87.00763	3.2
89.02310	1.0
94.97971	15.8
95.01277	1.0
96.95899	1.0
97.02850	1.3
99.00767	1.0
101.02344	3.3
106.97989	3.3
109.02833	0.5
111.00732	0.3
111.04404	0.4
113.02319	1.3
119.04926	0.6
122.97489	5.8
123.04410	0.4
125.02342	4.1
126.93429	0.3
127.03915	0.9
134.03667	0.4
134.97475	4.7
135.04420	0.8
136.99005	1.3
137.02396	0.5
148.99051	6.4
152.98547	7.4
153.01932	0.5
161.02278	0.8
164.98567	12.5
166.99896	0.4
178.99950	0.5
179.03445	0.7
182.99634	2.5
183.13846	5.6
188.98473	0.5
206.99600	3.3
209.11716	0.4
225.00720	21.8
226.01143	0.7
227.12924	0.7
229.69485	0.4
243.01773	1.6
271.02722	0.4
289.07050	0.4
299.04437	2.7
315.08240	0.4
317.05548	0.4
357.01428	0.4
451.17596	0.5
483.18872	0.6
527.18091	100.0
528.18384	11.9
538.55438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.156
Annotation	CHEBI:66839
Peak:m/z	Relative Intensity
50.02924	0.8
53.11549	0.7
53.44874	0.8
54.87315	0.9
54.87596	0.8
59.01239	3.6
61.98691	0.9
62.40897	0.8
65.00229	0.9
71.01260	2.1
73.02798	0.9
89.02312	1.5
93.38494	1.0
101.02344	1.2
108.02052	1.0
109.02853	7.9
113.80881	0.7
117.03275	0.8
121.02842	5.5
121.06554	0.9
121.62029	0.8
126.10424	0.8
139.03868	1.4
143.04938	1.0
145.06525	1.1
147.00752	0.8
148.01569	2.6
149.02336	2.8
161.02335	2.5
163.07556	2.7
163.11235	1.1
171.10242	2.0
174.03174	1.2
175.00282	6.9
177.01837	1.0
183.13783	2.7
187.00264	0.9
187.03947	1.6
187.07582	2.8
189.01945	1.1
197.11736	1.1
198.03197	1.0
199.03979	0.9
199.07532	1.4
201.01930	3.2
202.99950	1.0
209.11617	1.0
211.03952	2.0
213.01907	1.7
214.02637	1.6
215.03459	3.6
225.05600	1.4
225.11314	2.5
227.03531	2.7
228.03981	1.0
229.01425	0.9
231.06602	14.0
239.03339	1.5
240.04269	1.1
242.02234	2.2
243.06551	5.5
244.07413	1.9
248.04738	1.6
251.03499	1.9
253.05090	1.5
253.09273	6.7
255.02910	4.7
256.03714	2.5
259.06055	3.5
263.03732	1.0
263.20145	3.3
265.04993	5.3
267.03009	3.2
270.01709	2.0
271.02292	1.1
273.18625	2.6
278.05862	1.7
279.02972	2.6
279.06604	4.5
280.03857	1.8
282.01633	2.7
283.02487	11.9
284.03238	4.5
291.19684	25.6
293.04721	4.7
293.07675	1.2
295.02505	8.4
295.05923	1.2
296.03189	3.8
297.03952	4.3
306.05005	1.1
307.09760	2.6
308.03284	1.8
309.03970	2.2
309.11111	1.4
311.01929	2.8
312.02582	1.0
323.05612	6.9
323.09283	2.3
324.02881	1.0
325.03516	6.8
325.10770	1.2
335.09418	4.0
351.05075	3.1
351.08835	4.9
352.09412	1.3
353.10379	10.6
380.09015	89.3
381.09775	100.0
382.10144	8.6
414.12045	1.1
509.27151	1.1
527.15607	95.2
527.28699	3.5
528.15936	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	527.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47993	0.6
52.78107	0.7
59.01257	2.2
61.53862	0.7
71.01273	2.0
71.57970	1.1
72.23543	0.6
74.54695	0.6
78.95767	0.8
85.02866	0.9
93.03345	1.3
109.02822	5.1
113.57635	0.6
121.02855	10.2
137.37614	0.6
139.03864	1.0
145.06485	0.9
149.02412	1.7
157.02853	4.5
161.02368	0.6
163.07565	2.2
165.12834	0.9
174.03062	0.9
175.00273	4.8
183.13858	1.0
184.92761	0.6
187.04083	0.8
187.07605	1.5
199.13448	0.7
201.01878	28.7
202.02361	1.5
214.02794	0.9
215.03339	0.7
225.05592	0.7
229.01401	2.5
229.05141	1.0
231.06587	4.9
239.03381	1.2
240.04349	1.0
243.02985	0.9
243.06622	1.4
253.04996	1.1
253.09227	1.5
255.03020	1.4
259.06110	1.2
267.03058	1.0
268.03476	0.7
269.04477	1.7
279.03192	1.2
283.02545	3.0
284.02979	1.5
285.03708	1.4
291.19659	10.1
295.02582	5.8
295.05811	1.2
296.02914	0.8
297.04089	3.4
305.04886	0.9
307.06042	0.9
309.04184	1.3
309.20862	1.1
323.05725	3.5
323.09143	1.1
325.03546	7.9
325.10873	1.0
326.03723	0.9
335.09207	3.4
351.05093	31.9
351.08777	2.8
352.05276	3.1
353.10522	1.4
363.08780	1.2
365.06775	0.8
379.08185	1.1
380.09003	64.0
381.09769	100.0
382.10144	9.8
527.15588	64.4
527.28705	3.2
528.15924	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	525.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.5
59.01253	17.3
67.01765	1.3
71.01254	30.0
71.57946	2.2
72.99187	7.8
73.02834	3.7
75.00751	21.4
83.01254	3.6
85.02826	28.8
87.00732	7.3
89.02335	7.6
93.03336	1.6
95.01284	4.2
99.00766	8.3
101.02352	8.5
111.00786	2.0
113.02341	27.9
115.00246	2.8
116.87560	1.1
117.01829	1.9
119.04956	1.9
125.02336	2.0
127.07487	1.5
129.01834	1.6
130.70815	1.3
131.03384	2.4
136.61960	1.3
143.10693	2.2
150.03116	1.2
156.71631	1.4
157.01352	1.3
173.04543	1.8
175.02419	5.2
191.05450	2.2
193.03485	12.7
235.04628	6.2
246.27557	1.2
249.05847	1.4
337.07684	7.4
338.53085	1.4
355.08963	2.0
452.38797	1.3
525.21936	100.0
526.22491	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	525.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.0
57.03329	9.7
59.01255	77.2
60.01593	0.9
61.98694	1.2
69.03331	15.4
69.48196	0.6
69.52889	4.5
71.01263	10.5
73.02841	3.5
75.00770	0.9
75.95371	0.5
78.95769	2.1
81.03336	22.0
83.01263	1.4
85.02827	4.5
89.02314	1.2
95.01270	1.5
97.06503	0.6
98.20571	0.6
99.00761	1.7
101.02322	5.6
109.06464	1.9
113.02354	4.7
125.09621	42.0
126.09974	1.9
151.07564	16.7
152.07941	1.1
159.02901	0.8
161.04501	3.8
169.08624	100.0
170.08957	3.4
171.10168	0.9
179.03430	0.7
193.08644	1.4
209.11882	1.1
231.08214	1.1
237.30788	0.6
253.09142	0.9
275.20276	1.0
278.21844	0.7
289.18143	4.2
329.23151	0.8
331.17673	5.2
332.17783	0.9
339.92661	0.7
362.90259	0.6
442.41748	0.7
450.16879	2.9
486.15244	0.8
525.26807	2.3
526.27789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
56.10762	0.5
57.03329	4.0
59.01257	13.7
61.91283	0.5
67.24306	0.6
69.03316	0.7
71.01264	18.1
71.56351	0.5
71.56792	0.9
72.01608	1.1
72.99191	4.6
73.02818	2.4
75.00415	0.5
75.00752	16.0
83.01253	3.0
85.02832	23.8
87.00759	6.4
89.02333	5.0
95.01258	3.5
97.02828	0.8
99.00763	7.6
99.04375	0.6
101.02324	4.8
103.00247	1.1
111.00774	6.7
113.02346	23.4
114.02678	0.6
115.00273	2.3
117.01817	2.4
119.03387	1.3
123.00687	0.6
129.01826	1.7
131.03407	0.7
137.02344	0.6
157.01366	1.3
159.02997	0.8
161.04453	0.6
173.04565	0.8
175.02451	3.6
180.23366	0.6
187.13313	0.8
193.03368	0.7
335.06262	3.4
507.20599	0.7
525.21924	100.0
526.14575	0.5
526.22198	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03331	2.3
59.01257	6.5
59.39721	0.4
60.18203	0.4
60.98739	0.4
62.81530	0.4
69.03309	0.5
69.33771	3.1
69.34193	0.9
71.01254	9.4
72.99170	1.9
73.02820	1.1
75.00752	10.8
78.26496	0.4
83.01256	1.7
85.02823	12.0
86.03172	0.5
87.00750	3.0
89.02335	2.7
95.01272	2.1
99.00752	5.0
101.02324	2.5
103.00259	0.7
111.00761	3.7
113.02331	14.6
115.00251	0.9
117.01822	0.4
119.03386	0.7
129.01836	1.7
131.03438	0.5
157.01321	1.1
159.02876	0.6
161.04434	0.6
175.02396	2.9
187.13274	0.7
242.29961	0.5
313.67014	0.4
335.06216	4.1
349.18832	0.9
454.40076	0.5
525.21863	100.0
526.22253	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	525.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
59.01255	15.9
61.98693	1.6
68.99712	0.6
69.03322	1.2
69.29181	5.9
71.01265	6.8
72.99192	0.6
73.02823	1.3
75.00748	0.8
76.43925	0.5
78.95781	3.3
80.96417	0.8
81.03340	1.4
83.01257	0.6
85.02829	5.9
89.02335	1.1
89.72543	0.6
93.03332	0.8
95.01261	4.4
96.96799	0.8
97.02874	0.6
97.06513	0.8
99.00761	1.4
101.02335	1.9
101.08060	0.6
108.02058	77.9
109.02853	40.2
110.03168	1.3
111.08062	0.9
113.02336	2.2
121.02839	1.2
121.53079	0.6
123.00772	2.4
134.03638	0.7
136.07700	0.6
137.02229	0.8
151.03918	1.3
152.01067	76.6
152.99460	1.8
153.01862	23.9
154.02200	0.6
160.01579	1.0
161.04533	1.3
163.03940	2.2
165.12791	5.4
171.10106	0.8
179.03397	0.6
181.12212	0.8
183.13834	11.7
190.89128	0.6
204.00845	0.6
209.11818	3.5
209.13556	0.5
227.12846	1.8
233.11861	0.7
241.01230	0.8
251.12822	0.8
252.16365	0.6
289.18054	1.7
293.13782	0.7
297.05862	0.5
315.07211	6.2
363.18137	0.7
374.31467	0.6
409.73804	0.7
419.32321	0.6
424.56702	0.6
450.16467	1.3
473.89987	0.5
481.20645	5.9
507.18643	9.0
508.19391	0.8
525.19788	100.0
526.20166	15.1
526.27014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55570	0.5
57.03281	0.7
59.01258	2.6
63.96104	0.6
69.03308	0.9
69.12142	0.5
69.51058	0.4
69.58134	2.2
69.58572	1.7
71.01254	8.2
72.99163	0.9
73.02818	2.3
75.00718	0.8
78.98463	5.0
79.58156	0.6
79.95604	8.6
80.96394	61.6
81.03321	0.9
83.01267	0.7
85.02841	3.7
87.00749	3.3
94.97381	1.0
94.97968	15.7
95.01276	0.6
96.95885	1.2
97.02829	2.1
99.00761	1.1
99.04418	0.5
101.02343	2.8
106.97948	2.2
109.02877	0.6
110.77233	0.5
111.55029	0.5
113.02335	1.5
114.02333	0.5
116.73648	0.5
122.97489	4.9
125.02363	2.9
127.03889	0.7
134.97459	4.2
136.99017	1.7
148.99054	6.1
150.03123	0.7
152.98528	6.7
163.03966	0.8
164.98546	11.8
181.12337	0.6
182.99620	2.8
183.01044	0.5
189.89932	0.6
206.99586	4.5
207.08513	0.5
207.10182	3.1
225.00697	20.5
225.11275	3.1
226.01044	0.9
243.01743	1.8
299.04388	2.4
355.74664	0.6
376.91199	0.5
477.19070	0.9
525.16455	100.0
526.16785	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	525.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61889	0.6
57.03328	1.1
59.01258	8.1
61.98713	5.6
69.03324	5.7
71.01271	5.7
73.02797	1.0
75.00739	1.6
78.95797	1.2
80.96404	1.0
81.03317	1.5
83.01257	2.2
85.02819	3.6
87.00742	1.1
88.98691	1.5
89.02325	1.2
91.70355	0.7
93.15941	0.7
95.01264	3.2
95.70267	0.7
97.02829	4.4
97.34326	0.7
99.00770	0.9
101.02337	2.3
103.03873	7.9
107.01283	1.7
108.02050	1.3
109.02863	1.8
111.00761	1.0
113.02360	3.6
119.04904	1.4
121.02801	1.1
123.00779	11.2
123.04385	1.3
124.01563	24.0
125.02347	63.1
126.02670	2.0
128.03453	0.9
135.04375	1.4
136.01483	1.0
137.02361	4.4
139.03909	1.1
141.01874	0.8
145.02789	0.8
145.06465	1.8
149.02339	1.2
149.99506	38.6
150.03061	1.1
151.00235	3.4
152.99474	1.9
153.05470	4.2
160.01575	0.9
163.00192	0.8
165.05461	1.2
166.99724	1.9
167.03412	1.3
168.00566	64.6
169.01331	12.4
170.01613	0.8
181.08620	1.5
191.05414	0.7
209.11710	0.9
211.06055	3.2
233.52068	0.9
244.74411	0.8
258.67285	0.8
261.11145	1.2
274.55417	0.8
313.05597	2.9
360.71008	0.7
439.21899	0.9
447.18500	1.0
477.19617	1.6
507.11209	2.7
524.35150	2.6
525.12469	100.0
525.25256	4.9
526.12628	11.9
528.97461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64285	0.3
55.01563	0.3
55.01759	3.5
56.87752	0.3
57.03321	4.9
58.00455	0.8
59.01251	22.8
61.98691	0.6
68.99690	0.6
69.03317	1.5
71.01253	29.7
71.04872	0.4
72.01582	0.9
72.99180	2.8
73.02815	11.0
75.00755	3.6
78.95763	0.6
83.00795	0.7
83.01257	7.0
84.08707	0.4
85.02823	17.1
85.99972	0.9
86.03149	0.7
87.00742	3.3
87.04387	1.4
89.02322	4.0
93.03340	0.7
93.89207	0.4
95.01260	3.1
97.02808	0.8
99.00758	5.7
101.02323	23.9
102.02673	0.5
109.02826	1.1
111.00759	5.4
111.04358	0.4
113.02325	11.7
114.02686	0.7
115.00284	0.4
119.03393	1.0
119.04917	1.0
121.02824	0.5
123.07990	0.6
125.02326	1.1
125.09567	0.4
127.11150	0.5
129.01836	1.6
132.02055	0.6
133.02931	0.5
134.03621	0.9
135.04356	0.5
137.02321	1.0
137.09596	0.8
139.11172	0.7
141.01822	0.5
141.12750	0.5
143.03369	1.0
149.02333	1.4
155.10712	1.0
157.12265	1.7
159.02890	2.8
160.01572	0.8
160.04536	0.4
161.04466	4.0
163.03918	0.6
164.04678	1.2
166.00995	0.4
169.12202	0.7
171.13869	0.9
175.02351	0.5
175.03925	1.2
179.03323	0.9
185.02133	0.8
187.13338	2.8
188.03546	0.4
199.09679	1.0
199.13344	0.4
201.14828	1.8
223.05997	2.6
228.57068	0.4
230.15157	0.4
249.06084	0.9
267.07169	0.4
271.19089	1.3
272.19669	0.9
273.19684	1.5
315.25351	1.1
341.26828	0.5
359.27863	2.0
361.29587	24.4
362.29895	2.4
377.30231	0.4
407.07785	0.8
467.76581	0.4
505.15378	0.7
506.15784	0.4
523.34814	100.0
524.18195	0.8
524.27576	0.7
524.35162	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	523.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96061	0.2
55.01763	0.3
57.03324	0.7
57.18253	0.2
59.01255	47.3
60.01597	0.4
65.30002	0.2
69.03336	1.2
71.01259	8.9
71.04899	5.3
71.57588	0.3
71.57966	0.3
72.99194	0.3
73.02822	5.0
75.00773	0.6
81.03342	0.3
83.01271	1.5
83.04901	1.1
84.00143	0.2
85.02837	2.7
87.00763	0.4
89.02332	0.6
97.02773	0.2
99.00764	0.7
99.08035	0.7
100.40122	0.2
101.02336	4.2
107.01250	0.4
111.90021	0.3
113.02328	2.5
124.05844	0.2
125.02386	0.4
125.06029	0.2
127.03919	0.3
134.03664	0.7
135.04451	1.4
137.39467	0.2
143.03389	0.5
145.02861	0.4
151.00304	1.4
153.79486	0.2
161.02303	0.3
161.04497	1.7
161.09622	0.4
163.11183	1.8
177.09106	0.7
177.12778	1.0
178.99799	0.3
179.03391	0.5
183.04301	0.4
187.03987	0.4
189.01743	0.3
191.14365	0.9
199.03995	1.2
203.05528	2.4
203.14368	3.1
204.11513	7.7
204.14565	0.4
205.12273	9.4
205.16003	0.9
206.12640	0.6
209.07948	0.4
210.35683	0.2
214.02626	0.5
215.03316	0.5
215.08485	0.3
215.14404	0.4
219.13860	1.0
219.17491	0.9
220.14531	0.5
221.15451	7.8
221.19019	1.0
222.15797	0.5
227.03470	1.3
231.17511	4.5
233.15471	4.6
234.15811	0.4
241.01358	2.0
242.02002	1.3
243.02972	3.3
245.00893	1.4
247.09891	0.3
249.18576	2.5
255.03015	2.4
256.03793	0.3
270.01709	4.7
271.02478	6.0
272.02939	0.7
275.20157	0.7
282.01715	1.0
283.20636	0.3
285.04083	1.4
291.23260	0.6
298.01276	1.3
299.01981	12.3
300.02679	4.5
301.03503	0.8
301.21713	3.4
303.19705	6.3
304.19965	0.7
313.03561	14.3
314.04263	8.4
314.07852	0.6
315.05045	3.0
315.08487	0.5
316.05508	0.3
317.20993	0.3
319.22787	100.0
320.23148	11.8
320.27039	0.3
463.27106	1.3
481.28400	0.5
493.11237	0.6
505.11630	1.2
506.11484	0.4
523.29047	3.3
524.29138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89951	0.8
56.21375	0.9
59.01260	7.3
60.41656	0.8
69.33121	1.4
69.33522	8.7
71.01264	2.7
78.95786	6.4
80.96390	1.3
101.02338	1.4
111.23939	0.9
117.03384	1.1
133.02866	22.5
134.03677	9.2
135.04434	45.4
136.04805	1.6
137.02333	6.8
139.03899	2.2
152.99503	8.9
161.02371	83.3
162.02756	4.0
166.20499	1.0
178.02643	1.3
179.03442	19.4
180.03802	1.7
195.13838	7.5
206.28200	1.0
235.05954	1.4
245.04445	1.5
277.21838	7.9
282.14154	0.9
287.22379	6.6
295.22815	53.9
296.23102	5.8
334.62405	1.0
431.24399	34.8
432.24847	5.0
449.25427	20.3
450.26062	2.9
523.29028	100.0
524.29364	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.3
57.03327	0.9
59.01255	49.0
60.01585	0.5
65.96719	0.3
69.03338	1.7
70.82468	0.3
71.01259	9.5
71.04893	5.3
71.05248	0.5
72.99188	0.3
73.02821	5.3
76.98456	0.3
81.03340	0.3
83.01263	1.7
83.04905	0.9
85.02829	1.9
86.22911	0.3
89.02334	0.7
94.44663	0.2
95.04950	0.3
97.02847	0.5
99.00762	0.9
99.08028	0.6
101.02342	4.0
103.39355	0.3
113.02343	1.5
125.02351	0.4
135.04466	0.8
143.03484	0.3
151.11171	0.5
161.04477	1.5
163.11221	1.9
177.09117	0.5
177.12784	1.1
189.12863	0.6
191.14330	0.8
202.09958	0.4
203.05521	2.5
203.10707	0.4
203.14340	2.7
204.05946	0.3
204.11508	7.7
205.12291	10.3
205.15784	1.4
206.12804	0.4
209.11758	0.4
215.14372	0.4
219.13878	1.1
219.17493	0.9
220.14693	0.3
221.12053	0.4
221.15457	8.7
221.19054	1.0
222.15808	0.7
229.15964	0.5
231.17548	3.9
232.17856	0.3
233.15460	4.4
234.15881	0.5
249.18648	2.4
275.20123	0.7
281.12079	0.3
283.20853	0.4
291.23309	1.0
298.09152	0.3
301.21774	2.9
302.22159	0.4
303.19656	6.3
303.23090	0.4
304.20193	1.0
319.22794	100.0
320.23117	12.8
320.28857	0.3
463.26935	1.0
481.27945	0.6
523.29102	2.8
524.29102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18009	0.3
57.03331	0.5
59.01264	2.4
65.55428	0.3
71.01264	0.7
71.57907	0.4
78.95782	12.8
96.96851	1.2
97.06490	0.4
99.08061	0.4
113.09619	2.6
120.49738	0.4
127.56743	0.4
152.99506	14.9
153.99799	0.3
161.02444	0.4
171.00613	1.7
177.12814	0.8
179.14363	1.4
181.12230	0.4
195.13847	20.4
196.14171	1.1
227.03200	1.5
245.04231	2.6
251.23662	0.6
252.72943	0.3
259.20905	0.4
277.21729	16.9
278.22147	1.5
295.22787	100.0
296.23123	9.8
296.25754	0.3
354.04721	0.3
358.84592	0.3
463.26953	0.5
523.26794	46.1
524.27234	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	523.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74401	0.7
57.03334	1.2
59.01263	3.2
69.24423	0.7
71.01272	1.2
78.04549	0.6
78.95781	37.0
80.73625	0.7
80.74143	0.7
80.80573	0.7
85.43543	0.7
96.96866	2.6
97.06479	0.8
106.53825	0.8
113.09639	3.3
133.02841	1.2
135.04448	1.5
145.02953	0.9
150.97905	1.1
152.99506	53.0
153.99870	1.0
161.02382	2.6
168.82860	0.7
171.00626	3.9
179.03502	1.2
179.14380	0.9
181.12172	1.2
195.13863	26.8
196.14250	1.1
227.03249	5.8
245.04298	2.0
277.21738	20.6
278.21994	1.7
293.21347	0.9
295.22809	100.0
296.23096	9.2
346.30875	0.9
431.22363	2.5
449.23956	1.2
478.12659	0.8
523.26819	94.5
524.27167	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	523.2191
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.78768	0.4
59.01248	5.0
64.81379	0.4
69.75471	3.1
71.01258	5.1
72.99177	1.1
73.02819	1.0
75.00749	4.1
85.02822	4.5
87.00734	1.6
89.02312	1.3
93.03338	1.8
95.01241	0.7
99.00762	1.5
100.07706	0.5
101.02307	1.8
108.02094	0.5
109.02843	5.3
111.04419	0.5
113.02342	4.9
119.04916	0.7
121.02840	14.0
122.02825	0.9
122.03637	12.6
123.04379	1.8
124.01560	1.5
129.03391	0.5
134.03578	0.8
135.04430	1.9
136.05200	0.7
137.02338	2.2
147.04398	6.1
148.05171	0.9
149.05977	0.7
154.02592	1.5
159.04399	0.6
160.05180	0.5
161.04663	0.5
161.05939	2.6
163.03868	0.6
164.04660	0.8
165.05498	21.8
166.05814	1.1
175.02438	0.7
175.07574	0.7
178.06247	0.6
179.05600	0.4
179.07056	7.8
188.62849	0.4
191.07066	0.6
209.08124	0.7
223.09669	1.0
248.38560	0.5
298.12125	0.8
301.11072	0.5
313.14502	0.7
315.12271	2.3
316.12695	0.6
331.15280	0.6
332.83231	0.4
340.63165	0.5
346.14243	6.1
361.16565	100.0
362.16934	12.3
409.33447	0.5
479.17587	5.5
505.19370	0.6
523.20313	6.6
523.27423	1.1
524.20898	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18892	0.9
55.01747	3.0
55.01992	0.8
55.31868	0.7
57.03328	9.7
57.82343	0.8
58.00463	2.4
59.01254	50.7
61.98695	1.3
67.01769	1.4
68.99691	2.0
69.03326	3.3
71.01255	69.8
71.58339	1.5
72.01598	1.4
72.74946	0.8
72.99187	8.4
73.02822	12.7
75.00748	16.4
78.95774	1.4
81.03321	1.3
83.01266	6.5
83.04892	0.8
85.02826	47.2
85.06455	2.7
87.00755	14.6
87.04414	1.1
89.02323	19.7
91.03868	1.2
93.03336	2.3
95.01266	8.0
95.71602	0.7
97.02827	1.9
99.00761	14.4
101.02327	26.9
102.02640	0.8
103.00249	3.0
109.02840	1.3
109.06460	1.0
111.00786	3.5
111.04369	1.5
112.01540	1.4
113.02335	51.2
113.05914	0.7
113.09611	1.0
114.02671	2.1
115.00234	1.6
115.07504	1.1
117.01830	2.4
119.03411	4.1
123.00745	1.1
125.02322	1.5
125.09587	0.8
127.11225	0.8
129.01859	4.0
131.03407	2.1
134.03627	0.8
135.09344	0.7
135.30374	0.6
137.02310	2.4
137.09644	1.0
140.70953	0.6
141.09122	2.9
143.03389	1.7
143.10661	2.0
145.02872	0.9
148.79497	0.8
149.02332	1.0
149.04445	0.9
150.03110	1.1
153.12761	1.0
155.10690	0.9
157.01297	0.9
157.12276	2.6
159.02913	1.8
161.04433	4.3
165.50406	0.7
175.02428	2.8
175.03879	1.3
179.05602	1.6
181.08652	0.8
185.09746	1.0
187.13345	1.3
193.09589	0.8
193.15919	1.5
199.09642	1.1
205.07118	1.5
207.05109	2.1
223.05966	1.7
249.06128	16.2
255.16081	1.5
257.21304	1.8
267.07208	100.0
268.07544	5.4
269.21082	1.4
271.22830	1.2
273.17044	3.3
287.22339	13.0
288.22568	1.0
315.25345	1.4
316.16864	1.1
317.17551	1.5
359.28006	2.2
361.29593	21.6
362.30005	1.9
431.26413	13.2
432.27264	0.9
449.27509	19.2
450.27838	2.0
523.23969	51.3
523.34808	89.5
524.24530	6.4
524.35077	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2186
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01765	2.4
57.03310	1.5
58.00465	0.8
59.01256	27.1
60.99191	0.7
70.89394	1.9
71.01255	19.9
72.99181	1.6
73.02817	4.1
82.78291	0.7
83.01270	4.0
85.02824	9.9
85.84768	0.7
85.99940	0.8
87.00757	2.8
88.98666	4.3
89.02326	8.3
93.03355	0.7
95.01286	2.1
99.00729	1.5
101.02332	15.1
105.18343	0.6
106.20687	0.7
109.02857	4.3
111.00792	1.5
113.02345	7.6
119.03405	4.2
121.02857	10.5
122.03646	12.3
122.73254	0.6
123.04424	2.2
124.01508	1.1
125.02325	0.9
129.03372	0.9
134.03665	1.1
135.04411	2.8
136.05223	1.4
137.02356	2.9
139.01678	0.7
143.03369	1.0
147.04431	6.7
149.06033	1.0
154.02609	2.0
155.72661	0.7
159.02869	0.9
161.04779	0.7
161.05978	3.3
163.03893	0.7
165.05490	27.3
166.05904	0.7
174.83208	0.7
178.06297	1.0
179.07034	8.7
191.07089	1.8
223.09839	1.4
271.02512	0.9
297.60315	0.7
298.12173	1.9
299.12915	0.7
300.02789	3.0
301.03369	1.1
313.14514	1.6
315.12418	1.9
328.13235	2.1
329.13916	1.2
331.15860	0.8
335.51343	0.8
343.15549	6.9
346.14218	11.2
347.14871	2.8
361.16577	100.0
362.16901	10.9
433.07889	3.9
451.25253	1.0
475.80042	0.8
523.21869	87.5
524.22253	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.8
57.03329	5.1
59.01255	34.5
61.59725	0.9
61.98690	1.0
64.69181	1.1
68.99660	1.2
69.03308	2.8
71.01258	48.5
71.58054	1.4
72.99182	14.7
73.02826	9.6
75.00751	37.5
78.95772	3.8
82.02829	0.9
82.07419	0.9
83.01248	6.7
83.04928	1.2
85.02827	40.2
87.00310	1.2
87.00764	16.3
89.02328	14.1
93.03300	1.4
95.01255	6.3
97.02822	3.9
99.00757	14.0
101.02327	18.1
103.00240	4.0
103.03883	1.3
108.02067	1.4
109.02812	1.4
111.00787	5.8
113.02340	46.7
114.02659	1.4
115.00283	4.5
117.01801	2.9
119.03384	4.4
119.04879	1.9
129.01802	2.8
131.03389	4.5
137.02382	1.4
140.57059	1.0
145.02837	1.1
151.03824	1.5
152.07042	1.3
152.99452	1.4
157.01329	2.2
159.02875	2.3
160.01532	3.8
161.04404	2.8
163.03737	1.5
173.04468	6.4
175.02364	5.5
175.03920	2.9
183.13701	1.0
191.05501	2.4
193.03477	20.6
193.05081	0.9
194.85582	1.0
233.06561	1.2
235.04536	8.8
259.22247	1.1
335.05951	1.9
337.07745	10.7
355.08832	5.6
361.29590	7.3
375.27426	2.1
505.19339	2.3
522.33313	1.7
523.20239	100.0
523.34790	22.1
524.20514	14.7
524.34387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20226	0.7
55.01752	2.1
55.48476	0.7
57.03319	6.3
58.00442	1.1
59.01255	32.2
61.98682	1.6
67.01756	1.1
67.11407	0.7
68.99667	0.8
69.03325	2.1
71.01256	46.5
71.57442	1.2
72.01572	1.0
72.99181	12.3
73.02820	7.5
73.31326	0.8
75.00745	36.0
78.95801	0.9
83.01263	7.7
83.04894	1.1
84.84126	0.8
85.02823	39.5
87.00751	16.9
89.02326	13.2
89.43772	0.6
93.03326	0.9
95.01263	7.5
97.02825	2.6
99.00758	15.5
101.02325	17.3
103.00240	3.1
109.02825	0.9
111.00767	6.8
113.02335	49.3
115.00248	3.0
115.03855	0.9
116.86482	0.7
117.01820	1.9
119.03392	3.6
122.06010	0.8
125.02304	1.2
125.09592	0.9
128.70726	0.8
129.01843	4.4
131.03415	4.7
135.04387	1.4
137.02304	0.9
141.01833	1.1
143.03419	1.1
151.03889	0.9
157.01324	2.4
159.02887	1.3
160.01552	1.2
161.04460	2.1
163.02483	0.9
163.03870	0.7
173.04480	5.7
175.02400	6.2
175.03793	1.7
180.60524	0.8
185.11763	0.9
191.05504	1.8
193.03467	20.8
193.04922	0.8
194.03799	1.1
195.63248	0.7
235.04544	8.5
267.07138	2.8
335.06110	3.4
337.07803	9.8
347.17102	1.3
355.08783	5.1
356.08948	1.1
361.16605	1.5
361.29691	7.3
463.24954	1.8
505.19482	3.9
523.20245	100.0
523.34894	17.3
524.20428	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	523.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.5
63.96099	0.9
67.02741	0.4
69.03321	0.5
70.54126	0.8
70.54534	0.8
71.01259	7.3
73.02808	2.1
78.98466	5.2
79.95607	8.0
80.96394	56.9
81.03320	0.6
83.01244	1.0
85.02821	3.1
86.15804	0.4
87.00761	3.0
89.02305	0.5
94.97962	14.0
95.01297	0.5
96.95902	1.1
97.02830	1.7
99.00792	0.4
101.02332	3.6
106.97972	2.9
113.02358	1.1
113.93802	0.4
119.03384	0.5
122.97479	4.6
125.02351	2.8
127.03878	0.9
134.97461	3.6
136.99039	1.3
143.03381	0.5
146.97469	0.5
148.99042	4.8
152.98541	6.7
164.98552	10.9
167.00151	0.6
167.88010	0.4
176.98668	0.4
177.03304	0.4
182.99590	3.1
195.13824	0.7
206.99677	3.4
223.13260	2.1
224.13689	0.4
225.00699	17.4
226.00937	0.8
243.01759	2.1
278.96140	0.4
287.22284	1.7
299.04459	2.5
361.29779	0.9
372.30383	0.4
431.26324	2.5
432.77090	0.4
449.27588	3.2
523.18561	100.0
524.18848	15.4
524.35425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03316	1.3
59.01259	4.6
68.17520	0.5
69.34125	6.0
71.01254	9.1
72.99162	1.3
73.02818	1.4
75.00751	10.7
77.54513	0.5
80.50549	0.6
83.01244	1.0
85.02822	10.3
87.00773	2.8
87.58310	0.5
88.84446	0.5
89.02325	1.5
95.01246	0.9
98.42496	0.5
99.00761	3.7
101.02317	2.5
111.65238	0.6
112.33568	0.5
113.02329	11.8
115.00253	1.0
129.01779	0.6
146.42967	0.6
157.01402	1.0
175.02380	3.0
347.17194	1.2
363.04102	0.5
505.18961	0.8
515.18713	0.5
523.20313	100.0
524.20569	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	523.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.6
57.03328	0.6
59.01255	11.2
60.01597	0.4
61.98706	0.7
62.44014	0.4
63.96108	1.1
64.42419	0.4
67.16922	0.4
69.03333	0.9
71.01256	12.7
72.01595	0.7
72.99187	1.5
73.02821	2.4
75.00758	1.2
78.95779	0.8
78.98472	5.1
79.95608	9.5
80.96392	64.1
81.03323	0.7
83.01263	1.0
85.02821	5.9
87.00757	3.6
89.02331	3.8
94.97961	14.8
95.01276	1.6
96.95885	1.1
97.02835	2.1
99.00745	0.9
101.02325	6.2
102.02669	0.5
106.97976	2.9
108.02048	1.0
109.02870	1.1
113.02331	4.3
114.02687	0.4
119.03400	1.3
119.04932	1.0
120.74290	0.4
122.97478	3.4
125.02365	2.9
127.03877	0.7
134.97482	4.8
135.04404	0.9
136.99037	1.6
143.03410	0.8
143.04568	0.5
146.97456	0.5
148.99045	6.2
152.01019	0.6
152.98549	4.6
154.01332	0.7
161.04492	1.3
164.98547	11.5
177.03429	0.5
179.05496	0.6
185.11757	0.8
193.06528	0.5
197.11789	0.9
206.99590	2.0
223.13309	1.8
225.00688	14.1
253.09245	2.4
269.21310	0.5
287.22287	13.4
288.22589	0.6
299.04352	2.9
309.20853	0.6
327.21591	1.1
360.28296	1.0
361.29477	1.1
449.27493	0.6
522.33752	1.6
523.18475	100.0
523.34668	3.4
524.18951	14.7
524.26593	1.5
525.26459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	21.1
63.30624	0.8
65.00195	1.4
70.89353	1.5
70.89689	1.6
71.01260	4.3
71.04890	2.3
73.02825	1.8
73.38603	0.8
80.22070	0.7
83.01272	1.8
85.02817	1.3
99.07990	0.9
101.02338	1.4
107.01295	2.7
134.03677	1.7
135.04433	5.1
139.05482	1.0
145.02838	1.4
147.00780	1.0
149.02310	1.0
151.00298	10.0
155.04955	1.6
157.02821	1.4
159.04550	1.4
161.02359	1.4
169.02942	1.3
171.04489	1.3
173.97258	0.9
178.99843	1.8
183.04407	3.2
185.02342	0.9
186.03192	1.7
187.04033	1.0
194.05742	1.3
199.03987	10.8
201.01895	0.9
203.03375	1.0
204.11520	3.4
205.12312	3.9
209.08206	2.0
214.02676	3.9
215.03436	2.9
216.00607	1.0
221.15466	3.5
227.03458	7.0
231.17456	2.0
233.15489	2.5
239.03494	1.1
241.01413	13.9
241.03641	1.5
242.02115	10.8
243.02957	19.6
244.03387	1.7
245.00899	9.2
249.18571	1.2
254.02072	2.0
255.02972	16.2
270.01697	31.3
270.61194	0.8
271.02493	37.7
272.02890	2.9
282.01727	4.2
285.04095	11.2
286.04453	1.2
298.01172	9.4
299.01981	82.8
300.02667	31.5
301.03342	6.0
303.19653	2.4
313.03558	100.0
314.04297	56.5
314.07632	1.4
315.05087	18.9
315.08563	1.1
316.05493	1.4
319.22797	43.4
320.22983	1.3
478.09717	1.0
493.11389	5.6
494.11856	1.5
505.11392	8.4
523.12384	3.1
523.28754	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	523.1246
Annotation	Mayoside
Peak:m/z	Relative Intensity
59.00990	0.8
59.01252	10.3
65.00196	2.0
66.47801	0.6
69.78531	3.7
71.01254	2.5
73.02821	0.8
78.66565	0.5
82.27338	0.5
83.01251	1.2
85.02826	1.5
89.02326	0.7
95.92788	0.5
99.00764	1.0
101.02305	1.1
103.07154	0.5
107.01266	2.5
113.02332	1.3
119.03414	0.5
119.62227	0.5
121.02861	0.7
134.03647	0.8
135.04431	2.8
143.04976	0.7
145.02856	1.4
151.00275	7.8
155.05009	1.2
157.02873	0.7
159.04446	0.5
161.02333	1.7
161.04523	0.8
167.04932	0.7
171.04427	1.2
178.99762	1.8
179.03323	0.7
182.03546	0.5
183.04448	2.4
185.02409	0.9
186.03166	1.5
187.03996	0.9
189.01776	1.7
194.05801	0.8
198.03110	1.1
199.03934	7.4
201.01888	1.2
203.03497	1.0
205.12273	0.9
211.04060	0.6
211.13469	0.6
213.01810	1.0
214.02628	4.3
215.03368	2.4
221.15508	0.8
227.03462	5.5
235.17213	0.7
240.99110	1.2
241.01392	16.4
242.02124	9.2
243.02928	14.4
245.00890	12.1
246.00980	0.8
254.02185	1.1
255.02968	15.8
256.03424	1.2
257.04453	0.6
261.03763	0.6
270.01694	34.7
271.02463	31.7
271.05478	1.1
272.02850	2.5
282.01755	5.3
285.04034	12.3
286.04269	0.8
298.01163	9.0
299.01974	57.0
300.02710	30.5
300.05624	0.4
301.03360	4.9
301.21707	1.2
313.03543	100.0
314.04260	41.6
315.05075	19.9
315.08405	0.7
316.05484	1.2
319.22769	11.1
329.06403	0.8
408.56738	0.6
435.23782	2.0
445.22226	0.9
463.27243	1.3
473.92841	0.6
481.28156	0.9
493.11392	0.8
505.11105	2.9
506.11658	1.0
523.12451	4.4
523.26221	2.6
524.11810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1248
Annotation	Mayoside
Peak:m/z	Relative Intensity
50.51504	2.5
59.01254	96.1
61.98697	22.7
65.00199	9.8
67.43358	2.3
69.03320	2.6
69.35897	10.9
69.36315	15.0
70.09795	2.3
71.01259	37.6
72.99171	4.1
73.02814	31.6
75.00750	4.0
78.95796	3.2
83.01250	19.2
85.02829	12.2
87.00743	5.5
89.02312	11.6
95.01227	2.7
97.02829	3.5
99.00769	4.0
101.02329	30.9
107.01292	16.8
109.02843	18.5
113.02332	17.6
119.03381	5.8
119.04900	3.8
122.30692	3.1
123.00813	3.1
123.04447	5.1
124.01562	3.5
125.02345	16.4
129.21260	2.8
137.02347	7.8
145.02849	4.6
151.00275	54.6
151.03838	3.3
152.01059	12.2
153.01836	18.3
161.02339	2.9
161.04410	7.7
161.81746	3.1
165.01799	5.2
169.01346	12.9
171.10120	3.0
175.03880	7.3
178.99794	35.7
179.03404	3.8
179.07230	2.5
180.00063	2.9
193.01340	6.3
203.07053	4.6
241.01474	4.1
242.02216	6.1
245.00980	3.1
245.08235	5.9
255.02965	4.2
255.17500	4.2
257.04572	3.7
263.03479	3.6
267.02991	7.3
268.03659	4.5
269.04523	7.6
270.01678	7.3
271.02405	10.7
271.05981	2.7
273.20734	5.6
279.03049	6.6
280.03711	3.7
281.04565	3.6
283.02374	3.5
285.03961	8.1
289.07181	15.7
293.04471	6.0
295.02414	5.9
295.06027	8.4
296.06818	5.7
297.04062	3.0
299.01996	10.0
300.02582	5.8
308.03339	3.4
311.05673	2.8
313.03525	25.1
314.04263	15.6
321.04080	15.8
331.06238	3.4
342.03867	6.2
346.03287	4.0
355.04556	5.8
359.05545	5.7
371.05313	4.5
375.04767	3.0
387.05066	8.5
387.14365	16.1
388.05487	4.1
392.05215	3.7
399.04742	6.9
404.05331	3.0
415.04114	4.7
416.05371	14.6
417.05786	7.0
428.05402	3.2
431.07574	9.0
435.07227	3.1
441.06131	4.5
444.04742	42.3
445.05447	14.0
447.07083	3.6
448.04330	3.9
451.28281	2.8
458.06406	3.7
459.07208	57.3
460.07925	17.9
461.08798	3.4
462.09555	5.9
463.06424	18.8
464.06744	2.9
473.08572	8.8
474.09552	93.5
475.10623	24.8
478.09045	25.0
479.09839	5.2
490.09085	11.9
493.11377	88.4
494.11752	13.1
505.11481	100.0
506.11646	18.8
520.26990	2.7
522.33624	6.1
523.12384	25.2
523.20288	5.1
523.28284	22.1
523.34784	5.4
524.12445	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	523.073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28006	3.3
55.01746	2.9
59.01256	33.4
59.59486	3.1
60.99179	16.3
69.34546	6.3
69.34950	25.9
71.01267	20.8
72.99171	3.3
75.00751	6.0
79.58821	3.1
83.01258	4.5
85.02821	10.4
87.00766	4.4
88.98683	100.0
89.02332	9.9
93.18533	2.7
95.01250	4.4
99.00744	3.6
101.02326	10.9
108.02043	4.9
109.02829	5.8
113.02340	9.3
121.02850	9.7
122.03600	3.5
125.02353	3.8
135.04384	3.6
137.02359	7.1
151.00259	4.8
153.40553	3.2
165.05437	10.5
175.03960	4.9
178.99762	6.7
179.07062	6.0
209.11801	6.5
227.03488	4.0
233.06584	8.2
243.02917	5.5
255.02997	12.9
271.02548	25.4
272.02859	4.9
300.02744	64.2
301.03510	39.2
343.15646	4.0
346.14209	4.1
361.16541	55.9
433.07709	64.2
434.08029	7.6
523.21790	51.1
535.92950	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	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.6
57.03333	3.4
58.00452	1.9
59.01254	37.0
61.01664	0.7
63.03207	0.6
68.99688	0.8
69.03326	1.0
69.30876	1.6
69.31291	4.8
71.01256	39.2
72.01611	0.8
72.99187	2.8
73.02822	11.0
74.92967	0.7
75.00746	1.5
78.95778	0.6
82.71045	0.5
83.01266	7.1
84.02026	0.7
85.02824	18.7
87.00751	2.7
89.02319	14.8
95.01260	2.9
96.00785	1.2
97.02820	1.7
97.06473	0.7
99.00760	4.4
101.02328	26.0
102.02647	1.2
108.02049	0.9
109.02810	1.3
111.00761	2.6
113.02332	14.4
113.03072	1.1
119.03392	7.3
121.10170	0.7
125.02325	1.1
126.92305	0.6
127.11185	1.4
129.01845	1.3
131.03410	0.6
134.03654	0.7
137.09631	1.5
141.12764	0.7
143.03403	1.9
152.01022	0.7
153.01839	1.4
155.10684	1.7
159.02946	1.8
161.04491	6.6
171.13797	0.8
179.05544	2.2
191.05580	0.8
201.14888	5.3
230.15240	1.0
260.86108	0.6
311.01938	0.9
329.13895	1.0
341.26871	0.7
359.28033	28.2
360.28314	3.3
363.20325	2.0
387.81531	0.6
410.66779	1.3
443.66324	0.6
491.32159	0.7
521.33301	100.0
522.33600	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	4.1
57.03323	4.7
58.00454	1.8
59.01252	30.3
64.07691	0.5
68.99676	0.6
69.03329	0.8
71.01257	36.6
71.04889	0.9
72.01575	0.6
72.99188	2.8
73.02434	0.9
73.02820	11.0
75.00743	3.3
78.45320	0.5
83.01263	7.8
85.02824	23.1
87.00758	3.7
87.04386	1.6
89.02318	9.4
95.01281	4.2
97.02848	1.1
98.20529	1.5
99.00770	6.0
101.02327	30.1
102.02641	0.8
103.67950	0.4
111.00765	5.0
112.74825	0.6
113.02334	16.5
114.02674	0.5
117.01769	0.5
119.03418	3.9
125.02336	1.5
127.11160	1.5
129.01793	1.4
129.58511	0.5
131.03403	0.8
134.03650	3.9
137.02330	0.9
137.09569	1.7
143.03366	1.6
145.98137	0.5
149.05994	1.5
151.00200	0.6
153.01808	1.8
153.12758	1.0
155.10672	2.8
157.12262	1.6
159.02950	2.8
161.04448	5.5
171.13783	1.5
178.02617	2.2
179.05507	0.9
183.13837	1.7
193.01292	0.5
193.04993	7.7
201.14900	5.0
213.01860	0.6
230.15120	2.6
241.01418	1.2
245.04538	0.8
249.06142	1.7
256.03696	1.0
257.00937	0.9
267.07077	0.9
267.99979	1.2
269.00934	2.4
270.01587	0.8
271.19186	8.6
272.03351	1.0
272.19571	0.8
273.03326	0.6
279.64340	0.5
283.02332	2.0
284.03088	0.6
285.00467	4.3
293.78043	0.5
297.00455	4.3
298.01138	2.2
300.02689	2.0
301.03482	0.8
311.01944	3.7
312.02762	10.0
313.03445	5.5
315.05185	4.9
327.05161	1.7
329.13916	0.7
341.26868	1.3
343.04584	17.7
344.05127	2.7
348.17529	0.6
358.06943	27.2
359.07535	8.3
359.28027	26.7
360.28348	3.0
369.06421	0.7
371.07639	0.8
401.08859	0.5
433.28302	0.6
503.32001	1.2
521.14008	2.6
521.25885	16.5
521.33234	100.0
522.26270	2.7
522.33551	16.1
544.71680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04259	1.9
59.01240	3.8
71.57669	2.0
76.62514	1.6
78.95753	3.0
81.19029	1.4
85.22366	1.3
90.72604	1.3
91.03880	1.9
95.04853	2.0
105.03339	13.4
131.79839	1.6
132.02048	4.5
133.02861	47.6
134.03699	10.4
135.04424	3.8
137.02379	3.9
147.04411	2.0
148.05161	4.2
160.01575	30.8
161.02373	23.5
161.06004	3.4
164.04471	1.5
171.10155	5.8
175.03931	68.0
176.04243	3.8
177.01857	3.4
178.02643	3.1
179.03371	1.9
183.87440	1.8
193.04988	4.2
196.89326	1.9
202.61331	1.5
207.19971	1.6
233.08148	2.0
255.23306	1.7
257.70145	1.7
271.22800	6.7
272.23111	1.7
317.17484	2.2
327.19086	1.8
331.19241	2.2
345.20728	5.3
347.25940	2.1
361.27661	1.8
384.43896	1.8
415.24988	9.1
429.26483	26.3
430.26819	3.8
433.25946	1.9
447.27560	47.2
448.27847	6.3
458.36627	1.5
506.28958	3.0
521.31226	100.0
522.31610	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	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.4
57.03322	4.0
58.00464	0.8
59.01255	23.3
67.01785	0.8
68.99692	1.0
69.03346	1.0
71.01257	25.1
71.37828	1.1
72.01579	0.6
72.99177	6.1
73.02823	3.0
75.00748	16.2
78.95787	0.7
79.38474	0.6
81.03378	0.6
83.01266	2.8
84.02042	0.8
85.02827	22.9
87.00751	6.3
87.04381	6.4
89.02324	8.3
93.03360	2.1
95.01273	5.7
97.06458	0.9
99.00766	10.1
101.02327	8.5
101.02924	0.9
103.00266	1.3
106.57324	0.6
108.02073	0.7
109.02880	1.1
111.00805	1.3
111.04352	0.6
113.02332	26.4
114.02693	0.7
115.00295	1.4
116.18544	0.6
117.01849	2.1
119.03416	1.5
119.87863	0.5
129.01846	1.5
131.03448	1.1
134.03693	0.6
137.02361	1.3
143.03391	0.7
151.03984	0.6
152.01067	0.9
153.01871	1.7
157.01340	1.0
159.02888	0.8
161.04562	1.3
167.14355	0.8
175.02441	2.7
175.03850	1.2
183.13843	8.5
191.05602	1.0
195.13918	1.6
198.06244	0.6
205.07185	1.1
211.16969	0.8
231.05150	1.9
235.17220	0.6
249.06149	12.6
250.06578	1.2
253.18053	3.2
267.07233	3.4
269.17609	1.3
271.19153	51.6
272.19418	5.5
329.13922	0.8
331.00687	0.7
334.85065	0.6
359.28101	5.8
373.25928	0.9
383.56949	0.6
503.25409	2.7
503.32034	0.6
521.26276	100.0
521.33417	13.4
522.26532	15.1
522.33771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29903	0.6
55.01758	1.7
57.03323	5.3
58.00469	1.9
59.01253	40.9
63.30147	0.5
64.08232	0.6
68.99699	0.8
69.03332	1.1
69.24271	7.3
71.01254	39.1
71.04908	0.9
72.99181	7.0
73.02813	5.9
75.00751	14.5
81.03352	0.7
83.01272	2.9
83.04887	0.7
85.02827	23.4
87.00751	7.2
87.04385	1.5
89.02319	18.6
89.39818	0.5
91.03915	0.8
93.03349	1.1
93.49789	0.6
95.01257	5.5
96.00811	2.9
97.02827	1.1
97.06480	2.6
99.00751	8.8
99.08042	4.0
101.02325	16.2
103.00274	2.1
107.03335	0.6
108.02036	4.2
109.02843	3.5
111.00748	0.7
113.02335	27.6
113.09592	1.7
114.92420	0.6
115.00246	1.7
115.07541	1.4
117.01843	2.8
119.03397	8.1
119.04783	0.6
121.02866	0.7
121.10152	2.1
123.04436	0.9
125.02421	0.8
125.09621	1.1
127.07567	3.7
127.08350	0.6
129.01866	1.8
129.09122	1.6
131.03444	1.1
137.09724	0.5
138.35545	0.5
140.69460	0.7
141.09125	2.1
141.12730	1.3
143.03403	1.4
143.10681	5.0
149.04515	1.1
152.01064	5.7
153.01855	2.0
155.10806	0.6
157.01302	0.8
159.02878	0.8
161.04451	4.0
169.12271	1.0
171.13847	1.3
171.96455	0.6
175.02438	1.4
179.05565	2.3
183.02826	0.9
193.16043	0.6
199.13342	0.8
201.14893	5.7
201.82460	0.6
205.07117	2.6
211.16985	1.4
223.08145	1.0
225.18524	0.6
231.05005	1.4
249.06134	13.9
250.06374	1.0
253.18092	1.8
267.07230	5.7
269.17691	0.7
271.19156	30.9
272.19525	3.3
285.20636	0.8
315.07181	0.9
341.27103	1.3
359.28064	10.4
360.28186	1.0
366.10172	0.7
410.67041	0.8
461.31158	1.2
477.17621	2.7
503.24789	3.1
521.26019	100.0
521.33411	26.2
522.26349	15.7
522.33752	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2601
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
55.01760	1.4
57.03321	3.9
59.01254	32.2
61.98698	1.8
67.01751	2.0
68.99690	1.5
69.03342	1.5
70.32674	0.8
71.01257	26.3
71.04889	1.8
72.99194	6.1
73.02148	0.8
73.02822	3.9
75.00751	24.0
78.95782	1.7
81.03329	2.8
83.01269	2.1
83.04905	17.1
85.02828	26.3
87.00758	7.4
88.79951	0.8
89.02320	5.9
93.03346	1.5
95.01263	7.2
96.00774	1.6
99.00762	14.3
101.02325	4.8
103.00263	2.0
109.02847	1.6
111.00737	0.9
113.02338	32.2
113.09610	13.4
114.02689	1.1
114.71882	0.8
115.00276	2.7
117.01840	3.0
119.03442	1.2
127.08384	0.9
129.01859	2.3
131.03445	0.9
139.03923	1.1
141.12756	1.0
143.10718	4.1
149.30893	1.0
153.01891	0.8
154.63705	1.2
157.01340	1.1
165.01854	3.1
175.02475	3.1
181.15901	1.3
183.17464	10.0
187.04951	0.9
189.03998	1.5
205.07106	1.4
209.15439	16.9
210.15842	1.4
223.08218	0.9
227.16495	77.9
228.16907	5.5
231.05029	2.1
249.06165	24.8
267.07205	9.1
268.07483	1.5
297.35498	0.9
323.22189	1.4
359.27859	1.7
392.31381	1.0
394.99820	0.9
446.17087	1.1
459.22372	3.7
460.22485	1.1
477.23444	69.8
478.23737	8.6
521.26056	100.0
521.32947	10.1
522.26385	15.5
522.33331	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2522
Annotation	Cognatine
Peak:m/z	Relative Intensity
59.01247	2.2
60.57453	1.0
66.10694	0.9
69.25329	11.9
78.95776	41.6
96.96819	2.8
110.98370	1.1
130.41634	1.0
131.15671	0.9
135.04388	1.0
152.99495	60.5
161.02332	2.2
171.00592	5.7
171.10162	1.7
175.62071	1.0
179.14268	1.1
181.12251	1.2
195.13844	16.9
196.14328	2.0
205.12224	2.6
211.13281	1.5
223.13329	9.1
227.03154	8.5
228.13484	1.5
245.04250	2.9
256.13058	1.5
275.20108	7.9
277.27744	1.0
293.21210	85.7
294.21570	8.6
296.23083	3.2
385.30872	1.1
429.20493	1.9
452.17804	1.4
492.88409	1.0
521.25049	100.0
522.25159	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	521.253
Annotation	Cognatine
Peak:m/z	Relative Intensity
59.01270	1.3
69.54562	5.1
71.01294	0.8
78.95790	18.3
96.96848	1.4
104.88735	0.6
111.08110	0.9
113.09664	0.8
128.04550	0.6
132.43382	0.6
133.02888	0.9
135.04382	0.9
150.97952	1.1
152.99518	19.9
161.02396	1.4
171.00574	3.0
179.14355	1.0
183.14026	0.9
195.13866	11.3
196.14473	1.1
203.08862	0.6
205.12323	0.9
211.13420	1.5
223.13354	6.9
224.13741	0.7
227.03319	1.5
228.13712	0.8
235.16949	1.3
245.04311	3.4
256.13232	1.1
265.21426	0.7
275.20218	6.4
293.21280	100.0
294.21582	9.4
295.22888	1.2
296.23181	2.4
504.12631	0.9
521.25226	55.2
522.25568	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	521.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	3.3
57.03324	5.8
58.00486	1.4
59.01254	30.2
60.01561	0.8
61.98700	0.6
67.01765	1.4
68.99672	0.8
69.03337	0.9
71.01257	43.3
71.04888	0.9
71.57690	0.8
71.58076	0.8
72.99181	6.1
73.02828	7.4
75.00750	24.5
78.95760	1.2
83.01261	5.8
85.02827	41.5
86.03183	0.8
87.00754	9.2
89.02322	9.4
93.03340	1.7
95.01260	5.6
97.02820	2.1
97.06402	0.6
99.00762	10.5
99.70462	0.6
101.02332	20.3
101.03006	1.1
103.00275	1.0
108.02052	1.8
109.02830	1.6
111.00771	1.6
113.02333	34.5
114.02718	0.7
115.00265	2.7
117.01821	1.5
117.72031	0.6
119.03388	3.8
121.10086	0.8
125.02351	1.4
129.01848	2.9
131.03423	1.5
134.03650	0.7
137.02344	0.8
139.07526	0.8
143.03380	0.9
149.02373	0.7
152.01074	1.3
153.01842	1.3
157.01300	0.9
159.02930	1.2
161.04535	3.5
162.44196	0.6
171.13834	1.1
173.04526	3.8
175.02487	3.6
175.03860	1.0
183.08034	0.7
183.13773	0.6
190.02730	0.7
191.05623	4.9
193.05057	0.7
201.07599	2.7
201.14914	1.6
271.18997	1.3
326.04031	0.6
331.13956	1.0
337.09344	1.5
338.98056	0.6
345.19116	1.4
359.28073	10.8
360.28336	0.7
373.26160	0.6
431.60434	0.6
503.21017	0.7
521.22382	100.0
521.33234	27.3
522.15662	1.1
522.22717	13.3
522.33661	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42181	0.4
57.37881	0.4
59.01249	2.1
65.13883	0.5
70.88691	0.5
70.89024	1.1
71.01247	2.9
73.02790	0.5
85.02825	1.4
87.00804	0.5
100.54939	0.5
101.02306	1.4
109.02814	0.7
113.02277	0.7
121.02862	3.6
122.03609	1.6
123.00768	1.3
123.04344	0.6
124.01562	0.6
135.02895	0.5
136.05203	1.0
137.02328	1.1
147.04456	2.4
149.02335	1.5
150.03151	5.4
151.00261	0.6
158.03670	1.7
159.04422	5.8
160.05206	25.7
161.04485	1.0
161.05972	7.2
163.03886	4.2
164.04695	4.6
167.05971	0.5
173.04669	0.7
173.05984	3.2
175.07565	23.1
176.07935	1.5
177.05493	6.3
178.06276	7.9
178.99847	0.7
179.06773	0.4
192.07848	1.2
193.08600	3.3
204.03020	0.5
247.58673	0.5
314.11823	0.7
317.02911	0.6
329.13934	100.0
330.14276	10.3
341.05008	0.6
343.04373	1.3
358.06964	2.1
359.15048	1.8
503.09695	0.9
521.11206	1.8
521.22198	1.1
522.09479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
57.03326	4.9
59.01258	20.3
61.98684	0.8
68.99691	1.0
69.03320	1.0
71.01260	29.1
71.04904	1.1
71.58212	0.9
72.99186	6.7
73.02822	5.2
74.02333	1.5
75.00754	22.5
78.24220	0.9
79.84805	0.6
81.03352	1.2
82.80934	0.8
83.01287	4.3
84.02034	1.0
85.02831	28.6
87.00767	6.4
89.02320	8.4
93.03366	2.6
95.01280	4.5
97.02827	1.6
99.00762	9.0
101.02325	9.1
106.06520	1.6
108.02066	12.2
109.02845	35.7
111.00760	2.1
113.02337	25.4
114.02637	1.1
115.00269	2.2
117.01826	0.9
119.03410	1.9
119.04931	2.1
121.02863	2.0
123.00784	2.0
123.04435	1.0
124.01582	1.5
125.02338	3.2
125.12858	0.7
128.03465	1.0
129.01843	1.7
131.03374	1.0
134.03693	1.1
135.04422	1.0
136.57657	0.7
137.02333	1.0
139.00293	4.5
139.03902	3.9
143.04536	1.5
148.01585	0.9
149.02367	2.8
149.99507	2.6
150.03215	0.9
151.00270	1.5
151.03918	1.4
152.01076	19.4
153.01865	30.9
153.03101	1.7
153.05418	1.5
154.02197	0.8
157.01349	1.5
160.01482	0.8
161.04478	3.1
163.03938	3.0
164.04660	3.0
165.01862	1.4
165.12753	1.6
167.03458	1.4
168.00536	6.0
169.01393	1.8
173.04492	3.1
175.00281	2.1
175.02406	2.0
175.03809	1.5
176.01013	1.8
177.01912	1.2
179.03410	0.8
182.99248	1.6
183.02969	1.2
183.04419	6.1
190.02672	5.4
191.03397	2.4
191.05466	1.7
205.05002	4.6
223.06029	2.1
227.07144	1.3
243.02898	1.6
271.02408	1.9
273.03018	1.5
299.01950	1.9
300.02286	2.3
301.02679	2.4
313.05814	1.2
314.04449	1.3
315.07443	12.5
316.05063	1.3
317.05563	2.3
329.14261	0.8
331.06650	1.1
345.19180	1.3
369.28519	0.8
399.09238	2.2
503.21518	1.2
521.13013	31.7
521.22424	100.0
522.13190	5.1
522.22699	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75295	0.9
57.03314	1.8
58.00460	4.4
58.83128	1.0
59.01253	100.0
60.01599	0.9
69.47060	2.7
69.47482	5.7
71.01256	72.6
72.99166	6.2
73.02821	2.0
83.01273	2.0
85.02831	12.0
87.00759	5.1
89.02322	92.3
89.35026	0.9
90.02654	2.3
95.01240	4.9
99.00739	2.2
101.02323	38.1
108.02046	1.9
109.02834	2.8
111.00776	1.2
113.02338	27.5
119.03397	38.8
121.02832	2.4
123.04400	1.8
125.02342	2.4
131.03398	4.2
137.02315	2.2
143.03415	5.6
149.04425	3.6
152.01093	1.2
159.04405	2.4
160.05209	6.7
161.04471	6.1
161.05804	2.3
164.00871	1.3
166.99809	1.2
171.04491	1.1
172.05188	4.6
173.05972	4.2
175.07553	3.7
178.99829	1.3
179.05565	13.0
187.07535	2.1
189.05554	6.2
190.06276	8.3
203.07211	1.2
205.08717	7.3
245.76530	1.0
281.08151	1.5
296.10446	4.1
311.12875	5.6
316.02261	1.1
318.82281	1.0
329.13916	1.9
341.13898	27.5
342.14178	3.5
429.76727	1.2
521.21313	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.4
59.81503	0.4
69.04119	0.4
71.01260	3.7
72.99181	0.6
73.02824	1.0
74.30497	0.4
75.00743	1.0
84.23505	0.4
85.02822	1.9
89.02327	1.1
95.01247	0.7
99.00748	0.6
101.02334	1.8
113.02332	2.2
119.04910	0.4
121.02847	3.0
122.03632	1.5
123.00762	1.2
123.04380	0.9
123.48573	0.5
124.01579	0.5
129.01874	0.5
134.03685	0.5
136.01532	0.4
136.05222	1.2
137.02365	0.6
143.04916	0.6
145.02904	0.4
147.04469	2.4
149.02379	2.0
150.03122	4.3
158.03621	1.7
159.04407	8.3
160.05215	24.3
161.04498	0.9
161.05965	7.1
162.03111	0.8
163.03934	4.2
164.04681	4.9
173.05991	2.6
175.02455	0.7
175.04091	0.6
175.07562	24.0
176.04721	0.5
176.07872	1.1
177.05489	7.6
178.06262	7.0
192.07852	1.9
193.08615	3.3
196.58392	0.4
209.16925	0.5
223.24042	0.4
229.65410	0.5
284.10403	0.5
299.09189	0.5
299.13107	0.5
314.11609	0.8
329.13937	100.0
330.14258	11.0
346.90164	0.5
355.04465	0.5
359.11057	0.5
359.15158	2.5
360.14914	0.6
381.77502	0.4
398.56769	0.5
521.21698	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	521.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.2
59.01253	8.7
69.88255	5.9
71.01246	5.5
71.04886	1.5
72.99185	5.4
73.02812	2.8
75.00749	51.3
78.95768	2.4
81.03328	2.8
83.01250	1.5
85.02819	2.3
87.00745	4.8
89.02322	2.5
99.00761	3.0
105.86060	1.2
109.02808	1.4
113.02336	2.6
125.02348	5.2
126.35824	1.2
129.06673	1.1
139.55513	1.2
143.03404	9.7
146.84225	1.2
150.03133	1.5
153.01857	13.3
155.03392	2.2
161.04445	5.5
165.05576	2.0
179.05539	100.0
180.05951	2.5
193.03445	1.6
194.15300	1.2
244.62088	1.1
315.07132	3.3
327.11346	1.4
341.10922	1.8
381.35727	1.1
521.14703	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2036
Annotation	Manglieside D
Peak:m/z	Relative Intensity
50.83138	2.7
53.03409	2.6
55.01770	3.6
57.03320	5.2
59.01259	27.8
59.39790	3.0
69.31947	29.5
70.50044	2.7
71.01267	22.1
72.99180	4.4
73.02802	5.6
75.00764	8.7
85.02836	22.1
87.00772	5.1
89.02341	7.9
96.95910	20.1
99.00786	3.8
101.02317	11.6
105.53608	2.8
109.02837	4.5
113.02334	12.1
115.00299	3.0
134.03622	3.0
153.01842	5.5
158.03630	4.0
159.04482	4.2
160.05194	9.0
161.05948	11.4
162.06699	4.1
163.03790	4.0
172.05200	42.0
173.05835	4.2
174.03250	3.6
175.03845	4.5
175.07602	8.1
177.05580	4.3
178.06284	5.3
181.08629	12.6
187.07594	45.6
189.05717	2.9
190.06248	15.1
191.05530	10.8
191.07095	7.4
193.04990	3.9
205.08662	11.0
210.05312	3.3
227.07060	5.2
249.06294	2.9
252.25029	3.0
267.06906	4.3
281.14468	3.1
293.08215	4.4
311.09271	3.7
311.12729	5.1
323.12976	3.1
329.10281	5.1
329.13559	21.6
341.13983	46.9
342.14337	6.3
344.12610	7.9
359.15036	100.0
360.15466	17.1
521.20465	47.6
522.20587	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	521.1301
Annotation	SCHEMBL2139530
Peak:m/z	Relative Intensity
58.05140	0.4
61.40501	0.5
69.78209	2.3
69.78618	0.8
71.01270	1.2
71.96754	0.5
81.03336	0.8
85.02840	0.8
91.01758	0.8
95.01289	0.7
101.02333	0.6
108.02055	37.8
109.02864	15.6
113.02323	0.6
119.01308	0.6
121.02824	1.2
123.00774	0.6
125.02377	0.5
130.86926	0.5
134.03694	0.6
135.00772	1.0
135.04456	0.8
147.00815	1.0
148.01569	0.6
149.02306	3.0
150.03140	1.4
151.03893	0.7
152.01060	38.9
153.01851	14.3
154.02223	0.9
161.02275	0.6
163.03893	1.6
164.04689	1.5
165.01811	1.2
167.03375	0.7
175.00291	6.8
176.01044	7.2
177.01488	0.6
187.31897	0.5
190.02644	14.4
191.03406	13.1
192.03775	0.8
194.02078	0.9
195.02882	0.7
205.05009	8.6
206.05415	0.5
209.04485	1.3
223.06120	2.1
273.07663	0.6
287.32138	0.4
293.93796	0.5
315.07224	22.5
316.07620	1.8
353.08743	7.4
367.10281	1.2
477.14072	3.5
489.10287	2.3
506.10608	0.6
521.13013	100.0
522.13275	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01715	0.5
57.03288	0.8
59.01186	4.8
59.12261	0.4
61.21575	0.4
65.00182	0.4
68.99632	0.4
69.28992	4.9
71.01180	6.3
73.02747	1.9
83.01236	0.8
85.02834	3.4
87.00710	0.5
89.02319	2.5
95.01145	0.4
97.05837	0.4
98.20543	1.0
99.00694	0.5
101.02330	4.5
113.02296	2.4
119.03376	1.0
123.35295	0.4
125.02253	1.2
135.00764	0.5
153.01804	0.8
155.10609	0.5
159.02840	0.6
161.04384	1.2
163.00188	0.6
165.01851	2.2
173.83211	0.4
177.01733	0.6
179.03310	0.7
191.03323	0.9
193.01302	1.0
193.04951	1.1
201.14801	0.7
213.01923	2.5
215.03375	1.7
221.03825	0.4
226.02548	0.5
228.04143	1.9
229.01288	1.2
230.02116	0.8
237.03932	1.4
240.00562	2.0
241.01349	1.7
242.02051	0.8
243.02827	0.7
245.00816	1.1
245.04453	1.1
255.02917	1.2
256.03821	3.7
257.00732	1.6
257.04199	0.6
263.05676	0.6
268.00095	2.0
269.00922	6.0
270.01611	2.0
272.03214	3.1
282.01563	0.5
283.02484	6.6
284.03250	3.1
285.00430	13.4
285.03598	0.8
286.00873	0.8
295.99640	1.0
297.00391	13.9
298.01147	7.9
299.01462	0.8
300.02737	6.0
301.03400	1.2
311.01974	16.3
312.02750	31.6
313.03473	16.1
313.06564	0.3
314.03784	0.9
315.05124	12.7
316.05368	1.0
327.05057	7.1
328.02094	1.6
328.05588	0.9
329.02921	0.9
341.06735	0.8
343.04565	58.0
344.04980	6.0
357.06219	1.0
358.06934	100.0
359.07535	24.5
359.28024	4.1
360.07959	1.8
369.06195	1.4
371.08002	1.0
373.09201	0.5
381.06027	1.4
383.07953	0.7
401.08670	3.7
413.08859	1.3
507.90201	0.5
520.32361	1.4
521.13000	8.6
521.33380	14.3
522.13373	1.0
548.26593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.7
54.57317	1.4
55.01736	2.8
57.03328	5.1
59.01257	40.7
61.51678	1.4
61.98707	20.5
65.00188	2.7
71.01259	33.6
72.99173	7.3
73.02816	5.9
75.00749	11.7
78.95792	4.1
81.03332	10.8
83.01275	9.7
85.02823	19.7
87.00753	6.8
88.92560	1.6
89.02326	13.7
93.03350	8.4
95.01242	2.2
97.02802	2.8
97.06462	1.7
98.20594	3.0
99.00758	6.7
101.02332	21.2
102.48075	1.4
107.01274	5.1
108.02058	3.6
109.02872	3.5
113.02335	19.8
119.03377	6.2
119.04910	12.3
121.02884	3.0
122.03615	1.7
123.04420	27.8
125.02351	14.8
125.41628	1.6
128.69141	1.8
137.02310	3.4
139.03925	1.8
143.03435	1.7
145.02913	2.4
149.02379	3.8
151.00272	10.1
152.01051	2.9
153.12766	15.0
160.01547	2.5
161.04504	3.7
163.03931	2.7
165.01889	1.7
167.03430	75.1
168.03719	2.6
169.01427	2.1
173.04526	2.4
174.01663	2.2
175.02419	3.9
175.03842	2.1
178.99731	6.5
179.03412	6.1
179.05533	6.6
179.10693	5.1
185.87032	1.6
189.05614	2.1
191.05597	2.0
192.50661	1.6
193.03445	3.1
197.11734	13.2
227.06848	1.9
238.88135	1.9
267.07269	1.9
271.02182	2.0
273.07681	100.0
274.08109	5.6
281.04315	2.1
293.04691	2.0
300.02261	1.5
311.05661	2.3
329.13846	1.9
359.28122	3.6
520.32349	1.9
521.10651	21.1
521.22015	8.7
521.33783	10.9
522.11322	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.9
57.03315	0.6
59.01249	3.5
69.03294	0.4
69.48864	2.8
71.01254	2.6
71.04893	16.1
72.05212	0.4
73.02827	0.7
83.01248	1.5
83.04896	0.3
84.08625	0.3
85.02814	2.2
87.00746	0.5
89.02337	1.1
90.19858	0.4
93.03306	0.4
95.01296	0.3
95.04916	1.3
97.02827	7.3
99.00764	0.6
99.76707	0.3
101.02321	1.3
108.02071	0.8
109.02833	0.5
111.00754	0.3
113.02349	1.2
114.23232	0.3
117.03377	0.3
119.03354	0.3
119.04878	0.3
121.02858	0.7
123.00784	0.4
125.02328	0.6
132.02065	4.3
133.02850	1.5
134.03615	4.1
135.04407	1.2
137.02345	1.2
139.03911	100.0
140.04233	3.6
141.01854	0.4
146.71333	0.3
149.06003	1.0
152.01012	0.5
153.01836	0.6
153.05478	0.9
160.01569	15.8
161.02328	3.1
163.03909	4.4
165.01881	1.4
165.05511	0.4
175.03928	15.9
176.04474	0.8
178.02539	0.6
179.03430	0.6
181.04935	0.7
183.02902	2.7
191.07106	0.5
193.05016	4.4
203.80984	0.3
205.04942	0.5
207.02997	0.5
215.18970	0.3
217.04861	0.3
224.39880	0.3
235.05962	0.5
268.82736	0.3
271.02426	0.8
295.08304	1.5
316.02298	0.9
323.07776	1.1
337.09271	9.8
338.09589	0.6
473.14557	0.4
477.13995	3.7
478.14462	0.5
489.10156	2.0
521.13025	6.9
521.22449	6.5
522.13367	1.2
522.22980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38995	0.8
57.03312	1.4
59.01258	7.9
61.98708	1.1
65.00191	3.7
71.01262	6.0
73.02830	1.6
74.12733	0.7
75.00763	2.2
78.95786	1.5
83.01271	3.6
85.02834	3.1
88.44191	0.7
89.02330	1.6
93.03355	1.1
95.01289	1.2
98.19743	1.6
99.87199	0.8
100.24313	0.8
101.02316	3.7
107.01286	3.9
113.02352	3.1
119.04945	1.2
120.86911	0.8
125.02342	4.5
132.02078	1.2
133.02875	1.8
137.02351	1.8
145.02930	1.8
151.00284	8.8
153.25830	0.8
155.04929	1.0
160.01555	2.7
161.02359	2.9
161.04585	1.0
163.03897	1.6
167.04927	1.0
169.02911	0.8
175.03918	1.1
183.04437	3.7
187.00313	2.1
195.04459	1.1
199.03966	3.5
205.01459	1.3
211.03964	4.3
213.01782	1.1
227.03465	7.2
228.04013	0.9
237.01891	1.5
239.03416	4.6
251.03427	1.5
255.02994	11.8
256.03751	17.4
257.04150	1.8
265.01514	1.5
267.02991	3.2
282.01532	1.4
283.02496	17.4
283.11014	1.3
284.03241	21.0
285.03751	3.3
294.01648	1.0
295.02457	24.5
296.02936	1.8
311.01981	74.7
312.02744	100.0
313.03500	63.3
314.03864	5.9
472.99078	0.8
521.10889	7.1
521.26343	10.0
549.08765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	17.2
61.47092	1.5
61.61052	1.1
61.98692	3.1
63.02269	2.6
65.00196	4.7
71.01253	4.8
83.01272	4.7
85.02789	2.4
85.19669	1.3
89.02328	3.1
94.57016	1.3
101.02354	2.8
107.01295	6.3
113.02349	1.7
124.01568	1.9
125.02335	5.0
151.00278	23.2
152.01105	3.1
164.01024	1.2
169.01295	1.6
169.95146	1.4
178.99806	6.9
188.02757	1.5
190.41864	1.5
221.06039	1.6
225.05482	3.0
239.03477	1.7
245.00208	1.3
249.05577	3.0
253.05106	3.0
255.03104	2.0
263.03506	2.1
263.07245	2.0
265.04855	2.3
268.03537	1.6
270.05325	1.7
277.05209	2.6
281.04547	5.9
293.04761	2.3
297.04099	1.7
298.04852	3.7
308.03232	1.7
309.04108	11.8
313.03421	4.0
324.02780	1.6
324.06216	1.7
325.03314	1.5
326.04108	6.7
331.06113	1.4
343.06152	3.8
354.03888	1.6
355.04871	2.0
357.03745	1.7
357.07602	2.6
358.03467	1.9
360.06192	1.3
361.07391	2.7
363.05200	1.6
370.04953	2.7
373.06866	1.4
385.07364	7.7
387.05219	2.6
389.06909	1.7
399.05081	1.9
401.06738	2.2
402.07367	1.4
405.06296	6.3
411.05280	1.4
413.06961	1.6
417.06140	3.6
428.05338	2.0
429.06137	32.1
430.06784	6.0
433.05673	7.4
434.06610	1.7
442.06924	3.3
443.08163	2.0
445.05853	2.5
456.04852	2.4
457.05646	89.7
458.06149	27.7
459.06903	2.5
461.05191	21.6
461.31409	4.3
462.05441	2.8
471.07150	11.0
472.07990	75.9
473.08987	32.6
476.07208	9.6
491.09848	100.0
492.10068	14.5
503.09869	70.8
504.10168	11.6
521.10931	42.9
521.19043	2.1
521.33057	3.0
522.11334	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	521.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.6
59.01254	18.0
61.22717	1.1
61.98689	1.0
65.00197	2.8
71.01261	11.2
72.65713	1.0
73.02804	1.7
73.45734	1.1
75.00766	1.8
78.95777	4.4
80.54081	1.1
81.03381	1.1
83.01269	3.8
85.02832	3.6
89.02324	8.6
91.01752	2.1
91.34556	1.1
95.01295	1.3
99.00752	1.2
101.02334	5.0
105.01234	1.0
106.88650	0.9
107.01262	6.3
107.45666	0.9
108.02058	5.5
109.02843	2.7
109.41527	1.0
109.91276	1.1
113.02320	4.0
114.48654	1.0
119.03417	1.7
119.04909	1.6
123.00733	2.5
125.02338	4.5
133.02861	3.0
135.00801	4.8
151.00301	9.1
151.03841	1.0
152.01059	7.9
152.99519	1.1
159.04468	1.4
160.01616	2.5
161.02370	2.2
163.03841	1.2
167.04878	1.8
173.02245	1.4
174.03014	1.6
175.03918	1.4
179.51991	1.1
183.04410	5.0
185.02275	1.2
187.00351	2.5
199.03963	2.7
201.01837	1.4
211.03929	5.0
213.01901	1.9
227.03452	7.9
229.38327	1.2
239.03462	4.2
243.02948	2.0
243.06601	24.0
244.06993	1.3
249.18694	1.4
251.03516	1.8
255.02974	16.3
256.03745	15.3
266.02194	2.3
267.02997	4.2
282.01675	2.2
283.02505	21.1
284.03207	23.1
285.03766	2.5
293.17575	2.7
294.01907	1.1
295.02493	26.6
296.02777	2.6
302.99695	1.0
311.01981	84.1
312.02744	100.0
313.03519	66.8
314.03925	4.2
325.20203	4.0
359.28033	5.1
369.09634	1.8
389.12427	3.4
520.32141	2.5
521.10736	7.8
521.17712	11.3
521.26434	2.2
521.33307	10.8
522.25024	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07589	0.4
59.01247	5.1
60.01552	0.5
63.02227	0.6
65.00201	3.4
68.48930	0.4
68.99690	1.4
69.37221	4.2
69.37624	0.7
71.01251	2.0
72.99185	1.1
73.02829	0.9
77.38330	0.4
79.97943	0.4
82.00480	0.6
83.01256	1.6
85.02823	0.7
86.01724	0.6
87.00725	0.5
87.91492	0.4
89.02319	0.9
93.03361	0.6
95.01275	1.9
99.00779	1.2
101.02314	0.8
107.01252	2.4
109.02830	2.5
109.99990	14.6
111.00768	5.3
113.02335	1.0
120.43343	0.6
121.02839	0.9
123.00808	3.7
124.01547	1.9
124.98767	0.5
125.02324	3.4
125.99438	0.6
133.02846	0.7
135.00749	1.0
136.01540	1.2
136.98723	3.1
137.02365	2.1
137.99498	5.4
139.00284	19.3
139.01367	1.0
139.03911	0.8
140.00562	0.5
141.98987	0.9
145.02972	0.6
146.03706	0.5
147.00735	0.4
148.01561	1.5
149.02359	1.6
151.00298	11.7
151.03967	0.6
152.01103	3.3
153.01787	0.9
155.04941	0.6
157.02718	0.7
159.04433	1.1
161.02367	1.9
163.00308	2.7
164.01097	3.6
164.98235	1.9
165.01921	1.1
165.99011	20.7
166.99785	8.6
168.00113	0.5
169.01416	1.1
171.04443	1.5
173.02344	0.9
174.03122	1.0
175.03922	1.4
176.00981	0.5
178.99800	15.9
180.00237	0.5
181.01324	0.6
183.04500	1.0
186.03122	0.8
187.03900	1.6
188.04677	0.7
189.01901	1.3
190.02568	1.2
190.99733	0.5
192.00554	0.8
193.01353	0.6
193.04980	0.5
193.98515	1.8
194.99283	1.2
198.03209	2.0
199.03960	4.1
201.01909	3.3
202.02510	1.0
203.03465	2.8
206.99312	1.7
208.00089	0.7
211.04019	0.6
213.01788	0.7
214.02655	2.2
215.03418	2.8
216.04199	1.1
219.02925	0.9
226.02641	1.5
227.03473	5.6
228.03970	1.0
229.01398	1.5
230.02251	0.8
231.02968	3.0
232.03654	0.7
242.02168	4.8
243.02980	8.9
244.03662	2.4
245.04504	1.3
247.05968	0.6
249.57936	0.6
255.02988	4.5
259.02533	4.2
260.02985	1.2
261.70157	0.6
269.00882	0.7
270.01685	8.2
271.02487	48.0
272.02991	6.4
273.03949	2.6
281.00772	0.6
287.01999	26.5
288.02567	5.7
297.04071	0.8
298.01218	0.7
299.01974	26.4
300.02310	3.0
301.03433	0.7
315.01361	1.6
316.02231	100.0
317.02975	58.7
318.03366	3.9
329.13705	0.5
341.02789	1.1
353.08878	0.6
458.87894	0.5
479.08359	5.5
480.08636	0.9
503.08304	1.4
521.09369	89.3
522.09686	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	521.0933
Annotation	Quercetagetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.07589	0.4
59.01247	5.1
60.01552	0.5
63.02227	0.6
65.00201	3.4
68.48930	0.4
68.99690	1.4
69.37221	4.2
69.37624	0.7
71.01251	2.0
72.99185	1.1
73.02829	0.9
77.38330	0.4
79.97943	0.4
82.00480	0.6
83.01256	1.6
85.02823	0.7
86.01724	0.6
87.00725	0.5
87.91492	0.4
89.02319	0.9
93.03361	0.6
95.01275	1.9
99.00779	1.2
101.02314	0.8
107.01252	2.4
109.02830	2.5
109.99990	14.6
111.00768	5.3
113.02335	1.0
120.43343	0.6
121.02839	0.9
123.00808	3.7
124.01547	1.9
124.98767	0.5
125.02324	3.4
125.99438	0.6
133.02846	0.7
135.00749	1.0
136.01540	1.2
136.98723	3.1
137.02365	2.1
137.99498	5.4
139.00284	19.3
139.01367	1.0
139.03911	0.8
140.00562	0.5
141.98987	0.9
145.02972	0.6
146.03706	0.5
147.00735	0.4
148.01561	1.5
149.02359	1.6
151.00298	11.7
151.03967	0.6
152.01103	3.3
153.01787	0.9
155.04941	0.6
157.02718	0.7
159.04433	1.1
161.02367	1.9
163.00308	2.7
164.01097	3.6
164.98235	1.9
165.01921	1.1
165.99011	20.7
166.99785	8.6
168.00113	0.5
169.01416	1.1
171.04443	1.5
173.02344	0.9
174.03122	1.0
175.03922	1.4
176.00981	0.5
178.99800	15.9
180.00237	0.5
181.01324	0.6
183.04500	1.0
186.03122	0.8
187.03900	1.6
188.04677	0.7
189.01901	1.3
190.02568	1.2
190.99733	0.5
192.00554	0.8
193.01353	0.6
193.04980	0.5
193.98515	1.8
194.99283	1.2
198.03209	2.0
199.03960	4.1
201.01909	3.3
202.02510	1.0
203.03465	2.8
206.99312	1.7
208.00089	0.7
211.04019	0.6
213.01788	0.7
214.02655	2.2
215.03418	2.8
216.04199	1.1
219.02925	0.9
226.02641	1.5
227.03473	5.6
228.03970	1.0
229.01398	1.5
230.02251	0.8
231.02968	3.0
232.03654	0.7
242.02168	4.8
243.02980	8.9
244.03662	2.4
245.04504	1.3
247.05968	0.6
249.57936	0.6
255.02988	4.5
259.02533	4.2
260.02985	1.2
261.70157	0.6
269.00882	0.7
270.01685	8.2
271.02487	48.0
272.02991	6.4
273.03949	2.6
281.00772	0.6
287.01999	26.5
288.02567	5.7
297.04071	0.8
298.01218	0.7
299.01974	26.4
300.02310	3.0
301.03433	0.7
315.01361	1.6
316.02231	100.0
317.02975	58.7
318.03366	3.9
329.13705	0.5
341.02789	1.1
353.08878	0.6
458.87894	0.5
479.08359	5.5
480.08636	0.9
503.08304	1.4
521.09369	89.3
522.09686	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	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88293	0.2
61.47265	0.3
69.25156	3.6
78.95779	68.5
80.57330	0.3
96.96842	6.1
98.20568	0.6
144.67584	0.3
146.39224	0.3
149.40977	0.3
150.97932	2.2
152.99495	100.0
153.99834	1.7
171.00569	2.6
221.53911	0.3
250.25615	0.3
279.23306	2.4
415.22202	0.3
433.23608	34.0
434.23950	4.6
520.26874	3.3
521.27124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34090	0.3
69.33462	1.8
69.33873	0.7
78.95779	45.5
82.11235	0.2
89.60240	0.2
96.96846	5.6
136.93782	0.2
150.97949	1.8
152.99495	100.0
153.99878	1.9
162.80746	0.3
171.00577	3.7
253.91557	0.3
279.23221	0.9
296.71317	0.3
433.23608	18.9
434.23972	2.2
520.26819	2.3
521.27295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.5
59.01252	29.8
60.01569	1.9
60.99182	15.4
61.98706	2.4
63.54590	1.3
66.56506	1.2
69.38491	1.2
69.56284	9.9
71.01260	16.0
72.00130	1.2
72.01607	1.6
72.99201	2.1
73.02834	1.6
75.00759	5.7
81.03287	1.3
83.01270	1.9
85.02820	13.5
86.03185	1.7
87.00762	6.2
88.98681	100.0
89.02332	1.5
95.01265	1.7
97.02835	1.7
99.00774	4.5
99.04393	1.6
101.02336	5.8
103.00285	1.2
108.02038	1.8
113.02338	14.7
114.02695	3.0
115.00259	1.7
125.02363	2.3
137.04070	1.3
143.78728	1.3
145.02936	1.3
151.00262	1.8
166.36694	2.0
189.35559	1.2
208.14320	2.2
239.16554	3.0
249.06255	2.5
255.03236	1.8
255.19611	3.1
257.17502	7.5
267.07211	10.8
268.07480	3.7
269.07794	2.9
269.13992	1.6
401.21872	2.2
417.24841	1.7
419.22922	5.9
431.09787	1.8
461.23901	4.6
463.67017	1.4
503.25385	1.8
520.21173	24.0
521.21301	23.2
521.26434	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	520.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07709	6.2
57.81016	7.3
59.01245	32.6
65.00206	15.2
65.99721	7.7
71.01248	11.5
71.57717	10.6
71.58086	8.4
74.02341	18.2
79.01754	7.1
80.11866	7.2
89.02337	8.4
93.03342	7.2
95.01269	21.1
99.00743	33.6
107.01270	14.1
108.02052	8.8
109.02851	44.0
111.00765	28.4
121.02834	20.1
123.00786	33.2
124.01588	10.7
125.02336	25.0
133.02846	7.4
134.02365	22.1
135.00787	10.2
136.01550	47.5
136.98706	9.3
137.02322	22.2
139.00249	32.9
141.01843	10.4
145.02898	11.7
148.01549	33.4
149.02313	37.5
151.00273	31.2
151.03918	58.8
152.01038	15.7
152.04280	20.1
153.01891	37.6
161.02365	17.0
162.01875	20.4
163.00273	16.3
164.01065	13.0
164.03374	14.4
164.98158	8.9
165.01819	29.2
165.98953	9.7
166.99803	49.8
169.01360	12.5
170.14191	8.0
175.00291	20.2
175.03793	7.9
177.01871	16.9
178.01192	9.1
178.99750	37.8
180.02902	21.9
186.01833	12.3
187.03836	10.5
188.03262	10.7
189.01837	14.4
191.03528	11.9
192.00587	32.4
193.01384	58.9
194.99246	14.2
199.04010	8.9
201.01891	9.6
202.01390	31.2
203.01810	8.3
204.02890	10.7
205.01389	8.5
206.00815	15.5
207.51115	9.0
215.03372	23.3
220.02466	23.2
230.00876	16.7
231.02921	13.8
243.02954	16.0
246.00523	10.9
249.04163	8.2
255.03131	11.5
271.02621	38.4
272.03107	10.6
283.02423	13.2
285.03879	16.1
286.03531	11.8
287.01932	27.3
288.02686	12.2
289.03488	17.1
294.04013	9.7
299.01938	14.5
301.03583	21.3
310.03741	13.7
311.01758	10.8
312.05188	8.9
315.01459	38.1
316.02255	18.3
317.02902	9.7
329.03009	23.2
338.02985	34.0
339.07236	27.0
347.04019	9.6
355.03369	30.8
355.07138	10.1
356.04071	61.3
357.08224	31.3
357.13419	20.3
358.13739	40.3
371.06042	8.9
373.04266	18.6
374.05096	26.8
383.06418	9.2
384.09579	37.2
384.13474	7.8
394.07700	30.5
410.07297	13.0
465.35159	8.0
493.09790	32.6
502.10217	49.3
520.10883	100.0
520.28204	14.8
521.12109	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	520.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50722	1.4
55.01740	2.1
57.03325	2.4
58.02821	2.0
59.01257	18.7
59.98811	1.6
60.95985	1.6
62.62909	1.6
63.02281	3.9
65.00195	4.6
65.99721	5.5
68.01297	2.1
69.03349	3.3
69.65617	8.8
69.66032	3.8
71.00863	2.2
71.01254	17.8
71.37685	1.5
72.36012	1.7
72.99200	3.6
73.02824	3.6
75.00751	6.1
81.03355	3.1
83.01283	4.2
85.02825	11.9
87.00772	3.0
88.38935	1.8
89.02322	7.4
93.03349	5.8
95.01279	3.7
96.95889	17.7
97.02872	1.7
98.19878	2.4
99.00779	4.8
99.04435	2.0
101.02329	6.1
107.01260	6.4
108.02107	2.9
108.08073	1.8
109.02855	17.8
111.00774	3.1
113.02337	5.9
119.03413	1.8
121.02856	7.5
123.00781	6.1
124.01569	5.0
125.02361	4.9
133.02879	3.0
134.02394	6.9
135.00819	4.2
137.02373	16.6
139.00282	3.7
139.03906	3.9
141.36774	1.7
145.02811	2.8
146.02394	3.2
147.00774	3.3
148.01572	22.5
149.02341	12.6
151.00285	22.1
152.01028	5.7
153.01855	4.3
158.02455	2.1
160.00293	3.7
160.04007	2.3
161.02385	3.7
162.01843	19.2
162.03050	2.9
163.00288	11.5
163.02626	3.7
163.03862	3.9
164.03409	11.7
165.01895	5.0
165.99028	2.1
166.99693	3.6
167.03426	3.4
173.04648	2.0
174.03127	1.9
175.00273	4.2
175.02560	2.2
175.03934	4.2
176.01035	4.1
176.03421	2.5
177.01862	46.7
177.70078	1.8
178.02422	3.3
178.99829	11.9
179.03426	2.1
186.01857	8.9
187.02493	2.3
187.03976	2.7
189.01953	3.0
190.01376	11.5
191.02214	5.6
191.05586	6.5
192.00586	2.3
193.01379	5.1
196.06119	1.7
199.03999	5.1
202.01367	4.0
202.99860	8.9
203.01813	3.0
203.03613	2.7
204.03000	36.3
205.01254	2.5
205.03284	2.2
206.99336	1.9
207.02914	2.5
213.01920	2.2
215.03453	3.4
219.02853	2.6
227.03392	4.8
230.00897	13.5
231.03094	3.4
233.04607	3.1
241.04988	2.1
242.02248	2.9
243.03050	9.3
244.03572	2.0
245.04430	3.8
247.01237	3.4
255.03014	6.8
256.03745	2.2
257.04660	2.0
267.02908	4.5
268.02576	3.9
269.00882	5.9
269.04062	2.0
271.02469	27.1
271.05121	2.8
272.03156	7.5
273.03949	3.8
283.02408	2.5
285.04028	7.5
287.02109	4.8
288.02695	3.5
289.03290	2.0
294.04224	8.3
295.02426	4.2
296.05560	2.5
299.01923	33.6
300.02545	11.8
301.03357	2.8
310.03696	3.7
311.04370	3.4
311.07727	8.0
312.02444	3.4
313.03491	15.3
314.04099	2.7
315.14490	2.4
316.02118	18.6
317.03021	31.1
318.03348	3.8
322.03580	18.1
323.04172	2.4
324.05093	2.4
329.08936	3.3
339.03918	27.8
340.00934	18.0
340.04657	51.9
341.05005	4.2
343.06851	3.7
355.06708	17.0
356.06937	2.3
357.04755	11.2
358.05896	10.7
359.15115	3.0
384.09354	34.9
385.09830	2.8
410.07217	24.8
411.07614	2.7
462.08026	3.8
463.08337	1.9
475.09503	1.9
479.08258	17.9
502.10037	37.5
503.10226	4.7
520.11005	100.0
521.11804	14.9
521.21771	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	519.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24544	0.2
50.66714	0.2
53.74874	0.2
55.70861	0.2
62.96268	0.4
70.71488	0.2
70.71848	0.6
78.95780	52.9
96.96844	6.9
112.91579	0.2
137.21796	0.2
139.12738	0.2
150.97934	1.8
152.99498	100.0
153.99829	1.7
171.00571	4.0
227.36330	0.2
365.26904	0.6
432.22351	0.7
519.27283	9.6
520.27686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03328	2.0
59.01255	100.0
60.01583	0.8
71.01257	12.4
73.02837	2.7
75.00762	2.8
78.95782	0.7
79.17068	0.7
83.01266	1.9
85.02825	9.0
87.00768	2.5
87.04401	4.8
89.02326	3.8
93.03362	0.8
95.01276	1.5
99.00768	2.7
99.04385	0.8
101.02314	4.8
109.02855	0.8
111.00790	0.8
111.04459	0.7
113.02341	9.6
113.03059	0.8
119.04951	1.4
121.02870	0.7
125.02345	1.3
134.03725	0.9
135.04442	2.3
137.02411	0.9
137.06067	1.0
151.00307	2.7
151.03929	1.1
153.01845	0.7
155.07141	0.8
160.01666	1.2
161.04532	2.1
163.03996	1.0
175.03999	1.3
181.05042	2.9
191.05574	0.8
231.05064	0.9
249.06079	3.4
255.02971	1.1
267.07303	3.0
269.17554	1.4
271.02548	1.7
271.06262	2.2
300.02716	4.3
315.05075	5.0
325.68802	0.9
337.09332	1.3
343.10358	1.5
399.23856	10.2
400.24261	1.2
417.24911	2.6
428.22665	0.7
459.29730	2.1
477.31000	1.0
519.15527	1.3
519.24628	17.8
519.31866	2.9
520.25159	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	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67855	0.4
54.10559	0.4
54.27997	0.4
55.01751	0.6
57.03324	0.5
59.01252	100.0
60.01591	0.9
69.50175	2.9
69.50606	0.7
71.01255	12.0
72.99184	0.5
73.02824	3.5
75.00761	1.2
83.01279	1.4
85.02829	5.2
87.00739	1.1
87.04385	0.7
89.02317	3.3
95.01275	0.8
98.20555	0.9
99.00769	1.5
101.02317	7.5
101.02912	0.6
111.00772	0.6
113.02331	5.8
116.61491	0.4
119.03438	2.0
123.00806	0.9
125.02390	0.8
134.03654	0.6
135.04422	3.1
143.03415	0.9
149.99522	1.4
151.03918	0.5
155.10727	0.6
159.02896	0.7
161.04506	1.8
179.05688	0.7
248.84279	0.5
249.06274	1.3
267.03033	0.7
267.07184	2.1
271.02557	0.9
282.05347	2.5
285.04208	1.4
285.48810	0.5
297.07733	1.4
300.06308	2.3
314.04391	0.8
315.05267	0.4
315.08743	6.6
316.09219	0.6
357.26556	2.4
381.22958	0.6
399.23862	4.7
400.24243	0.7
417.24820	3.5
418.25400	0.6
447.65341	0.5
459.26187	1.5
477.23605	1.2
519.24762	6.0
519.31915	3.9
520.24878	1.0
520.32202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3175
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01770	0.5
55.61721	0.4
57.03304	0.9
58.00455	0.5
59.01256	16.5
66.17236	0.3
69.51640	2.6
69.52046	0.6
71.01259	10.9
71.04898	0.5
72.99180	1.0
73.02823	1.8
75.00760	0.5
83.01257	1.3
85.02832	4.4
87.00756	1.2
89.02312	5.5
95.01276	1.0
98.19769	0.7
99.00768	0.8
101.02335	5.8
110.39203	0.3
113.02335	3.2
119.03421	1.9
141.15709	0.4
141.28212	0.4
185.11761	2.1
246.23631	0.4
297.24280	0.8
309.24249	1.9
321.24350	0.5
327.25409	5.5
339.25424	9.0
340.25787	1.2
357.26474	17.0
358.26877	1.7
372.31256	0.4
411.56903	0.4
501.30582	1.1
519.31769	100.0
520.32129	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	519.2081
Annotation	Suspensolide E
Peak:m/z	Relative Intensity
55.01757	5.1
57.03309	6.7
58.00460	5.2
59.01252	100.0
67.01757	5.4
69.03316	3.4
69.30195	19.6
71.01256	94.3
72.22443	1.9
72.99178	10.1
73.02818	14.9
75.00757	4.2
83.01257	11.9
83.04910	2.2
85.02827	39.3
87.00754	30.2
89.02319	70.8
90.42217	1.7
93.03336	25.4
95.01272	6.7
96.95872	3.5
97.02824	5.4
99.00748	7.5
101.02325	69.7
103.03905	1.9
109.02846	4.7
110.31760	1.9
110.74137	1.7
111.00765	7.5
111.04402	9.4
113.02332	45.5
115.00236	2.2
119.03396	27.2
119.08557	6.1
121.02811	2.1
125.02323	5.1
128.03406	2.8
129.01814	6.6
131.03442	3.4
137.02338	6.7
143.03464	10.7
147.02873	3.8
149.04497	4.3
153.01805	1.9
155.03381	3.6
161.04466	38.9
162.04831	2.3
163.07559	6.1
168.04230	3.4
169.46288	1.9
173.04477	64.5
174.04871	2.4
177.09125	5.8
179.05536	20.7
183.06433	1.9
191.05553	10.0
195.10182	6.6
196.20967	1.6
249.06100	4.4
267.07230	5.9
327.14532	8.3
339.14600	2.7
345.15552	13.6
357.15555	50.6
358.16104	6.3
448.31467	1.9
519.20844	93.9
520.14764	2.2
520.21210	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	519.208
Annotation	Suspensolide E
Peak:m/z	Relative Intensity
52.00217	0.3
55.01746	0.7
57.03325	3.4
57.52818	0.3
58.54741	0.3
59.01252	30.6
60.01583	0.3
60.99145	0.3
61.21991	0.3
66.62216	0.3
67.01760	0.3
68.99693	0.8
69.03317	0.9
69.92236	1.5
71.01255	15.4
72.99184	3.9
73.02813	1.3
75.00749	9.8
78.19994	0.3
80.02557	0.5
81.03336	0.5
83.01248	1.0
83.04932	0.5
84.02018	0.3
85.02821	15.8
86.03164	0.5
87.00750	7.1
89.02320	3.9
91.03852	0.4
92.22171	0.3
95.01273	3.4
97.06472	0.4
99.00764	7.4
99.04392	1.8
99.05531	0.5
101.02331	0.8
103.00253	1.6
109.06458	0.6
111.00760	0.6
112.01529	0.5
113.02334	20.5
114.02676	0.7
115.00272	1.7
117.01794	1.3
121.06434	0.4
125.02317	0.3
128.03418	0.9
129.01811	1.2
131.03423	0.3
134.03624	0.9
139.00279	0.4
143.04530	1.3
157.01315	1.1
160.00645	0.3
165.12798	2.1
175.02371	1.9
175.96088	0.3
178.02734	0.5
189.12814	2.1
191.10699	0.7
193.05025	1.8
205.07121	0.9
207.05054	0.8
207.13832	6.0
208.14169	0.6
209.11752	3.7
215.81584	0.3
231.05023	0.6
249.06139	10.6
250.06581	0.3
251.12781	1.4
254.07758	0.3
267.07205	30.1
268.07587	1.5
269.13898	2.2
272.09131	0.5
273.09332	0.7
288.06668	0.4
304.69553	0.3
306.07614	1.2
307.07947	1.4
343.17648	4.8
344.18094	0.5
353.10318	0.4
353.14676	0.4
457.20776	1.6
459.18768	3.5
460.19055	0.4
501.19864	5.1
519.20807	100.0
520.21088	14.4
529.56195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1722
Annotation	Swertiapunimarin
Peak:m/z	Relative Intensity
51.52158	1.0
57.03305	3.0
59.01250	21.3
67.05398	2.9
68.99667	1.6
69.03347	8.4
69.60155	9.6
71.00945	1.2
71.01255	13.0
72.99174	2.1
73.02812	3.0
75.00738	6.3
83.01237	1.8
83.27016	1.2
84.69353	1.5
85.02821	12.4
87.00743	4.0
89.02312	6.0
95.01256	3.6
97.02843	2.2
98.20529	2.2
99.00767	6.4
101.02325	3.0
109.02853	1.4
111.00755	1.6
111.04406	40.3
113.02320	11.9
113.99497	5.9
115.00259	2.6
117.01825	1.5
119.03373	1.5
119.08541	3.3
125.09603	4.1
129.01797	1.6
136.05147	1.2
137.02315	1.6
138.27083	1.4
139.00163	1.5
165.01791	2.9
168.04143	3.4
173.04482	4.2
175.02425	1.9
181.08617	19.7
183.06528	3.1
185.00778	1.4
195.06497	7.5
199.09697	50.3
200.10085	1.9
209.08102	5.4
249.06114	11.2
267.07193	4.6
269.10385	1.8
271.11032	1.2
277.05630	5.6
309.08136	2.1
319.06375	1.9
327.14447	2.8
337.07727	2.7
341.10959	3.2
345.15472	4.7
501.15927	4.5
519.17047	100.0
520.17279	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.9
57.03312	5.1
58.00463	6.1
59.01252	73.4
67.01754	4.3
69.03345	2.1
69.77692	2.0
71.01256	51.2
71.57056	1.5
71.57464	1.7
72.99186	9.7
73.02820	13.3
75.00753	6.8
81.03349	2.4
83.01259	8.7
83.04889	1.6
85.02824	24.5
87.00755	100.0
89.02312	28.7
93.03343	21.3
94.44043	1.6
95.01288	3.4
96.95914	2.7
99.00751	8.0
99.04394	2.0
101.02332	28.6
103.03869	6.8
109.02829	4.9
111.00755	11.9
111.04400	3.1
113.02340	15.1
119.03373	10.3
119.08566	15.0
127.03891	1.7
129.01828	18.2
131.03311	1.7
137.02312	1.7
143.03407	2.9
147.02887	17.4
147.08008	1.8
153.01808	2.5
155.03299	1.8
161.04500	8.6
163.06319	2.4
163.07526	13.7
168.04239	2.5
173.00832	2.9
173.04462	14.9
175.07547	12.9
177.09048	2.2
179.05484	5.0
183.06526	2.5
190.42274	1.7
191.05524	15.8
205.08784	1.9
267.07361	2.4
288.34290	1.6
289.76105	1.8
307.25766	1.5
315.14511	6.2
327.14566	18.6
328.15140	2.0
345.15591	9.6
357.15616	12.4
358.16339	1.8
369.52286	1.7
422.74924	1.8
519.21222	36.4
520.21002	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	519.1149
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
59.01255	41.0
69.29122	0.7
71.01255	11.5
72.99188	1.9
73.02442	1.3
73.02826	18.8
75.00761	4.8
83.01263	1.6
85.02830	7.6
87.00753	2.6
89.02330	5.6
90.05784	0.7
95.01266	2.3
97.02850	0.9
99.00758	3.5
101.02329	4.0
107.01263	2.1
108.02055	1.6
109.02853	0.9
113.02334	10.3
118.29988	0.7
119.03389	1.3
119.04872	4.3
123.04429	1.0
135.00719	1.0
135.04446	7.6
145.02864	1.0
148.01634	0.9
149.02301	0.9
151.00284	5.9
151.03900	4.2
161.04520	1.2
163.03899	0.9
164.01010	0.8
175.02467	0.9
190.02556	1.6
199.03893	1.7
205.05025	1.1
227.03485	2.2
229.66234	1.0
231.05051	1.0
242.01741	1.1
243.02983	7.5
249.06155	11.2
251.16521	0.8
255.02979	17.0
256.03378	1.2
258.85071	0.8
267.07010	0.9
269.17499	1.7
271.02515	40.7
271.06006	5.8
272.02878	4.3
299.01932	9.3
300.02759	100.0
301.03143	9.1
315.05127	89.8
315.08438	3.2
316.05426	8.7
323.09723	2.6
357.26511	1.4
367.10077	1.1
386.21320	0.9
399.23798	2.8
477.08920	0.9
484.85107	0.9
501.23642	1.4
504.08749	0.9
519.11462	15.3
519.24341	19.8
519.31708	5.5
520.11639	2.3
520.24512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1145
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
58.02850	1.2
59.00993	0.8
59.01250	9.4
61.98705	1.0
65.00193	1.0
69.50130	8.2
71.01251	5.5
74.02348	1.2
83.01254	1.5
85.02802	2.5
87.00745	1.7
89.02312	3.9
95.01256	1.4
99.00734	1.1
99.37654	0.9
100.64431	0.9
101.02335	2.6
107.01244	1.9
108.02044	1.8
113.02310	3.8
125.02190	1.0
128.03426	2.0
134.03632	1.1
135.00699	0.9
143.04530	3.7
145.02834	2.4
151.00269	7.0
151.03914	1.7
157.02957	1.3
161.02336	1.1
163.00288	1.6
178.99715	1.0
183.04414	4.2
187.03900	1.3
193.05013	1.7
194.09514	0.9
199.03911	8.6
199.05626	1.4
201.01840	1.8
203.03410	1.2
215.03380	4.8
225.05537	6.3
226.02573	1.3
226.05714	1.1
227.03442	9.5
242.02203	3.9
243.02953	31.9
244.03352	3.4
254.07848	1.7
255.02965	23.5
256.03137	1.3
257.04477	3.7
267.07117	1.1
270.01627	3.5
271.02475	57.0
271.67548	0.9
272.02847	5.2
272.08859	1.6
285.03967	9.7
286.04703	2.0
287.05563	1.5
299.01953	77.7
300.02667	35.1
301.03171	3.6
306.07538	1.8
307.07858	1.8
314.04312	59.5
315.05087	100.0
316.05417	9.2
327.04761	0.9
357.06067	1.5
519.11365	46.3
519.20483	3.1
520.11768	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	518.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58964	0.1
59.01260	0.2
62.96289	0.3
74.29807	0.1
78.95781	47.2
80.16831	0.1
86.40621	0.2
96.96848	5.7
98.20556	0.5
103.65673	0.2
150.97928	1.6
152.99500	100.0
153.99843	1.3
171.00562	4.0
203.59790	0.1
229.64041	0.2
254.19910	0.2
277.21634	0.8
278.22110	0.2
431.22037	17.2
432.22342	2.0
518.18384	0.3
518.25317	2.6
519.26581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.4
58.58200	1.3
59.01250	11.7
65.00191	1.8
69.03294	1.9
69.34884	10.1
69.35298	2.4
70.96694	1.1
71.01254	8.8
83.01237	2.4
85.02830	4.6
87.00739	3.1
89.02316	3.8
93.03349	2.2
95.04992	1.3
99.00794	1.9
101.02331	3.0
107.01286	4.6
108.02056	9.2
109.02843	8.4
113.02303	3.8
121.02887	5.0
148.01668	1.3
149.02336	2.7
151.00269	21.2
152.01053	11.0
153.01842	6.4
163.00296	5.5
164.01027	1.4
166.02640	2.4
169.01294	1.3
175.04018	1.4
177.01814	1.9
178.99820	9.2
185.06061	1.5
187.03922	1.8
190.99760	1.5
205.04979	1.6
211.03911	2.6
211.13474	1.7
213.05293	1.4
225.05528	1.7
226.02467	1.6
227.03473	4.8
236.80299	1.4
243.03004	11.2
244.03294	1.9
245.04492	2.9
249.06128	1.4
254.02174	2.2
255.00255	2.0
255.02971	35.0
256.03516	3.6
266.02219	1.6
267.07181	4.8
268.07526	3.4
269.07782	1.3
271.02478	55.2
272.02905	4.8
273.04001	2.6
283.02478	4.2
299.01767	2.2
300.02756	100.0
301.03488	80.2
302.03833	6.8
309.07904	1.4
315.05026	3.0
333.99445	1.5
447.09314	86.7
448.09595	12.9
518.19647	1.8
519.19647	7.1
520.12042	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	517.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.5
57.03321	5.4
59.01250	44.1
61.98694	2.8
69.03329	3.2
70.73486	2.2
70.73856	3.0
71.01259	18.8
72.99188	3.7
73.02815	4.0
75.00751	14.1
76.73477	1.2
81.03332	5.0
83.01254	9.4
85.02818	13.1
87.00761	4.3
89.02295	7.2
93.03347	2.6
95.01254	3.2
95.04919	4.3
97.02840	12.1
97.06524	1.3
99.00754	6.2
99.04447	1.5
101.02303	8.4
108.02035	1.7
109.02840	27.8
111.04398	1.3
113.02330	12.2
119.03378	2.0
119.04922	2.3
121.02856	16.0
122.03636	2.0
123.04414	26.2
125.02342	24.8
125.09634	2.9
134.03636	3.2
135.04431	4.4
137.02354	21.8
138.96996	1.5
139.03911	6.1
145.02885	3.6
146.03647	4.4
147.04323	1.8
149.02353	16.2
149.06029	1.5
151.00212	1.9
151.03932	10.3
159.04451	4.0
160.01611	2.2
160.05237	2.0
161.02325	4.4
161.04689	2.0
161.06006	8.4
162.03217	3.3
163.03905	4.2
163.11234	2.0
164.01064	5.5
165.01851	6.4
167.03432	2.7
175.03917	8.1
175.07565	3.0
179.03426	9.9
185.06093	1.7
185.11870	1.7
187.03931	7.4
188.04707	5.5
189.05444	1.5
193.05026	3.3
199.07616	1.4
202.06294	5.0
203.07057	22.3
205.05005	19.2
207.10265	2.1
217.08546	1.4
221.08156	5.3
223.13304	2.1
225.11314	3.5
227.07161	3.9
229.05037	1.7
231.03104	2.6
245.08176	29.0
247.06137	7.5
289.07184	100.0
290.07504	8.2
313.07126	1.9
317.00455	1.5
343.08093	1.7
355.25012	2.4
365.16074	6.2
367.08289	2.2
401.08759	5.3
473.18292	5.5
475.29150	2.3
499.19382	6.6
517.21082	99.1
517.30115	19.3
518.21393	16.9
518.29657	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	517.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76525	0.9
51.05476	0.7
57.03321	0.8
58.00473	2.5
59.01250	28.4
70.77116	2.1
70.77464	0.9
71.01256	8.3
72.99195	2.4
89.02320	18.9
91.03883	70.3
117.43056	0.8
249.54865	0.8
250.26472	1.1
253.09312	2.5
281.24863	15.6
282.25134	1.7
305.28525	2.5
307.30060	100.0
308.30368	11.3
325.31049	1.9
351.29025	55.0
352.29401	5.8
369.30096	58.0
370.30405	7.2
425.28433	0.7
425.32724	26.7
426.33102	3.3
443.33777	41.2
444.34052	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	517.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00450	2.1
59.00951	1.4
59.01254	26.6
70.47187	0.7
70.90177	2.1
71.01260	6.2
72.99172	2.2
81.25901	0.6
83.81941	0.7
89.02324	17.3
91.03889	67.8
92.04185	0.9
92.38334	0.5
110.40388	0.7
134.02377	0.7
161.46243	0.6
166.27177	0.6
181.42447	0.6
200.71373	0.7
305.28583	1.7
307.30072	100.0
308.30438	11.7
325.31216	1.5
335.00201	0.6
351.29059	53.1
352.29343	5.4
369.30115	56.8
370.30350	5.4
425.32755	26.6
426.33023	3.1
443.33817	40.6
444.34225	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	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13536	0.6
53.04433	0.7
55.01739	1.0
57.03320	4.8
58.00462	1.4
59.01250	42.5
67.01746	1.1
68.91258	0.7
68.99677	1.6
69.03326	1.6
69.24088	6.5
71.01252	28.6
71.04861	0.8
72.99170	4.7
73.02805	3.3
75.00356	1.0
75.00751	14.0
81.03316	1.1
83.01249	1.9
83.04873	0.9
85.02825	25.8
86.03161	0.7
87.00750	9.4
89.02321	10.2
91.03865	1.3
95.01262	4.3
97.02823	1.5
99.00761	9.6
99.04367	0.7
101.02306	4.0
103.00246	2.4
107.04936	0.9
109.02822	2.3
111.00769	0.8
112.01534	1.4
113.02331	39.6
114.02639	0.8
115.00240	2.8
116.92745	2.3
117.01782	2.4
119.03387	1.6
119.04925	1.8
125.02354	1.4
128.03416	0.7
129.01805	2.0
131.03389	1.8
135.04414	1.4
137.02364	1.1
149.02335	1.7
149.04558	0.8
149.91789	0.8
151.03864	0.8
157.01367	1.7
161.02179	0.9
161.09552	2.2
161.13228	2.1
163.03873	1.0
163.11182	1.7
175.02393	3.3
179.03415	1.5
179.10658	1.2
187.11206	2.7
189.09138	1.6
190.02628	0.9
191.05403	0.6
193.05069	0.9
205.04965	2.2
205.06836	0.8
205.12294	3.5
207.05003	1.2
223.05928	0.8
223.13356	1.9
231.05150	0.8
245.08211	1.1
247.05925	0.7
249.06123	17.7
267.07205	73.9
267.12027	1.9
268.07559	3.8
289.07147	4.2
313.03568	1.5
331.32440	0.7
341.16034	1.9
398.70847	0.7
455.19217	2.2
457.17438	3.7
499.18344	4.4
517.19250	100.0
518.19470	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	517.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	3.8
57.03331	4.1
58.00463	3.4
58.02850	3.3
59.01255	87.9
68.99702	3.2
69.03341	5.2
71.01255	78.2
71.58175	3.2
72.99184	9.6
73.02819	10.2
74.02347	3.2
75.00744	13.4
83.01269	8.3
83.04863	5.5
85.02829	36.1
87.00748	10.7
89.02325	49.3
93.03339	4.9
95.01265	4.0
97.02826	7.8
99.00777	14.5
99.05511	4.8
101.02344	13.9
101.48426	2.5
103.00291	3.1
109.02828	7.4
111.00797	2.8
113.02351	38.9
115.91953	6.1
116.92760	25.6
117.01880	3.7
119.04924	8.3
124.21355	2.4
125.02326	16.7
128.03441	9.7
129.01839	3.6
131.03387	8.3
132.02161	2.6
134.03636	8.6
135.04431	100.0
143.04555	16.8
145.02834	2.9
148.05197	21.9
149.04443	9.2
151.00305	4.3
154.30595	2.5
160.00568	4.7
160.01709	4.7
163.03923	6.8
163.07576	8.3
174.24998	2.4
175.03857	4.6
176.22574	2.5
177.03349	3.3
179.03415	91.8
179.04904	5.1
180.03777	3.8
180.60034	2.4
193.05016	5.0
194.31651	2.8
205.05063	3.6
233.06650	3.0
249.06158	15.9
254.07867	5.2
267.07227	63.4
272.08878	9.7
289.07007	4.2
293.08731	17.2
306.07660	30.5
337.09299	9.8
341.08801	4.2
422.91135	2.7
517.12268	5.8
517.19238	63.9
517.30127	2.9
518.19812	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	517.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62986	1.0
55.01762	2.4
57.03326	6.4
59.01253	21.8
67.01768	1.2
68.99631	1.0
69.03326	2.4
69.53956	9.1
71.01257	26.1
72.99184	26.2
73.02817	6.7
75.00748	20.1
83.01252	2.4
85.02827	36.3
87.00739	7.0
89.02319	9.0
95.01257	7.1
95.76302	1.2
97.02863	4.6
99.00758	6.5
99.08447	1.3
101.02322	9.4
103.00249	9.6
103.55759	1.1
104.37667	1.1
113.02332	39.3
115.00266	1.4
117.01798	1.3
129.01848	2.0
131.03360	6.2
133.01302	1.9
134.03621	5.2
138.01871	3.1
149.06070	1.5
157.01332	3.5
160.01514	6.6
163.03923	1.4
164.04727	1.4
175.02390	6.4
175.03932	10.8
178.02629	1.6
179.07106	1.5
185.00671	1.2
193.03473	100.0
193.04994	8.1
194.03806	1.8
223.24002	1.2
235.04552	29.3
337.03680	2.7
337.07758	48.5
338.08154	2.8
355.08813	19.3
356.09317	2.0
425.15680	1.2
517.15576	10.3
518.15833	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	517.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25848	0.5
55.01754	0.6
57.03326	3.5
57.70411	0.6
59.01253	26.6
68.99693	1.1
69.03320	1.3
69.78832	0.7
71.01253	24.0
72.99187	4.5
73.02807	1.8
75.00748	13.7
76.28117	0.6
83.01254	1.4
83.04907	1.0
85.02824	24.7
87.00755	10.2
89.02325	7.7
91.03900	1.1
93.03313	0.7
95.01258	5.2
99.00757	8.2
101.02357	2.9
103.00249	1.9
109.02831	1.1
111.00762	1.1
113.02332	34.5
114.02658	0.7
115.00258	1.8
115.92007	0.6
117.01807	1.3
119.03434	0.6
129.01830	2.1
131.03387	1.0
135.04410	1.0
148.41469	0.6
149.04512	0.7
151.00291	0.8
157.01340	1.0
161.09628	2.4
161.13261	2.3
162.98883	0.5
163.11227	1.1
164.81403	0.6
175.02403	3.1
179.03400	0.6
187.11218	2.5
189.09126	0.7
198.90308	0.6
205.07050	1.0
205.12335	1.7
207.05055	1.4
207.10069	0.7
223.13376	1.3
224.19508	0.6
231.05118	0.7
249.06126	16.5
255.02956	0.9
267.07205	90.7
268.07513	4.0
271.02496	1.1
300.02783	1.4
341.16080	2.6
455.18939	1.5
457.17419	3.0
499.18439	3.3
517.19257	100.0
518.12866	0.4
518.19672	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	517.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.1
59.01254	19.9
64.48798	1.3
69.03330	100.0
69.91461	3.5
69.91853	2.7
71.01255	19.5
72.99186	4.8
73.02862	1.7
75.00744	8.0
80.65115	1.3
82.39513	1.3
83.01255	2.6
85.02832	11.8
85.62814	1.3
87.00764	7.1
89.02317	13.0
93.03355	2.1
95.01273	4.1
96.95861	2.5
97.02242	2.2
97.02831	23.3
99.00764	27.7
101.02334	8.1
108.02037	4.4
111.00747	1.4
113.02343	11.5
119.03377	3.0
119.08518	2.0
121.02813	1.5
131.03395	1.9
132.02075	10.4
133.02834	2.0
134.03632	42.1
134.75449	1.3
138.01875	37.0
141.01840	5.6
149.02353	5.5
149.05965	6.6
159.45081	1.3
160.01575	43.6
161.01932	3.6
164.04642	4.8
173.04478	2.2
175.02641	3.1
175.03925	69.3
176.04514	2.8
179.07036	1.7
181.08656	1.6
185.00848	91.0
186.01184	3.4
191.05519	2.3
191.07069	4.4
193.01385	2.1
193.05005	51.4
194.05197	1.7
208.03748	4.1
221.81012	1.4
223.06052	3.2
231.84099	1.5
235.06139	11.1
237.93779	1.5
265.07175	4.7
295.08096	5.5
313.13181	3.3
331.13910	7.1
337.09314	5.1
339.01678	2.9
371.03894	3.3
430.67267	1.3
517.14728	35.1
518.15820	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
57.03310	0.1
58.00466	0.2
59.01250	5.7
60.59513	0.1
69.03314	0.1
69.33269	1.0
71.01254	4.2
72.99180	0.4
73.02808	0.9
75.00746	0.6
78.32612	0.1
78.95774	1.2
81.67343	0.1
83.01260	0.6
83.04888	0.2
85.02831	1.0
87.00731	0.7
89.02320	3.1
91.03893	0.1
95.01266	0.4
98.20504	0.2
99.00766	0.3
101.02328	4.2
104.97657	0.1
113.02332	1.7
115.03922	0.1
119.03384	1.0
125.02355	0.1
125.09705	0.1
131.03384	0.1
133.04953	0.3
140.17577	0.1
143.03397	0.4
152.99500	2.1
161.04462	1.4
179.05534	0.5
235.08257	0.8
253.09267	13.8
254.09583	0.7
261.22183	0.3
277.21570	0.1
279.23282	100.0
280.23627	10.3
371.60559	0.1
433.24091	0.3
512.29547	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1414
Annotation	Scytonine
Peak:m/z	Relative Intensity
52.41728	1.9
56.09046	1.8
57.03317	4.9
59.01253	30.9
69.03307	2.8
70.23343	4.1
70.23755	4.8
71.01257	32.2
72.99184	29.0
73.02824	21.2
75.00739	7.4
78.95801	3.1
83.01268	3.5
85.02830	38.4
87.00755	10.9
89.02322	14.7
95.01264	7.4
95.78965	1.8
97.93792	2.0
98.20411	2.2
99.00760	8.8
101.02321	16.2
103.00259	2.4
113.02338	63.0
114.02654	1.8
115.00250	5.6
117.01780	2.4
119.03387	6.0
125.02311	2.6
129.01855	12.6
131.03406	24.4
145.44962	2.0
154.61717	2.0
157.01367	10.3
161.04547	3.8
175.02402	57.4
176.02798	2.2
179.05490	10.2
185.76950	2.0
194.59509	2.0
269.89249	1.9
293.08582	2.3
337.07724	5.1
457.11856	2.5
493.73724	2.2
499.12698	4.3
517.14099	100.0
518.14545	10.2
526.85950	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1565
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
57.03328	2.4
59.01260	20.6
60.43942	1.2
69.03328	2.0
71.01262	21.2
72.99186	3.0
73.02831	2.9
75.00759	8.6
83.01270	2.1
85.02827	11.0
87.00762	10.9
89.02332	11.0
89.03854	1.8
95.01277	2.3
97.02768	1.0
98.20545	3.3
99.00790	3.8
99.51701	1.0
101.02338	7.8
108.02090	1.3
113.02339	15.3
117.03372	4.3
119.03421	3.3
119.04919	2.0
121.02821	1.4
132.02084	18.9
133.02846	2.6
134.03641	65.4
135.04027	1.9
137.02332	2.1
141.01782	1.5
143.03316	1.1
147.04411	2.3
148.05244	2.8
149.02347	2.2
149.04745	1.5
149.05997	10.9
150.06593	1.1
152.32977	0.9
160.01584	77.1
161.01991	3.2
161.04451	1.3
163.03984	1.6
165.16147	1.0
175.03943	100.0
176.04594	8.0
177.01974	1.5
178.02660	4.8
179.05702	1.4
191.05573	1.7
191.07021	5.9
193.05006	99.3
194.05368	5.0
206.04553	2.6
207.06586	3.3
217.05038	1.8
218.76241	1.0
223.06175	1.1
229.51190	1.3
233.06647	1.6
235.06079	28.6
236.06577	1.2
265.07159	9.2
287.53088	1.0
295.08252	12.7
296.08875	1.1
300.46609	1.5
323.09735	1.2
337.09402	6.6
338.09680	1.7
355.10327	3.9
356.11383	4.5
357.09296	1.0
449.03433	1.2
517.15881	38.5
518.15497	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	515.1924
Annotation	(2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
52.06066	1.5
57.03316	4.2
59.01254	54.4
61.98705	1.7
69.03328	3.2
71.01263	13.0
72.99196	2.7
73.02802	4.0
75.00734	5.2
81.03321	3.6
83.01252	7.9
85.02818	5.2
87.00733	4.0
89.02331	7.2
93.03333	3.0
95.01281	4.3
95.04897	4.6
97.02853	7.3
98.20494	3.5
99.00716	2.6
101.02311	7.9
101.37036	1.6
107.04887	1.9
108.01984	1.5
109.02850	27.8
113.02341	6.3
119.03368	2.4
119.04908	2.5
121.02829	7.3
122.03654	2.3
123.04411	19.6
125.02351	27.6
125.09595	2.2
127.52292	1.6
134.03624	1.8
135.04407	5.3
137.02345	23.6
138.03088	2.1
139.00298	1.8
139.03938	6.9
145.02815	1.9
146.03647	2.0
147.04372	2.0
149.02370	6.8
150.03072	1.7
151.03928	11.1
159.04393	4.1
160.01624	2.0
160.05215	2.9
161.02362	9.1
161.05984	8.8
162.03107	3.7
163.00250	2.4
163.03905	3.2
164.01070	6.6
165.01855	8.5
167.03410	4.3
174.03139	1.9
175.03931	5.3
175.07590	3.2
177.01842	1.6
177.05489	1.7
179.03406	9.2
180.06555	5.4
187.03937	6.8
188.04683	5.9
196.96732	1.8
202.06177	3.0
203.07062	19.8
205.05008	17.4
207.10143	2.4
211.13449	1.5
217.05000	2.2
221.08112	3.6
223.13292	5.0
224.13666	1.9
225.11230	2.2
227.07047	2.9
229.76163	1.8
230.06012	1.8
231.02895	2.3
245.08153	28.8
246.08577	3.4
247.06041	3.1
267.12247	1.8
271.06152	2.1
285.04150	1.9
289.07190	97.7
290.07462	7.6
304.05502	1.5
309.13446	5.6
353.23309	2.1
363.14240	3.7
424.24176	1.7
497.18314	4.6
515.12128	4.1
515.19220	100.0
515.28387	8.4
516.19635	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	515.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56580	0.7
53.80230	0.8
57.03313	1.5
59.01256	19.9
64.28368	0.8
68.99670	0.9
69.36006	8.5
71.01257	6.9
73.02809	2.7
75.00775	0.9
81.03331	2.4
83.01269	5.4
85.02840	2.7
85.28265	0.8
87.00741	1.0
89.02322	1.4
93.03345	6.1
93.07023	1.8
95.01285	1.6
95.04921	1.2
97.02851	1.4
101.02338	3.0
109.02856	1.9
113.02333	1.0
115.16431	0.7
119.04937	9.8
121.06468	2.8
121.07241	0.8
123.04407	3.4
125.02300	1.5
128.03452	2.3
135.04404	1.9
139.03922	2.5
147.04410	1.1
151.03893	1.1
159.04442	0.8
161.04497	1.1
161.05864	0.8
161.09601	2.9
162.03055	0.8
163.07584	1.0
167.03401	4.1
169.12219	1.3
173.05936	1.1
175.03966	1.0
175.11243	2.3
177.09175	2.5
185.09645	1.0
185.11725	1.0
189.05537	8.5
201.05234	1.0
201.09183	1.4
203.07072	1.0
203.10730	6.2
205.08626	3.6
207.10204	1.1
209.11714	1.9
211.13368	2.8
217.12428	2.1
219.10162	3.6
231.10185	1.1
235.09763	1.4
245.08119	1.2
245.11812	3.6
247.09756	12.0
248.10129	1.4
259.09756	4.9
261.11328	7.0
273.07693	1.2
289.07401	2.0
289.10770	13.3
293.21210	2.6
301.10812	2.5
309.20715	2.9
311.22223	2.8
353.13977	6.1
365.14093	2.0
367.15381	1.2
369.09534	1.6
395.15005	100.0
396.15378	13.6
407.14700	1.1
425.16055	29.0
426.16348	3.2
437.16104	1.1
455.26218	2.2
473.27673	5.5
497.18173	2.7
497.26804	0.9
515.19409	3.7
515.28589	22.9
516.28870	2.4
544.80389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	4.9
58.08778	1.0
59.01246	4.9
59.69003	0.9
69.03331	100.0
69.64449	2.7
69.64875	4.2
70.03658	2.3
71.01246	2.3
72.00772	0.9
72.99168	2.7
74.02352	1.0
79.01758	2.4
85.02817	2.5
88.95755	0.9
95.01260	2.0
97.02242	1.6
97.02834	20.7
98.13869	0.9
99.00764	28.7
107.01270	1.2
113.02327	1.6
117.14693	1.0
123.00822	1.2
125.02324	1.0
141.01854	10.3
147.83633	1.0
151.00264	3.0
154.99750	1.0
163.03896	1.4
178.99818	1.8
185.00850	76.3
186.01201	3.8
187.92328	0.9
191.43999	0.9
226.05135	1.0
271.02502	1.1
299.01874	1.9
301.03506	1.3
320.92697	1.0
338.02921	1.0
365.04068	7.1
366.04202	1.3
470.25800	1.5
515.09296	3.1
515.17194	15.9
516.10248	1.3
516.17896	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	515.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48350	1.1
57.03321	3.6
59.01251	21.3
61.98697	1.1
63.02265	8.6
65.00199	13.9
69.03335	2.1
69.26839	10.7
71.01266	7.3
73.02813	2.4
75.00762	2.0
81.03334	2.5
83.01260	16.3
85.02815	3.1
87.00777	1.2
89.02332	3.1
93.03338	1.5
95.01279	3.3
95.04899	2.8
96.95878	0.9
97.02836	5.8
99.00787	1.5
101.02321	3.4
107.01279	25.7
109.02838	14.1
109.06484	1.3
111.00755	1.3
113.02334	3.2
119.03379	1.2
121.02857	4.7
123.00822	2.1
123.04425	9.2
124.01557	12.6
125.02345	32.1
126.02658	1.5
137.02350	15.9
138.01857	5.9
139.00269	1.2
139.03905	3.1
139.07574	2.2
145.02850	3.6
146.03635	1.8
147.04393	1.6
149.02361	5.7
149.05963	1.2
151.00285	74.3
151.03877	7.6
152.01068	31.6
153.01834	12.8
154.62886	1.1
159.04414	3.4
160.01624	2.0
160.05183	2.9
161.02348	5.3
161.04599	1.7
161.05972	4.4
162.03082	2.0
163.00243	2.4
163.03931	1.6
164.01036	3.9
165.01880	5.3
165.05579	1.3
167.03406	1.5
169.01375	11.0
172.05156	1.4
173.06015	2.0
174.03180	1.7
175.03934	4.2
175.07481	1.7
177.01913	1.9
177.05504	4.6
178.99792	53.4
179.03392	4.8
180.00124	2.1
185.05994	9.5
187.03944	4.6
187.07579	3.5
188.04677	5.4
188.08369	3.0
189.05556	1.6
189.09142	3.4
190.02591	1.7
191.03403	2.9
191.49249	1.2
192.00536	2.1
193.01381	5.8
193.05096	1.0
201.05429	1.6
202.06320	1.7
202.32613	1.1
203.03479	1.1
203.07074	9.9
205.04968	8.1
209.47806	1.2
211.03917	1.3
215.07115	5.1
216.22598	1.3
217.05106	1.1
217.08620	4.0
221.08188	2.3
223.13358	2.0
225.05568	2.2
227.06929	2.0
231.02985	1.3
243.06638	1.9
245.08163	15.2
255.02916	2.0
256.03769	1.4
267.12457	1.4
271.02478	2.6
289.07199	58.8
290.07556	3.5
294.05069	1.1
295.09811	2.6
299.02133	2.6
300.02762	6.6
307.19168	1.3
309.13550	2.5
322.04779	1.2
323.09262	7.7
324.09631	1.5
325.10529	1.3
341.10211	2.6
350.07980	1.2
351.08694	5.9
363.14227	3.1
368.09003	3.8
369.09790	100.0
370.10147	10.1
383.07715	2.9
455.26178	1.7
497.17801	3.1
515.15735	68.3
516.14929	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70415	5.0
56.80499	5.9
59.01263	38.7
60.53649	5.9
69.38519	5.3
70.57273	18.9
70.57616	4.4
71.01260	41.2
73.02821	9.8
75.00750	8.6
78.95782	12.6
85.02843	14.2
87.00783	9.2
88.03931	13.3
89.02327	42.6
93.03334	11.6
96.66982	4.9
101.02329	21.2
111.00787	16.7
113.02324	18.1
113.52608	5.2
119.03407	12.7
129.01820	9.2
130.05040	8.9
131.08199	8.4
133.01387	5.0
142.99727	13.5
143.03378	16.3
147.44165	6.5
161.04443	7.1
172.06081	23.7
173.00813	11.3
173.04492	21.7
173.09247	10.4
174.04008	17.8
179.05525	25.7
185.35733	6.0
191.01900	5.6
209.86082	5.5
235.39240	5.1
244.23923	7.2
263.77814	5.5
341.10886	100.0
342.11298	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	515.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	7.1
63.02263	0.8
65.00210	1.2
69.51582	4.9
71.01261	3.5
71.66864	0.6
74.54465	0.6
83.01261	1.3
85.02836	2.0
85.34698	0.6
86.70056	0.6
89.02316	1.0
89.03858	0.8
93.58656	0.5
97.02813	0.7
98.19677	0.6
101.02322	0.8
107.01270	3.6
109.02856	0.6
109.06468	0.9
113.02356	1.8
125.02319	1.0
133.02866	0.8
135.00751	0.7
151.00293	11.2
153.01884	0.6
154.34413	0.6
157.02728	0.5
159.04436	8.7
163.00302	1.3
169.01295	1.3
171.04431	1.6
171.10277	0.8
173.06136	0.7
175.03931	1.2
177.09085	0.6
178.99763	7.0
181.12315	0.5
183.04428	1.0
187.03918	1.6
189.09087	0.6
199.03958	5.1
201.01921	1.2
203.03561	0.8
207.10237	1.5
209.11771	1.2
215.03432	2.1
221.09721	3.2
225.11192	0.7
227.03444	3.9
241.05225	0.9
242.02098	1.2
243.02956	6.5
255.02971	7.5
256.03522	0.7
267.07068	0.7
271.02478	52.5
272.02826	4.0
282.05502	0.7
284.03311	0.9
285.03979	1.2
293.04630	1.8
294.05237	1.4
295.09586	0.7
299.01971	100.0
300.02667	31.9
300.07706	0.7
301.03247	2.5
310.04837	0.9
311.05640	1.6
311.09329	2.3
313.03476	1.2
313.10907	0.8
323.09256	7.6
323.12866	0.9
324.09708	0.9
325.07239	1.3
337.43414	0.6
339.05048	3.4
339.08783	6.1
340.05524	0.9
353.06516	1.9
354.07120	0.9
367.08304	0.7
368.08987	43.0
369.09674	24.9
370.10056	1.5
446.08582	20.9
447.08829	3.0
514.28253	0.7
515.15576	34.5
515.28687	2.7
516.15906	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	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.4
57.03318	0.2
58.00461	0.3
59.01250	7.4
60.01569	0.1
69.03330	0.2
70.19115	0.4
71.01254	5.0
72.01581	0.1
72.99184	0.4
73.02821	1.1
77.57756	0.1
81.03308	0.1
83.01253	0.7
83.04900	0.1
85.02821	1.3
87.00751	0.6
89.02318	3.6
91.03907	0.2
95.01278	0.4
97.02838	0.2
99.00743	0.2
99.04399	0.1
101.02323	4.9
103.03860	0.1
113.02337	2.2
115.03886	0.1
117.49513	0.1
119.03389	1.1
121.43077	0.1
125.02357	0.2
125.62105	0.1
127.07544	0.2
131.03400	0.3
133.04933	0.4
143.03424	0.4
149.04509	0.1
152.99527	0.2
157.04970	0.1
160.59026	0.1
161.04446	1.9
161.05638	0.1
179.05527	0.8
233.22749	0.3
235.08145	0.9
253.09273	15.9
254.09621	0.8
259.20605	0.4
275.20175	0.3
277.21719	100.0
278.22061	10.7
278.99658	0.1
387.86832	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	513.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10197	2.3
57.40073	2.4
58.74771	2.0
59.01251	100.0
59.10405	2.0
63.93028	2.3
79.29336	2.2
80.73624	2.1
81.20765	2.1
98.19778	5.5
98.78504	2.3
101.05933	2.1
107.41389	2.3
145.90967	2.1
164.61580	2.4
277.21786	3.0
286.64938	2.3
404.21335	2.6
463.29266	2.4
513.32019	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79594	1.2
59.01254	100.0
60.01596	1.3
63.64671	1.1
65.70770	1.1
73.59752	1.0
93.16968	1.2
99.02119	1.1
133.74184	1.3
152.99509	1.6
172.33333	1.0
277.21799	3.6
291.08627	1.1
300.16190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.6
55.22581	1.2
57.03330	9.3
58.00478	1.2
59.01251	35.3
61.98705	3.6
66.41956	1.0
67.05391	5.1
69.03325	12.1
71.01254	38.6
71.04890	1.4
71.57839	1.2
72.99198	2.8
73.02826	14.0
75.00742	1.8
78.95789	2.0
80.36398	1.0
80.96388	5.4
81.03343	14.1
82.95984	6.5
83.01264	7.1
83.04897	3.2
85.02827	17.6
85.99972	1.0
87.00749	2.4
89.02306	7.0
94.97989	2.3
95.01276	2.0
95.04920	1.2
96.95879	1.0
96.97564	1.5
97.02839	1.8
97.06460	1.6
99.00770	5.8
99.04411	4.1
101.02311	13.2
103.03902	4.6
109.02853	4.0
109.06473	3.5
111.04406	46.9
112.04684	1.7
113.02307	3.5
113.05987	1.2
119.03438	2.1
119.08560	3.8
121.02869	2.0
121.10125	20.5
122.10424	1.6
123.04385	2.4
124.01475	1.5
125.02344	20.4
125.05990	3.6
125.09619	14.0
127.03915	3.0
130.08641	1.0
135.04414	1.8
137.09564	1.8
139.11157	2.2
143.04550	1.5
145.04916	2.9
145.90810	1.1
151.00267	5.4
151.07568	4.9
152.01035	4.5
161.04510	1.0
163.06180	1.0
163.07574	3.3
165.09105	9.1
166.98106	1.5
167.10699	2.5
169.01434	1.7
169.07254	1.7
169.08629	25.1
170.09027	1.4
171.10205	2.3
178.99803	5.8
181.08635	78.1
182.09003	4.6
183.10178	9.5
193.08546	1.8
195.10072	1.4
197.23302	1.0
199.09674	2.0
209.11798	5.1
211.09579	1.1
211.13338	4.0
217.06618	1.9
223.09610	1.6
225.11253	2.7
243.12331	1.4
273.04068	1.9
283.02448	2.3
285.17377	1.8
301.03635	1.9
311.14999	41.6
312.15311	2.7
327.14560	6.2
329.16043	100.0
330.16382	10.1
335.28259	1.2
410.71118	1.1
423.20239	5.6
467.26172	1.5
481.24469	53.8
482.24774	9.2
483.13098	5.9
493.24396	32.0
494.25037	5.1
511.17249	17.9
511.25751	7.2
512.18207	1.8
534.48663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47852	0.2
57.03331	0.3
59.01257	0.4
71.01308	0.8
74.90124	0.2
80.20106	0.2
83.04922	0.4
85.95438	0.2
97.06482	0.7
110.75268	0.2
111.08062	1.9
137.09579	0.3
159.98067	0.2
163.11246	0.3
165.12767	20.8
166.13132	1.1
183.13834	100.0
184.14182	5.2
201.14944	0.3
209.11795	4.5
227.12854	16.6
228.13239	0.8
283.15591	1.3
301.13110	0.5
301.16574	10.1
302.16858	0.5
314.42932	0.3
331.26437	0.7
367.00183	0.2
375.25519	0.4
449.29089	0.8
467.30014	1.3
468.30530	0.3
493.28082	1.1
511.29117	24.4
512.29498	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	513.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.2
69.03329	4.2
69.46713	2.9
71.01267	0.9
75.00760	0.5
81.03352	0.9
83.01267	1.2
85.02831	0.8
89.02332	0.7
92.08749	0.4
93.03308	0.4
94.52892	0.4
95.01285	1.5
95.23690	0.5
97.02845	2.9
101.02326	0.6
103.62042	0.4
107.01270	0.8
108.02061	0.9
109.02849	2.0
111.04398	2.2
113.02322	1.0
121.02820	0.6
123.00778	6.9
123.04424	0.4
124.01564	20.2
125.02346	56.1
126.02679	2.3
133.02898	0.6
135.04417	0.5
136.01546	0.7
137.02379	3.7
149.02408	0.5
149.99500	27.4
151.00259	2.4
152.01068	0.7
153.01900	0.7
164.75473	0.4
166.99846	0.5
167.03450	1.3
168.00562	60.2
169.01295	6.5
173.04424	0.5
179.03415	0.6
181.08618	0.7
261.07681	0.9
269.06833	0.5
287.07669	0.6
287.38339	0.4
313.05713	3.3
331.06790	2.1
392.42578	0.4
495.15231	2.2
496.15460	0.5
513.16138	100.0
514.10602	0.5
514.16479	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	513.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
57.03311	0.2
58.00461	0.3
59.01252	8.9
67.25814	0.1
69.38100	0.1
70.00367	0.5
71.01256	7.0
72.99174	0.5
73.02515	0.1
73.02820	1.2
78.95777	1.8
83.01247	0.7
83.04890	0.3
85.02343	0.2
85.02822	1.6
86.40886	0.1
87.00764	0.7
89.02321	5.8
90.93598	0.1
91.03888	0.3
92.21857	0.1
95.01241	0.4
96.96849	0.2
97.02814	0.3
98.19897	0.2
99.00751	0.4
101.02328	6.6
101.70377	0.1
103.03909	0.2
107.70968	0.1
111.00731	0.1
112.01470	0.1
113.02336	3.3
113.60519	0.1
114.02622	0.1
119.03397	1.3
125.02338	0.2
127.07533	0.3
128.89856	0.1
129.56273	0.1
131.03377	0.3
133.04970	0.3
143.03363	0.5
149.04395	0.1
152.98311	0.2
152.99492	2.9
157.05032	0.2
161.04468	2.5
161.05807	0.2
171.00517	0.2
175.94397	0.1
179.05521	0.8
183.65327	0.1
233.22771	0.5
235.08174	0.8
253.09273	20.2
254.09731	0.9
259.20642	0.3
270.06461	0.1
275.20230	0.3
277.21725	100.0
278.22079	11.4
278.25348	0.1
312.24643	0.1
431.21912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2543
Annotation	Cuniloside
Peak:m/z	Relative Intensity
57.03328	13.0
58.00459	5.2
58.09678	1.5
59.01253	37.0
60.84768	1.4
69.03326	18.5
71.00899	1.7
71.01257	22.0
71.04885	5.2
71.20737	3.7
72.99165	3.0
73.02824	11.7
75.00719	2.1
78.95747	1.7
81.03300	4.4
83.04879	3.6
85.02827	19.9
87.00771	1.7
87.04401	3.3
89.02309	5.3
93.06966	4.4
95.04897	3.1
99.00770	3.4
99.04408	3.7
99.08028	3.6
101.02303	4.5
103.03866	5.0
109.02825	2.8
109.06448	6.0
110.98436	1.9
111.04368	4.6
111.08027	7.2
113.05936	2.8
119.03365	2.3
119.08559	100.0
120.08869	4.4
123.08015	3.0
125.05950	3.2
125.09484	1.5
125.77596	1.7
127.03847	5.5
127.07566	21.0
130.35985	1.5
137.05994	16.1
139.11186	29.5
140.48601	1.8
145.04929	2.5
155.06975	7.7
157.55594	1.6
163.07564	65.9
163.11183	2.3
164.07782	2.3
165.09126	6.8
169.12271	1.6
171.10188	8.9
181.08568	4.5
183.10204	84.5
184.10510	5.9
193.12274	3.4
197.11786	14.4
207.10188	3.0
209.11797	16.5
211.13307	4.8
225.11282	27.7
225.14848	4.0
226.11525	3.0
230.12819	1.8
247.13477	2.6
269.13818	2.3
307.52924	1.7
309.13379	14.4
327.10989	2.0
327.14462	19.6
343.24783	17.2
345.15485	2.7
481.24161	2.6
493.24387	84.8
494.24649	12.6
511.25531	72.3
512.25940	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	511.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01863	2.0
57.03319	7.0
59.00988	3.7
59.01258	42.4
61.98684	3.4
65.98894	2.3
67.05402	2.7
69.03340	15.4
71.01260	33.7
72.99176	3.3
73.02834	12.3
78.95772	5.2
79.95582	2.5
81.03340	16.1
83.01282	4.5
83.04893	5.2
85.02838	17.8
89.02331	9.0
97.02760	2.6
98.19736	3.6
99.00756	7.0
99.04414	4.2
99.08071	3.6
101.02329	7.7
103.03919	2.7
109.06503	4.2
110.98433	4.9
111.04412	26.7
113.02380	2.5
119.03380	2.9
119.08579	2.2
121.10147	24.6
123.04438	3.5
125.09633	20.2
128.03404	4.9
135.04434	2.9
145.05014	5.4
151.07579	3.7
161.70018	2.2
163.07567	2.8
165.09117	6.7
167.01022	2.7
169.08617	29.1
171.10213	9.8
181.07100	3.9
181.08641	60.3
182.09038	2.9
183.10210	7.1
183.13831	6.6
185.02136	2.9
193.08641	3.3
193.12274	4.1
193.65041	2.2
196.68230	2.2
199.09665	5.8
209.11771	18.2
211.13339	13.1
225.11363	6.1
225.14943	6.9
227.12793	5.6
253.32608	2.3
311.15015	31.9
312.15335	3.0
329.16077	100.0
330.16415	8.5
340.11880	2.2
343.24802	30.4
423.20190	4.5
481.24503	53.0
482.24661	7.7
493.24426	23.4
511.18164	6.6
511.26819	15.6
533.29681	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	511.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.4
57.03324	5.0
59.01258	17.0
60.42587	0.9
68.99662	1.7
71.01256	28.6
72.99184	4.7
73.02814	4.4
75.00751	25.4
83.01257	4.2
84.02058	1.1
85.02828	34.2
86.03156	1.2
87.00768	7.4
89.02328	5.5
95.01274	3.5
99.00766	11.0
101.02323	9.3
111.00790	1.8
112.01564	1.8
113.02341	28.3
115.00287	2.7
117.01786	1.5
121.02904	1.1
148.69844	0.9
149.06009	1.6
156.00584	4.7
157.01332	2.0
161.04509	1.1
173.04471	1.3
175.02440	3.1
185.74284	1.0
229.47980	1.2
335.20743	2.4
407.51904	1.0
488.58447	1.1
511.23999	100.0
512.24292	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	511.2395
Annotation	Ethyl 3-hydroxyoctanoate 3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01757	4.1
57.03320	4.6
58.00470	3.0
59.01255	78.2
60.01592	1.9
67.77245	1.5
69.25744	13.3
69.26161	2.9
70.16190	1.6
71.01254	78.3
71.07532	1.5
72.99192	5.6
73.02813	13.2
75.00760	7.1
83.01265	10.0
85.02823	33.6
86.95602	1.5
87.00749	11.0
87.04386	1.8
89.02319	51.7
95.01276	5.2
98.20575	3.1
99.00796	8.3
101.02330	52.9
102.02670	1.5
104.02179	1.6
111.00733	1.6
113.02332	36.9
119.03400	27.1
123.17777	1.6
131.03403	5.6
143.03401	6.9
150.03159	1.6
152.17482	1.5
159.03026	2.0
161.02412	1.7
161.04478	29.8
179.05559	12.8
187.13316	12.0
191.09254	1.8
221.06641	10.8
237.51776	2.1
255.54022	1.9
263.07767	3.2
304.80939	1.8
349.18652	100.0
350.18808	9.0
440.72736	2.1
467.17554	3.8
505.69363	1.9
511.24472	59.6
512.24561	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	511.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68957	0.6
55.01750	2.0
57.03325	3.6
59.01257	12.2
68.99697	1.1
69.03329	0.7
71.01257	19.2
71.57994	1.1
71.58365	0.9
72.99180	3.0
73.02818	3.0
75.00751	19.6
83.01262	2.4
85.02827	23.6
87.00755	6.4
89.02333	3.6
95.01260	2.6
99.00758	15.1
100.01555	3.1
101.02338	6.5
103.00238	0.6
105.75130	0.6
108.02035	1.2
111.00770	8.9
112.01548	0.6
113.02335	22.8
113.16480	0.5
115.00260	1.6
117.01837	1.3
123.04373	1.0
128.01036	4.2
129.01814	1.3
139.00296	1.0
152.00974	1.1
156.00557	47.0
157.01045	1.4
161.04486	1.1
167.03432	3.0
168.01958	0.6
171.13885	1.0
175.02411	2.7
175.52583	0.6
184.84595	0.7
195.77576	0.6
231.13930	0.7
282.41278	0.6
287.16782	1.0
335.20767	2.0
451.22369	1.1
451.33136	1.1
467.22852	1.0
511.24042	100.0
512.24420	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	511.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08624	0.4
51.29825	0.4
59.01253	13.0
61.98698	1.5
67.25614	0.5
69.03312	0.6
71.01256	7.0
71.58160	1.0
71.58542	0.6
72.05009	0.5
73.02822	4.1
75.00750	0.8
76.47738	0.5
79.95609	0.5
80.96389	3.6
83.01261	1.2
85.02840	3.3
86.12430	0.5
87.00756	0.9
87.04401	1.4
89.02328	3.0
93.03314	0.7
94.97983	0.8
96.95888	2.0
99.00746	0.9
101.02323	4.6
104.56191	0.5
113.02331	4.3
117.03371	1.5
119.04919	87.3
120.05270	2.4
125.02334	0.9
127.03944	0.9
131.03409	0.7
135.04543	0.6
137.02380	1.0
145.02869	8.4
161.04504	1.2
163.03925	100.0
164.04263	2.6
179.03372	0.5
179.05573	0.6
184.88686	0.5
204.06599	0.8
211.13364	2.5
225.00684	0.8
239.12717	1.1
253.13416	0.6
296.20657	0.5
297.12537	1.1
302.68851	0.5
325.09283	3.6
326.09766	0.6
349.16516	2.4
367.12448	0.7
396.19077	0.8
411.46301	0.6
436.18765	0.9
451.23483	0.9
461.20367	1.4
480.17203	0.7
493.23477	2.7
511.18677	6.6
511.25568	1.1
512.19904	2.2
533.29199	2.6
534.29688	4.5
535.29645	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	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.5
61.98700	13.3
65.00202	1.6
66.92142	1.3
69.42217	1.6
69.42538	13.5
71.01277	1.7
73.02822	1.5
83.01280	1.8
107.01286	4.2
108.02074	2.0
109.02831	3.5
111.00773	1.8
113.99522	1.7
121.02853	1.9
139.00296	2.8
148.01624	1.6
151.00275	17.2
152.00775	1.3
154.99670	1.6
163.00270	4.7
163.03865	1.5
167.11067	1.3
178.99774	8.4
182.99229	1.6
188.56612	1.4
192.47621	1.5
194.99295	1.8
196.01282	1.7
211.03810	1.6
225.82141	1.5
227.03488	2.0
229.05084	2.1
243.03070	7.8
245.04579	2.2
247.02489	1.8
255.02962	19.0
256.03433	2.1
260.63437	1.6
271.02466	34.1
272.02939	3.4
275.02246	1.4
277.57678	1.6
300.02737	65.2
301.03510	48.3
302.03888	4.4
447.09317	100.0
448.09567	9.0
511.09390	2.4
539.10693	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	511.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76799	0.5
53.10874	0.5
57.03332	0.9
59.01255	5.2
63.21312	0.5
63.96093	1.2
64.96911	0.4
69.03338	0.9
69.39862	4.6
71.01259	10.4
72.99158	0.6
73.02824	3.3
74.48447	0.4
75.00742	1.3
78.98473	6.6
79.33278	0.4
79.95607	8.3
80.96395	62.0
81.03326	0.8
83.01263	0.8
85.02816	5.6
87.00759	3.5
89.02325	1.6
94.76460	0.5
94.97968	15.3
95.01270	0.9
96.95905	2.5
97.02823	1.5
99.00771	1.9
101.02325	4.4
101.54806	0.5
106.97979	3.3
109.02823	1.7
113.02336	3.9
119.04922	3.0
120.99566	0.6
122.97472	5.9
125.02351	3.4
127.03912	1.8
134.97488	4.3
136.99062	1.0
145.04948	0.9
148.99052	5.6
152.98541	7.1
153.01820	1.8
161.04465	0.8
163.03935	3.5
164.98555	11.3
182.99599	2.5
183.13794	0.7
206.99612	2.8
211.13356	6.8
212.13623	0.9
225.00699	15.6
226.01073	0.5
243.01730	1.3
297.12347	0.6
299.04504	2.8
335.11435	0.6
419.43427	0.6
436.19086	0.6
461.20523	1.5
493.22842	2.5
511.18512	100.0
512.18933	13.7
533.29718	2.9
534.29755	3.8
535.29755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76789	0.3
71.00628	1.1
72.23412	0.4
76.24063	0.4
78.95781	20.4
93.78859	0.3
96.96828	1.4
126.94238	0.4
152.99501	33.5
153.99809	0.7
171.00572	1.8
227.03185	5.5
245.04364	3.9
281.24872	100.0
282.25229	10.2
417.24329	1.2
509.28867	49.4
510.29163	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	509.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.6
57.03333	5.7
58.00478	1.3
59.00950	1.3
59.01250	22.1
61.06537	0.7
64.99291	0.7
69.03329	1.6
71.01256	25.9
72.99188	7.1
73.02834	2.7
75.00746	24.9
80.02569	1.0
81.03335	2.5
83.01268	2.8
83.04915	6.1
84.02048	1.8
85.02827	29.5
87.00755	11.4
89.02312	6.3
93.03377	1.0
93.13288	0.8
95.01269	7.8
95.04881	1.1
97.02852	0.8
98.54059	0.7
99.00755	14.8
101.02319	2.7
103.00261	2.9
108.02059	1.2
109.02871	0.9
111.00745	1.2
111.04398	0.9
113.02335	33.0
115.00263	2.9
117.01832	3.0
119.04956	1.0
121.02889	1.1
125.02328	1.8
125.05975	1.3
129.01840	1.5
131.03423	0.9
135.02924	0.9
135.08087	1.0
137.02298	1.3
138.05533	0.7
139.00288	1.8
151.00224	0.9
157.01358	1.0
160.01595	1.2
163.03870	1.4
163.11186	4.4
165.12791	3.6
173.04430	1.5
175.02454	4.2
175.03853	1.3
191.10706	1.2
194.00864	1.3
195.01260	0.9
205.07094	2.2
209.11768	80.8
210.12077	4.5
227.12845	7.4
229.47342	1.0
233.06602	2.0
249.06168	6.5
267.07248	7.5
299.01559	1.1
345.05783	0.8
400.71115	0.8
447.09015	1.0
459.18832	3.7
477.19766	100.0
478.20059	10.9
509.22485	58.3
509.29352	3.7
510.08365	0.8
510.22849	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	509.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.4
57.03323	3.0
59.01254	17.3
59.73472	0.6
62.77974	0.6
69.28291	6.2
71.01258	22.4
72.99190	7.3
73.02816	3.5
75.00748	19.8
78.79498	0.6
79.64180	0.6
83.01259	2.7
85.02824	23.1
87.00752	5.8
89.02316	6.9
89.87663	0.5
95.01272	3.8
96.95827	0.8
97.02843	1.0
99.00765	8.5
99.98760	0.6
101.02328	8.8
101.47701	0.6
103.00227	0.7
109.02794	1.0
111.00761	1.8
112.01563	0.9
113.02335	23.1
113.36540	0.5
113.86662	0.6
115.00250	1.7
117.01842	1.0
119.03383	2.2
125.02285	1.0
129.01779	0.8
131.03406	0.8
134.03604	0.7
134.24573	0.5
137.02330	0.6
143.03412	0.9
146.03677	1.4
157.01321	1.6
161.04482	1.4
165.01839	1.6
171.13747	0.7
173.04492	1.4
175.02388	3.6
179.03450	1.0
179.05568	0.7
180.04123	1.2
185.56343	0.6
191.05627	1.3
195.06517	0.8
197.11720	1.2
333.19171	1.9
347.14923	0.7
443.69125	0.7
477.19455	1.4
491.20871	0.9
509.22403	100.0
510.22711	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.4
56.30383	0.8
57.03332	7.4
58.00482	0.9
58.20902	0.8
59.01252	40.6
59.89886	0.8
60.39067	0.7
61.98709	1.2
67.01764	1.7
67.04309	0.6
68.34989	0.7
68.99687	2.9
69.03326	2.9
71.01254	49.0
72.01590	1.3
72.99184	16.9
73.02826	8.0
75.00751	40.6
81.03305	0.9
83.01263	7.1
83.04920	1.2
85.02824	50.5
87.00754	13.3
89.02318	13.7
93.03350	1.3
95.01276	6.6
97.02841	6.0
98.20550	2.4
99.00755	12.5
101.02327	14.1
103.00253	6.2
109.02834	1.9
111.00787	2.4
113.02332	49.6
114.02700	1.3
115.00247	5.0
117.01805	4.1
119.03423	1.5
119.04933	1.5
125.02341	2.2
129.01817	2.8
131.03395	8.6
133.01270	1.4
139.00296	1.7
145.53288	0.8
149.04480	1.8
149.99504	1.2
151.00291	1.8
155.81514	0.7
157.01373	2.0
161.04446	1.1
163.03850	1.0
168.00575	1.3
169.01399	0.9
173.04472	9.5
175.02399	9.0
191.05562	2.5
193.03468	50.9
194.03929	1.4
209.11864	5.2
211.13461	0.9
215.05547	1.2
217.03607	0.9
228.10629	0.7
229.50766	1.0
235.04558	28.8
236.05199	0.8
254.60149	0.8
255.03101	1.7
271.02524	3.1
279.07675	1.5
294.10071	1.8
300.02710	8.2
301.03589	5.9
324.04526	0.8
329.23260	2.3
337.07776	20.1
338.08371	1.0
347.24356	1.3
355.08801	5.7
447.09393	9.6
477.19803	4.9
509.22510	100.0
509.29727	18.0
510.23334	11.0
510.30038	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	509.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72779	2.4
55.01736	3.6
57.03319	9.8
57.23899	2.6
58.24025	2.4
59.01251	69.6
67.01785	3.6
68.10970	2.5
68.99703	3.8
69.03316	5.2
71.01257	100.0
71.57122	4.7
72.99188	37.1
73.02834	12.8
75.00749	67.9
82.91539	2.5
83.01247	12.2
83.04921	3.4
85.02827	84.7
86.03164	2.7
87.00751	37.6
89.02323	31.3
95.01254	13.6
97.02840	14.0
99.00758	26.3
101.02316	29.9
103.00259	9.8
105.87201	2.3
107.04913	3.2
108.02023	3.0
109.02890	2.9
111.00767	7.6
113.02335	95.2
115.00243	9.9
117.01815	4.4
119.03383	9.2
123.04421	7.8
129.01817	6.6
131.03418	16.2
135.04398	14.4
149.04372	4.3
153.05479	7.1
157.01317	3.6
161.04472	4.3
173.04478	20.3
175.02406	10.1
179.05482	3.9
191.05547	9.0
193.03473	40.7
225.42253	2.5
225.45978	2.8
233.06743	3.6
235.04582	29.1
244.04225	3.1
267.07208	3.0
315.10895	5.4
337.07907	14.7
339.64880	2.7
355.08777	7.4
357.36612	3.2
387.78540	3.1
459.15063	20.2
460.15433	3.1
465.16000	3.6
475.14484	7.7
491.14178	9.7
492.14471	4.5
509.14310	19.0
509.23303	13.9
510.16357	4.4
510.23392	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	509.1699
Annotation	Marikarin
Peak:m/z	Relative Intensity
57.03318	1.0
59.01257	6.5
61.98695	1.0
63.96113	1.3
69.03339	2.4
71.01261	11.0
73.02821	3.6
78.95791	4.5
78.98466	6.9
79.95607	12.3
79.96035	1.1
80.96395	73.7
83.01234	0.8
84.02048	1.7
84.57907	0.6
85.02824	6.2
87.00765	3.2
87.04395	21.6
89.02332	2.5
90.18256	0.7
94.97969	17.2
96.95908	0.8
97.02856	3.2
97.06489	3.9
99.00758	0.9
99.04405	1.0
101.02326	4.8
106.97972	4.4
110.98449	2.9
113.02351	2.4
121.19231	0.7
122.97468	5.6
125.02322	3.6
125.09639	0.8
134.97472	4.9
136.99026	0.9
148.99043	6.3
152.98543	8.3
160.01622	1.0
164.98560	11.4
167.01111	1.4
171.10208	9.5
175.03926	1.7
182.99583	3.3
185.02156	2.7
193.12239	4.8
206.99568	4.1
209.11768	5.7
211.13313	1.2
213.14973	1.9
225.00705	17.8
225.14911	5.4
243.01711	1.2
243.16107	2.8
285.04022	1.1
299.04510	2.9
341.23331	36.7
342.23898	2.2
377.21799	1.2
509.17120	100.0
509.25485	19.2
510.17334	12.4
510.25696	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	509.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.9
58.79724	0.6
59.01255	8.2
61.98696	0.9
63.96126	0.7
65.00195	2.0
69.28740	0.6
71.01255	7.8
71.49542	0.9
72.01580	1.0
72.99159	1.0
73.02828	2.0
78.95773	4.5
78.98463	0.9
79.95611	2.2
80.96394	14.8
83.01259	1.4
83.04905	0.8
84.02061	1.1
85.02843	3.3
87.00762	1.0
89.02331	0.7
91.01784	0.8
93.03368	1.1
94.97973	3.3
95.01282	2.3
95.04930	0.8
96.95901	1.1
97.02843	1.0
97.06458	1.5
99.00750	1.1
101.02340	4.1
106.97992	0.7
107.01219	0.6
108.02062	1.4
109.02834	1.2
110.98439	1.1
113.02333	2.7
121.02835	4.1
123.00751	8.7
124.01544	0.8
125.02300	1.1
125.09600	0.7
132.02124	0.6
133.02835	3.5
134.03639	23.9
134.97430	0.7
135.04419	100.0
136.04758	4.3
145.02797	0.8
148.98994	1.1
149.02356	1.5
149.99498	16.3
151.00212	2.3
152.01076	0.9
152.04645	0.6
152.98544	1.0
153.01744	0.7
161.02339	5.2
161.04451	0.9
163.00270	3.1
164.04672	2.7
164.98564	2.1
165.01849	3.2
167.01089	1.1
168.00568	1.3
169.01357	1.6
171.00668	0.7
171.10150	3.7
172.05229	0.8
174.03250	0.7
175.03961	1.8
176.04745	2.3
177.01881	1.9
178.02646	1.9
179.03455	5.6
179.07085	2.6
183.02924	18.1
183.04430	1.1
183.10202	0.6
184.03294	1.2
185.02295	1.0
187.35240	0.6
191.07117	1.1
192.04271	1.3
192.79860	0.7
193.12357	1.3
194.05806	4.3
195.04420	0.8
199.03938	1.9
200.04752	1.6
201.11176	0.8
209.08147	6.9
209.11790	3.0
210.01579	3.5
211.03955	2.7
212.04729	1.8
212.49725	0.6
213.05562	1.1
213.14885	5.0
223.03964	1.6
224.04559	0.7
225.00681	2.9
225.11305	1.3
225.14911	1.5
227.03462	9.3
228.04138	2.3
238.02734	1.5
239.03426	2.2
240.04227	8.8
241.04875	1.4
253.09224	0.7
254.02020	1.4
255.02963	0.9
255.06662	0.9
256.03748	2.8
257.04492	0.9
267.02936	1.2
268.03705	2.3
269.04614	1.5
270.05310	0.9
271.06113	0.9
281.04498	0.8
282.05371	1.7
283.05927	1.3
284.03302	8.9
285.04022	12.1
286.04779	1.8
299.05615	54.0
300.06348	37.5
301.07111	26.0
302.07584	1.8
315.08746	1.3
336.86105	0.7
341.23248	10.9
342.07321	0.7
342.23608	1.2
343.08176	0.8
343.11969	1.4
416.16290	1.9
478.16177	1.3
479.13559	1.1
491.13684	3.4
508.26355	1.2
508.35675	2.2
509.16623	21.8
509.25461	8.3
509.35870	0.8
510.18951	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	509.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95480	0.8
57.92086	0.7
59.01249	5.1
61.98681	0.9
65.00204	2.2
65.89287	0.8
71.01253	3.2
71.57937	0.7
71.58324	0.7
73.02802	0.9
78.95777	7.1
83.04900	0.7
85.02835	2.1
87.00768	0.8
89.02309	1.0
91.01759	0.8
95.01263	1.9
101.02332	1.3
108.02048	1.2
109.02843	1.0
111.00755	0.9
113.02319	2.2
119.04907	0.7
121.02845	4.3
123.00772	8.0
124.01550	1.3
125.02360	0.8
126.89372	0.7
133.02882	3.1
134.03635	22.6
135.04419	100.0
136.04721	4.6
139.11198	0.8
148.01659	0.8
149.02354	1.3
149.99495	16.9
151.00238	2.7
152.01030	1.1
160.01535	0.9
161.02367	4.0
163.00221	1.5
163.03819	0.7
164.04720	1.8
165.01828	4.0
165.12836	0.9
168.00526	1.1
169.01343	1.2
171.10184	2.7
175.03909	1.7
176.04712	3.0
177.01843	1.3
178.02664	2.2
179.03444	5.2
179.07008	1.8
181.08755	0.8
183.02925	17.1
183.04524	1.4
191.07088	1.3
192.04266	1.5
194.05769	4.0
196.05357	1.0
199.04001	2.1
200.04732	0.9
201.11229	1.0
207.06700	0.8
207.10175	1.4
209.08121	7.6
209.11774	4.9
210.01686	2.3
211.03975	2.0
211.13321	2.7
212.04839	1.1
223.03967	1.1
224.04793	0.8
225.11235	1.7
225.14983	0.9
227.03493	7.9
227.12950	0.8
228.04172	1.7
238.02661	0.9
239.03415	3.2
240.04248	7.1
241.04951	1.8
254.02174	1.2
255.06546	1.0
256.03772	1.8
257.04401	1.4
268.03766	1.3
269.04428	2.1
271.02548	0.8
271.06143	1.2
282.05325	1.6
283.06076	1.2
284.03265	8.5
285.04001	10.3
285.18658	2.1
286.04782	2.3
299.02203	3.8
299.05600	51.6
300.03027	1.7
300.06332	40.3
301.07135	25.5
302.07489	2.5
303.19653	2.9
311.22281	2.1
312.22580	1.7
329.17606	2.1
341.23346	1.3
342.07666	0.9
347.18555	1.5
479.13580	1.6
491.13611	2.1
508.26715	1.8
508.35748	0.7
509.14459	5.4
509.25842	7.8
523.68085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14624	0.5
57.03334	0.5
59.01248	1.6
61.98717	0.7
62.96293	0.7
66.36827	0.5
71.01259	0.8
78.16779	0.5
78.95779	100.0
89.02336	0.7
96.96846	7.7
97.02858	0.7
115.07523	0.7
125.09595	0.8
129.09135	1.0
137.13393	0.5
140.01074	6.0
145.02890	0.8
151.00250	0.6
152.99493	16.9
153.00757	1.0
163.11194	1.8
165.12769	0.7
167.14291	1.5
169.12303	1.3
171.00560	15.8
171.10190	2.2
181.12289	1.1
183.04308	0.6
183.13820	1.9
195.13847	5.1
196.03757	5.6
196.14192	0.7
197.11725	2.8
199.13385	1.3
209.11832	1.5
211.13345	2.7
214.04863	4.0
225.11241	0.8
227.12758	0.9
229.63821	0.7
242.15129	0.6
249.22240	1.1
254.02119	2.0
255.02739	3.9
256.03256	3.0
269.04648	0.8
271.02536	0.8
282.01672	2.3
283.02362	2.6
284.02744	2.2
293.21234	16.0
294.21536	1.4
297.04105	3.4
298.04495	7.5
299.02023	1.2
299.05148	3.2
309.20618	1.0
311.22281	62.6
312.22684	6.7
434.22964	1.2
508.26770	76.9
509.27176	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	509.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65745	0.4
57.03329	0.7
58.23220	0.3
59.01252	12.2
60.01602	0.5
61.01656	0.4
68.45526	0.4
69.03338	0.4
71.01257	3.6
71.01624	0.5
71.58024	0.4
71.58414	0.6
72.99140	0.4
73.02831	0.9
74.95413	0.3
75.00750	1.2
78.95779	0.4
80.96394	1.6
81.03336	1.3
83.01268	1.3
84.32012	0.4
85.02826	3.1
87.00762	0.6
89.02319	1.0
93.03349	1.2
94.03780	0.5
94.11458	0.4
94.97961	0.4
95.01273	1.6
97.02846	0.4
99.00768	1.0
101.02328	1.7
107.01247	0.5
108.02055	100.0
109.02878	19.6
110.03179	0.8
111.00745	0.6
113.02352	2.0
119.03439	0.4
119.04910	1.8
121.02844	2.2
122.03636	0.5
123.00790	1.7
123.04397	1.4
125.02347	1.3
127.00287	1.0
133.02856	0.9
135.00766	0.9
135.04431	0.9
136.05188	0.9
136.98665	0.6
137.02328	1.2
138.03156	0.4
139.00316	0.5
139.03905	0.4
141.01791	0.4
145.02852	1.3
148.05118	0.5
151.00276	1.3
151.03929	1.5
152.01060	54.6
153.01857	20.0
153.05452	6.0
154.02240	1.1
163.03902	3.0
165.01846	2.3
165.05440	0.5
166.02591	0.6
167.03400	1.2
169.01329	0.4
171.08121	0.7
173.04474	0.6
181.01418	0.4
182.02165	1.8
183.02721	0.5
191.05606	0.4
195.02908	0.7
197.04495	18.8
198.04858	1.0
199.30244	0.4
207.02911	0.4
211.06053	2.3
225.00758	0.5
225.04024	0.5
233.09436	0.4
273.07587	0.7
297.06204	0.8
300.02737	0.4
301.03650	0.5
341.08636	2.3
416.16306	0.4
434.17041	0.7
447.09106	0.6
471.12711	0.5
478.15915	0.7
508.28488	3.6
509.12891	56.0
509.28635	6.0
510.13147	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.8
63.69597	0.3
69.38324	1.6
69.38747	1.1
74.08561	0.3
78.95783	9.6
96.96833	0.9
98.20631	0.4
110.05878	0.3
119.05730	0.3
152.99503	14.9
153.99818	0.3
171.00600	1.5
227.03203	2.4
245.04327	1.7
261.22263	0.7
279.23303	100.0
280.23642	10.0
281.24854	1.6
282.25183	3.0
507.27280	18.0
508.27600	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	507.2815
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
52.53493	0.2
53.03216	0.2
53.83741	0.2
55.01761	1.2
57.03316	1.2
58.00482	0.4
58.70491	0.2
59.01256	98.1
60.01599	1.3
67.03940	0.2
69.03340	0.5
71.01259	11.1
71.57935	0.3
72.01595	0.3
72.99191	0.8
73.02824	4.4
75.00747	1.3
83.01270	2.5
85.02832	8.0
85.99959	0.3
87.00758	1.0
89.02324	1.5
93.03351	0.3
95.01274	1.4
97.02816	0.6
99.00762	2.0
99.08082	0.2
101.02327	9.2
111.00785	0.5
113.02338	6.0
119.03410	0.5
119.04932	0.7
123.04444	0.2
124.01581	0.3
125.02361	1.3
127.91924	0.2
129.09117	0.5
132.02101	0.2
134.03633	0.4
137.02325	0.3
137.09631	0.3
143.03418	0.5
145.02855	0.6
151.00359	0.6
152.01007	0.3
159.02908	0.8
160.01538	0.3
161.04471	1.9
163.03926	0.6
167.03348	0.3
168.00578	0.4
169.01411	1.0
175.03960	0.4
193.05037	0.3
205.04959	0.2
215.12947	0.2
223.16951	0.2
243.19557	1.0
285.20798	0.4
289.87607	0.2
302.03940	0.5
387.24051	1.1
388.24042	0.3
389.25311	0.6
405.24960	2.4
419.19025	0.5
429.25037	0.9
447.26074	3.4
448.26520	0.6
465.26959	3.2
466.27216	0.5
472.66888	0.2
489.27127	5.2
490.27258	0.7
507.28085	100.0
508.22092	0.5
508.28458	13.7
521.54053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57950	0.6
59.01255	17.7
59.45584	0.6
61.98703	0.6
67.06036	0.6
71.01258	6.4
71.79771	0.6
72.99198	0.7
73.02828	0.9
75.00745	1.0
83.01260	1.2
85.02824	2.7
85.42104	0.6
87.00774	1.2
89.02325	3.0
95.01337	0.7
98.19796	1.9
98.57343	0.6
101.02335	4.9
108.02066	2.7
109.02839	2.0
113.02327	3.2
119.03423	1.3
119.04916	4.5
125.02325	0.6
133.61818	0.6
134.03644	0.8
135.04402	3.8
152.01035	2.2
153.01794	0.8
161.04538	1.5
163.03920	3.8
167.03412	2.0
168.03815	1.2
179.03459	5.0
183.13850	6.4
193.12271	1.8
200.72740	0.6
211.13354	100.0
212.13715	5.4
253.09271	13.0
267.07227	0.7
275.17407	0.6
315.18228	1.8
316.05447	0.7
447.22333	4.8
487.26385	0.6
507.18729	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.5
58.00463	0.9
58.19140	0.7
59.01255	33.1
61.98700	1.7
62.41116	0.7
65.25401	0.7
69.03321	1.3
69.17323	0.8
71.01260	14.7
71.01622	1.6
71.57523	1.3
72.99181	2.8
73.02833	4.5
75.00743	4.0
78.95770	2.3
83.01255	2.7
85.02817	8.6
87.00758	3.0
89.02330	7.9
93.03336	2.4
95.01269	1.5
99.00752	2.6
101.02331	8.8
107.25301	0.8
108.02106	1.7
109.02839	1.0
111.00806	1.2
113.02327	8.7
114.25603	0.8
119.03408	2.1
119.04900	1.5
134.03610	2.1
136.07587	1.4
149.04482	1.1
149.31799	0.9
152.01102	1.2
157.08551	1.4
160.01564	2.4
161.04491	3.2
163.03903	1.6
171.08110	1.4
171.10207	1.1
173.04506	6.6
175.03938	3.4
183.13849	6.0
193.04994	1.7
193.12303	1.3
209.11830	1.0
211.13348	100.0
212.13745	6.3
249.07977	1.0
253.09286	14.7
277.09882	1.3
291.11298	1.7
296.12839	0.9
327.25330	2.6
331.14111	1.4
337.09402	2.6
345.26413	1.2
434.73514	0.8
447.22171	4.5
476.18542	1.6
477.19611	1.4
507.24304	9.5
507.31955	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	10.2
57.03329	13.1
58.00473	2.0
59.01253	60.8
67.01772	7.2
68.99698	19.1
69.03320	6.4
69.38725	13.3
71.01254	58.5
72.44588	1.5
72.99184	40.5
73.02821	7.5
75.00748	71.9
76.11531	1.3
77.21719	1.4
83.01258	26.1
85.02826	80.9
86.03153	1.7
87.00750	20.3
89.02316	20.6
93.03329	1.7
95.01265	42.0
96.99181	6.6
97.02811	3.0
99.00759	73.9
101.02323	25.5
105.26150	1.6
109.02832	2.2
111.00767	74.2
113.02332	52.8
115.00277	13.7
116.01004	1.8
117.01815	2.4
119.03380	6.6
125.02409	1.9
127.00288	1.6
129.01840	29.0
130.02182	2.2
131.03416	3.3
139.00272	100.0
140.00569	2.4
143.03334	3.2
151.00284	1.7
157.01344	24.2
161.04465	8.3
173.04419	1.9
175.02428	7.4
182.08975	1.7
183.10228	3.1
186.67833	1.4
187.13336	4.2
191.05577	3.0
216.32880	1.5
249.06078	2.4
258.13315	2.0
267.07193	4.8
296.76883	1.8
311.14963	1.5
315.14481	2.1
331.17801	1.7
349.18677	17.0
363.02017	1.5
429.17816	3.0
447.18378	2.7
471.18747	10.3
489.19785	46.2
490.20056	5.5
507.20847	81.7
508.20917	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	507.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99267	2.9
59.01255	16.3
65.22263	3.3
71.01254	14.3
71.32597	3.1
78.95786	14.9
79.90835	3.4
81.51221	3.3
88.69387	3.1
89.02332	3.8
98.17429	3.2
101.02331	4.6
149.02377	3.1
152.99527	5.5
171.10211	4.4
195.14227	3.6
197.11769	5.0
209.11641	3.7
211.13300	6.2
241.01363	7.9
270.01685	14.4
271.02411	3.6
285.03891	5.5
291.19687	19.7
297.04086	3.9
298.01364	4.2
309.20712	100.0
310.21030	11.3
311.22220	7.2
313.03629	25.5
315.04950	5.9
333.11121	6.2
333.20764	8.2
345.20642	4.2
348.13831	3.7
415.27222	4.3
498.98572	4.3
507.11389	10.3
507.25171	13.5
508.20709	62.0
508.27225	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	507.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.1
57.03098	0.5
57.03331	4.5
58.00444	0.8
59.01253	20.9
60.01572	0.5
61.68087	0.5
68.99716	0.7
69.03339	1.2
71.00845	0.6
71.01255	23.6
72.99184	4.0
73.02829	3.0
75.00748	26.8
83.01259	4.1
84.02026	0.8
85.02824	29.4
85.25859	0.6
86.03163	0.5
87.00758	7.9
89.02317	5.3
90.02589	0.5
95.01259	4.0
97.02837	1.4
98.20599	0.9
99.00760	8.5
101.02335	7.4
101.02980	0.4
103.00265	1.1
111.00793	4.3
113.02338	32.0
115.00250	2.0
116.05893	0.4
117.01825	2.0
119.03387	2.2
119.04889	0.5
121.02909	0.6
124.01569	0.8
125.02335	2.0
126.52419	0.5
129.01846	1.9
131.03406	1.0
134.03661	0.5
139.74106	0.5
141.01758	0.6
143.03418	0.7
149.99461	0.5
157.01349	1.7
159.02911	1.0
161.04469	2.3
166.05037	0.7
168.00578	1.2
173.04427	0.9
175.02408	3.6
193.03490	1.8
308.11639	0.8
331.17569	0.6
335.06326	1.3
337.07855	0.6
432.19141	2.0
447.18982	0.5
447.25974	0.7
465.26791	1.6
471.19293	0.5
476.18250	1.0
489.19641	1.0
507.20859	100.0
507.27673	6.5
508.10922	0.9
508.12457	0.9
508.21201	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	507.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71854	0.8
53.80270	0.9
55.01751	4.0
57.03328	10.9
58.00470	1.3
59.01251	37.5
60.85213	1.2
68.99658	1.2
69.03334	2.5
69.70392	2.5
69.70798	5.4
71.01254	51.4
72.99181	9.5
73.02821	4.7
75.00747	46.1
80.08454	1.0
83.01254	6.2
84.02036	1.4
85.02823	55.9
86.03158	2.4
87.00740	16.0
88.01112	1.0
89.02325	10.4
95.01265	6.5
97.02814	2.8
99.00758	18.1
101.02335	9.3
102.13206	0.9
111.00754	1.3
112.01550	1.4
113.02330	39.6
115.00251	4.9
117.01829	3.3
119.03320	1.8
129.01880	1.3
132.04446	1.5
133.05264	1.0
150.03244	1.0
173.04480	3.9
175.02390	3.4
186.09241	1.1
195.06514	1.0
267.07153	1.2
345.10925	4.0
389.17645	1.1
507.20828	100.0
508.21185	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.4
57.03326	7.5
58.00463	1.2
59.01252	51.3
60.01610	0.6
63.15178	0.5
68.99694	1.1
69.03323	0.9
71.01255	34.7
72.01579	0.7
72.99184	6.0
73.02817	5.9
75.00748	30.5
81.03336	0.6
83.01257	6.9
84.02052	0.6
85.02825	37.1
86.03180	0.8
87.00756	10.6
89.02322	7.2
92.39515	0.6
95.01281	5.4
97.02842	1.6
98.19798	1.7
99.00755	10.7
101.02322	10.5
101.60381	0.5
103.00262	1.8
106.06522	2.7
108.02101	0.8
109.02863	0.6
111.00771	5.5
112.01543	1.1
113.02332	36.1
114.02684	1.1
115.00278	3.6
117.01828	2.0
119.03386	1.6
119.04898	0.7
123.00768	0.6
124.01572	1.7
125.02346	6.1
128.03407	0.7
129.01866	2.8
131.03395	1.0
137.02332	0.9
138.06598	0.5
139.09604	0.6
144.92044	0.5
149.99500	2.1
150.05482	2.0
151.00291	1.6
157.01349	1.9
159.02821	0.6
161.04491	1.8
161.72000	0.5
167.03510	0.7
168.00583	5.1
169.01294	1.0
171.10136	0.6
173.04489	1.1
175.02380	4.6
175.03719	0.8
193.03505	2.0
211.13391	0.6
265.19009	0.6
285.20572	0.8
303.21805	2.5
311.66144	0.6
331.06738	3.2
335.06213	2.6
337.07486	0.7
350.97028	0.6
378.37271	0.6
389.25415	0.6
410.89740	0.7
447.19846	0.9
447.25784	4.8
448.26767	0.7
464.11899	2.5
465.27069	5.1
489.19635	1.1
489.26886	0.9
507.20822	100.0
507.28091	30.1
508.10690	3.1
508.21078	13.7
508.28409	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	507.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71579	0.5
51.58861	0.5
51.94178	0.5
55.01748	1.6
57.03324	6.2
58.00469	1.1
58.03662	0.6
59.01254	26.1
60.38524	0.6
65.09743	0.5
68.99698	0.6
69.03333	1.6
71.01254	28.8
71.57066	0.7
71.57480	0.6
72.01628	0.7
72.99183	5.3
73.02827	4.7
75.00748	29.0
81.03360	0.6
81.77605	0.5
83.01269	4.0
84.02094	0.8
84.37939	0.5
85.02824	32.5
86.03156	0.8
87.00748	7.8
89.02328	6.8
95.01254	4.2
97.02850	1.1
99.00755	9.2
101.02323	6.5
102.39643	0.6
103.00238	1.4
106.06523	0.9
109.02865	0.8
111.00770	6.0
111.08130	0.6
113.02333	33.5
114.02686	0.9
115.00259	2.6
117.01825	2.4
118.42540	0.6
119.03393	1.4
124.01563	1.0
125.02338	1.9
125.12257	0.7
129.01843	2.8
131.03371	0.9
141.01880	0.8
149.04453	0.6
149.41611	0.6
149.99509	1.5
157.01312	1.1
159.02893	1.5
161.04477	1.4
168.00539	3.4
173.04440	0.8
175.02403	4.6
175.03694	0.7
189.95636	0.7
193.03467	1.6
251.80667	0.6
286.99396	0.6
302.04443	0.6
303.21631	1.0
331.06573	2.0
335.06250	2.2
379.57089	0.6
447.25912	1.3
464.12024	1.3
465.27011	0.8
489.19809	0.8
507.20889	100.0
507.27866	8.5
508.11142	1.5
508.21246	12.8
508.28183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2521
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
57.03315	2.4
59.01247	11.7
61.98697	1.0
64.44536	1.0
67.40697	0.9
69.03331	1.9
69.25056	0.9
69.53754	7.6
71.01256	7.5
72.99191	1.3
73.02818	2.2
75.00739	2.6
78.95782	100.0
83.04890	2.1
85.02827	5.6
87.00774	1.5
89.02319	2.9
96.96851	6.6
97.02826	8.3
97.06448	1.9
99.00743	1.8
101.02319	4.2
103.05930	0.8
113.02371	4.6
119.03389	0.8
122.68075	1.0
123.04381	1.0
123.08022	0.9
125.09567	2.1
137.09659	1.7
140.01120	6.8
143.03291	0.8
152.99493	18.2
161.04439	1.1
163.11188	3.1
165.12764	5.4
171.00558	16.0
171.10240	5.8
179.14314	0.9
181.12296	1.8
183.13925	1.2
193.12338	1.1
196.03746	3.7
197.11821	2.4
209.11768	3.2
211.13364	2.0
214.04771	5.1
223.13177	1.5
227.12741	3.0
247.20651	4.4
267.07336	1.2
273.18649	1.8
291.19681	40.9
292.20065	3.9
309.20737	52.4
310.21252	4.4
344.15900	1.2
377.07022	1.0
505.33728	1.9
506.25253	88.1
506.33154	3.6
507.25162	19.6
507.33029	1.6
507.35773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.3
59.01259	8.6
63.02232	0.8
63.95247	0.7
65.00198	4.3
69.03307	0.7
71.01256	3.3
71.57899	0.6
73.02814	0.9
75.00736	0.7
80.59614	0.5
83.01259	4.3
85.02846	1.3
87.00731	0.8
89.02299	1.9
95.01237	0.9
97.02793	0.9
99.00735	0.9
101.02306	1.3
107.00636	0.6
107.01270	6.7
109.02847	0.7
111.00756	0.9
113.02325	2.4
114.02630	0.6
119.03387	0.7
119.04918	0.9
121.02817	0.7
124.01521	1.9
125.02335	10.1
127.92037	0.5
132.02026	0.8
133.02789	0.6
134.03636	0.7
135.00739	1.6
135.04382	0.8
137.02321	0.8
139.00284	0.6
139.03897	1.9
140.16193	0.5
148.01527	1.3
151.00281	24.7
152.00917	0.6
160.01558	3.1
161.02361	0.9
163.00294	3.0
163.03952	0.9
165.01855	1.1
166.05003	1.3
168.00572	0.6
169.01358	6.4
175.00348	0.8
175.03928	2.7
177.01942	1.2
178.99760	1.9
179.03209	0.6
179.05606	0.7
193.01286	0.9
193.04987	0.8
194.00960	0.7
198.03047	0.8
201.01744	0.9
214.02733	0.9
215.03404	1.0
217.01340	0.9
226.02603	0.6
229.01324	0.9
242.02167	1.1
243.03061	3.1
254.02220	1.5
259.02594	3.4
270.01724	2.5
271.02496	1.4
272.02740	0.7
287.01993	18.7
288.02386	2.3
298.01184	43.9
299.01901	17.7
300.02463	2.2
301.03348	0.8
301.10892	0.8
302.03500	1.3
303.04141	0.9
313.03534	23.8
314.03726	1.8
315.01465	14.7
316.01633	1.4
327.12537	1.6
330.00159	1.0
330.03824	9.8
345.06165	100.0
346.06467	10.0
472.54175	0.6
506.27206	1.0
507.11429	30.7
507.20001	3.4
507.27899	2.8
508.11557	4.2
508.17395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03452	0.5
59.01241	1.4
61.08137	0.5
69.03319	2.4
71.01266	0.6
73.02855	0.7
73.83601	0.5
75.40437	0.6
81.03338	0.6
83.01286	1.0
85.02820	1.1
85.93839	0.4
87.84292	0.6
94.04828	0.5
95.01266	1.4
97.02824	2.4
101.02333	0.5
107.01278	1.1
109.02829	0.7
113.02397	0.9
121.02860	0.8
123.00771	5.7
124.01565	18.4
125.02341	39.0
126.02714	0.9
132.02133	1.0
134.03639	6.6
137.02333	1.8
149.05992	0.9
149.99504	33.3
151.00235	2.4
151.68851	0.4
160.01573	6.3
161.02327	0.9
163.03960	0.5
165.01863	0.6
166.99751	0.7
167.03445	1.6
168.00566	66.1
169.01306	4.6
175.03944	11.7
175.05455	0.6
176.04266	0.5
193.04961	3.2
211.02432	0.6
214.21135	0.5
287.07785	0.7
313.05698	3.9
331.02707	1.0
331.06708	18.3
332.07059	1.2
337.09338	1.5
463.12479	0.6
489.10464	1.6
507.11447	100.0
507.27539	1.9
508.11710	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	5.1
57.03321	4.5
58.00471	5.5
58.23156	1.1
59.01254	93.9
65.60278	0.9
69.41943	9.0
70.53617	1.1
71.01257	100.0
71.04900	2.2
72.01591	1.4
72.99178	7.8
73.02826	16.1
75.00707	1.4
78.95319	1.4
78.95776	27.6
83.01260	10.2
83.04904	1.6
85.02830	36.0
87.00768	7.9
88.94749	1.0
89.02322	61.7
90.02621	1.0
93.66965	0.8
95.01262	9.0
96.95863	1.0
96.96851	1.7
97.02862	2.4
97.06430	1.0
99.00768	7.4
101.02328	81.1
101.86253	1.0
102.02686	1.6
111.00768	1.5
111.08040	1.4
113.02332	39.9
114.02676	1.7
119.03396	29.0
125.02367	3.0
131.03391	2.6
139.07526	3.3
140.01062	2.2
143.03404	7.9
147.11655	1.2
149.04434	1.6
149.13225	1.7
152.99518	5.7
153.12793	1.4
154.78622	1.0
157.12260	4.7
159.02933	5.7
161.04474	23.3
171.00583	3.8
171.13890	1.8
173.04640	1.2
175.27957	1.0
179.05544	7.0
183.06551	1.6
184.07062	1.4
185.06995	1.0
196.03766	2.1
197.11813	7.3
205.03421	1.2
206.97348	1.1
209.11758	12.2
211.13272	1.7
214.04810	1.4
228.31129	1.2
275.14890	7.4
279.23514	1.0
291.19772	6.8
293.22250	1.0
297.00696	1.0
301.03470	1.7
309.20728	20.8
313.27402	1.4
343.28531	21.3
344.28909	2.0
478.18253	1.3
505.10684	2.3
505.33987	56.8
506.25409	29.7
506.34195	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	506.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18739	9.8
59.01263	46.8
62.80573	8.1
65.00177	10.1
68.99684	7.6
71.01264	30.1
72.99174	12.2
73.02832	10.0
75.00757	12.7
80.47425	7.1
83.01231	10.8
85.02817	25.5
87.00753	12.1
89.02335	21.5
95.01286	14.8
99.00767	17.7
101.02339	12.6
107.01273	14.5
109.02858	24.7
111.00743	15.3
112.95759	7.9
113.02334	22.4
116.21581	8.1
121.02812	7.4
123.00788	27.0
124.01602	12.7
125.02332	29.3
133.02864	11.9
134.02373	8.3
137.02383	11.7
139.00240	21.0
148.01572	24.2
149.02364	19.0
151.00294	70.9
152.01060	12.7
153.01833	20.4
160.01556	11.6
161.02303	12.4
162.01912	18.3
163.00264	15.6
164.00998	12.5
164.98193	10.0
165.01779	14.7
165.98962	12.9
166.99780	17.0
169.01369	15.8
173.04367	7.9
175.03859	12.5
177.01801	15.0
178.99753	20.4
187.03972	12.8
189.01884	10.2
192.00626	15.8
193.01364	37.5
202.01433	9.6
220.02385	11.0
229.05035	8.9
243.02911	22.9
255.03099	11.5
271.02585	27.9
272.02972	18.1
280.36862	10.2
287.01993	37.1
300.02521	12.7
301.03403	42.4
315.01547	30.3
316.02026	22.4
325.05670	14.0
329.02847	14.9
338.02985	15.3
343.06845	10.1
347.03986	9.6
351.50873	9.0
355.03354	18.8
356.04016	41.9
374.04883	18.5
448.06326	9.8
479.08252	11.3
488.08429	28.5
506.09491	100.0
507.11496	61.3
507.20554	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00455	0.3
59.01263	1.8
64.50526	0.3
71.01237	0.4
71.50502	0.3
75.99260	0.3
78.95779	12.8
79.98153	0.3
80.10478	0.3
83.04914	0.4
96.96851	1.1
98.19727	0.4
104.18281	0.3
107.08872	0.3
152.99493	18.0
153.14819	0.3
153.99951	0.3
168.04300	0.4
168.52094	0.3
171.00586	1.6
227.03270	3.0
233.22792	0.5
242.07959	0.7
245.04315	2.0
259.20740	0.6
277.21735	100.0
278.22076	11.2
279.23318	11.2
280.23645	17.9
280.26801	0.7
281.23911	0.8
442.14191	0.3
460.22928	0.4
469.36108	0.4
505.25702	24.1
505.31253	1.0
506.25903	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	505.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20596	0.5
56.20864	0.4
59.01267	1.6
65.91389	0.4
69.95657	2.8
74.45883	0.5
77.65335	0.4
78.95779	26.2
96.96833	3.4
108.74115	0.5
111.96055	0.4
129.47920	0.4
150.97949	0.8
152.99496	40.0
153.99866	0.8
171.00563	1.7
190.97235	0.5
194.50330	0.5
224.06946	1.1
227.03244	6.6
243.33673	0.5
245.04324	1.7
275.20050	0.5
277.21729	100.0
278.22067	9.9
279.23279	4.8
280.23663	7.6
413.20987	1.9
469.30566	0.5
505.25671	50.8
506.26038	7.6
509.36862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80883	0.9
53.35931	0.8
53.98316	0.8
55.01756	1.2
56.94995	0.8
57.03313	3.8
59.01253	16.5
67.44252	0.7
69.03304	1.2
69.64221	6.7
71.01257	22.9
72.99186	6.2
73.02803	1.1
75.00746	18.2
83.01258	2.1
84.02065	1.1
85.02345	1.7
85.02830	25.4
87.00756	8.5
87.35743	0.8
89.02323	4.6
91.03879	1.0
95.01270	6.1
99.00755	12.8
103.00257	3.3
111.00745	1.6
112.01546	1.0
113.02335	33.5
114.02575	0.9
115.00291	2.3
117.01841	3.2
129.01819	2.0
131.03384	1.6
153.56181	0.9
157.01358	1.9
175.02385	4.0
177.78348	0.9
205.07137	3.1
211.74783	0.9
223.08162	1.4
249.06126	11.9
255.23280	100.0
256.23654	8.8
267.07233	7.6
389.31253	0.9
487.29166	1.7
505.30203	94.5
506.30591	14.3
514.88434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08287	0.7
57.03326	2.6
59.01253	12.9
67.01753	1.1
68.99709	1.5
70.33218	2.9
71.01259	15.5
72.99184	5.1
73.02832	1.2
73.28901	0.7
75.00754	18.9
83.01260	1.4
83.17541	0.7
85.02821	20.6
87.00758	7.9
89.02316	3.7
93.38280	0.7
95.01279	4.6
99.00772	9.8
103.00260	1.5
111.74952	0.8
113.02338	26.0
114.02692	1.1
115.00260	2.2
117.01842	2.8
129.01866	1.1
157.01355	1.5
175.02394	4.6
205.07120	1.4
231.05052	2.5
249.06142	21.4
255.23285	100.0
256.23618	8.6
267.07245	4.2
366.45056	0.8
419.51785	0.8
472.37808	0.7
487.28967	3.6
505.30203	93.5
506.30499	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	505.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81128	0.6
55.01733	0.8
57.03322	1.5
59.01251	10.7
61.66105	0.6
67.05415	3.7
69.03326	2.2
70.54351	2.0
71.00890	1.2
71.01258	14.8
72.01589	0.6
72.99190	1.8
73.02807	1.6
74.02351	0.7
75.00745	2.0
78.95781	1.8
83.01263	3.5
84.86356	0.6
85.02831	4.8
87.00758	15.7
89.02321	7.2
93.03329	1.2
95.01293	0.6
96.96845	1.4
97.02837	0.8
97.06458	1.4
98.19846	0.7
99.00728	1.4
101.02328	7.2
107.04911	1.5
109.06445	3.7
111.00760	1.1
111.04404	11.0
111.83138	0.6
113.02326	8.8
115.00249	1.0
119.03390	1.4
119.08572	1.1
123.00739	0.8
125.02335	1.2
125.05975	6.4
129.01819	1.4
137.09612	0.7
141.01859	1.1
142.08632	1.1
143.03407	2.2
151.00313	0.9
159.02887	0.6
161.04460	3.5
163.03897	0.8
163.07610	1.4
168.85374	0.6
173.04474	1.9
175.02463	0.8
177.38019	0.7
179.05527	1.9
179.10754	1.1
181.08627	100.0
182.08969	6.1
186.07674	0.7
193.03490	0.9
195.10184	2.9
223.09776	4.6
243.03070	0.9
244.24037	0.6
249.06276	1.1
255.02997	1.5
255.62836	0.6
271.02496	5.5
272.02881	0.6
300.02808	5.6
301.03445	3.0
323.09891	6.4
324.09949	0.7
505.09964	3.4
505.19208	3.0
506.10733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1355
Annotation	Junipegenin B 7-O-glucoside
Peak:m/z	Relative Intensity
50.21842	0.2
57.03312	0.4
59.01255	5.9
61.77305	0.2
64.63366	0.2
65.00198	1.1
69.03342	0.3
71.01259	2.3
72.99200	0.3
73.02805	0.7
75.00757	0.5
77.84643	0.2
80.04852	0.2
83.01244	0.5
85.02827	1.1
87.00755	0.6
89.02319	0.8
91.01772	0.5
93.03333	0.6
95.01266	0.5
96.95895	0.8
98.19825	0.5
99.00753	0.5
101.02322	1.0
107.01287	0.5
107.04922	0.6
109.02844	0.6
113.02318	0.9
115.00262	0.3
121.02843	3.4
123.00769	0.9
124.01556	0.4
125.02295	0.3
134.03656	3.6
135.04417	100.0
136.04767	3.7
137.02327	0.5
149.02353	0.4
149.99500	12.0
151.00240	1.2
152.01021	0.4
161.02348	0.6
165.01860	5.7
168.00517	0.9
169.01326	0.9
171.10129	0.3
175.02341	0.3
183.02917	20.3
184.03256	0.6
193.01247	0.3
209.11713	0.4
211.04074	0.4
223.47673	0.3
240.04262	0.3
255.02980	0.8
268.03714	1.2
271.02435	1.6
272.02631	0.3
283.06226	1.5
285.04251	0.4
286.04797	2.9
287.05307	0.4
300.02829	2.2
300.06238	0.4
301.07169	57.7
302.07516	4.8
315.05023	1.4
325.20206	0.7
339.10889	1.1
343.04605	0.9
358.03241	0.4
445.11618	0.5
463.25323	0.4
487.26709	0.3
505.13766	17.2
505.26355	6.0
505.33737	0.5
506.14090	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	505.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05712	0.4
59.01250	0.9
69.90612	1.7
78.95785	0.8
97.66730	0.3
104.23566	0.4
121.02847	100.0
122.00071	0.4
122.03181	4.1
145.02885	0.9
152.99536	0.4
157.82619	0.4
180.05667	0.7
181.06517	3.1
197.06047	2.8
207.04404	1.0
207.08041	0.5
222.60878	0.3
223.03995	0.6
225.05510	2.6
245.04396	0.5
251.07063	0.5
255.02983	0.4
257.09741	1.0
271.02438	0.6
300.02701	0.5
301.08728	0.5
313.07169	5.3
314.07861	0.5
347.40198	0.4
357.06094	1.0
373.10568	0.4
383.07877	0.8
417.09775	9.7
418.10229	1.5
433.09317	0.5
445.29395	0.5
461.12561	0.7
505.11398	6.2
505.31439	1.1
506.11490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98781	1.3
53.55717	1.8
55.01743	1.6
57.03313	2.8
59.01247	10.3
68.99722	1.8
69.03326	13.4
69.34448	15.2
71.01262	27.1
72.99173	7.8
73.02793	2.1
75.00750	30.7
78.68753	1.7
83.01268	2.3
85.02833	23.8
87.00743	7.5
89.02319	4.2
91.01774	13.1
95.01259	5.2
97.02831	8.9
98.19741	3.2
99.00754	19.3
101.02313	6.2
103.00233	1.9
106.17231	1.6
107.01262	5.1
108.02048	18.0
109.02841	4.0
112.11121	1.6
113.02332	27.1
115.00253	4.9
117.01804	2.6
121.02846	2.1
123.00764	2.5
125.02333	26.1
129.01842	2.5
135.00783	61.2
139.00266	2.5
145.94664	1.7
147.36456	1.6
149.02242	1.7
151.00243	2.8
152.01067	35.5
153.01765	6.1
157.01328	4.8
161.04407	2.8
162.43459	1.9
163.03903	4.5
166.02620	8.2
167.03416	100.0
167.79942	1.6
168.03767	3.9
173.04465	2.6
175.02402	5.7
217.03517	2.5
277.05585	4.6
315.07275	8.5
337.07797	5.4
429.10263	9.7
430.10892	2.1
473.09549	8.7
503.34012	1.7
505.11981	73.0
506.12317	8.1
508.01218	1.9
518.12891	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.099
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
59.01243	0.3
61.28251	0.1
63.02262	0.7
65.00190	1.2
69.32515	1.0
71.01266	0.1
80.02555	0.1
81.05988	0.1
83.01245	0.6
91.01774	0.3
93.03329	0.3
102.15067	0.1
103.00231	0.2
107.01269	2.6
108.02056	1.7
109.02843	1.5
119.01288	0.4
121.02069	0.2
121.02863	1.8
124.01560	0.3
125.02297	0.4
135.00789	0.9
137.02287	0.2
139.03940	0.1
141.05803	0.1
147.00755	0.2
148.01555	1.9
149.02348	0.4
151.00276	10.3
152.00705	0.4
152.56017	0.1
153.01820	0.2
159.04436	0.3
161.02289	0.2
163.00287	2.8
163.03986	0.2
164.01088	0.8
165.01865	0.2
169.01367	0.7
169.02597	0.1
171.04382	0.2
175.03914	0.3
178.99786	5.4
180.00194	0.2
183.04463	0.6
185.02431	0.1
187.03935	0.6
189.05502	0.1
190.02448	0.2
190.99728	0.4
192.00571	0.4
193.01427	0.2
195.04416	0.1
198.03238	0.3
199.03899	1.4
200.04599	0.2
201.01839	0.3
201.05441	0.4
202.02536	0.1
203.03386	0.5
210.03027	0.1
211.03929	1.4
213.01880	0.3
214.02666	0.1
215.03452	0.9
216.04196	0.5
217.01262	0.2
226.02705	1.9
227.03471	3.5
228.04018	0.4
229.01244	0.2
229.04858	0.6
232.84193	0.1
239.03307	0.4
242.02417	0.2
243.02969	11.2
244.03412	1.0
245.04468	1.2
253.01561	0.2
254.02209	2.6
255.02966	28.4
256.03336	2.1
257.04642	0.2
266.02026	0.2
271.02475	60.9
272.02933	6.2
273.04022	1.3
282.01407	0.2
283.02426	1.4
284.02948	0.1
299.02014	1.7
300.02737	100.0
301.03452	41.4
302.03882	3.1
313.03528	0.2
343.04636	0.6
445.07364	0.1
460.16837	0.1
463.08795	2.5
464.09027	0.3
505.09882	42.5
506.10196	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	505.0989
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
51.43618	0.6
59.01256	8.1
62.25921	0.7
65.00195	3.6
68.99678	1.1
69.03329	1.5
71.01254	6.2
71.58076	1.0
72.99179	1.3
73.02819	5.9
73.14160	0.6
83.01254	2.1
85.02836	3.9
87.00758	1.6
89.02303	1.3
93.03332	11.5
95.01260	3.1
99.00767	2.1
101.02324	1.7
107.01279	3.1
108.02062	13.1
109.02251	0.6
109.02868	5.1
109.99993	13.7
111.00806	5.3
113.02339	3.0
117.03333	0.9
119.01295	1.5
121.02856	2.7
123.00774	3.0
123.04426	1.4
124.01579	0.9
125.02313	1.7
132.02087	1.4
133.02882	0.8
134.03662	0.7
135.00792	1.2
135.04413	1.0
136.01561	1.0
136.98738	3.6
137.02344	8.7
137.99532	5.3
139.00288	11.9
145.02815	0.9
147.00806	2.5
148.01534	2.7
149.02327	2.2
151.00262	8.7
151.03949	0.9
152.01059	16.8
153.01823	4.1
153.05479	1.1
159.04399	1.8
160.01588	1.8
161.02338	1.0
163.00279	2.2
163.03856	1.4
164.01102	0.8
164.98195	1.1
165.01855	1.9
165.99001	15.0
166.99779	7.6
167.03421	6.4
167.04776	1.3
169.01332	1.0
175.00296	3.4
175.03957	3.0
176.01117	0.9
177.01857	3.9
178.99800	6.8
180.00267	0.8
181.01349	1.2
183.04436	2.1
187.03877	1.7
189.01903	0.9
190.02666	3.0
191.03476	0.8
193.01328	0.9
193.77222	0.7
193.98468	1.5
198.03192	0.8
199.03914	2.3
200.04602	1.0
201.05495	2.5
205.04976	3.3
206.99313	1.7
207.02972	0.9
209.00890	1.4
209.11650	0.8
211.03973	4.9
215.03479	1.5
216.04256	1.0
217.05089	1.0
226.02621	1.9
227.03468	7.4
228.04224	1.7
229.05020	2.5
239.03490	2.9
243.02968	16.2
244.03635	1.6
245.04605	2.3
249.06139	2.3
254.02235	2.5
255.02982	29.0
255.16052	2.1
256.03537	3.9
257.04504	2.3
271.02481	55.0
272.03052	9.6
273.03958	1.2
274.24451	0.7
283.02493	5.9
284.02954	1.6
285.03961	0.8
299.02072	1.7
300.02744	100.0
301.03494	90.4
302.03836	6.7
329.13992	1.8
337.09293	3.3
339.07263	2.9
353.08820	1.8
367.10443	4.0
445.24368	1.0
463.08911	1.3
505.09888	84.1
505.22873	12.8
506.10089	11.6
506.16672	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66949	0.1
59.01249	0.5
65.36977	0.1
69.32442	0.6
69.32850	0.2
71.01289	0.1
78.95779	7.2
80.02537	0.1
83.04889	0.1
93.96273	0.1
96.96844	0.2
152.99492	2.3
159.39342	0.1
164.69264	0.1
168.04234	1.6
171.00574	0.2
187.61314	0.1
219.72266	0.1
224.06906	1.1
227.03322	0.2
237.87825	0.1
242.07942	2.9
242.10408	0.2
243.08095	0.1
245.04367	0.1
261.22171	0.4
266.22955	0.1
277.21735	5.5
279.23288	100.0
280.23624	9.9
504.30966	5.1
505.25400	2.6
505.31595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97218	2.0
58.00465	3.2
59.01255	17.0
61.70724	2.4
63.02247	2.2
65.00194	5.1
65.99708	5.2
69.39428	19.2
71.01259	7.6
72.99151	3.2
81.58070	2.2
83.01259	4.9
85.02834	4.4
89.02298	2.6
93.03337	5.5
95.01273	5.1
95.81176	2.2
99.00782	2.5
101.02312	2.8
101.79287	2.4
105.03394	2.0
107.01279	7.9
108.02073	5.0
109.02847	40.7
111.00818	3.7
112.50497	2.2
119.01233	4.0
119.52927	2.1
121.02863	11.3
123.00774	10.2
123.04372	5.6
124.01597	2.4
125.02310	10.8
127.37306	2.5
133.02841	8.6
134.02359	15.3
135.00757	7.2
135.04477	2.5
136.01544	2.9
137.02357	35.2
139.00272	3.9
139.03902	4.0
146.02350	5.9
147.00764	7.7
148.01576	88.3
148.02773	4.7
149.02357	46.1
149.99411	2.6
150.03105	7.0
151.00259	28.0
151.03867	2.6
152.01054	6.1
153.01842	7.4
158.02403	7.3
159.04417	3.1
160.03928	2.7
161.02348	5.9
162.01869	37.0
163.00304	23.0
163.02591	5.7
163.03934	6.6
164.01105	5.4
164.03448	28.8
165.01828	4.5
166.99841	3.2
167.03432	5.6
169.01292	2.6
171.04427	3.3
175.00227	11.6
175.03888	3.2
176.01024	8.3
176.03429	5.5
177.01854	100.0
178.02295	4.5
178.99791	22.0
179.03429	3.1
181.01358	6.0
186.01900	27.3
187.03983	3.4
189.01892	4.5
190.01329	14.8
190.99785	3.4
191.00543	2.4
191.02106	19.9
191.03557	2.6
192.00586	6.6
193.01360	7.7
197.02412	3.5
198.03078	2.2
199.04054	6.4
201.05516	2.9
202.01329	10.8
202.99811	31.6
203.02075	10.9
203.03720	2.8
204.02956	72.8
205.01364	5.9
205.03284	3.9
208.00226	2.3
208.02444	4.0
212.03535	3.0
214.01358	4.8
215.03462	7.9
217.04973	3.4
221.00923	4.9
222.04044	6.5
227.03429	9.3
229.04948	3.0
230.00897	54.1
231.01253	4.4
231.03152	3.1
241.04987	3.1
242.02194	2.8
243.02957	14.0
245.04530	9.8
247.01225	4.3
249.04208	2.5
255.02968	8.4
257.04382	4.1
266.04642	3.0
268.03021	2.5
269.04538	5.2
271.02487	41.8
271.05139	4.0
272.03174	11.2
272.05826	3.5
273.03955	9.6
282.04083	2.6
283.02435	3.4
285.04089	6.3
286.03662	3.6
287.02036	6.2
288.02783	4.7
293.03229	3.3
294.04153	10.1
295.08255	9.1
296.05704	3.9
298.03592	2.5
299.01880	25.9
299.29138	2.4
300.02527	22.1
301.03433	7.5
310.03503	6.2
312.02383	4.3
312.05658	3.1
313.03552	16.4
313.09384	4.0
314.04141	4.1
316.02121	21.1
317.02957	39.1
318.03516	2.9
322.03564	19.3
323.04224	4.3
327.07217	14.8
339.03711	21.7
339.07224	18.7
340.01093	4.5
340.04590	60.7
341.05161	5.6
341.08798	7.4
350.08740	4.3
357.04907	17.0
358.05682	28.2
367.06689	2.7
368.09857	61.9
369.10172	5.1
394.07809	75.7
395.08221	8.8
419.10022	6.2
420.04410	2.8
446.08655	8.6
447.08862	2.9
463.08820	21.5
486.10352	24.8
504.11511	99.1
505.11743	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	503.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.7
59.01252	17.5
68.99667	1.2
70.81242	1.1
71.01254	27.2
71.16096	2.4
72.99174	7.4
73.02811	2.0
75.00755	20.4
78.95768	4.8
85.02343	2.7
85.02822	29.7
87.00757	9.1
89.02327	6.8
95.01269	8.1
99.00749	14.4
103.00230	2.5
106.95865	1.2
109.29052	1.4
111.00745	1.8
113.02335	44.5
114.02673	1.3
115.00256	2.1
117.01805	4.6
119.55419	1.2
123.29247	1.3
129.01833	2.2
131.03409	2.8
157.01270	1.7
175.02406	6.0
189.25948	1.2
205.07132	4.2
209.11748	1.6
212.42683	1.2
231.05034	2.2
249.06190	8.3
253.21713	100.0
254.22046	7.3
267.07227	10.3
277.21655	1.8
279.23355	13.1
485.27341	4.4
503.28607	98.1
504.29004	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	503.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	1.4
69.91733	3.9
69.92145	1.7
78.95781	49.4
82.88152	0.9
96.96849	5.1
98.20437	1.5
113.32091	0.8
116.65968	0.9
123.19691	0.9
150.98009	1.1
152.99504	59.7
153.99947	0.9
171.00572	16.7
227.03227	1.6
231.21156	36.9
231.23497	1.9
232.21489	3.8
245.04306	100.0
245.19212	1.4
246.04729	4.2
248.45038	0.9
275.20175	41.8
276.20508	5.2
416.76257	0.8
464.75815	0.8
503.24063	16.8
503.32492	1.2
503.33807	1.7
504.24615	3.4
504.32831	0.8
521.63013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.0
57.03329	3.5
59.01256	100.0
69.35738	23.5
69.36165	8.6
71.01260	36.1
71.57452	2.8
72.99190	7.2
73.02816	12.4
75.00748	9.9
78.95776	7.4
79.43805	3.2
82.74950	2.8
83.01263	5.6
85.02824	21.3
87.00763	8.5
89.02328	15.1
91.71490	3.7
93.03362	4.4
98.20504	5.6
99.00756	6.1
101.02333	19.7
105.34327	3.1
106.33716	2.9
109.01585	4.6
111.77518	3.0
113.02332	19.6
113.03419	4.2
117.03380	5.3
119.03416	3.3
119.04935	27.4
120.14796	2.8
121.02839	4.8
123.04429	6.9
125.02323	7.5
131.03430	2.9
132.02953	6.9
133.02846	5.3
134.03638	5.7
135.04414	7.2
135.84431	2.9
137.02390	4.4
137.35365	2.9
143.04539	4.1
145.02882	26.0
146.03209	3.3
149.02271	4.6
150.03180	3.5
151.00356	3.3
151.03963	19.9
161.04462	5.8
163.03920	18.9
175.00313	3.6
175.03922	5.0
177.01868	23.8
178.99706	4.3
179.03210	3.6
190.02719	4.0
193.05090	3.7
195.06616	5.8
205.05046	5.3
223.13361	8.2
249.06287	3.8
291.50967	3.3
299.01865	3.6
307.08203	9.8
367.10098	3.3
459.22211	3.6
503.21509	18.9
503.26752	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	503.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.7
57.03082	0.7
57.03328	8.1
58.00452	1.6
59.01253	20.2
65.96107	0.5
67.01750	0.7
68.99660	1.3
69.03323	2.0
71.01256	37.5
72.01602	0.6
72.99181	5.3
73.02821	5.2
75.00748	34.4
78.95761	0.6
81.03314	0.8
83.01258	6.2
85.02826	39.2
86.03168	0.9
87.00748	10.2
89.02330	6.8
95.01267	5.6
97.02829	2.1
98.19768	1.3
99.00759	11.8
101.02327	10.8
103.00230	0.8
109.02821	0.7
111.00753	1.8
112.01524	2.1
113.02332	38.0
114.02628	0.7
115.00273	2.9
117.01820	1.9
118.55173	0.5
119.03378	2.3
125.02357	1.7
127.11115	1.6
129.01805	1.1
131.03365	1.1
133.02808	0.6
134.03606	4.1
135.04436	1.7
137.09616	1.1
143.03416	1.1
149.05925	0.8
153.12720	1.0
155.10643	2.3
155.40071	0.6
157.01314	1.2
157.12285	1.2
159.02901	1.0
160.01547	2.1
161.04517	1.3
164.82130	0.6
173.04492	2.2
175.02361	5.0
175.03908	2.2
183.13849	0.7
191.05478	0.6
193.04988	3.0
201.14894	2.1
230.15128	1.3
268.01224	0.6
309.09772	2.1
327.18073	0.8
359.27936	4.8
443.19092	0.7
485.20737	0.9
485.30515	0.6
503.21344	100.0
503.32123	15.6
504.21719	14.7
504.32867	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1775
Annotation	Isoconiferinoside
Peak:m/z	Relative Intensity
56.50174	0.9
57.03321	3.5
58.00474	1.6
59.01253	29.2
68.99689	9.9
71.01257	25.9
71.57304	1.1
72.99183	4.8
73.02823	4.0
75.00754	5.9
81.03331	1.1
83.01256	2.8
83.04923	0.9
85.02831	14.0
87.00751	12.6
88.32943	1.0
89.02309	4.9
95.01273	2.2
96.95869	3.2
96.99181	6.2
99.00759	5.3
101.02327	7.4
103.00229	1.1
103.03890	2.3
109.02795	1.2
113.02349	7.4
115.00264	38.6
115.01071	2.1
116.00584	1.0
119.03381	2.3
119.04972	1.2
119.08547	8.9
123.00782	0.8
123.04404	0.9
125.09631	1.7
134.03629	1.5
135.04396	1.6
135.72372	0.9
136.01631	1.0
139.00299	1.7
149.02333	1.0
150.03091	1.1
151.03900	1.4
157.01338	1.3
161.02333	2.4
163.03984	1.2
163.06113	1.2
163.07529	2.2
164.04622	1.4
165.09109	6.5
167.10580	1.2
173.04588	1.0
174.01669	1.1
175.02411	39.3
175.03929	2.3
176.02750	1.0
177.09177	1.3
179.03403	3.7
183.10225	8.1
187.09633	1.7
189.09106	1.5
191.10741	2.0
193.05054	2.4
194.05772	1.1
204.26624	0.9
208.38612	0.9
209.08156	3.3
217.08615	2.7
219.10207	1.7
233.06689	0.9
233.12074	1.0
239.09248	1.2
256.66177	0.9
282.25070	0.9
305.10254	1.3
327.14511	3.6
341.12405	3.7
345.15515	4.0
367.13892	2.1
397.72235	0.9
425.14572	3.1
443.15488	1.5
467.15546	3.7
485.16785	2.7
503.17752	100.0
504.18124	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	503.1773
Annotation	Tinosinen
Peak:m/z	Relative Intensity
54.41061	0.6
59.01252	7.2
71.01263	8.8
71.37075	0.9
71.37430	1.2
72.36666	0.6
72.99174	1.0
73.02817	4.6
75.00749	1.2
83.01277	2.0
85.02814	1.9
87.00759	1.3
89.02325	3.8
93.03346	0.7
95.01250	1.0
96.95915	3.0
99.00759	17.5
101.02323	14.9
105.03343	2.0
113.02344	4.4
115.00267	0.6
123.04405	0.7
125.02341	0.8
131.03447	1.3
133.02832	1.9
134.03648	1.4
135.02959	1.6
135.04431	1.4
143.03427	1.7
151.03935	7.3
161.02361	33.1
161.04494	1.9
162.02759	1.5
163.03853	0.7
165.05489	0.7
175.02492	0.7
175.03877	0.9
176.03294	1.5
176.04724	22.6
177.05157	1.5
179.03433	57.4
180.03854	3.3
191.03972	0.7
191.05505	4.4
191.07103	8.7
193.05034	1.7
194.05788	63.0
195.06328	5.1
209.08148	100.0
210.08476	5.1
293.08798	2.7
355.46115	0.7
503.17688	12.8
504.17911	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	503.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
57.03325	3.6
59.01255	5.0
68.47695	0.4
68.99693	3.1
69.03336	9.0
69.43583	2.8
69.44004	1.3
70.49472	0.4
71.01257	4.2
71.04896	1.7
72.99187	1.0
73.02826	1.3
73.97900	0.5
75.00771	0.7
75.03528	0.5
77.41261	0.5
83.01263	1.7
85.02829	6.8
87.00759	2.1
87.30137	0.4
87.47443	0.5
89.02333	2.2
93.82465	0.4
95.01247	2.6
97.02821	0.7
99.00763	5.2
101.02312	1.3
107.01328	0.5
108.02054	0.9
109.02863	1.1
111.00784	2.7
111.04421	1.1
111.08060	1.4
112.01075	0.6
112.07687	0.6
113.02347	5.0
113.05986	0.8
113.99480	7.6
115.00293	3.4
123.08060	0.7
127.00278	1.5
129.01814	1.9
130.08641	0.7
137.02362	1.8
139.00270	4.2
139.11197	9.2
141.01848	0.9
149.04459	1.2
151.00270	1.6
152.01060	1.3
153.01848	0.6
156.00606	1.0
157.01344	6.5
161.04451	0.6
162.01906	1.0
164.03458	0.8
169.01344	1.0
169.92789	0.5
175.02396	1.0
175.32240	0.5
177.01898	0.7
178.99829	0.7
183.10210	27.7
184.10565	0.9
191.05540	1.0
204.02977	1.1
227.03308	0.6
243.02847	0.6
255.02806	0.7
259.04556	1.3
269.06726	0.6
271.02576	1.4
277.05640	9.8
278.06033	0.7
283.02350	1.0
299.01898	1.0
300.02594	1.0
301.05664	1.7
306.04169	0.7
319.06653	4.6
323.04309	0.8
324.05191	1.9
340.11557	0.9
341.05396	0.8
486.10580	1.2
503.17737	100.0
504.11322	2.6
504.18188	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	503.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.1
59.01254	12.9
67.01766	1.5
69.03324	2.0
71.01256	6.6
71.04894	1.6
72.99167	0.6
73.02821	1.5
73.92145	0.6
74.02354	2.1
75.00752	1.7
79.19252	0.6
81.03392	0.7
85.02816	5.0
87.00754	2.0
89.02326	3.0
93.03335	8.4
95.01299	1.4
98.20668	1.5
99.00774	2.7
101.02328	2.2
111.04408	2.0
113.02330	2.9
117.03294	0.8
119.03435	0.9
119.04936	1.8
121.06493	24.2
134.03598	1.2
137.02368	2.0
139.07559	66.8
140.07898	2.3
145.02844	2.6
155.03435	2.3
160.01585	2.5
161.04495	1.0
163.03915	1.9
173.04488	20.9
175.03952	2.2
176.04184	1.5
183.06563	100.0
184.06908	4.1
191.05554	28.0
192.05904	1.1
193.05086	1.0
223.13472	0.8
229.65230	0.7
266.59598	0.6
271.94238	0.7
284.03149	1.1
289.18176	0.7
299.02567	0.6
299.05658	2.2
313.12900	10.3
314.13309	0.7
319.08307	2.6
337.09201	5.8
338.09689	1.4
357.12018	1.4
434.97406	0.7
463.65350	0.8
503.12427	0.9
503.23917	1.2
503.31897	2.3
504.28320	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	503.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86913	0.5
54.36003	0.5
57.03309	1.1
59.01252	14.8
60.01581	1.0
61.01696	0.6
63.90956	0.6
67.01749	1.1
69.03310	1.6
71.01263	5.6
71.04896	1.5
72.74236	0.5
73.02829	1.9
81.03350	0.8
83.01233	0.8
85.02831	3.1
87.00739	1.8
93.03344	9.4
99.00748	1.0
101.02335	3.7
109.02880	0.6
111.00778	2.4
111.04376	2.9
113.02348	2.4
113.73259	0.6
117.03377	1.1
117.04236	0.6
119.04932	2.8
121.06490	23.8
122.06828	1.0
137.02371	1.8
139.07555	69.1
140.07884	2.0
144.23550	0.7
145.02866	1.8
155.03400	2.9
161.04538	0.7
163.03903	1.9
165.29247	0.5
173.04477	20.8
174.04762	0.9
183.06560	100.0
184.06905	3.8
191.05551	14.5
259.28720	0.6
261.55576	0.6
313.12976	8.7
314.13449	0.6
319.08246	2.2
337.09387	2.7
357.11768	0.7
374.04471	0.6
461.23932	1.1
503.25455	0.9
503.32495	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	502.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22306	0.0
59.01251	1.0
71.01255	0.3
71.57935	0.1
78.95776	7.4
80.24452	0.0
83.04892	0.2
96.96846	0.1
97.06441	0.1
99.04430	0.1
113.02412	0.0
113.05986	0.1
122.98436	0.1
127.07533	0.2
141.09091	0.0
152.99503	0.8
168.04225	1.9
169.04572	0.1
171.00523	0.1
182.13087	0.0
205.19600	0.1
224.06876	1.4
225.07199	0.1
233.22800	0.3
242.07953	3.4
243.08304	0.1
259.20670	0.5
275.20245	0.3
277.21713	100.0
278.22049	9.9
502.29410	5.3
503.19589	0.1
503.21942	0.1
503.29727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	8.2
63.85770	2.0
65.00202	4.9
69.80332	2.0
71.01257	4.1
71.71296	2.5
72.50230	2.0
81.34765	2.3
89.02320	2.3
95.01289	4.3
98.19742	4.0
99.00750	7.2
107.01289	4.7
109.02854	6.3
109.63010	2.3
109.99976	3.7
111.00801	4.6
118.02876	3.9
121.02873	4.7
123.00809	16.7
125.02358	3.5
130.08665	3.8
134.02414	4.0
134.03653	2.8
137.02344	2.7
139.00250	8.9
139.03894	2.6
145.02762	3.6
147.00873	3.0
147.04497	2.8
148.01515	3.7
149.02388	6.4
150.01961	3.5
151.00322	17.8
152.01086	3.1
153.01720	2.5
154.71953	2.2
159.04482	3.5
161.02338	5.1
162.01862	5.6
163.00238	5.5
164.01152	11.0
164.98160	6.6
165.98990	5.8
166.99780	21.2
171.04442	4.0
172.03978	6.2
173.01086	2.9
173.02426	2.5
174.01912	3.7
175.00281	9.8
175.02606	3.5
175.03949	4.6
176.00955	4.6
177.01904	5.4
178.99818	12.9
186.01761	4.3
187.03900	7.0
189.01912	4.3
190.05029	5.9
191.02112	3.2
192.00609	34.4
193.01274	6.9
194.99202	2.8
199.03983	3.5
201.00471	3.5
202.01405	100.0
203.00050	3.0
203.02023	7.7
205.01361	2.8
213.01747	2.5
215.03453	7.9
217.01469	2.1
218.00931	2.5
227.03474	7.5
227.99272	3.8
231.02950	4.1
239.03427	2.9
241.01515	2.6
242.02339	3.2
243.03012	8.0
255.02934	7.3
258.01587	3.5
259.02496	7.4
264.35651	2.1
266.04654	4.0
270.01614	5.3
271.02490	15.9
272.03238	3.2
281.10757	3.1
282.04340	2.6
283.02448	11.6
285.04041	2.6
287.01984	30.8
288.02518	4.3
289.03510	2.7
294.04202	4.4
299.02011	10.9
300.02710	9.3
301.03580	3.8
310.03668	12.7
311.01611	10.9
312.05261	4.5
315.01471	71.4
316.02075	13.1
317.03040	2.3
317.43698	2.4
320.01865	3.8
328.02029	2.4
329.02957	7.4
337.02271	3.4
338.03085	53.3
339.03506	8.4
339.07413	7.4
340.04718	2.7
340.11880	9.0
355.03247	33.9
355.07123	4.0
356.04150	41.4
356.08249	4.1
357.04575	3.9
366.08154	14.1
447.09097	4.1
462.08145	21.4
502.09888	64.3
502.17142	5.6
503.10263	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	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00842	0.9
55.19500	0.8
56.63586	0.8
59.01259	9.0
61.98703	1.3
69.86008	3.9
69.86428	1.5
71.01257	100.0
72.01598	2.2
72.99183	17.2
78.95771	1.1
81.95728	0.9
87.00765	2.1
91.03869	1.9
101.02359	0.8
115.00264	26.9
115.01074	1.8
133.01311	11.0
195.13890	4.0
209.26132	0.9
224.66290	0.9
293.21213	11.9
294.21701	1.5
311.22263	75.9
312.22559	5.5
365.23651	1.7
385.25891	11.9
449.76801	1.0
483.26086	9.1
484.26334	1.0
501.27701	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	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31732	0.4
59.01255	100.0
60.01600	0.8
65.31853	0.3
69.50055	3.4
71.01263	5.1
73.02828	5.0
74.13332	0.4
78.95787	0.8
80.11427	0.4
83.01260	1.3
85.02831	1.2
87.00756	0.5
87.51713	0.4
89.02334	1.2
101.02327	6.3
113.02342	2.5
119.03384	0.5
131.03416	0.5
143.03410	0.5
149.04497	1.1
161.04503	1.7
314.66214	0.4
501.30655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52594	1.3
57.03316	1.4
58.79553	1.4
59.01248	11.7
59.60890	1.3
63.02270	2.0
65.00200	3.2
68.33422	1.2
69.03326	32.8
69.33237	13.8
70.03666	5.0
71.01261	11.6
72.99175	3.5
73.60514	1.4
75.00746	9.3
83.01291	2.4
83.63197	1.3
85.02831	5.2
87.00770	4.0
89.02319	4.4
90.06931	1.4
95.01270	2.7
97.02821	7.5
99.00755	14.6
101.02332	2.8
107.01298	3.6
113.02351	8.1
115.00241	1.8
121.02770	1.6
121.04086	1.4
125.02322	2.9
134.51166	1.5
135.00764	1.9
141.01813	1.7
145.02844	1.7
146.54677	1.5
148.05205	23.0
149.05556	8.5
151.00278	16.2
157.01352	2.1
160.03989	1.9
161.02419	2.1
163.07550	6.6
164.07870	3.0
168.87646	1.7
169.01329	2.3
170.02274	2.2
171.04506	1.7
172.03995	1.4
173.04573	2.5
175.02504	1.3
175.04062	2.2
178.99808	8.5
185.00871	19.0
186.01225	5.2
187.02663	1.9
196.80058	1.3
199.03894	4.0
211.03908	2.8
213.05595	1.7
214.01268	2.0
215.03435	2.5
226.02617	1.6
227.03448	3.3
228.04214	1.6
240.04210	1.7
243.02979	5.6
255.02951	8.5
256.03418	2.1
267.02936	3.7
271.02472	44.3
272.03012	5.1
277.05673	1.7
282.04160	3.1
283.02496	2.5
284.03088	1.7
285.04163	2.0
294.04111	8.6
295.02475	5.5
297.04056	2.8
299.01981	100.0
300.02576	19.8
301.03510	11.8
302.03864	1.4
310.03564	6.2
313.03476	3.5
316.14868	1.7
319.06863	1.8
322.03610	10.7
323.04221	5.6
324.05106	8.7
337.07562	1.4
339.03815	40.3
340.04623	14.3
462.08087	17.1
463.08847	2.0
501.16223	5.3
502.09875	45.3
502.16666	13.5
503.10242	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	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01590	1.0
61.79222	0.3
63.10220	0.3
71.01258	2.5
71.31670	0.3
71.44836	0.8
73.02831	0.9
75.00759	0.4
81.03338	0.4
83.01290	0.5
83.56021	0.3
85.02846	1.0
89.02328	0.7
99.00739	0.6
99.04451	0.4
101.02341	1.8
113.02337	0.8
115.49133	0.4
125.02325	0.4
137.02431	0.6
139.73000	0.4
161.04459	0.4
163.04018	0.3
164.84024	0.4
179.48842	0.4
203.14322	0.4
221.15500	1.4
247.13445	1.3
253.09343	0.4
265.14572	1.0
289.07294	1.7
321.67368	0.3
332.94296	0.3
399.23999	0.7
501.14648	0.4
501.21933	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	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00076	0.8
55.01778	1.7
57.03328	2.4
58.00471	2.8
59.01253	100.0
60.01576	1.3
62.13981	0.9
69.03315	0.9
71.01254	65.1
71.57304	1.3
72.99184	6.8
73.02818	3.2
75.00723	1.6
83.01244	3.3
85.02823	14.3
87.00764	5.4
89.02320	74.3
90.02668	1.6
93.03358	2.5
95.01283	4.5
99.00765	1.8
99.04434	0.8
101.02332	42.8
105.28781	0.9
107.01222	0.9
111.04405	1.1
113.02332	28.7
117.03343	1.2
119.03399	39.0
119.04896	25.2
120.05285	0.9
121.02859	2.6
123.00755	1.0
123.04421	1.0
125.02338	0.9
130.08636	6.2
131.03398	4.2
132.02045	1.1
133.02855	2.9
134.03622	3.2
135.04413	2.3
137.02336	1.0
143.03389	6.3
145.02812	2.2
146.04463	1.5
147.00703	1.7
149.02354	1.1
149.04448	4.6
151.00237	2.0
152.01024	1.3
153.01808	1.2
160.01503	4.7
161.02348	7.4
161.04422	4.5
163.03922	13.3
166.02675	1.7
169.08604	1.6
173.04527	1.3
175.00305	2.5
175.03954	7.4
177.01837	1.0
177.05479	1.8
178.99773	1.1
179.05560	9.7
180.05862	1.1
183.04475	1.9
190.02670	4.0
191.05589	1.4
193.05038	3.4
205.05003	5.1
227.03442	1.7
255.02980	13.2
256.03305	2.3
267.07220	1.1
271.02518	2.5
283.02463	22.4
283.05594	1.4
284.03058	4.6
285.04053	1.9
299.02087	1.7
300.02676	2.0
310.54535	3.2
311.04907	1.7
315.01456	2.2
318.05667	2.4
318.55893	1.3
323.07764	6.2
325.56787	25.6
325.60410	1.8
326.07062	11.1
326.57355	1.9
337.09348	6.2
351.10745	1.1
367.10089	2.0
420.74432	1.0
462.08411	1.1
483.22513	2.4
501.13553	9.6
501.27240	23.4
501.63498	1.9
502.14310	1.5
502.27664	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	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.1
59.01257	100.0
66.37294	0.7
69.32400	5.8
71.01265	3.0
73.02818	0.8
73.27778	0.6
74.17873	0.6
78.74419	0.7
83.01282	2.0
85.02843	1.9
87.00738	1.1
89.02300	0.8
95.04915	1.0
97.02840	1.4
101.02338	1.0
109.02847	5.2
111.00767	4.2
113.02338	1.5
123.04424	3.9
125.02390	3.3
133.83688	0.8
137.02347	2.8
139.03885	1.0
149.02385	1.9
151.03926	2.2
161.04730	0.7
161.06013	1.7
164.01111	1.4
165.01872	1.7
167.03551	0.7
177.91296	0.7
179.03435	2.0
183.39903	0.6
187.04008	1.5
188.04799	0.8
203.07095	4.3
205.04962	3.4
207.08162	2.8
219.76410	0.7
245.08171	5.1
247.06075	1.1
283.10992	2.5
289.07199	24.5
289.10327	1.4
290.07593	1.9
294.64200	0.6
349.16672	1.1
371.09097	1.1
384.99991	0.7
457.18921	3.1
501.21448	12.6
502.21722	1.4
514.05811	0.7
515.12744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40792	0.5
56.66298	0.5
57.03329	3.2
59.01001	0.6
59.01254	7.9
59.62988	0.5
63.35112	0.6
68.99683	0.6
70.04278	0.5
71.01255	3.5
71.34581	0.8
71.34895	0.6
73.02814	0.8
81.03319	1.5
83.01264	5.3
85.02825	1.7
88.03935	0.5
89.02309	1.3
90.61774	0.5
93.03339	1.7
95.01254	1.4
95.04903	3.4
97.02830	7.4
99.00754	0.8
101.02326	0.7
102.94263	0.5
107.04872	0.7
108.02064	1.3
109.02837	22.8
110.03122	1.0
111.00764	3.5
113.02313	2.0
121.02849	4.5
122.03613	1.0
123.04412	16.3
123.08115	0.6
124.04668	0.8
125.02337	17.6
133.02765	0.7
135.04404	2.9
137.02344	15.1
139.03925	5.1
145.02849	2.1
146.03641	2.1
149.02345	6.7
150.03067	1.2
151.03926	8.6
152.04300	0.7
158.03630	0.7
159.04427	3.6
160.05145	2.0
161.02374	3.2
161.05988	7.4
162.03122	3.2
163.03888	1.8
164.01068	3.1
165.01826	5.4
165.12712	1.1
166.02667	0.6
167.03403	1.7
173.05994	1.3
175.02448	0.6
175.03937	2.6
175.07523	2.9
177.05411	1.7
179.03403	6.8
179.51900	0.6
182.76649	0.5
185.05962	1.0
187.03915	6.3
188.04706	5.7
199.07588	0.7
201.05453	0.9
201.11307	0.7
202.06267	2.6
203.03612	0.7
203.07077	18.4
204.07527	0.9
205.05013	13.4
206.05331	0.9
207.08069	1.2
212.04680	0.9
217.08630	1.1
221.08139	2.6
227.07181	3.6
230.05844	1.5
231.03014	1.5
233.11844	1.1
245.08150	21.6
246.08495	2.3
247.06068	2.4
251.12996	0.6
251.16483	1.1
267.07281	0.7
271.06271	1.1
283.10745	0.7
289.07178	100.0
290.07523	8.0
293.14032	0.7
305.13907	0.9
349.16556	2.1
395.18481	1.6
401.10770	0.7
457.18494	11.2
458.18881	1.8
483.19928	2.6
501.21323	45.8
502.21619	8.3
520.30847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25299	0.4
57.03316	2.8
59.01250	13.3
69.03339	1.1
69.50990	0.5
69.53029	1.2
69.53437	2.2
71.01254	4.5
72.99184	0.5
73.35201	0.4
75.00753	1.0
76.11918	0.5
77.62727	0.4
78.26029	0.4
81.03337	3.1
83.01249	4.6
83.04910	0.8
85.02811	2.5
87.00759	0.5
89.02301	3.5
90.04637	0.4
93.03352	2.0
95.01276	1.2
95.04888	3.0
97.02824	6.5
99.00770	0.5
99.04386	0.6
101.02296	2.7
103.72180	0.5
107.04851	0.6
108.02042	1.7
109.02834	20.7
111.04404	0.5
113.02316	2.7
115.71844	0.5
117.03297	0.6
119.03397	1.0
119.04939	0.5
121.02846	4.2
122.03633	1.4
123.04405	14.5
124.01571	0.9
124.04789	0.6
125.02335	14.8
133.02855	0.5
133.06502	0.5
135.03566	0.4
135.04401	2.9
137.02351	13.9
138.03145	0.9
139.03900	5.1
143.04900	0.7
145.02899	1.4
146.03659	2.1
147.04424	0.5
149.02348	6.2
150.03131	0.8
151.03912	7.9
158.03537	0.4
159.04428	3.5
160.05208	1.9
161.02348	2.6
161.04700	1.0
161.05986	7.5
162.03134	3.3
163.03889	1.8
164.01059	3.9
165.01857	5.0
165.12733	0.4
167.03372	2.1
173.05981	0.9
175.03958	2.4
175.07542	1.8
177.05499	1.0
179.03424	6.9
184.05107	0.5
185.06050	1.6
187.03922	6.5
188.04704	5.0
189.05144	0.7
199.07521	0.7
201.05486	0.9
201.11214	0.5
202.06252	2.7
203.07062	16.3
204.07428	0.9
205.04994	13.4
206.05446	0.6
207.13721	0.6
212.04875	0.5
213.05498	0.6
217.08641	1.1
221.08022	2.3
227.07031	2.3
230.05728	1.1
231.02953	1.9
245.08147	21.5
246.08548	1.3
247.06006	2.5
249.06177	0.7
251.12787	0.7
251.16444	1.3
271.06174	1.4
289.07178	100.0
290.07501	7.7
305.14035	0.8
316.94012	0.5
327.21692	0.5
349.16550	3.3
395.18506	1.8
413.19666	0.8
457.18396	10.0
458.18988	1.5
483.20068	2.5
485.44458	0.5
501.21298	48.6
502.21631	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	501.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.7
57.03333	5.6
58.00465	2.1
59.01254	42.8
68.99686	1.9
69.03333	2.8
69.48485	2.3
69.48901	8.4
71.01258	45.3
72.99187	6.4
73.02815	5.9
73.31149	1.4
75.00749	20.7
80.02542	4.6
83.01262	3.9
83.04897	1.2
85.02824	34.0
87.00770	13.4
87.79230	1.2
89.02322	14.9
91.03833	1.1
93.03330	2.4
95.01254	7.9
98.19788	2.2
99.00763	14.1
99.04398	4.8
101.02317	10.3
103.00254	4.2
111.00752	2.3
111.12881	1.4
113.02337	39.1
115.00243	2.2
117.01844	3.3
117.03346	3.4
119.03432	1.5
119.04916	2.9
121.06448	1.2
122.45351	1.1
125.02310	1.7
129.01839	2.1
131.03386	2.3
132.02037	1.6
134.03685	2.0
145.02870	10.2
149.04472	3.4
157.01395	2.3
160.01588	7.1
162.30249	1.1
163.03941	3.7
169.17894	1.3
175.02370	4.7
175.03926	8.8
175.79800	1.1
189.12798	14.6
191.05426	1.1
193.04991	2.9
205.07123	1.8
207.05099	2.0
207.13840	11.0
211.13271	1.4
233.11743	3.4
249.06142	23.3
250.06404	1.4
251.12868	13.6
265.07336	1.7
267.07217	63.6
268.07501	3.4
307.08328	3.2
325.16565	4.4
357.26154	1.6
439.19708	5.2
441.17621	1.4
483.19058	2.7
501.19794	100.0
501.30530	10.5
502.20013	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	501.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	0.9
64.27336	0.7
67.42587	0.7
69.53214	5.9
69.53558	0.8
71.01260	1.4
93.03345	0.7
101.02363	0.8
107.30790	0.7
117.03377	1.8
119.04920	100.0
120.05225	3.5
132.02071	5.7
133.02821	0.8
134.03619	7.6
135.04372	1.2
145.02899	1.0
149.06001	1.6
160.00224	1.7
160.01566	31.3
161.02248	3.3
163.03925	99.4
164.04243	3.5
166.05013	2.2
166.09042	0.7
175.03931	31.3
176.04305	1.7
177.05449	1.6
178.02620	0.9
193.04980	6.8
307.08182	0.9
323.07718	4.8
337.09290	31.2
338.09720	2.6
473.17014	0.9
501.13904	10.5
502.14297	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.9
60.71840	0.3
71.01256	1.8
73.02826	0.5
74.02335	0.3
83.01260	0.4
85.02835	0.9
87.00733	0.3
89.02328	0.6
91.14693	0.3
93.03360	0.7
95.01333	0.3
96.67809	0.3
96.95862	0.3
99.00774	0.3
99.10996	0.3
100.51128	0.2
101.02329	0.8
113.02332	1.2
117.03339	1.7
119.04919	100.0
120.05257	3.9
120.08071	0.5
121.02850	3.9
123.04414	0.5
128.03397	0.3
132.02068	5.0
133.02856	8.7
134.03653	5.7
135.04420	5.8
137.02385	0.3
145.02884	1.9
147.04367	0.3
149.06024	1.4
160.01576	22.1
161.02361	24.2
162.02835	1.2
163.03922	43.4
164.04300	1.9
164.07098	0.6
175.03925	23.3
176.04242	1.4
177.05492	9.3
177.07039	0.4
178.02623	0.6
178.05777	0.4
179.03416	4.6
193.04976	4.6
203.03387	0.5
209.47157	0.3
217.05045	0.5
220.03568	0.3
221.04463	2.0
323.07706	19.9
324.08020	1.6
337.09274	19.5
338.09708	1.5
501.13913	13.0
501.19156	0.6
502.14395	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	501.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52992	0.5
54.72099	0.5
57.03331	0.9
59.01250	15.8
69.24926	1.9
69.25346	4.0
71.01260	6.3
72.99190	1.3
73.02818	1.1
75.00732	2.5
80.12334	0.5
83.01261	0.9
85.02829	2.8
85.83798	0.5
87.00726	1.1
88.85355	0.5
89.02328	2.6
93.03337	1.2
95.01282	0.9
98.20492	1.1
99.00738	1.1
101.02321	3.1
107.34783	0.5
109.02879	0.6
113.02338	4.2
117.03328	1.5
119.04919	100.0
120.05247	5.1
121.02859	1.4
125.02394	0.7
132.02057	6.0
133.02861	8.6
134.03625	6.0
135.04433	7.3
137.02383	1.2
145.02905	2.7
149.06009	1.4
160.01575	22.1
161.02357	27.0
163.03925	51.8
164.04272	2.3
168.93684	0.5
175.03929	26.6
176.04350	1.5
177.05496	9.8
179.03412	5.8
183.13771	0.5
191.07004	0.6
193.04979	4.8
203.03401	0.5
211.13466	0.5
221.04466	2.9
245.13867	0.6
252.16074	0.6
267.07169	0.6
269.07874	0.9
323.07700	26.7
324.08032	2.6
337.09274	25.4
337.13354	1.2
337.21185	0.6
338.09479	2.4
343.31052	0.6
350.16202	0.8
372.48016	0.6
444.24899	0.5
501.13770	15.9
501.20129	2.8
501.29382	1.1
502.14395	2.6
502.25360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3281
Annotation	Discarine E
Peak:m/z	Relative Intensity
59.01264	7.3
71.01257	23.8
71.58215	1.1
71.58595	1.2
72.99189	3.6
75.00753	5.2
77.36549	1.2
78.95794	2.3
83.01245	1.2
83.04910	1.3
87.00777	1.6
97.02854	1.8
99.00710	1.4
106.43724	1.3
111.08025	1.7
115.00275	3.4
137.09630	1.5
163.11140	1.2
165.12753	2.8
171.10172	2.4
173.00925	2.5
177.12761	1.7
183.10301	1.8
183.13850	16.4
193.12274	2.1
195.12042	2.1
195.13855	49.0
196.14186	3.2
197.11789	3.6
211.13361	60.0
212.13687	3.4
213.14894	18.3
213.16721	1.4
271.22806	2.4
291.19669	15.0
307.69238	1.2
309.20712	22.4
310.21075	2.9
315.26984	5.1
316.27408	1.5
359.25916	3.9
377.27081	7.9
379.17639	1.7
389.27139	1.5
395.28000	2.3
407.28116	16.2
408.28455	2.9
425.29105	65.8
426.29663	9.9
481.24652	2.3
499.32837	100.0
500.33182	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	499.328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46933	0.9
59.01256	100.0
69.44480	7.6
94.60432	0.8
107.75210	0.8
108.72487	0.9
155.71185	1.0
245.53523	1.0
365.26981	10.0
366.27625	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	6.9
59.01251	44.8
61.72891	2.5
61.98702	3.6
68.99695	3.8
69.03308	3.3
69.50988	8.6
69.51403	14.3
71.01254	50.4
72.94552	3.0
72.99184	43.8
73.02802	4.1
75.00749	33.0
78.95788	4.3
81.03336	4.3
83.01263	4.7
85.02827	45.0
87.00764	20.0
89.02316	12.3
91.01741	4.4
93.03339	9.6
95.01269	8.5
96.95875	6.1
98.02340	10.0
98.20528	5.9
99.00755	22.2
101.02328	4.5
103.00227	5.9
109.02836	4.4
111.00745	3.2
113.02337	56.6
115.00256	3.7
117.01797	6.9
119.04903	9.7
122.03650	5.8
128.03455	5.4
129.01828	5.3
132.04443	3.1
134.03612	7.5
135.00752	9.1
136.01558	3.9
137.02364	3.2
146.02359	3.7
146.03571	4.7
147.03137	4.3
147.04416	8.1
150.03113	10.1
151.03912	7.4
153.01846	9.7
156.04446	9.9
156.90256	3.5
159.03101	3.0
160.01575	7.6
161.04665	4.5
162.03133	12.8
162.05513	5.1
163.03824	4.1
163.06306	16.1
164.04689	8.0
164.06963	3.3
165.05450	9.5
172.03996	3.3
173.04713	14.0
174.05563	4.8
175.02507	5.8
175.03897	14.9
176.03316	3.2
177.01865	6.3
177.05522	24.5
179.07155	3.6
184.03912	3.0
188.07103	6.7
191.03590	3.0
191.05573	11.5
193.04971	6.6
199.02623	6.9
200.03546	16.5
204.06583	3.9
205.05025	5.5
214.04967	15.3
217.03561	4.1
218.04553	5.5
232.02446	5.4
232.06125	36.7
233.06474	6.3
249.06151	71.4
249.08559	2.4
250.07178	100.0
251.07574	5.5
267.07166	93.3
268.07669	4.3
300.11163	3.1
306.09583	4.0
309.08099	4.8
327.08701	12.8
339.07346	2.9
348.09262	8.0
408.89569	2.8
409.31732	3.1
439.51172	3.4
442.11148	14.3
450.10269	8.0
482.13196	17.3
500.14279	38.0
501.15930	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	499.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42988	0.6
59.01257	72.5
60.01580	1.1
69.40042	3.4
69.40471	1.9
71.70483	0.6
73.16170	0.5
76.99051	0.5
78.40840	0.6
78.95786	11.3
82.02286	0.5
82.53674	0.6
90.69167	0.5
98.20580	1.1
116.10004	0.6
118.24494	0.5
152.99506	14.5
171.00539	3.2
227.03249	2.2
245.04306	7.7
250.86667	0.5
255.29872	0.6
271.22803	100.0
272.23126	9.0
295.70032	0.6
332.67078	0.6
347.25781	0.7
499.26846	28.1
500.27304	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	499.2915
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
55.01728	0.7
57.03318	2.0
58.00475	0.9
59.01256	41.9
60.01586	0.7
63.91463	0.7
71.01260	22.0
71.57819	1.3
72.99179	2.2
73.02820	2.2
75.00738	0.8
78.66276	0.8
83.01251	2.5
85.02812	5.0
86.98444	0.7
87.00758	1.8
89.02323	16.8
95.01288	1.1
99.00739	1.0
101.02331	14.0
102.02679	0.8
109.02863	1.3
113.02334	8.0
119.03399	7.7
122.03633	1.7
125.02318	2.5
125.34360	0.7
131.03464	1.2
137.02361	5.8
140.81075	0.6
149.02309	1.2
150.03120	1.7
161.04488	0.9
165.01843	7.5
179.05566	0.9
201.05627	1.1
211.13341	1.1
213.49062	0.7
220.00314	0.9
271.33093	0.7
287.05676	2.1
288.06522	3.8
337.23907	2.9
499.29181	100.0
500.29462	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	499.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62452	2.7
59.01255	100.0
60.40994	2.8
69.87426	9.5
69.87832	7.2
71.01270	4.2
74.02318	3.1
78.95787	3.1
83.87982	2.8
98.19865	3.4
100.23661	2.7
101.33257	3.2
113.02335	6.0
115.07556	3.4
143.04575	3.0
147.74898	2.9
152.99458	4.3
153.50081	2.7
175.79149	3.0
205.15904	9.4
236.36055	2.8
255.23302	5.1
271.22876	3.8
277.21744	46.6
291.23370	6.0
365.27151	4.7
424.72345	3.1
499.30707	20.8
500.31247	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	499.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	89.8
60.38903	0.7
70.86336	0.8
70.87128	1.9
75.76907	0.8
78.95782	30.2
96.96856	2.5
99.81850	0.9
128.03476	1.4
143.04587	1.5
152.99503	42.6
153.99847	0.9
171.00526	2.7
191.17226	0.8
209.11761	1.7
227.03206	10.6
245.04352	6.4
253.21671	0.9
254.07770	1.0
271.22803	100.0
272.23175	9.9
315.69574	0.9
455.16687	2.1
499.26779	69.3
500.27115	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	499.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58690	0.6
59.01253	66.7
60.01567	1.0
70.26349	1.6
70.26760	2.0
71.81287	0.6
78.95782	10.2
95.46016	0.6
96.96886	0.6
136.41972	0.6
152.99486	11.7
155.81715	0.6
169.02843	0.6
171.00597	1.8
182.79625	0.7
202.65437	0.7
227.03288	1.9
232.82890	0.7
245.04317	5.5
271.22800	100.0
272.23117	9.7
393.54480	0.7
499.26804	23.7
500.27106	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	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62947	0.6
55.01736	0.7
56.79912	0.7
57.03324	4.4
58.00459	1.0
59.01252	31.5
59.38333	0.7
59.61591	0.6
63.10886	0.6
67.01778	0.9
68.99698	1.3
69.03365	1.5
71.01254	27.1
72.99188	5.5
73.02792	1.7
75.00748	18.9
76.48063	0.6
81.03313	1.6
83.01260	2.3
83.04886	1.0
85.02826	28.0
87.00746	10.1
89.02319	8.2
91.03893	1.7
93.03336	1.6
95.01267	5.8
97.02871	0.9
99.00763	9.6
99.04372	1.4
101.02319	1.9
103.00264	2.2
109.02795	1.4
111.04353	1.0
112.01520	0.9
113.02330	39.5
115.00232	1.4
117.01816	2.3
124.01569	0.8
125.02359	4.3
129.01810	2.2
137.02336	1.3
149.04524	0.9
157.01323	1.2
161.13268	10.4
162.13596	0.7
165.01869	0.9
171.23389	0.7
175.02470	3.4
187.11183	2.0
188.78372	0.7
205.07147	1.7
205.12280	9.2
207.04819	0.9
223.08134	0.8
231.05042	1.9
239.03694	0.7
249.06143	25.5
250.06613	1.9
267.07205	100.0
268.07526	5.7
323.15073	0.7
337.23853	3.3
357.13290	0.8
437.17957	1.2
455.19217	34.2
456.19516	3.8
499.18295	13.9
499.32999	0.9
500.18613	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1824
Annotation	Rolapitant
Peak:m/z	Relative Intensity
57.03323	2.0
59.01251	21.8
69.03321	3.0
71.01252	16.7
71.58272	1.2
72.99181	1.5
73.02813	5.5
75.00744	2.5
83.01250	2.4
85.02824	8.3
87.00757	2.5
88.75443	0.7
89.02308	6.0
93.03334	1.3
95.01264	2.5
97.02837	2.7
99.00758	8.6
101.02322	6.3
106.37920	0.6
107.01286	0.9
108.02036	1.0
109.02800	0.8
111.04411	1.0
113.02332	13.2
115.00229	0.9
119.03457	0.7
119.04913	1.0
121.02860	1.2
123.00783	4.7
123.01508	0.9
124.01562	21.4
125.02348	32.0
126.02663	1.0
131.03365	0.9
137.02324	2.7
143.03377	1.2
145.02795	0.8
147.04398	1.6
148.05206	97.6
149.05576	4.4
149.99503	21.9
151.00339	3.1
161.02402	0.7
161.04457	4.8
163.07562	100.0
164.07877	4.4
165.01802	1.0
167.03412	1.4
168.00560	42.0
169.01297	5.6
175.02382	0.9
185.11819	2.1
191.05524	2.1
203.05574	0.8
235.06009	0.8
249.06088	2.1
267.07190	14.4
268.07565	1.3
312.72351	0.6
446.44168	0.7
455.19250	2.6
457.17123	18.1
458.17538	2.0
481.16995	0.8
499.18228	79.7
499.30463	2.0
500.18506	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	499.1979
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
56.84344	0.5
57.18714	0.5
59.01254	100.0
60.01604	1.5
60.95860	0.5
61.98720	0.8
62.56814	0.5
68.85040	0.5
69.03308	0.6
71.01247	2.8
72.73288	0.5
73.02824	0.8
74.15146	0.5
75.00759	0.8
76.10197	0.5
79.02995	0.5
83.01260	0.9
85.02834	1.7
89.02309	1.0
93.03337	0.6
95.04912	1.0
97.02828	0.9
99.13341	0.5
101.02338	1.6
109.02859	7.2
109.06446	0.5
113.02353	1.7
121.02843	0.8
122.03665	1.2
123.00695	0.7
123.04418	9.5
125.02348	2.7
135.04466	1.0
137.02348	2.8
139.03938	0.9
145.02853	0.8
149.02345	1.3
150.03116	0.9
151.03960	3.3
161.02429	0.9
161.04433	0.6
161.05981	1.0
162.03053	0.5
163.00299	0.5
163.03908	1.6
163.11214	0.7
164.01039	2.2
165.01894	2.7
175.03902	0.6
177.63843	0.5
187.04042	0.8
203.07214	0.6
205.05003	1.2
205.12025	0.7
205.36923	0.6
217.15820	0.9
270.05191	0.6
273.11340	1.1
291.12485	4.9
291.15799	1.0
303.12363	1.6
315.18454	0.8
329.14069	0.7
331.11786	1.7
331.15500	1.2
347.14978	1.2
357.13458	1.4
375.14484	3.7
375.21881	0.6
455.16983	3.2
481.18747	1.8
499.19742	40.6
500.20181	5.9
522.89941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
59.01251	100.0
60.01585	0.9
61.29578	0.3
61.98719	0.5
69.39672	1.5
69.40086	1.8
71.01255	1.7
73.02827	0.8
83.01286	1.2
85.02824	0.9
87.00758	0.6
89.02318	0.6
95.04895	0.6
97.02837	0.6
98.20511	0.6
99.00800	0.6
101.02328	0.8
107.80998	0.4
108.02020	0.4
109.02850	3.3
113.02340	1.1
121.02827	0.4
122.03590	0.7
123.04414	5.3
125.02325	1.6
137.02373	1.0
139.03979	0.5
143.66776	0.3
149.02376	0.9
150.03162	0.5
151.03905	1.4
155.36058	0.3
161.04504	0.6
161.05916	0.9
163.00328	0.5
163.03865	0.9
163.11192	0.6
164.01091	0.9
165.01787	1.5
183.45302	0.4
223.13397	0.5
244.24255	0.4
273.11426	1.2
289.57202	0.4
291.12524	2.4
303.12601	0.5
303.16122	0.4
313.11011	0.4
331.11880	0.9
345.13373	0.5
347.14954	0.5
357.13431	0.9
375.14505	1.2
397.22537	0.5
455.17139	1.3
481.18527	0.8
499.19742	20.0
500.20111	3.5
525.30121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.8
57.03338	3.4
57.03564	0.7
58.00474	0.8
59.01254	22.5
61.98702	1.4
63.38607	0.6
66.68417	0.7
67.01758	0.8
68.99699	1.8
69.03333	1.6
69.56503	4.8
71.01255	24.7
72.38708	0.6
72.99181	5.0
73.02811	2.5
75.00748	17.0
75.16529	0.6
83.01267	1.4
83.04944	0.7
84.02013	0.8
85.02828	26.6
87.00754	10.0
89.02317	7.5
91.03868	0.9
93.03329	0.9
95.01263	6.8
98.19776	0.9
99.00758	10.1
99.04389	1.1
101.02336	1.6
103.00241	2.6
105.27456	0.7
107.04990	0.9
109.02847	1.4
111.00739	1.3
112.01559	0.7
113.02337	36.8
114.02614	0.8
115.00240	2.2
117.01839	2.4
118.97372	0.6
124.03873	0.8
125.02331	3.1
129.01837	2.7
131.03380	0.9
137.02357	1.7
143.04559	0.9
157.01314	1.2
161.13269	10.3
162.13615	1.0
165.01874	0.8
175.02419	3.7
179.03337	1.0
187.11234	2.7
191.05516	0.8
197.70847	0.9
205.07092	2.3
205.12289	9.4
206.12511	0.8
207.05086	1.9
221.08197	0.7
223.08162	1.1
229.07375	0.7
231.05133	2.3
249.06134	28.4
249.11440	1.4
250.06615	1.3
263.70654	0.7
267.07214	100.0
268.07596	4.0
323.14938	1.0
328.47519	0.7
372.65417	0.6
377.57739	0.7
380.06952	0.7
437.18414	0.9
455.19235	25.8
456.19656	3.0
499.18234	17.2
499.25159	1.4
500.18658	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.146
Annotation	kn-93
Peak:m/z	Relative Intensity
57.03329	1.3
59.01250	2.3
60.99163	4.4
65.52286	1.2
66.26308	1.3
67.01758	13.1
69.03311	3.6
69.96447	6.2
71.01238	5.1
73.06979	1.0
75.60813	1.2
78.89397	1.3
81.03318	2.1
83.04861	1.7
84.41530	1.2
85.02814	5.3
87.00758	18.8
93.03336	82.2
94.03637	2.8
99.00752	2.2
109.00821	1.1
111.04415	12.7
113.02281	1.4
119.04918	39.1
127.03886	1.5
129.01830	3.5
145.02884	1.8
155.03395	4.1
163.03928	26.5
164.04190	1.6
173.04471	21.9
191.05544	100.0
192.05910	4.5
192.41064	1.1
239.72926	1.1
337.09296	12.0
338.09308	1.4
379.10297	3.2
418.93152	1.2
499.14587	78.8
500.14905	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	499.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87974	1.5
57.03331	13.2
58.00476	1.7
59.01258	18.4
60.71157	1.5
63.99967	1.4
67.00713	1.3
68.99696	1.5
69.03332	18.8
69.65430	1.4
71.01256	26.6
71.57767	2.5
71.58125	1.6
72.99178	5.0
73.02824	2.1
75.00748	13.2
81.03330	1.9
83.01286	1.6
83.04918	2.9
85.02827	26.4
87.00760	11.2
87.04404	2.8
89.02325	8.7
91.03886	2.1
91.78328	1.3
93.03323	1.7
95.01264	6.4
95.04939	1.5
96.95879	3.2
99.00788	7.0
99.04367	3.4
101.02341	1.7
103.00260	14.2
109.02859	1.6
109.06454	9.2
111.08072	1.7
113.02335	31.4
117.01836	2.6
119.04915	2.2
121.06477	1.5
127.07555	4.9
129.01826	2.7
131.03444	2.3
135.04440	1.7
135.48151	1.4
139.07565	4.8
149.06000	2.2
157.08577	4.8
163.03889	2.0
169.08670	2.0
175.02414	3.0
180.68852	1.5
183.06535	2.5
188.06149	1.4
201.07620	35.5
202.07976	1.7
231.08658	3.9
249.06134	30.2
249.08736	1.8
249.09930	3.3
250.06831	1.7
267.07217	100.0
268.07468	3.4
352.14093	1.4
448.85956	1.8
451.14523	3.4
499.16147	6.3
500.13904	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	498.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16947	1.2
55.01776	1.9
57.03340	4.8
59.01257	26.7
69.03336	2.1
71.01259	36.7
71.58037	1.7
72.99182	9.0
73.02832	3.8
75.00752	38.4
78.95808	1.3
83.01269	3.7
85.02832	33.7
86.02386	1.1
87.00775	12.8
89.02325	15.5
95.01282	4.2
96.00783	1.3
96.95909	1.6
97.02865	2.5
99.00774	11.0
101.02325	11.5
103.00250	1.3
107.81061	0.9
109.02911	1.2
111.00771	1.8
112.03960	2.3
113.02339	40.7
113.03500	3.1
113.85352	1.1
114.02734	1.2
115.00314	4.2
117.01838	1.9
119.03409	4.0
119.04945	1.2
123.00858	1.8
124.01573	2.5
125.02336	8.2
128.44725	0.9
129.01910	1.9
130.06577	1.1
130.25253	1.0
131.03391	6.0
137.02341	1.8
149.99498	5.2
151.00307	1.1
157.01413	1.3
160.07666	4.6
161.04561	1.0
166.05016	1.5
168.00568	9.8
173.04463	8.2
175.02483	4.8
191.05606	1.9
195.42018	1.1
235.04616	1.1
249.06265	1.7
267.07251	1.6
304.45844	1.1
322.13187	4.1
328.67285	1.2
374.58444	1.1
480.15097	1.3
498.16492	100.0
499.16257	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	499.146
Annotation	kn-93
Peak:m/z	Relative Intensity
51.06724	1.0
56.29710	0.8
57.03313	2.2
59.01262	5.0
60.99168	4.1
64.77486	1.0
65.00177	1.0
67.01765	10.4
69.03326	3.7
70.00775	5.0
71.01247	6.9
72.86023	0.9
75.00767	1.6
81.03339	2.1
81.81759	1.1
83.01245	1.0
85.02828	5.7
87.00754	15.2
93.03342	71.8
94.03667	1.6
98.19852	1.2
99.00772	3.1
100.07614	1.0
101.02306	1.3
109.02887	1.1
111.04402	10.6
113.02316	3.4
119.04923	32.9
120.05237	2.0
129.01839	2.7
143.03357	1.5
145.02840	2.1
155.03404	2.6
157.02425	1.4
158.04492	1.1
161.02327	1.2
163.03928	25.6
164.04256	1.6
173.04489	33.8
174.04874	1.5
191.05556	75.2
192.05867	2.7
233.06557	1.9
337.09280	14.4
341.10742	1.9
379.10242	1.6
427.51587	1.1
499.14575	100.0
500.14960	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23056	0.4
55.01745	0.9
57.03320	1.6
58.00478	0.7
59.01256	53.6
61.87862	0.4
69.03327	1.0
71.01259	32.2
71.57605	0.5
72.99186	1.8
73.02821	27.7
75.00758	0.7
78.95786	1.1
83.01264	8.6
85.02833	5.8
87.00766	3.1
89.02318	7.6
95.01251	1.6
97.02825	0.9
99.00771	1.5
101.02330	21.4
111.08051	0.9
113.02339	7.0
113.09589	0.5
119.03400	2.0
125.02403	0.6
131.03375	1.1
137.88304	0.5
143.03381	1.0
152.99529	1.1
155.03438	0.4
161.04483	2.0
167.10707	0.6
179.14323	1.2
181.12299	0.9
183.10190	1.0
183.13853	0.8
193.27480	0.4
195.13882	0.8
197.11774	0.5
205.15956	0.6
211.13345	10.7
223.13318	2.2
225.11287	0.6
231.21141	0.9
275.20148	11.4
276.20538	0.8
277.21753	3.7
293.21234	30.9
294.21613	1.9
299.48865	0.5
315.63678	0.4
356.96616	0.5
405.26224	0.6
429.96036	0.5
437.25427	8.8
438.25864	1.1
455.26505	19.5
456.26761	2.0
497.27588	100.0
498.27905	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	497.2758
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01769	1.5
57.03323	1.7
58.00467	2.1
59.01255	100.0
60.01575	1.3
61.06378	0.9
61.98698	0.9
69.03321	3.5
71.01260	61.4
72.99178	3.4
73.02824	63.0
74.03188	1.0
74.43468	1.0
75.00731	0.9
78.95778	2.4
81.03314	1.0
83.01264	23.0
85.02827	8.3
87.00744	4.0
89.02337	11.4
95.01280	3.0
98.20551	2.2
99.00774	2.4
99.25673	1.0
101.02330	52.0
113.02328	13.9
119.03433	4.4
125.02339	2.3
125.09612	0.9
131.03419	2.1
139.07559	3.0
139.11211	1.0
143.03418	3.0
149.04437	2.4
152.99495	1.2
161.04443	6.7
165.12764	0.9
165.95197	0.9
171.10201	2.2
183.10268	1.0
183.13747	1.0
211.13387	4.9
225.49576	0.9
231.21114	1.1
275.20178	34.1
276.20578	2.8
277.21741	3.6
285.64847	0.9
293.21231	28.0
294.21518	2.2
329.23505	1.6
437.25430	13.7
438.25732	1.6
455.26529	25.3
456.26703	4.7
497.27600	95.8
498.27948	13.1
499.30026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03320	3.7
58.00465	4.1
59.01254	100.0
60.01600	1.6
61.57656	1.0
61.99207	1.0
68.36078	1.2
69.03341	1.5
70.42208	1.2
71.01257	72.7
72.01611	1.5
72.99181	6.5
73.02823	4.3
75.00731	1.1
78.95782	3.7
83.01273	3.5
85.02831	15.9
87.00767	4.1
89.02322	78.1
95.01267	7.0
99.00777	2.4
99.08064	1.9
101.02327	42.7
103.30470	1.1
104.04587	1.0
110.98418	3.0
111.04408	1.3
113.02336	29.9
119.03394	38.7
119.08550	2.4
121.10151	1.5
125.02393	1.8
125.09607	1.6
127.11148	1.8
131.03389	5.1
139.11185	6.6
143.03403	4.7
143.04434	1.3
149.04463	2.8
161.04483	5.8
163.07556	1.5
167.01115	1.8
171.10204	15.2
179.05534	10.4
181.08582	2.3
183.10204	3.9
183.13809	1.1
185.02161	1.3
211.13348	5.2
229.14444	4.2
249.06094	1.2
305.21255	1.6
313.12943	4.4
315.14520	5.4
329.23312	27.5
330.23691	1.8
335.22299	2.8
453.23492	1.1
474.38040	1.0
497.26007	20.2
498.25940	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	497.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	3.0
57.03325	5.7
59.01252	19.1
65.36296	0.8
68.99669	1.2
69.03339	1.7
71.01257	28.9
71.57314	1.2
72.01594	0.9
72.99177	5.4
73.02819	4.5
75.00746	27.9
75.24806	0.7
79.27325	0.7
83.01256	2.9
83.02381	3.8
84.02007	1.3
85.02828	33.1
87.00745	10.4
89.02316	3.1
93.03351	1.3
95.01266	4.1
97.02827	1.5
99.00755	11.5
99.04420	1.3
101.02335	8.5
111.00755	2.1
112.01557	1.1
113.02338	27.4
115.00231	2.2
117.01839	1.4
119.04866	0.9
127.01377	4.7
135.02873	2.0
135.04425	1.9
137.02319	1.0
139.00294	0.7
157.01375	1.3
161.04466	2.1
169.40417	0.7
173.04498	3.1
175.02374	3.2
179.03423	1.8
191.05615	0.9
233.06635	2.8
267.07193	1.9
299.54111	0.7
321.19135	1.7
335.07608	1.0
349.02679	0.9
379.16113	2.6
437.20395	1.1
497.22437	100.0
498.22784	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2758
Annotation	Ephemeranthoside
Peak:m/z	Relative Intensity
50.09479	0.5
50.31264	0.5
53.45487	0.5
55.01764	1.9
57.03321	1.2
58.00477	4.6
59.01253	100.0
60.01591	0.9
67.85105	0.5
71.01255	67.3
72.01595	1.3
72.99183	5.0
73.02827	2.1
75.00763	1.3
81.03336	0.6
83.01247	4.1
85.02827	12.6
87.00751	4.0
89.02318	75.1
95.01264	4.1
97.02828	0.9
99.00748	2.2
101.02325	39.1
102.02642	1.2
109.02875	0.5
113.02333	28.1
114.09561	0.6
119.03394	33.9
123.00711	1.6
124.01560	4.1
125.02347	9.4
125.79430	0.5
126.02679	0.7
131.03392	3.9
131.04893	1.1
137.02258	0.6
143.03413	5.8
143.04449	1.1
149.04466	2.6
149.37680	0.5
149.99509	4.8
153.01810	0.6
153.99840	0.5
161.04469	4.5
168.00552	9.6
169.01215	1.9
171.39085	0.5
173.04533	0.6
179.05540	9.7
229.54640	0.6
249.06000	1.1
255.02988	0.8
260.79526	0.6
267.07239	4.4
283.02423	1.0
289.07019	0.8
299.19894	0.9
305.20938	0.5
335.21960	2.1
355.41562	0.6
448.22714	0.5
497.09586	1.0
497.16199	17.6
497.27094	12.4
498.16675	2.2
498.27240	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.167
Annotation	6-O-Vanilloyl-ajugol
Peak:m/z	Relative Intensity
57.03317	1.8
59.01251	5.2
62.68790	0.8
69.03326	2.8
71.01254	7.2
71.57446	1.0
72.99171	0.9
73.02820	1.9
75.00769	1.0
79.66025	0.9
81.03335	2.4
85.02810	6.9
89.02319	1.4
93.03340	2.1
95.01286	4.7
97.02850	1.0
99.00761	1.7
101.02312	2.9
108.02057	90.6
109.02850	58.9
110.03180	1.4
111.04397	1.7
113.02325	2.3
119.04946	1.1
121.02870	2.8
123.00768	2.7
123.04408	2.3
125.02290	1.3
125.09599	3.3
135.04428	1.1
143.04495	1.2
145.02812	1.0
151.03911	2.4
152.01062	90.3
153.01851	29.9
154.02101	1.4
161.04443	1.6
163.03871	2.5
165.01840	2.3
169.08653	4.0
170.08900	1.1
181.08656	1.8
205.04913	1.0
209.11771	1.3
253.17668	1.0
267.07254	2.0
297.06110	1.3
306.07455	1.2
315.07199	4.2
467.15573	11.7
468.16336	1.7
479.15585	30.5
480.15988	3.8
487.34888	0.8
497.16660	100.0
498.17087	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1667
Annotation	Globulusin B
Peak:m/z	Relative Intensity
53.60917	0.4
57.03313	0.4
59.01252	12.1
61.98700	1.1
63.56250	0.4
67.01772	0.6
69.03324	3.7
71.00890	0.8
71.01254	8.9
72.99182	1.0
73.02816	0.8
74.02336	0.5
75.00735	1.1
81.03347	0.7
83.01268	1.9
85.02827	3.2
87.00760	1.3
89.02316	9.8
92.97735	0.4
95.01278	2.1
97.02821	2.8
99.00746	1.0
101.02319	4.3
107.01261	0.8
108.02031	1.3
109.02835	1.5
111.00728	0.6
113.02349	4.7
119.03379	3.6
123.00768	6.7
124.01563	24.4
125.02340	49.9
126.02654	1.3
135.04303	0.4
136.01576	0.6
137.02353	2.3
143.03424	0.5
143.04544	0.6
149.02446	0.4
149.99492	27.9
151.00290	2.7
152.01140	0.6
152.99454	0.5
159.11601	0.5
161.04419	0.7
167.03447	0.9
168.00555	54.6
169.01311	6.7
174.01610	0.8
175.02419	0.5
179.05548	0.8
183.10144	0.5
203.10690	0.8
204.95441	0.4
249.06166	1.3
261.07855	2.2
267.07156	5.4
300.02301	0.4
306.01959	0.4
306.07629	0.4
313.05634	1.7
479.15384	0.8
497.16666	100.0
498.16977	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	497.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.8
59.01251	5.2
62.68790	0.8
69.03326	2.8
71.01254	7.2
71.57446	1.0
72.99171	0.9
73.02820	1.9
75.00769	1.0
79.66025	0.9
81.03335	2.4
85.02810	6.9
89.02319	1.4
93.03340	2.1
95.01286	4.7
97.02850	1.0
99.00761	1.7
101.02312	2.9
108.02057	90.6
109.02850	58.9
110.03180	1.4
111.04397	1.7
113.02325	2.3
119.04946	1.1
121.02870	2.8
123.00768	2.7
123.04408	2.3
125.02290	1.3
125.09599	3.3
135.04428	1.1
143.04495	1.2
145.02812	1.0
151.03911	2.4
152.01062	90.3
153.01851	29.9
154.02101	1.4
161.04443	1.6
163.03871	2.5
165.01840	2.3
169.08653	4.0
170.08900	1.1
181.08656	1.8
205.04913	1.0
209.11771	1.3
253.17668	1.0
267.07254	2.0
297.06110	1.3
306.07455	1.2
315.07199	4.2
467.15573	11.7
468.16336	1.7
479.15585	30.5
480.15988	3.8
487.34888	0.8
497.16660	100.0
498.17087	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1675
Annotation	6-O-Vanilloyl-ajugol
Peak:m/z	Relative Intensity
59.01257	2.4
69.03323	1.5
71.01255	4.6
73.02831	1.8
75.00785	1.0
81.03337	2.6
83.01267	1.1
85.02817	4.7
89.02350	0.9
91.01764	0.8
93.03351	3.0
95.01250	4.3
96.14550	0.7
98.19749	1.6
99.00757	1.9
101.02341	1.6
108.02057	94.2
109.02852	62.8
110.03188	2.2
111.00787	1.3
111.04408	6.3
113.02335	2.0
120.29156	0.8
121.02833	4.3
122.03621	1.0
123.00778	3.9
123.04430	0.9
125.02329	1.3
133.02914	1.0
135.00812	1.0
135.04372	1.0
137.02269	1.2
140.56682	0.8
151.03893	2.5
152.01065	100.0
153.01859	33.1
154.02138	0.9
163.00336	0.8
163.03891	2.7
165.01842	3.3
173.04495	1.6
175.07556	0.9
178.99863	1.3
179.03506	0.9
181.01372	3.0
181.08661	1.6
195.02922	1.0
201.05667	1.0
206.99275	2.6
219.02969	0.9
233.06601	1.1
287.02100	0.9
289.02640	1.0
297.06094	4.4
299.02072	0.8
315.01517	1.4
315.07196	9.2
316.02094	2.7
317.02307	2.4
339.19797	0.9
361.07635	3.0
387.06000	1.1
408.10666	2.9
409.11420	2.5
451.32996	2.2
467.15649	24.0
468.15970	3.0
479.15573	96.9
480.15973	12.5
497.08575	2.4
497.16592	24.1
498.17130	3.2
522.63934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69147	3.2
59.01252	7.9
61.98701	17.0
65.00169	3.5
68.31542	2.8
79.11716	3.2
83.01243	3.9
87.00739	4.9
98.20570	6.4
99.00753	4.6
107.01273	4.0
109.02828	6.6
111.00761	4.2
121.02859	4.5
121.30721	3.4
123.00773	5.3
125.02325	2.9
127.00443	2.7
139.00285	3.9
151.00284	17.1
153.01811	5.0
163.00250	4.2
169.32060	3.0
174.03279	3.5
177.01996	3.5
178.99765	11.2
203.03473	4.1
219.02885	4.4
227.03349	3.6
241.48399	2.9
243.02939	10.8
247.02441	4.0
255.02907	28.7
271.02469	47.4
300.02740	84.6
301.03513	78.2
302.03815	6.0
433.07755	100.0
434.07883	9.0
451.17395	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	496.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.4
59.54272	2.0
61.12153	2.0
61.98701	17.2
65.00195	4.0
70.98069	5.5
71.01263	4.6
78.95782	5.6
85.02838	2.0
93.02204	2.2
95.01232	2.7
107.01263	2.8
109.02827	7.4
109.99924	2.2
111.00768	7.9
114.80775	2.0
121.02831	4.2
121.81600	2.2
123.00774	2.8
123.04371	2.2
125.02264	2.9
127.00260	2.2
137.02321	3.0
138.97990	2.5
139.00267	5.8
151.00258	19.1
152.01057	2.9
153.01860	4.2
153.05420	3.1
154.99748	5.2
158.46355	2.2
161.02293	3.2
163.00281	7.8
165.01801	2.2
166.99750	2.7
169.01265	3.8
177.01930	2.3
178.99767	11.5
181.01376	3.1
187.03981	3.0
194.00911	4.9
194.99287	2.2
211.00063	4.1
227.03481	4.1
243.02943	9.2
244.03476	2.1
255.02956	25.6
259.02316	2.5
271.02490	52.2
272.02985	5.6
273.04025	3.1
276.21536	2.5
283.02429	2.8
299.01880	2.9
300.02777	80.4
301.03482	88.6
302.03934	5.2
303.01413	4.5
315.76010	2.1
380.94659	2.6
391.30090	2.3
433.07739	100.0
434.08130	9.4
449.07156	2.6
497.08130	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	495.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29823	1.3
57.03321	6.3
59.01254	24.9
61.89243	1.6
65.03817	2.2
69.03330	5.2
71.01257	5.0
71.04906	1.8
71.34783	3.0
71.76061	1.5
78.95784	14.0
81.03339	3.1
83.04911	14.2
85.02831	10.0
85.06461	2.4
89.50240	1.5
91.03936	1.7
95.04939	2.2
95.25695	1.3
97.02860	2.7
97.06476	8.0
107.04926	2.6
109.06487	5.9
110.98420	11.7
111.08041	8.9
119.04936	2.9
119.08542	2.3
121.02677	1.5
121.06503	2.1
123.08037	4.5
125.09619	15.5
127.11204	3.9
133.06554	2.1
135.07990	1.8
137.09639	7.1
151.11201	2.6
152.99513	1.8
155.10809	2.0
155.93114	1.5
163.11191	2.6
165.12767	3.7
167.01079	5.2
167.10757	2.0
171.10210	100.0
172.10539	5.0
177.12662	1.5
181.12311	1.5
183.10252	2.6
183.13860	22.6
185.02179	5.7
185.11748	9.7
187.14813	3.9
189.16560	2.0
193.12230	2.5
197.11780	2.4
205.12358	1.7
205.15976	7.5
207.13797	10.9
209.11800	23.0
211.13359	56.2
212.13672	3.5
215.14352	3.8
219.10300	1.6
221.11861	3.5
221.15428	5.1
223.13466	2.0
225.11353	1.6
227.12828	2.9
229.14346	6.9
231.13899	10.1
233.15451	39.4
234.15761	3.1
235.13403	4.9
237.15019	1.8
247.13281	1.7
249.14969	33.9
250.15205	4.0
251.16599	2.6
257.17575	5.7
273.14941	1.6
283.19250	4.2
291.19504	2.7
309.17328	1.6
309.20798	2.6
313.25250	2.1
315.37830	1.7
323.23627	2.7
327.21771	73.4
328.21948	7.1
331.26361	2.7
341.25031	6.7
349.27737	1.6
357.24133	1.9
359.26123	3.5
367.22638	3.5
375.25461	5.0
377.26907	5.1
385.23865	14.6
386.23978	2.4
393.26581	4.1
403.19516	3.6
403.24899	69.7
404.25146	10.1
421.26010	95.5
422.26355	15.6
448.09882	1.4
477.22198	1.3
477.28610	24.0
478.28848	5.2
495.23508	40.6
495.29745	73.4
496.24106	3.5
496.30374	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	495.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.2
59.01257	12.0
65.03831	1.9
69.03331	5.3
71.01261	3.4
71.04882	2.1
71.57548	1.7
71.57935	2.3
73.02824	1.6
75.33224	1.1
78.55734	1.2
78.95786	6.4
81.03343	4.7
81.53185	1.1
83.01282	1.5
83.04903	11.4
85.02842	2.8
85.06465	4.3
89.02326	2.3
91.03895	1.7
95.04959	2.4
97.06482	6.2
105.07024	1.5
107.08524	2.4
109.06477	4.6
110.98420	3.3
111.08076	8.5
121.10150	1.7
123.08067	4.4
125.09620	23.6
127.11186	1.5
135.07993	1.5
137.09648	3.4
151.07574	1.7
152.99577	2.4
155.10751	1.2
163.11215	1.9
165.12814	2.9
167.01012	2.0
169.08592	5.6
171.10196	42.3
172.10583	2.7
174.36052	1.5
177.12852	1.8
182.80898	1.1
183.10234	1.6
183.13823	10.5
185.02112	1.5
185.11760	4.4
187.14847	3.4
189.16389	2.6
201.12880	1.6
205.15935	7.4
207.13861	4.2
209.11787	10.9
211.13350	34.0
212.13643	1.8
213.12946	1.2
213.14877	2.9
215.14427	9.1
221.15460	4.4
223.13390	1.4
229.14325	1.5
231.13904	7.9
233.15451	100.0
234.15782	8.4
235.13336	2.2
235.16930	1.3
247.13216	1.4
249.14983	29.2
250.15161	1.6
251.16525	4.9
252.13763	1.4
257.17612	2.4
283.19324	1.5
309.20853	1.7
323.24033	1.6
327.21909	14.5
331.26440	5.2
341.24997	5.5
359.26001	3.3
367.22964	4.0
368.23151	1.2
375.25345	6.5
385.23856	30.1
386.24106	3.8
393.26614	4.8
403.24905	87.8
404.25266	16.0
421.26013	74.8
422.26257	11.0
477.28635	91.7
478.28976	17.5
495.23834	6.2
495.29749	74.8
496.24072	1.3
496.30206	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	495.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.8
59.01263	14.4
61.09768	1.7
62.62542	1.4
65.03862	3.6
69.03340	2.0
71.01248	4.8
71.04898	3.0
71.58389	2.4
73.02862	1.8
75.00750	2.0
78.62734	1.6
78.95780	6.6
83.04897	12.5
85.06475	4.3
91.03920	1.7
97.06487	8.4
109.06474	4.8
111.08046	8.9
123.08069	4.3
125.09626	25.3
135.07942	2.1
137.09618	2.0
151.11229	2.2
152.99554	5.0
153.09123	2.6
163.11310	1.9
165.12801	3.9
171.10196	35.8
183.13821	19.6
185.02109	1.7
185.11736	3.7
187.14801	2.8
189.16405	4.4
205.15923	8.7
207.13828	2.4
209.11737	11.4
211.13358	42.6
212.13747	3.2
215.14455	11.0
221.15553	3.0
227.12872	3.3
231.13922	5.7
232.14171	1.8
233.15451	100.0
234.15779	7.5
249.14967	29.2
251.16519	5.2
257.17642	2.9
287.20209	2.3
291.19531	2.2
309.20636	2.1
323.24051	2.8
327.21964	2.3
331.26474	5.6
341.24857	5.5
357.24380	2.3
359.25961	4.2
367.22882	3.9
375.25443	7.4
377.27161	3.0
385.23935	28.7
386.24344	4.5
393.26590	4.7
403.24915	84.3
404.25378	8.8
421.25989	65.9
422.26385	7.4
426.53735	2.5
477.28601	87.2
478.28986	12.6
495.29700	74.0
496.30334	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	495.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.9
58.00472	1.1
59.01251	100.0
60.01594	0.5
61.98710	1.7
69.03336	1.6
69.70432	4.1
71.01254	37.1
71.41615	0.5
72.99174	3.2
73.02821	18.7
75.00746	5.5
78.95782	7.1
83.01267	9.0
85.02829	12.8
87.00742	4.1
89.02319	17.1
90.02670	0.7
95.01249	3.6
97.02840	1.3
97.06464	0.8
98.19823	0.8
99.00758	3.4
101.02325	28.5
106.21580	0.6
107.01281	1.5
109.06426	0.6
110.98454	1.2
111.00729	0.7
113.02334	20.1
114.02654	0.6
119.03381	6.8
119.04877	1.4
123.00781	5.4
124.01594	0.7
125.02351	1.1
125.06001	1.9
131.03412	1.8
133.02846	0.6
133.06468	0.6
134.03639	1.4
135.04413	24.7
135.05443	1.3
136.05142	1.4
143.03410	2.4
143.04456	0.6
149.04462	2.1
149.05995	2.2
149.99487	3.3
151.00252	1.4
151.07567	11.2
152.08339	12.0
152.99518	8.9
161.02406	1.0
161.04443	5.8
165.09161	1.6
165.12715	0.5
167.01030	0.6
169.01318	1.5
171.10196	3.1
175.02397	1.2
175.03909	1.0
179.03450	1.2
179.05609	2.5
181.12419	0.6
185.02225	1.2
193.27020	0.7
203.10684	5.1
209.11876	1.9
211.13327	3.7
215.10789	1.1
216.97745	0.7
217.12308	3.2
218.13092	1.4
229.14357	0.8
241.05008	0.6
273.18631	4.4
285.04025	9.7
286.04825	10.1
287.05396	1.2
291.19589	4.2
303.19824	1.4
315.19763	2.4
327.21741	6.6
333.20624	8.2
417.22913	1.7
435.23837	23.0
436.24133	4.5
438.22372	0.8
453.24902	19.8
454.25165	3.1
477.25031	1.1
495.25583	38.6
496.25998	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	495.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
68.39956	1.5
71.57742	2.0
72.39992	1.7
73.55667	1.6
78.95779	47.1
96.96864	3.8
97.18127	1.6
126.48647	1.5
136.94086	1.8
152.99495	63.9
171.00591	16.4
227.03387	2.1
245.04295	100.0
245.23717	1.8
246.04575	1.8
267.23334	54.6
267.26175	3.7
268.23694	6.8
336.13657	1.8
339.49591	1.7
403.32178	1.8
421.32996	2.4
495.27332	31.2
495.35339	1.9
495.37292	1.6
496.27734	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	495.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48422	0.7
55.01770	3.8
57.03321	3.6
58.00485	4.5
59.01255	99.7
60.01575	1.6
61.09009	0.6
66.66415	0.7
69.03336	1.4
70.69699	1.5
71.01260	100.0
71.04910	0.8
72.01604	1.3
72.99182	6.2
73.02824	12.6
75.00748	0.9
78.95796	3.8
79.76435	0.6
79.89326	0.5
83.01270	6.6
83.04877	0.8
85.02831	29.6
87.00763	4.8
87.23182	0.6
89.02325	71.5
90.02663	1.3
93.22545	0.7
95.01268	7.8
97.02846	1.5
97.06476	9.9
97.83240	0.6
98.20508	0.8
99.00774	5.8
101.02331	53.7
102.02670	0.7
107.04949	0.8
109.06514	0.8
110.98438	2.3
113.02339	40.5
119.03395	29.3
119.04814	1.2
120.03750	1.0
121.06503	1.3
123.04453	0.8
123.08068	1.5
125.02364	1.6
125.05987	1.8
129.09143	2.0
131.03432	2.7
131.04961	6.0
132.05705	3.4
133.06502	20.3
133.07449	1.3
135.08084	6.1
137.09634	0.9
141.09157	1.4
143.03433	5.8
149.04472	2.0
149.06058	0.8
151.07576	2.0
152.99506	1.7
155.10716	1.4
159.02905	3.7
161.04474	19.3
161.09773	0.8
164.04736	0.9
167.01093	1.1
167.03476	1.2
171.10179	5.8
179.05551	8.5
183.10287	0.7
183.42924	0.6
185.02202	1.9
185.11754	4.4
197.11801	4.0
209.11897	1.7
211.13426	2.9
229.14308	1.4
231.01610	0.7
267.17697	1.8
269.19302	3.2
279.17786	0.8
284.03583	0.7
285.18805	1.8
285.58530	0.6
287.20239	1.3
291.19824	1.7
292.20096	0.8
297.18594	3.3
309.20633	3.3
312.54398	0.8
313.18118	1.1
315.19693	16.7
316.20139	1.4
327.21762	20.9
327.25275	1.2
328.22311	2.5
333.20721	17.5
334.21286	2.1
435.24106	0.8
453.25061	0.9
477.24924	20.9
478.25189	3.0
495.25674	31.1
496.26172	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	495.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
57.03331	0.9
58.00470	1.1
59.01253	100.0
60.01592	0.9
65.16360	0.3
69.03351	0.6
71.01256	24.9
72.01580	0.5
72.99196	1.1
73.02823	14.6
75.00764	0.4
78.12132	0.3
78.95776	0.5
83.01258	4.7
85.02830	5.9
87.00765	1.0
89.02322	15.2
93.14088	0.4
95.01287	1.6
97.02863	0.6
97.06499	0.6
99.00770	1.0
99.04364	0.3
101.02330	16.5
113.02336	16.2
113.03149	0.4
114.02657	0.5
119.03397	6.3
119.58646	0.4
125.02339	1.0
131.03403	2.0
133.06506	0.7
135.08060	1.9
136.05196	2.4
143.03438	2.7
149.04483	1.2
151.07574	8.6
152.08348	11.2
161.04480	3.9
165.09151	0.7
175.04021	0.5
179.05560	2.8
189.12848	0.9
191.10493	0.4
203.10822	1.3
209.11871	0.5
210.11781	0.3
211.13318	0.8
217.12271	1.2
218.13133	0.6
229.67607	0.4
236.54509	0.4
271.02481	0.5
273.18680	1.0
291.19769	1.4
297.18652	1.0
310.35544	0.4
315.19699	1.6
327.22159	0.6
333.20908	0.8
352.20538	0.4
375.22122	0.5
417.22681	0.6
435.14664	0.4
435.23877	8.1
436.24338	1.2
453.24976	5.0
454.25461	0.6
477.24820	0.5
495.26028	5.0
496.27167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	10.6
58.00474	2.5
59.01259	24.9
59.28527	1.6
61.98714	3.0
69.03336	20.2
71.01263	30.2
71.04896	3.8
71.58136	1.5
71.58541	2.7
72.13613	1.7
72.99207	2.5
73.02838	12.3
78.95788	10.5
81.03325	4.2
83.01264	2.5
83.04890	2.8
85.02832	13.9
89.02316	6.0
96.95901	1.6
97.06373	1.5
99.00768	3.5
99.04398	3.7
101.02319	6.2
103.03906	2.4
108.02041	2.1
109.02846	2.1
109.06462	2.3
111.07996	3.0
113.05939	3.7
121.10128	25.0
123.08088	2.5
126.03029	1.6
127.03912	2.0
127.07521	6.0
137.05977	3.1
139.11200	42.7
140.11533	1.5
145.04979	2.4
152.99493	5.5
155.07088	3.4
165.07906	1.9
165.09143	16.6
165.12801	3.1
167.10641	5.5
171.10214	2.5
183.10214	100.0
183.13786	19.4
184.10490	6.1
184.14249	1.7
197.11736	4.2
209.11836	10.7
211.13365	27.5
225.11275	7.0
227.12936	3.6
249.14865	2.3
266.96738	1.7
283.79611	1.8
291.19714	1.9
301.16660	1.8
309.20984	1.8
311.15051	42.1
312.15436	3.2
329.16086	37.4
330.16306	4.1
416.84167	1.7
495.25992	55.8
496.26010	7.6
524.32281	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	12.3
58.00458	2.0
59.01259	30.0
61.98711	3.1
65.00201	4.1
69.03335	19.2
69.49734	11.1
69.50139	3.8
71.01259	34.6
71.04900	5.2
72.99192	2.8
73.02833	10.0
78.95782	18.8
81.03349	3.2
82.64050	1.7
83.01280	5.6
83.04925	3.7
85.02836	33.5
85.03294	3.4
87.00761	2.3
89.02335	5.1
97.06506	2.2
99.00785	4.4
99.04417	2.8
101.02336	9.5
103.03918	4.4
107.01316	3.3
108.02067	2.6
109.02865	2.8
109.06454	2.2
110.98420	11.0
111.08085	4.3
113.05991	6.0
119.03440	2.8
121.10131	16.0
123.08047	1.9
125.02375	2.9
127.03846	3.4
127.07548	3.2
127.11207	1.8
134.03619	3.2
135.04431	13.3
136.01622	2.5
137.09653	5.5
138.68802	1.7
139.11203	41.6
142.78668	1.8
145.04994	3.7
151.00307	14.7
152.99544	7.6
161.02348	2.3
164.01089	4.7
165.09142	13.4
167.01118	6.1
167.10675	5.2
171.10207	44.6
172.10631	2.9
175.04025	2.2
183.10207	100.0
183.13748	4.8
184.10548	5.3
185.02222	7.4
193.12346	2.1
196.00111	3.3
197.11899	2.3
199.03984	8.8
201.01993	2.5
201.11345	2.9
209.11786	10.1
211.13344	33.2
221.12015	2.1
225.11330	4.1
229.14369	11.9
245.54013	2.2
257.04636	3.7
285.04135	26.0
286.04681	7.0
291.19910	2.7
311.15015	42.8
312.15503	5.3
327.21796	88.2
328.22263	7.7
329.16046	44.3
330.16586	3.5
465.12302	4.5
495.12653	5.5
495.25320	99.2
496.26337	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	495.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29088	0.4
55.01754	1.8
57.03324	5.8
58.00478	0.5
59.00945	0.9
59.01252	13.7
61.98719	0.6
65.07558	0.5
67.01770	0.6
69.03327	1.2
71.01259	25.1
72.99181	4.5
73.02828	4.2
75.00750	28.5
78.95788	3.3
81.03340	0.5
83.01261	3.1
84.02045	0.8
85.02831	33.8
85.99954	0.6
86.03181	0.8
87.00755	7.6
89.02307	2.6
95.01261	3.4
95.24229	0.6
97.02840	0.9
97.06447	0.6
99.00758	10.4
101.02329	7.2
102.04037	0.5
103.00239	0.8
105.68742	0.4
110.98406	1.5
111.00777	1.1
112.01532	1.3
113.02341	29.2
114.02689	0.6
115.00255	2.6
117.01818	1.7
129.01785	1.4
138.96716	0.5
157.01350	0.7
159.02907	0.5
161.04445	1.0
167.00963	0.7
171.10178	5.6
175.02422	4.3
183.13914	1.0
185.02200	0.9
185.11751	0.9
197.11641	0.7
209.11755	2.1
210.12036	0.5
211.13364	5.1
221.11707	0.6
229.14412	1.4
291.19617	0.8
310.10663	0.6
315.19516	0.8
319.21213	1.8
327.21783	10.4
328.22128	1.3
377.21643	0.5
435.22647	0.8
448.75006	0.5
477.23248	1.1
495.24435	100.0
496.24808	15.1
496.32251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	8.3
58.00451	3.4
59.01254	71.0
61.98690	4.5
69.03335	1.1
71.01256	61.4
71.11041	2.3
72.99185	8.4
73.02816	6.6
75.00746	26.4
78.95776	13.1
83.01257	5.6
85.02826	45.9
87.00747	8.7
89.02323	33.3
93.03294	1.1
95.01232	6.0
96.96838	1.1
97.02836	2.0
97.06474	1.7
98.95359	1.0
99.00759	10.9
101.01698	1.8
101.02331	25.0
110.98412	1.5
111.00800	1.2
112.01513	1.4
113.02335	46.9
115.00241	2.7
117.01824	1.0
119.03396	15.7
119.04872	1.4
125.02345	1.9
125.09534	1.0
129.01857	1.0
131.03383	1.2
135.04410	3.2
137.09557	1.0
143.03372	3.1
149.04463	1.1
152.08321	1.4
152.99492	15.2
161.04448	4.5
163.03955	1.2
171.10201	6.7
175.02403	3.3
179.05531	4.4
185.02148	2.2
203.10725	1.1
209.11752	2.6
211.13327	4.5
229.14377	1.4
285.18808	1.1
291.19601	1.9
315.19537	1.4
319.21219	1.2
327.21869	12.4
328.22183	1.2
333.20709	3.8
377.14221	1.2
408.17261	1.0
435.23587	5.9
453.24908	3.0
495.24463	100.0
496.24869	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	495.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84054	1.3
57.03319	6.3
59.01254	34.5
61.98711	2.9
68.99672	1.4
69.03290	1.8
70.81390	3.0
70.81732	2.3
71.01257	29.7
72.99182	5.3
73.02842	7.1
74.09291	1.5
75.00359	1.9
75.00752	21.7
78.95786	18.1
83.01255	5.1
85.02344	3.0
85.02827	36.3
87.00755	8.5
89.02306	7.6
95.01254	4.3
97.06461	1.9
99.00742	9.5
101.02327	12.1
103.65218	1.5
110.98414	4.6
111.04402	2.2
113.02337	29.1
119.03378	2.1
119.04933	4.7
125.02294	2.1
125.07265	1.3
127.11163	2.2
135.04446	3.6
143.14995	1.2
152.01047	2.3
152.99506	19.7
161.04468	3.1
163.03946	3.1
165.05406	1.6
167.01088	3.0
167.03442	12.7
171.10184	11.9
173.04579	1.5
175.02417	3.5
183.13771	1.9
185.02158	2.7
190.43697	1.4
197.11691	2.1
209.11870	3.6
211.13408	6.8
229.14360	2.7
259.84647	1.4
291.19577	2.6
299.05591	1.6
315.19553	1.8
319.21365	3.4
327.21793	31.2
328.22095	2.7
435.23636	1.7
440.03049	1.5
453.24881	2.7
495.24411	100.0
496.24692	12.9
507.39877	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35078	4.2
54.86718	3.5
57.03326	9.8
59.01252	46.3
68.99699	4.0
69.03324	6.0
69.49030	10.0
69.49447	21.2
71.01259	79.3
72.99184	56.7
73.02825	18.2
75.00748	61.2
83.01249	11.5
85.02828	100.0
86.81300	3.1
87.00753	24.9
89.02312	22.7
93.03364	7.9
95.01282	16.7
97.02827	8.2
98.31474	3.2
99.00768	20.5
101.02337	18.5
103.00240	18.0
108.02042	5.2
111.04406	7.8
113.02340	97.5
115.00253	8.0
117.01850	7.1
121.02847	23.2
129.01830	10.1
131.03406	9.4
133.01329	7.0
139.03940	16.8
157.01303	3.8
175.02431	20.7
193.03481	96.0
222.23679	3.5
235.04559	70.2
236.04997	4.2
246.01024	4.0
337.07758	15.0
355.08887	12.0
445.13632	21.7
463.27283	4.1
495.13486	32.1
497.38559	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	495.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27215	1.0
55.01752	3.2
56.63593	1.1
57.03313	4.7
58.00462	3.8
59.01253	66.0
60.01567	1.3
61.98701	2.6
69.03333	2.8
69.69947	1.2
71.01257	69.2
71.04892	2.0
71.58110	1.5
72.99171	4.7
73.02824	13.2
75.00737	2.4
78.95781	19.9
83.01262	4.8
85.02829	22.3
87.00742	4.1
89.02321	47.4
95.01247	3.8
96.95818	1.7
97.02798	2.3
97.06467	8.1
99.00732	3.0
101.01714	2.5
101.02331	36.6
110.98421	11.8
113.02335	27.0
119.03388	16.7
123.08037	2.8
125.02293	1.4
125.09618	2.9
127.07529	3.2
127.11143	1.9
129.09108	13.1
131.03362	1.7
131.04904	2.6
132.05727	1.8
133.06505	10.6
135.07997	4.7
141.09117	7.8
143.03363	4.9
149.04503	1.9
150.06624	1.4
152.99472	5.0
155.10678	10.6
159.02876	2.3
161.04468	12.2
163.11192	1.1
165.12749	2.5
167.01030	5.5
167.10614	2.6
171.10199	21.5
172.10468	1.5
179.05508	5.2
183.13820	1.9
185.02150	14.7
185.10225	2.1
185.11766	34.9
186.12033	1.6
193.05019	1.5
197.11789	37.3
198.12094	2.4
201.11182	1.4
209.11786	10.8
211.13339	9.8
223.13585	1.2
227.12863	2.2
229.14409	3.0
284.03159	1.8
287.19968	1.6
291.19666	12.8
297.18723	2.6
309.20734	26.5
310.20938	1.9
315.19580	8.9
316.19818	1.2
327.21777	100.0
328.22119	7.0
333.20688	10.5
389.03461	1.3
435.23599	2.2
477.24915	12.4
478.25259	1.4
495.23871	59.4
496.24457	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	495.1145
Annotation	tarocin A1
Peak:m/z	Relative Intensity
59.01253	7.2
65.00204	1.5
69.03333	1.2
69.44299	3.9
69.44725	6.8
71.01254	10.7
72.99191	1.8
75.00737	3.6
79.01749	1.0
81.03335	2.6
83.01263	4.1
85.02827	6.4
87.00755	2.7
89.02313	2.3
93.03339	1.3
95.01257	4.5
97.02845	2.2
98.26292	1.1
99.00745	3.2
99.03608	1.1
101.02335	5.4
107.01275	5.7
108.02055	99.9
109.02850	42.7
111.00757	3.9
112.98697	1.8
113.02354	6.4
121.02843	4.6
123.00774	11.8
124.01585	1.8
125.02342	2.9
127.00275	3.6
135.00774	3.2
136.98698	2.1
137.02345	6.4
139.00259	5.3
139.03943	5.6
151.03941	1.7
152.01060	95.6
153.01855	36.7
153.05447	5.8
154.02513	1.5
155.03462	1.2
161.04422	1.7
165.01875	1.9
166.99760	3.7
168.00513	4.0
169.01379	1.2
181.01344	2.4
182.02138	7.9
183.02902	22.4
184.03168	1.2
197.04518	10.7
212.73164	1.2
217.10680	1.3
225.04039	2.4
249.06110	1.8
267.07251	2.8
296.05597	1.2
311.07681	1.4
312.04849	1.7
314.24890	1.3
315.07166	5.4
315.18155	3.3
326.06201	1.2
327.07251	17.0
336.52451	1.3
341.08786	5.2
345.77417	1.2
451.12457	7.5
463.08972	6.7
480.08856	1.8
495.11453	100.0
495.19806	5.1
496.11923	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	495.0781
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
55.87269	1.8
57.03275	1.5
59.01237	6.8
61.87645	1.4
63.71774	1.5
64.02588	1.5
65.00201	5.6
68.99683	2.1
69.03325	1.8
71.01243	5.6
75.00762	2.2
83.01228	2.7
85.02823	4.0
89.02306	3.0
92.90636	1.7
95.01268	5.7
101.02275	1.6
105.58681	1.6
106.00483	3.1
107.01247	6.5
108.02058	2.7
109.02816	11.5
111.00738	7.5
113.02348	2.3
116.18193	1.8
119.04940	1.9
121.02830	1.7
123.00771	8.8
123.04452	2.2
124.01513	3.0
124.98713	3.0
125.02331	4.4
133.02837	3.5
135.00755	3.9
136.98685	2.4
137.02361	3.3
139.00253	7.1
141.01805	3.2
143.04866	2.1
145.02975	1.7
147.04411	1.9
148.23485	1.7
149.02306	5.9
149.99527	7.8
151.00279	19.6
152.00980	4.1
153.01855	8.3
154.99741	3.3
159.04390	4.4
161.02348	5.8
161.04489	2.6
163.00305	2.5
165.01862	1.8
166.99744	6.2
168.00481	5.5
169.01338	3.0
171.04485	5.1
173.02315	3.0
175.00252	2.0
175.03917	10.1
177.01826	2.3
177.98979	10.4
178.99783	26.0
180.00302	3.0
187.03949	11.2
189.01791	3.9
191.03214	3.9
192.00591	2.4
193.01361	2.2
194.99249	2.7
199.03912	6.4
201.01840	4.5
203.03383	9.7
204.97665	2.3
205.01312	1.7
206.99249	3.5
209.00829	3.4
213.01959	2.0
214.02524	2.2
215.03448	10.1
216.04123	1.8
217.01233	3.2
219.02898	4.3
222.98891	1.9
227.03432	2.4
229.01405	3.4
231.02934	6.5
232.03706	12.9
233.00764	2.9
233.04482	9.2
241.01390	2.3
242.02133	2.9
243.02936	13.8
244.03349	2.2
245.04530	3.1
258.01636	3.4
259.02365	8.6
260.03085	2.7
261.03900	3.0
271.02484	27.5
286.00928	3.2
287.01981	42.1
288.02707	11.8
289.03458	7.3
297.00381	5.0
299.01978	11.2
300.02386	2.1
303.01566	3.6
315.01453	100.0
316.01886	7.6
317.03098	1.8
332.01733	17.0
333.02469	15.8
343.06708	2.9
355.06796	3.2
359.06085	6.0
380.58215	1.6
395.09955	12.2
396.57751	1.9
423.09280	3.7
451.08786	4.6
467.08292	3.9
477.06641	7.4
495.07764	71.2
495.19730	3.1
496.08316	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	494.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58891	0.7
58.88186	0.7
59.01248	3.1
61.07707	0.7
61.98704	100.0
62.16774	0.7
62.35276	0.6
68.53545	0.6
70.05743	2.2
73.50785	0.7
85.02847	0.8
105.92752	0.7
107.32491	0.7
111.29057	0.8
112.98789	0.8
151.00374	0.7
174.01640	2.7
175.02524	0.8
178.99852	2.0
193.66037	0.8
211.13416	0.8
227.03418	6.4
255.02951	8.6
256.03781	1.3
284.03275	6.8
285.04037	9.6
316.02209	1.3
317.02795	2.3
331.04706	2.5
332.04889	4.6
431.09796	19.6
432.10202	1.5
469.03976	1.1
494.10672	2.8
495.10800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80373	2.0
57.03324	2.1
59.01256	30.3
63.03333	1.9
65.00200	6.0
68.99665	2.3
69.91063	11.8
71.01258	11.4
72.99184	8.3
73.44336	1.9
75.00753	8.3
83.01269	5.8
85.02824	8.7
87.00756	4.1
93.03322	2.7
94.18784	2.1
95.01269	8.9
97.02832	3.5
99.00761	15.3
103.50933	2.0
107.01274	7.7
109.02833	17.4
109.99993	3.3
110.10439	2.0
111.00768	12.6
111.62959	2.1
113.02322	9.1
121.02862	8.0
123.00777	10.1
125.02340	9.2
127.00217	4.9
133.02829	4.5
134.62405	2.0
135.00784	4.2
135.04495	3.6
136.98711	2.4
137.02335	8.5
137.99521	2.4
139.00278	20.5
141.01836	2.9
143.04962	3.8
147.00784	2.5
147.04433	6.5
148.01579	5.8
149.02361	5.7
149.99551	2.4
151.00288	28.2
152.01019	3.2
153.01837	5.7
154.99770	19.3
159.04405	5.3
161.02370	6.0
161.06039	2.1
163.00305	5.8
163.03983	2.2
164.00980	2.4
164.98280	3.3
165.01834	7.2
165.98993	3.0
166.99785	20.1
168.00446	3.0
169.01303	5.5
171.04408	6.3
173.02393	2.7
175.00404	2.3
175.02425	2.3
175.03900	5.9
177.01869	12.4
178.99774	18.0
181.01347	9.4
183.13834	17.1
184.00049	9.2
185.11768	34.7
187.03868	10.2
189.01918	6.5
190.99770	3.3
191.03433	4.2
192.00481	2.0
193.01384	9.5
193.98480	2.5
194.99303	18.5
197.00819	2.6
199.03957	3.3
201.01807	5.1
203.03421	11.2
205.01347	7.5
205.04970	3.5
206.99319	2.2
209.00778	2.4
213.01912	6.0
215.03436	9.9
217.01395	4.6
218.02219	2.6
219.02963	6.5
219.91881	2.4
227.12793	3.7
229.01349	4.2
230.02147	3.9
231.02989	15.5
232.03755	2.1
233.00914	4.2
233.04552	7.7
241.01405	4.1
243.02989	19.6
245.00864	3.6
245.13924	5.4
247.02493	4.8
248.03143	3.1
249.03931	4.2
249.06142	4.9
257.01083	4.2
258.01785	2.5
259.02472	28.2
261.04028	10.2
269.00940	4.3
271.02496	2.6
273.32132	2.3
274.01233	2.8
275.02017	13.3
276.02692	2.6
277.03546	9.2
285.00592	4.5
285.03970	2.2
287.01987	46.7
288.02530	3.4
301.03519	7.8
303.01389	10.8
304.02405	4.1
305.03073	17.1
312.99905	4.4
315.01385	10.2
319.17712	3.7
330.00021	2.0
331.01010	27.1
339.07077	5.0
341.08926	4.4
349.01904	8.0
349.05649	3.1
353.05136	2.4
355.06830	5.3
359.06229	25.5
421.07669	8.8
423.09634	3.7
435.18362	2.7
447.09375	2.3
451.08865	4.9
462.08078	4.2
465.10391	3.0
477.06943	7.6
477.19800	4.3
495.07642	28.1
495.20813	100.0
496.08530	2.2
496.20810	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	493.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
56.49858	0.3
57.03316	1.3
58.00475	0.6
59.01254	15.8
60.01594	0.3
61.98697	0.8
71.01256	12.4
71.04885	0.9
71.58495	0.4
72.99175	1.4
73.02821	2.0
75.00732	0.9
75.33351	0.3
78.95779	0.8
83.01265	1.9
85.02825	4.7
87.00741	1.1
89.02321	5.6
95.01273	0.7
97.06503	0.4
99.00755	1.0
101.02328	8.0
109.02846	0.4
109.06480	0.5
110.98389	0.4
111.04391	0.4
113.02344	3.2
119.03406	1.9
119.04915	1.3
120.05266	0.7
123.08059	0.3
124.01618	0.3
125.02346	0.3
125.09620	0.7
127.11186	1.8
133.02861	0.4
134.03607	1.2
137.02377	0.3
137.09598	0.4
149.05931	0.4
155.10687	1.1
157.12250	0.6
161.02435	0.4
161.04543	0.3
163.03920	0.6
164.04231	0.5
169.80656	0.3
171.10181	3.6
175.03938	0.3
181.08644	1.4
185.02171	0.5
185.11743	0.4
193.04985	1.3
197.11780	0.5
209.11792	2.1
210.12183	0.4
211.13329	0.9
227.12938	0.4
237.18478	0.6
247.13342	0.4
277.21719	0.5
293.09155	0.3
295.22726	1.9
307.19131	1.7
311.22266	0.7
313.23849	10.6
314.24173	1.2
320.66864	0.3
325.20261	2.7
329.23349	2.7
331.24893	27.1
332.25259	2.3
353.46310	0.3
401.23349	0.4
475.28812	1.2
493.06982	1.4
493.30167	100.0
494.19302	0.4
494.23914	0.4
494.30521	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
56.49858	0.3
57.03316	1.3
58.00475	0.6
59.01254	15.8
60.01594	0.3
61.98697	0.8
71.01256	12.4
71.04885	0.9
71.58495	0.4
72.99175	1.4
73.02821	2.0
75.00732	0.9
75.33351	0.3
78.95779	0.8
83.01265	1.9
85.02825	4.7
87.00741	1.1
89.02321	5.6
95.01273	0.7
97.06503	0.4
99.00755	1.0
101.02328	8.0
109.02846	0.4
109.06480	0.5
110.98389	0.4
111.04391	0.4
113.02344	3.2
119.03406	1.9
119.04915	1.3
120.05266	0.7
123.08059	0.3
124.01618	0.3
125.02346	0.3
125.09620	0.7
127.11186	1.8
133.02861	0.4
134.03607	1.2
137.02377	0.3
137.09598	0.4
149.05931	0.4
155.10687	1.1
157.12250	0.6
161.02435	0.4
161.04543	0.3
163.03920	0.6
164.04231	0.5
169.80656	0.3
171.10181	3.6
175.03938	0.3
181.08644	1.4
185.02171	0.5
185.11743	0.4
193.04985	1.3
197.11780	0.5
209.11792	2.1
210.12183	0.4
211.13329	0.9
227.12938	0.4
237.18478	0.6
247.13342	0.4
277.21719	0.5
293.09155	0.3
295.22726	1.9
307.19131	1.7
311.22266	0.7
313.23849	10.6
314.24173	1.2
320.66864	0.3
325.20261	2.7
329.23349	2.7
331.24893	27.1
332.25259	2.3
353.46310	0.3
401.23349	0.4
475.28812	1.2
493.06982	1.4
493.30167	100.0
494.19302	0.4
494.23914	0.4
494.30521	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06823	0.6
55.01749	1.0
57.03315	1.8
57.41134	0.5
58.00467	0.8
59.01252	28.5
60.58120	0.5
61.98695	1.7
66.49777	0.6
67.66106	0.5
69.03306	0.7
69.40697	5.4
71.01254	15.6
72.99178	1.9
73.02823	3.0
75.00745	3.8
77.58453	0.5
78.95771	1.3
83.01275	3.0
83.03176	0.5
85.02822	9.3
86.48809	0.5
87.00757	2.3
89.02315	5.3
95.01269	1.5
99.00742	2.5
101.02320	8.2
108.02029	0.7
109.81443	0.6
111.00786	0.8
111.04398	1.2
113.01601	0.9
113.02332	7.5
119.03380	1.7
119.04871	0.6
125.02311	0.8
125.09641	0.9
127.11190	0.7
128.03477	0.6
129.01808	0.6
134.03629	0.9
155.10713	0.9
157.12190	0.9
161.02399	1.3
161.04492	1.4
163.03928	0.7
171.10165	3.7
175.02422	0.8
181.08656	0.9
183.13786	0.8
185.11877	0.6
195.10132	0.8
209.11760	1.1
211.13370	6.6
249.06178	1.6
268.03525	0.6
269.04538	1.7
283.05969	0.9
284.03186	0.8
295.22763	1.6
313.23862	8.0
314.23993	0.7
325.20105	1.4
326.20178	0.6
328.97586	0.6
329.23282	2.4
331.24893	25.5
332.25101	1.9
399.26483	0.6
433.28113	1.0
445.14072	0.7
447.22232	1.7
450.20395	0.7
461.20404	3.5
475.28635	1.0
493.22983	10.5
493.30130	100.0
494.23120	1.3
494.30392	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01561	1.4
55.01755	14.4
57.03309	3.1
58.00453	4.3
59.01250	77.5
65.57314	1.4
68.99715	1.7
71.01251	39.4
72.99184	9.5
73.02839	8.9
75.00742	18.5
81.03313	2.6
81.19087	1.4
83.01261	4.2
85.02817	32.5
86.03188	1.7
86.18656	1.5
87.00737	7.6
89.02314	22.4
93.03327	3.6
93.49097	1.7
95.01290	3.3
99.00755	5.1
99.04431	1.7
101.02330	20.0
103.03880	8.2
109.02805	2.8
113.02329	14.0
119.03400	5.1
119.07746	3.0
119.08547	39.6
127.03974	1.7
129.01805	4.3
134.58681	1.6
137.02374	2.1
147.02882	19.0
155.03488	2.1
161.04456	2.0
163.07549	19.8
165.03979	3.6
173.04453	6.3
183.10175	2.3
191.05533	3.1
229.67291	1.8
233.06706	10.8
242.29788	1.7
249.06140	2.1
259.07196	3.8
267.07214	6.8
277.08273	3.5
315.14484	4.5
327.14465	43.1
328.14886	3.9
345.15536	79.8
346.15863	7.8
454.60306	2.0
475.17859	3.6
493.19263	100.0
494.19760	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	493.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.3
65.50404	0.5
69.48458	3.1
69.48869	1.2
71.01250	1.8
78.95776	35.0
80.12788	0.6
80.96220	0.6
83.04910	0.9
85.02834	0.8
86.55665	0.6
87.37363	0.6
92.18136	0.6
92.51582	0.6
96.96828	1.7
97.06465	1.3
99.98692	0.5
101.02290	0.8
109.06487	0.8
110.98418	7.9
113.02232	0.7
121.02843	3.5
122.03615	3.7
125.09644	1.4
136.05185	2.0
152.99467	3.9
153.99870	0.6
164.08337	1.1
165.12762	1.4
167.01009	2.8
167.14342	4.9
168.04185	1.1
171.00536	3.0
171.10133	3.3
185.02126	8.5
185.11833	0.9
193.15836	3.5
205.12291	0.8
207.10097	0.8
207.17503	2.7
209.11803	5.9
211.13304	2.2
221.15344	0.9
225.11311	1.0
231.17508	2.4
233.11852	0.7
233.15468	1.3
247.13431	1.5
249.14694	1.4
249.18575	35.2
250.18932	2.3
265.18164	0.9
275.16513	21.4
276.16953	2.6
281.21161	4.9
282.21545	1.0
293.17599	72.1
294.17938	5.9
307.16196	0.7
307.19089	3.7
313.18283	1.1
325.20197	100.0
326.20535	10.5
331.19061	1.3
383.22177	1.4
395.85764	0.7
401.23251	2.6
419.24460	2.2
433.28366	0.6
475.27106	4.3
492.27164	2.2
493.21957	15.5
493.27844	12.4
494.22299	2.2
494.28183	1.5
516.01691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57314	3.1
54.63617	2.9
57.03328	8.7
58.00453	3.2
59.01254	79.0
63.78227	2.8
63.86780	2.9
68.99673	4.5
69.03327	6.2
69.27143	2.9
71.01254	77.8
71.57564	5.3
71.58003	3.5
72.99177	20.0
73.02827	10.4
75.00751	35.3
83.01256	9.4
85.02825	66.9
87.00758	20.7
89.02322	34.2
93.03333	3.3
95.01271	11.6
99.00772	18.8
101.02310	15.5
103.00280	4.7
103.03894	4.1
105.03362	4.0
108.02048	4.5
109.02908	4.9
111.00750	4.2
113.02335	64.4
119.03364	8.6
119.08546	15.8
121.02841	8.4
123.00754	10.1
123.04420	9.8
123.16882	3.1
124.01549	4.4
129.01862	6.7
131.03398	7.6
134.03630	3.9
137.02367	8.0
139.03871	8.2
147.02895	11.5
149.02357	10.8
151.03893	5.3
153.05461	6.3
163.03925	7.4
163.07524	8.5
165.01881	4.7
166.02684	7.5
167.03352	4.7
175.02365	4.1
175.03870	4.8
181.05008	11.5
192.00587	13.2
193.01295	10.3
193.04953	4.8
207.02907	6.8
225.04019	5.0
238.69138	3.3
241.10786	6.2
249.06131	29.6
267.04349	6.3
267.07220	100.0
268.07571	5.2
315.14392	5.4
327.14487	9.6
327.76556	3.2
345.15555	21.2
443.12250	4.5
475.11938	4.9
475.17899	20.1
493.12607	4.2
493.19150	80.5
494.19669	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	493.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.7
59.99502	0.6
61.98719	0.9
63.02261	0.7
65.00209	1.2
71.57494	0.8
75.00747	4.0
75.63522	0.6
78.95754	0.7
83.01271	1.6
85.02845	0.9
88.28032	0.5
98.37590	0.6
107.01258	3.2
109.02892	0.9
111.04391	1.2
113.02346	0.6
119.78387	0.6
121.02822	0.7
125.02357	0.8
133.02855	14.1
143.04915	0.8
149.02394	2.7
151.00298	9.0
163.07368	0.6
171.10211	1.7
175.03922	4.5
181.08635	1.1
183.04472	1.2
185.02313	1.0
197.11823	0.8
199.03938	4.1
201.01889	1.2
203.45691	0.6
207.10341	0.9
209.11807	2.6
209.24850	0.6
211.13356	1.2
215.03340	0.8
217.05031	1.7
227.03473	2.1
227.12563	0.7
241.04984	1.4
243.02945	1.1
255.00308	1.1
255.02991	22.6
256.03757	27.4
257.04227	2.8
281.04651	1.1
283.02493	39.4
284.03262	74.4
285.04028	100.0
286.04398	7.0
298.04745	0.9
325.20251	0.8
326.04391	1.7
331.19113	1.5
475.10007	1.0
475.27271	0.9
493.11459	9.7
493.22110	1.1
493.28436	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	492.2733
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
53.96774	0.3
59.01218	0.3
60.37241	0.3
61.54235	0.3
62.96275	0.3
69.86033	1.1
69.86454	0.5
71.01238	0.3
71.92886	0.3
78.95779	100.0
96.96845	7.4
125.09645	0.3
126.66333	0.3
128.38013	0.3
140.01117	0.6
152.99506	16.6
153.99831	0.3
171.00562	17.3
171.10194	1.0
211.13332	0.5
214.04776	0.4
247.13416	0.6
257.17435	0.5
293.21030	0.8
294.21616	0.8
299.90451	0.3
323.22333	0.4
324.22653	1.2
404.74683	0.3
418.18661	0.3
418.23547	1.7
492.27347	53.3
493.27698	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	492.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
59.01237	1.8
62.07169	0.4
67.54459	0.4
70.58785	1.4
78.95782	37.2
96.96877	2.5
113.09607	2.4
122.98572	0.5
140.01108	3.4
152.99501	6.6
163.66814	0.4
171.00583	6.0
171.39944	0.4
177.12640	0.6
179.14340	1.3
181.12289	0.5
195.13843	15.6
196.03726	1.2
196.14282	1.0
214.04834	4.8
225.59596	0.4
244.51704	0.5
277.21738	14.4
278.22144	1.3
295.22794	100.0
296.23135	11.2
312.79245	0.5
404.82678	0.5
473.58429	0.5
492.27368	35.8
493.27719	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	492.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04766	0.4
57.03314	1.1
59.01271	2.1
62.96281	0.6
71.58239	0.8
71.58617	0.5
78.95782	38.7
83.04902	0.7
96.96812	1.0
97.06503	0.9
113.09626	2.2
114.09959	0.5
116.68502	0.4
122.00036	1.7
140.01093	9.7
152.99524	3.2
157.83760	0.5
166.02687	0.7
171.00572	1.7
171.10208	1.8
177.12639	0.6
179.14328	1.2
181.98721	0.5
186.40491	0.4
195.13847	19.0
196.03743	15.8
196.14259	1.4
207.10216	0.5
209.11815	1.1
211.13405	0.5
214.04848	4.1
220.11005	0.5
259.20721	0.5
277.21729	18.3
278.22028	1.2
287.20029	0.9
293.21085	0.7
294.21442	0.8
295.22794	100.0
296.23141	9.4
311.22357	0.6
331.19226	0.8
401.23508	1.3
419.23965	0.5
460.93317	0.5
490.09924	0.5
492.27304	57.3
493.27649	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	493.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.6
61.70790	0.6
67.80711	0.7
74.59389	0.6
78.95787	2.3
80.36958	0.6
81.19167	0.6
83.01284	0.7
83.04905	0.7
92.07842	0.6
106.92976	0.5
107.01276	1.6
108.41956	0.6
125.09603	1.1
145.02872	1.5
146.03613	1.9
148.07466	0.6
151.00284	5.7
152.99512	0.7
158.03580	0.9
161.02272	0.7
164.04660	1.0
171.10153	3.7
178.99846	0.8
179.07008	1.0
183.04405	2.1
185.02219	1.3
186.03210	1.4
189.01949	0.8
192.00656	0.7
198.03065	0.8
199.03935	5.0
203.87717	0.6
209.11751	4.0
211.13440	0.8
214.02666	3.1
215.03433	2.0
225.11177	0.8
226.02643	1.0
227.03491	4.4
231.13875	2.1
233.11748	0.6
236.96446	0.7
241.01390	16.8
242.02177	10.6
243.02982	10.6
245.00862	11.0
247.13387	1.6
249.18533	1.6
254.02231	1.3
255.02983	9.6
256.03387	1.8
257.04456	0.8
265.14386	1.0
270.01691	37.3
271.02451	21.6
272.02844	1.4
273.00543	0.9
275.16626	0.9
282.01733	4.6
283.02328	1.0
285.04065	12.5
286.04282	1.3
287.20203	1.9
293.17508	3.0
298.01157	10.2
299.01971	51.5
300.02701	22.5
301.03500	3.1
304.67123	0.8
313.03552	100.0
314.04227	36.0
315.05075	16.3
316.05524	1.2
325.20300	3.8
331.18689	0.7
383.22177	0.8
391.25067	0.7
401.23236	1.3
419.24423	1.1
448.31381	0.6
463.10040	0.9
475.10373	5.2
475.27191	4.5
493.11365	3.0
493.27997	2.4
519.60364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45458	0.7
59.01244	5.8
61.98697	0.7
63.02283	0.7
65.00192	2.1
69.54703	5.8
78.95791	1.0
83.01263	1.3
85.02827	0.9
97.06487	0.8
101.02312	0.7
107.01277	4.3
117.21881	0.6
121.02836	1.6
125.02326	1.3
125.05910	0.7
132.02087	0.7
133.02849	12.4
135.04393	0.7
138.23730	0.7
147.75897	0.6
149.02333	3.2
151.00273	8.8
167.87973	0.8
171.10214	3.7
175.03900	2.8
181.08647	0.8
183.04292	1.5
196.45778	0.7
199.03973	4.9
201.01874	1.4
209.11768	4.1
211.13374	2.2
213.05457	1.1
217.04988	2.0
225.11395	0.8
227.03452	2.0
241.04964	1.2
243.02974	0.7
247.13440	1.1
255.02979	30.7
256.03717	31.1
257.04202	3.2
283.02493	52.0
284.03250	90.1
285.04016	100.0
286.04355	7.3
326.04291	2.1
327.05078	1.1
378.63718	0.7
401.23517	0.9
463.10376	1.6
475.10559	3.4
475.26593	1.0
493.11603	6.3
493.28070	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	491.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
58.00471	0.3
59.01254	5.2
60.27112	0.2
62.87505	0.2
71.01259	5.0
71.57983	0.3
72.99180	0.3
73.02820	0.7
77.89854	0.2
78.95767	0.3
83.01248	0.5
85.02821	1.2
87.00754	0.6
89.02331	3.4
95.01274	0.4
97.02800	0.2
99.00781	0.3
101.02328	4.9
105.01262	0.2
113.02334	1.9
119.03381	1.2
125.02309	0.2
133.04916	0.3
143.03407	0.4
161.04453	1.8
179.05525	0.6
235.08218	0.9
253.09286	15.0
254.09595	0.9
255.23288	100.0
256.23618	9.0
256.26370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2864
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01749	1.0
55.21214	0.6
57.03320	1.4
58.00451	1.3
59.01251	28.9
61.00239	0.5
69.03323	0.9
69.37366	2.9
69.37795	3.1
71.01253	11.4
72.99185	1.6
73.02827	3.9
73.34656	0.6
75.00747	1.6
83.01270	2.9
83.46159	0.6
85.02822	7.0
85.99972	0.6
87.00733	1.7
89.02315	3.5
93.03337	0.9
95.01282	1.1
99.00745	1.4
101.02323	8.1
109.02824	0.9
111.00761	1.2
113.02345	6.5
114.97437	0.6
119.03409	1.1
119.04955	0.8
125.02334	1.2
125.09592	2.7
127.11159	4.4
130.08640	0.5
133.02858	0.7
134.03656	0.6
143.03394	0.7
151.00259	0.9
153.01865	2.8
155.10675	1.9
161.04475	0.6
163.03882	0.9
165.09044	1.4
166.02608	1.6
171.10147	5.0
173.04446	1.0
178.14297	0.7
181.05025	1.5
187.81985	0.6
193.05109	0.6
199.09644	1.4
201.11256	28.7
202.11537	1.6
211.13356	0.7
233.06580	1.4
242.39488	0.6
242.86804	0.6
257.96262	0.5
287.22107	1.5
293.21301	2.0
299.01886	0.6
301.03323	0.7
311.22250	3.8
329.23334	7.1
334.06985	1.2
358.79959	0.6
366.49258	0.7
431.26517	2.8
449.27621	3.0
455.26288	0.9
455.32700	0.6
473.27490	4.7
491.28568	100.0
492.22153	1.2
492.28903	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	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
59.01252	100.0
61.38149	1.2
63.44260	0.9
64.76056	1.0
69.03336	1.7
69.46711	9.1
71.01256	27.0
71.04909	1.5
72.99184	3.3
73.02817	21.5
75.00736	3.6
76.21221	1.0
83.01257	5.2
85.02829	9.6
85.91115	1.0
87.00756	3.3
89.02316	11.2
97.06464	5.0
99.00762	3.1
99.04371	1.5
101.02332	21.6
103.03893	2.1
108.02084	1.3
109.02837	1.8
113.02355	12.6
114.78402	1.1
119.03389	3.1
121.02891	1.4
121.10113	3.6
123.08040	5.2
125.02303	1.3
131.03468	1.5
135.04491	1.2
141.09178	1.2
143.03415	3.2
145.04984	1.2
145.06502	3.1
149.04465	1.6
151.00279	2.7
155.03302	1.1
155.10689	2.2
161.04457	8.5
163.11264	1.4
173.04456	1.9
179.05560	2.5
181.08669	1.5
181.12334	1.3
193.12219	1.5
203.05606	2.0
211.13278	2.3
221.06610	2.0
233.06654	1.4
249.06036	2.6
251.16537	1.8
255.02992	2.2
263.07852	1.1
267.07336	1.3
269.17545	2.7
271.02548	4.4
287.05527	1.2
299.12912	4.7
300.02756	6.3
301.03674	6.2
329.16107	23.2
330.16345	2.6
368.04416	1.1
431.15427	1.9
431.22882	3.4
432.61105	1.2
447.09360	1.8
449.23862	2.7
491.08179	8.8
491.21072	1.4
492.08362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.9
57.03316	1.5
58.00461	0.4
59.01255	40.9
69.03329	1.4
69.60664	1.5
69.61087	1.7
71.01259	18.8
71.01657	0.8
71.04890	1.3
72.99171	2.3
73.02821	4.0
73.67111	0.4
75.00753	2.0
76.85419	0.4
83.01271	2.6
85.02825	10.0
85.99979	1.1
86.00924	0.4
87.00754	5.4
89.02318	2.2
93.03338	0.8
95.01260	1.6
97.02811	1.3
98.19795	0.7
99.00750	2.7
99.08021	1.5
101.02325	7.6
103.00266	0.5
109.02798	0.5
111.00762	1.3
112.01539	0.8
113.02341	4.5
115.07528	0.4
119.04872	0.5
124.01548	1.4
125.02353	2.7
126.80795	0.4
127.11198	0.7
129.09116	0.9
129.96970	0.4
133.02850	0.6
137.02380	0.7
141.01834	0.4
141.12715	0.7
143.03398	0.7
143.07057	0.6
145.94560	0.5
151.00299	1.2
156.12585	0.4
169.12277	3.2
173.04439	1.1
178.99742	0.6
183.13773	0.4
211.13298	0.8
233.06627	1.6
241.21667	0.6
249.06128	2.1
267.07184	1.7
269.21259	4.2
271.22745	0.6
281.04410	0.9
285.20731	0.9
287.22296	40.6
288.22662	3.5
299.22263	1.5
301.23825	1.3
321.08212	2.1
327.05121	0.6
329.05832	1.0
329.23309	1.3
330.06247	0.5
333.07486	0.5
334.06903	1.7
387.05139	0.5
405.05969	0.9
431.26492	21.0
432.26691	2.4
433.05460	0.6
438.34186	0.4
449.27576	43.4
450.27991	5.3
461.05316	2.0
476.07321	0.7
491.09937	9.0
491.21866	5.8
491.28604	100.0
492.10089	1.9
492.21799	1.0
492.28906	12.9
506.06345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02508	2.8
53.34492	2.9
59.01241	9.0
67.36430	2.9
71.01248	7.9
78.95781	100.0
83.04905	3.4
84.86888	2.8
96.96855	7.4
98.19740	4.8
101.02293	3.9
121.02798	3.6
152.57623	3.3
152.99506	22.3
153.26279	3.3
155.35556	3.1
171.00566	23.0
171.10149	4.2
197.57207	3.0
215.14133	3.4
275.20013	3.3
293.21246	33.8
295.22729	10.6
323.22260	15.4
339.20078	3.9
448.00937	3.5
491.25613	16.4
492.27396	64.9
492.70703	3.8
509.78479	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.2
59.01252	100.0
61.98679	1.7
71.01247	20.4
72.99185	5.8
73.02826	5.1
75.00738	5.9
83.01264	3.6
85.02818	9.6
87.00752	4.0
89.02317	4.4
93.03336	4.8
95.01272	1.9
98.20496	2.9
99.00742	3.8
101.02332	9.5
111.00714	1.7
112.98682	7.0
113.02331	9.1
114.36189	1.7
115.00262	2.4
119.03321	1.9
119.04903	4.0
124.98735	1.7
125.02305	1.8
129.01810	1.9
133.02855	7.3
134.03682	1.8
135.04390	2.5
137.02336	4.3
142.99767	16.4
145.02853	2.5
145.71140	1.7
150.05417	2.3
155.03381	2.1
161.02348	1.8
161.04469	1.7
163.03923	2.7
165.05437	3.7
165.12759	7.3
173.00830	4.1
173.04436	4.6
174.01631	15.2
175.02402	4.1
177.01825	2.5
183.13826	11.6
205.12244	3.8
211.13283	9.0
227.12753	2.3
233.06578	5.6
237.14766	1.8
249.83041	1.7
275.09171	1.8
281.08725	4.1
287.22284	6.2
299.01944	2.6
311.22363	3.5
313.03918	1.7
329.23093	2.0
334.06943	10.8
341.15848	3.4
373.25873	3.1
381.15350	1.6
431.26514	7.0
449.27411	7.3
491.10312	2.2
491.21512	17.1
491.28497	33.2
492.21930	3.0
492.28769	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.2
59.01252	100.0
61.98679	1.7
71.01247	20.4
72.99185	5.8
73.02826	5.1
75.00738	5.9
83.01264	3.6
85.02818	9.6
87.00752	4.0
89.02317	4.4
93.03336	4.8
95.01272	1.9
98.20496	2.9
99.00742	3.8
101.02332	9.5
111.00714	1.7
112.98682	7.0
113.02331	9.1
114.36189	1.7
115.00262	2.4
119.03321	1.9
119.04903	4.0
124.98735	1.7
125.02305	1.8
129.01810	1.9
133.02855	7.3
134.03682	1.8
135.04390	2.5
137.02336	4.3
142.99767	16.4
145.02853	2.5
145.71140	1.7
150.05417	2.3
155.03381	2.1
161.02348	1.8
161.04469	1.7
163.03923	2.7
165.05437	3.7
165.12759	7.3
173.00830	4.1
173.04436	4.6
174.01631	15.2
175.02402	4.1
177.01825	2.5
183.13826	11.6
205.12244	3.8
211.13283	9.0
227.12753	2.3
233.06578	5.6
237.14766	1.8
249.83041	1.7
275.09171	1.8
281.08725	4.1
287.22284	6.2
299.01944	2.6
311.22363	3.5
313.03918	1.7
329.23093	2.0
334.06943	10.8
341.15848	3.4
373.25873	3.1
381.15350	1.6
431.26514	7.0
449.27411	7.3
491.10312	2.2
491.21512	17.1
491.28497	33.2
492.21930	3.0
492.28769	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2137
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
55.01748	2.0
57.03327	5.5
59.01255	10.5
68.99678	0.7
69.03333	0.9
71.01255	22.1
72.99182	4.4
73.02832	3.2
73.31394	0.5
75.00749	25.4
75.33674	0.5
83.01265	3.5
84.02045	0.9
85.02825	31.6
87.00758	8.4
89.02319	2.4
95.01254	3.5
97.02842	1.4
99.00158	0.9
99.00757	10.9
101.02319	5.1
103.00265	1.4
111.00765	4.1
112.01584	0.5
113.02329	31.3
114.02657	1.0
115.00274	2.4
117.01833	1.9
119.98943	0.4
125.02309	0.6
129.01839	2.2
133.01321	0.5
147.78134	0.5
156.51881	0.5
157.01308	2.0
160.09619	0.5
161.04482	1.5
175.02422	4.5
211.26979	0.6
227.76408	0.5
271.51761	0.5
277.68790	0.5
315.18097	1.1
335.06232	3.6
336.06799	0.8
337.07608	0.5
399.71866	0.6
429.21469	0.8
431.19211	1.0
448.11911	0.6
473.20932	0.7
485.34604	0.6
491.21347	100.0
492.21689	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	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.1
58.00465	2.0
59.01252	100.0
60.01580	1.5
71.01252	29.8
71.54887	1.0
72.99185	2.5
73.02823	16.6
73.03198	1.7
75.00734	5.1
81.03345	1.7
83.01254	5.7
83.04900	1.3
85.02815	9.7
87.00764	2.6
89.02322	10.2
93.03352	1.2
95.01256	2.4
97.06509	1.9
99.00746	1.8
99.04393	1.6
101.02329	21.6
103.03884	2.0
105.32471	1.0
109.02868	2.6
113.02331	13.0
114.89060	1.0
119.03389	4.7
119.04922	2.5
121.02882	1.4
121.10130	4.6
123.08055	2.1
125.02312	1.5
131.03386	1.4
135.04454	1.3
145.06503	1.9
149.04420	2.3
151.00279	3.5
153.01849	2.2
156.05034	1.0
161.04474	6.6
178.99780	1.2
179.05551	1.9
181.08701	2.5
199.13409	1.2
203.05675	1.2
211.13416	1.6
229.66698	1.2
249.06087	5.2
255.02972	4.2
269.17581	2.2
271.02505	8.2
299.12967	3.0
300.02753	11.4
301.03586	7.0
329.16028	33.0
330.16449	2.5
431.15457	5.3
431.22849	2.4
432.16177	1.6
447.09354	2.2
449.23648	2.0
491.08099	9.4
491.21378	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	491.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.2
55.46787	1.4
55.54512	1.3
56.05952	1.3
57.03315	4.6
58.00468	1.8
59.01254	25.6
60.55855	1.4
69.23228	4.9
69.23635	13.1
71.01260	30.0
72.99178	6.9
73.15176	1.4
75.00752	34.9
82.92985	1.3
83.01250	3.3
85.02831	30.7
87.00741	6.6
89.02336	6.9
95.01289	2.3
99.00789	8.5
101.02325	7.9
101.38288	1.4
111.00758	3.1
113.02345	29.9
115.00281	2.0
117.01831	2.1
119.03421	2.9
119.04936	2.6
120.43176	1.4
131.03392	1.5
163.03960	1.9
173.04459	2.7
175.02437	4.5
290.96878	1.7
491.21393	100.0
492.21692	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	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.3
55.07089	1.0
57.03314	3.1
58.70743	1.1
59.01252	48.7
68.99673	1.4
69.03339	1.2
70.13832	4.3
71.01255	30.9
72.99177	6.4
73.02817	13.0
75.00749	24.1
81.03335	5.3
83.01270	4.2
83.04894	1.0
85.02827	22.7
87.00750	4.8
87.04401	1.3
89.02316	6.0
91.01752	1.5
93.03320	1.4
95.01276	3.4
99.00745	6.0
99.04396	4.1
101.02332	13.5
103.03909	1.5
108.02058	17.5
109.02841	88.0
110.03175	3.1
111.00745	1.5
113.02322	13.9
115.00305	1.3
119.04913	1.3
121.10109	3.5
123.00785	2.7
123.04424	2.0
125.02317	1.6
127.03926	1.6
132.02029	2.8
134.03644	8.8
135.00735	1.3
135.04434	1.2
137.02299	1.4
143.03439	5.4
151.00290	1.8
152.01068	17.7
153.01848	82.7
154.02226	2.5
159.02901	1.1
160.01561	10.4
161.02325	1.2
161.04454	12.5
163.03931	1.7
165.09077	1.6
167.03387	1.5
167.10719	2.1
167.77492	1.1
173.04402	3.7
173.42236	1.0
175.02477	2.1
175.03946	5.8
175.07523	0.9
177.05455	1.7
179.05742	1.2
180.06563	2.3
193.05035	5.1
209.11743	1.7
233.06573	4.1
263.81879	1.1
286.04028	1.5
287.04541	1.5
297.06320	1.1
300.02917	2.0
301.03403	2.5
315.07239	37.7
316.07599	2.9
329.16132	11.7
330.16159	1.8
346.78967	1.5
433.07709	1.5
491.11926	59.4
491.21304	100.0
492.12228	11.5
492.21805	15.8
505.74771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1216
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
54.32667	0.3
55.01754	0.8
56.70708	0.3
57.03326	1.1
59.01251	16.4
60.01576	0.3
67.94646	0.3
69.62384	0.7
69.62778	2.3
71.01255	8.1
72.01597	0.3
72.99191	1.2
73.02817	2.0
75.00746	4.6
83.01276	1.3
83.04907	0.5
85.02827	7.0
87.00773	1.4
89.02311	2.4
93.03349	0.6
95.01260	0.9
97.02851	0.6
98.19872	0.6
99.00740	2.2
101.02327	3.9
108.02081	0.5
109.02837	1.1
111.00722	0.3
113.02335	5.9
114.02707	0.5
115.00303	0.3
119.03403	0.6
121.02847	3.2
123.04425	0.4
125.02325	0.6
127.02366	0.3
127.03932	0.6
131.03450	0.4
139.03934	0.4
145.02769	0.4
149.02370	0.5
151.00293	0.9
153.01860	0.3
161.02347	0.6
161.04477	0.6
161.64775	0.4
163.03973	0.5
167.03398	1.9
170.03607	0.4
173.04439	0.6
175.02441	0.5
175.03958	0.4
185.11909	0.4
186.03194	0.8
193.03462	1.4
194.03889	0.6
195.03911	0.5
198.03145	0.8
199.03812	0.5
211.13345	0.5
214.02643	2.7
216.00682	0.4
217.01361	0.5
226.02682	0.5
227.03441	0.6
241.01395	2.9
242.02168	20.3
243.02682	2.2
245.00894	6.1
246.01204	0.5
254.02237	0.7
255.02951	1.2
270.01688	31.5
271.02322	4.7
273.00458	0.7
282.01773	0.8
285.04059	11.6
286.04407	1.0
287.22522	0.3
298.01196	7.6
299.01971	8.4
300.02576	0.7
301.03601	0.5
313.03534	100.0
314.04120	19.6
315.04724	1.1
327.05173	0.5
328.05823	4.4
329.06650	45.4
330.06952	3.9
334.07120	0.4
339.83112	0.4
371.07678	1.5
431.26669	0.8
449.27548	0.7
461.07309	0.5
476.09607	8.1
477.09924	0.9
490.19739	1.2
490.26517	0.4
491.11902	51.0
491.21045	13.8
491.28165	2.1
492.12262	6.9
492.21072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.6
61.91107	0.9
67.19566	0.9
69.44650	2.4
69.45058	7.4
71.01272	3.2
72.99195	1.6
75.00749	3.6
76.95781	0.8
81.03328	5.1
83.01263	7.6
85.02838	2.4
88.98682	2.0
89.02319	3.3
93.03368	1.7
95.01276	1.7
95.04923	3.7
97.02827	2.2
97.78998	1.0
99.04366	1.5
101.02308	2.0
107.04933	1.3
107.75002	0.9
108.50709	1.1
109.02843	2.0
109.06423	1.0
111.00753	1.4
113.02359	3.2
119.04910	1.9
121.02855	3.2
122.03598	1.1
123.04409	11.4
125.02353	8.3
125.49943	0.9
135.04410	2.7
137.02406	3.3
137.05960	6.5
139.03918	5.0
141.05516	1.8
147.04465	1.3
151.03915	2.3
152.03470	1.0
153.05473	2.0
157.83604	0.9
161.05965	1.4
163.03925	2.9
165.01810	2.5
165.05515	4.1
167.03404	24.6
177.05502	1.5
179.03433	4.8
179.06990	1.1
181.04962	2.3
189.05444	1.5
191.03394	1.6
193.04968	2.6
197.04514	4.5
205.05179	1.0
207.06628	1.6
209.04498	39.0
210.04906	2.3
219.02919	1.8
221.04541	11.3
222.05159	1.1
235.06168	2.2
239.05594	11.9
241.80101	0.9
248.03297	1.1
251.05594	100.0
252.05913	6.2
255.72913	1.1
263.05695	3.7
265.07068	1.7
270.38882	1.0
281.06659	63.7
282.06885	4.7
293.06714	3.3
298.01163	1.1
311.07736	15.9
323.07867	1.2
335.07675	1.1
353.08810	5.0
371.09796	15.0
383.09857	3.1
401.10870	1.5
491.13190	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	491.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69566	0.7
55.01752	1.0
57.03315	1.2
58.00456	1.1
59.01253	40.0
60.01571	1.2
64.64286	0.7
69.03335	0.8
71.01257	17.6
72.99192	2.8
73.02823	8.7
75.00760	12.3
81.03338	2.0
83.01267	2.8
85.02822	12.8
87.00761	3.2
89.02325	6.1
91.01812	0.8
93.03331	2.2
95.01248	2.3
99.00756	4.6
99.04391	3.1
101.02326	8.7
103.03896	0.9
108.02052	18.3
109.02840	100.0
110.03175	2.5
113.02337	10.5
119.03390	1.6
119.04906	0.9
121.10152	0.8
123.00767	3.0
123.04404	1.2
125.02344	0.8
131.17972	0.7
132.02071	2.9
133.02843	0.9
134.03644	9.7
137.02303	1.2
143.03415	2.4
149.02222	1.0
149.05920	1.3
151.00227	1.2
152.01062	19.4
153.01848	85.1
154.02188	3.3
157.01230	0.8
160.01582	9.5
161.02322	2.0
161.04468	7.7
163.04013	1.5
167.03397	0.9
173.04515	3.5
175.02472	1.5
175.03911	8.8
179.05592	1.0
180.06618	1.4
193.05031	4.8
209.11816	1.7
229.64345	0.8
233.06673	3.5
246.06508	0.8
252.25851	0.7
255.02974	1.5
256.03296	1.0
257.03772	0.8
257.08331	0.8
271.02536	1.0
275.09308	0.8
285.03900	2.4
286.04175	3.1
287.04663	2.5
297.06210	1.8
300.02835	1.0
315.07236	42.1
315.17935	0.9
316.07739	2.6
323.07733	1.3
329.16040	5.7
337.09399	1.5
341.13739	1.0
371.21143	0.8
431.22546	0.9
447.22821	0.7
491.12030	68.5
491.21396	48.0
492.12445	7.9
492.21826	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	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54574	0.6
51.98733	0.6
58.88276	0.7
59.01251	1.0
69.03303	1.0
69.35308	1.1
69.35723	5.9
71.01246	2.5
73.02798	0.8
81.03316	1.7
85.02818	2.2
93.03348	0.9
95.01234	1.6
96.00916	0.8
100.54864	0.7
101.02324	1.8
108.02055	84.5
109.02852	39.4
109.03607	1.6
110.03177	1.3
117.03331	1.6
121.02811	1.2
123.00819	1.0
132.02075	9.9
133.02850	6.5
134.03644	10.5
135.00771	1.6
135.04448	4.0
137.02373	0.9
147.04466	0.8
149.05934	1.9
151.03854	1.3
152.01059	94.8
153.01849	29.5
154.02283	0.8
160.01575	45.1
161.02345	25.6
161.03709	1.3
162.02660	0.8
163.03896	1.9
165.27798	0.8
167.03395	0.8
175.03926	34.9
176.04344	1.4
179.03412	2.2
193.05019	3.7
199.56778	0.8
221.04692	0.7
227.03456	1.1
228.04042	1.1
243.06664	1.5
256.03287	1.0
257.03604	0.9
284.03204	1.7
285.03864	1.6
315.07220	23.9
316.07608	1.2
323.07880	4.8
329.02557	0.7
337.09219	1.6
369.21747	0.7
447.12860	2.3
459.09128	1.9
471.60684	0.9
472.08417	0.8
491.11957	100.0
492.12317	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.12
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
52.12911	0.3
53.91021	0.3
55.40875	0.3
57.02844	0.3
59.01249	4.4
66.76153	0.4
69.70432	1.9
71.01244	1.3
77.77329	0.3
85.02835	0.6
93.65411	0.3
94.96227	0.3
99.00777	0.5
101.02343	0.8
133.02884	0.4
145.18576	0.3
148.90125	0.3
151.00232	0.5
151.81403	0.3
165.01875	0.3
171.10374	0.3
185.01772	0.3
199.03958	1.1
226.02786	0.3
227.03439	1.2
243.02954	1.6
254.02182	0.3
255.02939	0.6
267.07114	0.3
268.45493	0.3
269.04553	1.2
270.10779	0.4
271.02478	28.5
272.02859	1.9
273.06915	0.3
281.00925	0.3
285.04123	1.3
286.04657	0.4
287.22214	0.5
299.01974	64.5
300.02338	4.0
313.03421	0.6
314.04327	76.1
315.04666	6.0
327.01483	0.5
329.06668	100.0
330.07007	8.4
334.06934	0.7
431.26660	0.9
440.56744	0.3
449.27316	0.8
459.05466	0.4
490.27710	0.3
491.11935	0.7
491.21683	0.7
491.28586	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	490.2578
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
59.01248	0.7
61.97445	0.2
62.96267	0.3
65.07247	0.2
71.01272	0.2
74.25451	0.2
78.95783	100.0
84.17755	0.2
96.96851	8.1
107.44742	0.2
110.52946	0.2
110.98434	0.5
121.10098	0.2
122.98418	0.7
125.00002	1.5
140.00990	0.4
150.97980	0.4
152.99503	19.6
153.99814	0.2
157.48325	0.3
171.00566	21.2
171.10211	0.7
172.00980	0.2
182.02119	1.6
182.60063	0.2
197.02173	1.9
214.04784	0.5
238.04901	0.4
239.03439	0.4
268.05939	0.8
275.20288	0.4
282.05289	0.6
283.06323	0.3
291.19733	0.4
293.21198	1.1
296.09116	0.7
296.51532	0.2
304.13373	0.2
310.10767	0.5
318.14651	0.6
323.22302	1.6
324.12439	0.4
331.47263	0.2
338.13904	0.3
352.15359	0.5
378.16891	0.9
378.69632	0.2
392.18436	5.2
393.18973	0.5
416.22238	1.7
420.17978	0.6
421.18671	1.5
440.28073	0.3
490.25784	60.2
491.26178	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	490.2578
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
57.03323	1.7
59.01258	3.0
62.96276	0.5
68.58681	0.6
71.57896	0.9
78.95781	100.0
86.61568	0.5
96.96837	8.3
97.06485	0.6
107.04881	0.6
109.06470	0.6
113.09621	6.3
139.11224	0.8
140.01115	1.2
152.99498	18.2
160.36012	0.6
161.76300	0.5
167.10710	0.8
171.00571	18.8
171.10184	0.7
179.10722	0.9
195.13828	1.5
196.03743	1.4
214.04803	2.5
235.17140	0.9
249.22192	0.9
275.20242	1.0
293.21243	42.4
294.21613	3.8
362.61624	0.6
416.22052	1.4
490.25778	59.7
491.26181	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	490.2578
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
56.40969	1.0
57.03327	1.1
59.01245	3.8
70.63644	1.0
71.01240	1.3
71.57613	1.5
71.82522	1.2
78.95780	56.0
80.34913	0.9
85.99446	1.0
90.37212	1.0
96.96840	2.2
99.04369	1.2
111.08002	1.7
122.00009	1.8
140.01099	10.9
152.99487	5.8
171.00467	2.4
171.10098	1.4
179.14397	1.6
195.13847	15.1
196.03749	19.2
196.14499	1.3
214.04744	5.5
223.13367	10.5
228.13560	1.4
249.43634	1.0
256.13129	2.8
275.20206	4.8
293.21234	100.0
294.21487	9.6
323.22244	6.8
351.20828	1.0
382.24435	1.1
392.18292	1.2
421.18549	1.7
490.25772	64.2
491.25955	9.9
501.30481	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80074	0.3
59.01243	1.2
62.96267	0.3
69.87034	0.3
71.58331	0.4
74.08379	0.3
76.37395	0.4
78.95781	100.0
82.17238	0.3
83.72118	0.3
85.99154	0.4
89.37347	0.3
96.96842	8.4
100.85214	0.3
103.41486	0.3
111.08496	0.3
112.54332	0.3
121.08128	0.3
135.04767	0.4
140.01060	0.7
150.97917	0.4
152.99503	17.0
171.00563	16.8
171.10155	0.4
213.17427	0.3
214.04781	0.7
235.17067	0.9
266.33264	0.3
275.20160	1.4
284.81247	0.4
293.21231	3.9
328.08905	0.4
361.22278	0.4
416.22226	1.7
490.25739	55.0
491.26096	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	490.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68422	0.5
57.03311	0.6
59.01247	2.6
68.38618	0.4
71.01250	0.6
71.35075	1.2
78.95776	41.9
96.96835	2.9
107.95947	0.4
109.44232	0.4
118.30229	0.5
125.00011	0.9
139.07552	0.5
140.01114	3.6
141.50125	0.5
152.99484	7.1
171.00569	6.5
179.14351	0.8
181.12282	0.7
182.02129	0.5
195.13849	8.7
196.03734	1.7
196.14374	1.1
197.02148	0.6
205.12260	0.9
210.87941	0.5
211.13348	0.8
214.04767	6.6
223.11142	0.6
223.13350	9.7
224.13953	0.8
228.13605	0.7
231.21158	0.6
256.13211	2.2
268.05914	0.5
275.20126	4.8
275.64182	0.5
293.21216	100.0
294.21545	9.4
310.10443	0.6
323.22131	0.6
324.15546	0.4
333.65829	0.4
344.46091	0.4
392.18411	0.9
416.21939	0.8
490.25726	38.3
491.26279	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59911	0.9
59.01254	100.0
60.01573	1.1
68.47414	0.9
69.24257	1.1
69.24664	9.4
101.52236	0.9
136.29854	0.9
194.04192	0.9
228.73901	0.9
350.24280	0.9
355.32349	2.1
362.84357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64582	1.5
59.00989	2.2
59.01255	23.8
65.00203	6.8
65.33588	1.8
65.99715	5.5
71.01252	10.0
71.57953	3.2
73.02835	1.8
74.97524	1.7
83.01272	2.6
85.02818	2.6
87.00761	2.2
89.02311	6.6
91.01750	1.8
93.03345	3.9
95.01261	6.7
98.02337	2.0
99.00721	1.6
101.02359	3.0
107.01266	9.5
108.02073	2.9
109.02839	25.9
109.99981	2.4
111.00767	3.8
113.02423	2.4
113.13419	1.8
119.01241	2.1
121.02836	12.5
123.00810	8.6
123.04327	2.1
124.01552	3.0
125.02364	9.1
130.02869	1.7
133.02844	11.3
134.02377	8.6
135.00798	6.7
135.04407	6.8
136.01546	6.0
137.02344	25.3
139.00272	3.3
139.03931	3.5
146.02350	2.5
147.00769	7.9
148.01567	80.7
148.22330	1.6
149.02382	22.0
151.00269	28.4
151.03894	4.2
152.01009	7.9
153.01842	3.2
158.02350	4.1
159.04420	1.8
161.02357	23.6
161.05965	2.0
162.01883	16.0
163.00275	16.5
163.02603	6.2
163.03934	5.5
164.01057	3.0
164.03441	14.7
165.01822	4.0
169.01372	2.0
171.04466	2.2
173.02312	2.4
174.01804	2.5
175.00381	9.7
175.03949	3.8
176.01051	5.0
176.03522	5.0
177.01849	66.7
178.99774	14.7
179.03392	11.0
180.00452	2.2
181.01381	2.4
186.01909	19.6
187.02455	2.7
187.03938	4.5
189.01862	4.1
190.01367	8.3
190.99741	2.9
191.02090	5.0
191.03467	6.9
192.00581	3.3
193.01311	7.6
197.02386	4.0
199.03914	8.5
201.01889	3.5
201.05490	2.4
202.01369	4.8
202.99805	16.2
203.02058	6.4
203.03729	2.3
204.02956	42.2
205.01378	2.6
205.03197	2.4
206.99318	2.8
211.03975	2.3
215.03442	5.7
217.05051	2.1
221.00893	3.4
222.04059	5.9
227.03448	10.4
228.04112	1.7
229.01370	1.8
229.04895	3.6
230.00885	28.7
231.03134	3.7
232.03802	2.4
233.04556	3.1
233.06686	1.7
241.05026	3.6
242.02109	5.1
243.02908	11.6
245.04555	6.8
247.01016	3.0
255.02994	9.3
256.03653	2.4
259.02493	3.9
260.03085	2.5
266.04495	2.3
267.03006	2.8
268.02927	2.5
269.00928	3.6
269.04312	2.2
270.01575	2.5
270.04205	2.0
271.02448	36.7
271.05133	2.9
272.03073	9.9
272.05768	3.1
273.04028	11.1
283.02512	2.4
285.03952	7.4
287.02002	7.0
288.02625	4.3
294.04138	10.4
295.02383	3.7
296.05780	3.0
299.01993	32.6
299.07510	2.5
300.02591	16.2
301.03275	4.0
310.03561	6.5
311.04312	3.1
312.02286	2.2
312.05453	2.8
313.03470	11.8
313.06064	6.4
316.02197	14.7
317.02975	37.6
318.03445	3.8
322.03534	19.7
323.04016	5.4
324.04947	2.1
325.05652	21.7
327.07104	2.2
328.12643	2.2
336.07346	2.3
339.03857	24.8
340.00961	6.7
340.04575	53.0
341.05042	5.6
342.02597	1.9
354.08279	50.1
355.08701	3.9
357.04871	19.1
358.01721	2.4
358.05698	26.4
365.08679	3.6
370.70993	2.0
380.06247	59.3
381.06604	6.5
397.07379	1.9
405.08362	4.7
423.09561	2.1
432.07108	7.7
449.07159	24.1
450.07822	2.9
472.08841	30.1
473.09091	2.7
490.09967	100.0
491.10651	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	490.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61040	2.5
59.01254	49.5
65.00192	6.3
68.99688	2.4
71.01263	15.2
71.57732	3.2
75.00744	5.3
85.02845	4.8
87.00754	2.6
89.02357	5.9
93.03356	3.0
95.01295	4.4
99.00787	3.4
107.01279	5.2
109.02848	18.9
113.02328	7.1
121.02848	7.2
123.00797	6.8
123.04432	2.5
125.02365	7.2
133.02826	4.9
134.02364	6.7
135.00806	7.4
137.02356	17.1
139.03938	3.9
147.00812	3.9
148.01559	39.2
149.02339	8.3
151.00264	19.2
152.01053	4.5
158.02370	4.1
161.02351	5.4
162.01900	16.1
163.00311	10.5
163.03926	4.6
164.03467	14.9
165.01852	6.2
166.99796	6.1
175.00305	5.2
175.02548	3.0
176.01039	5.2
176.03429	3.7
177.01871	55.1
178.02286	3.4
178.99846	12.8
181.08659	8.6
186.01804	12.7
187.03966	3.0
190.01358	7.0
191.02188	7.7
192.00395	2.8
193.01387	6.0
199.04060	3.7
202.99800	12.7
203.01967	4.1
204.02957	39.7
215.03471	5.6
227.03537	6.4
230.00868	20.7
232.03809	2.7
243.02985	10.9
245.04552	3.7
247.01268	4.5
249.06146	10.3
255.02925	4.5
269.00967	4.3
269.04471	3.0
271.02481	32.7
272.03271	7.6
273.03989	6.2
281.06818	7.8
285.04062	6.8
287.01944	4.5
288.02600	5.9
294.04153	7.0
299.01987	37.6
299.07507	3.3
300.02643	11.7
310.03595	4.8
311.04364	3.9
312.05475	4.0
313.03479	8.8
316.02158	15.5
317.02960	30.3
322.03546	12.5
325.05667	15.6
339.03848	22.2
340.00955	8.7
340.04630	48.7
341.05054	6.9
354.08301	35.9
357.05066	12.3
358.05582	14.3
380.06171	32.1
431.15610	23.9
432.07013	3.1
447.09589	3.1
449.07413	17.0
459.16949	2.6
472.08960	27.1
490.09970	100.0
491.09940	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	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
57.03326	2.7
58.00465	2.1
59.01252	53.4
65.00182	1.3
68.99670	0.9
71.01250	27.8
71.01707	1.3
72.99189	5.0
73.02819	40.2
75.00742	9.6
83.01263	3.8
83.04900	1.4
83.08039	0.8
85.02823	11.7
87.00764	4.1
89.02316	14.4
92.25373	0.8
93.03324	1.0
94.40998	0.8
95.01281	2.5
96.17667	1.0
99.00750	3.0
99.04390	11.8
101.02322	11.1
103.00269	1.1
104.33009	1.0
105.00026	0.9
106.78701	1.0
107.01299	2.4
109.02931	1.1
113.02331	15.2
115.00272	1.0
116.92733	1.1
117.01862	1.1
117.03289	1.4
119.03398	4.8
119.04910	2.9
121.02888	1.2
125.02334	1.9
125.09630	1.2
129.01842	1.0
131.03439	0.9
132.02074	1.3
133.02884	1.3
135.02904	2.5
137.02368	1.3
143.03419	1.1
145.02855	2.2
149.02325	1.6
151.00255	6.3
151.03928	1.7
153.01831	2.6
160.01595	2.0
161.02173	1.0
161.04436	1.7
163.03972	1.6
165.05437	1.4
173.04503	1.0
175.02438	1.5
175.03894	3.6
177.01714	1.1
183.04375	1.6
187.03940	1.4
191.14392	1.6
193.03484	6.1
193.04970	1.3
199.03918	1.0
209.11781	1.2
211.03955	2.4
211.13303	8.8
215.03082	0.8
217.12234	1.7
227.03450	80.3
228.03799	5.4
229.05034	2.5
235.04547	3.8
235.13359	12.9
241.05005	1.0
243.02995	1.3
247.17064	1.5
251.07228	2.1
255.02968	100.0
256.03467	16.4
257.04453	1.8
265.17944	4.4
267.06747	2.7
271.02478	2.8
279.06540	1.5
282.08960	1.1
283.02493	2.1
284.03262	72.7
285.03983	39.7
286.04410	3.9
300.02719	5.1
301.03375	2.5
309.17078	62.4
310.17383	6.9
321.07144	1.1
323.05505	1.4
327.05170	1.8
337.07751	1.3
338.08359	1.2
341.10321	4.0
353.10260	6.9
383.25143	1.0
388.19998	1.0
429.08453	1.5
471.19922	2.2
489.10406	95.1
489.23593	26.5
490.10809	12.6
490.23700	3.9
505.09903	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.9
57.03339	8.4
57.03560	1.4
58.00459	1.7
59.01249	37.6
69.03310	3.7
69.41899	3.3
69.42323	10.3
71.01257	54.7
72.99181	16.8
73.02806	5.4
75.00752	54.4
75.01199	2.2
83.01280	8.4
84.02062	1.8
85.02827	59.2
87.00754	18.2
89.02322	16.1
89.99890	1.5
91.92928	1.6
95.01280	6.4
97.02831	6.6
98.19829	3.5
99.00755	16.6
101.02332	12.7
103.00249	5.8
111.00701	1.5
112.52797	1.7
113.02332	67.9
115.00273	4.7
116.01027	1.4
117.01849	4.0
119.03363	2.7
128.88318	1.7
129.01868	3.0
131.03383	7.4
157.01312	2.0
173.04477	7.1
175.02376	8.7
181.36220	1.7
188.70715	1.5
191.05519	1.9
193.03482	62.9
194.03787	2.9
198.78993	1.5
235.04564	33.5
281.81900	1.5
337.07721	12.0
355.08817	2.3
414.00900	1.7
489.19769	100.0
490.20181	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	489.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.9
59.00990	1.4
59.01256	18.1
66.33122	1.0
69.70575	5.7
71.01255	16.6
72.99199	1.4
73.02812	1.4
75.00747	1.4
78.95803	1.1
80.96400	3.7
82.01584	0.9
83.01261	4.1
85.02831	3.2
87.00752	26.7
89.02315	1.3
94.29834	1.1
94.97970	1.7
99.00783	1.0
101.02340	1.0
107.10859	0.9
111.00768	6.3
112.98694	1.2
113.02332	3.1
115.00261	53.7
122.38206	0.9
127.00227	1.1
139.00272	12.9
146.06017	1.4
157.00111	1.6
157.01349	26.0
164.98608	1.0
171.10220	1.8
175.02403	100.0
176.02710	2.9
177.63196	0.9
191.05736	1.4
204.50539	0.9
210.07545	1.1
225.00719	1.7
226.12338	2.5
240.08919	1.1
243.09096	2.0
258.57944	0.8
261.10129	1.7
269.12973	12.2
299.13965	1.2
313.11917	12.0
314.12390	1.1
343.13007	3.4
371.12354	6.1
391.12747	1.1
399.15536	0.9
409.14032	7.1
427.15146	8.9
429.13055	2.9
437.29663	0.9
453.13223	1.2
471.15146	1.7
489.16190	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	489.1616
Annotation	Erythroxyloside B
Peak:m/z	Relative Intensity
57.03321	1.2
58.00464	1.2
59.01255	27.7
68.99684	7.9
69.71349	7.3
71.01257	25.4
71.01656	1.5
72.99186	4.8
73.02808	1.7
75.00726	2.5
83.01283	3.6
85.02826	9.6
87.00756	15.3
89.02316	15.2
90.87711	1.0
93.03359	1.9
96.99207	3.5
99.00770	1.9
101.02332	2.0
102.58011	1.0
108.02139	1.4
112.42137	0.9
113.02335	4.9
115.00259	33.3
119.04922	8.9
119.08558	7.8
120.05238	1.2
122.03609	2.5
131.03404	2.1
134.03682	2.2
137.02353	2.1
145.02940	1.1
152.03471	11.4
163.03905	4.7
163.07578	2.6
165.09084	2.5
175.02402	39.1
176.02786	1.8
177.05588	1.2
183.10129	8.7
189.09090	1.5
191.10722	1.6
193.03517	1.1
193.05084	4.0
211.07626	3.2
217.08679	2.2
231.10086	1.4
239.08958	1.9
239.11073	1.5
305.10254	1.7
313.12906	3.6
325.12402	1.3
331.13977	6.4
341.12433	3.8
346.48853	1.2
353.12531	1.4
409.15128	2.3
411.13043	3.5
429.14020	2.4
453.13931	5.1
459.14978	1.3
471.15298	2.5
472.35718	1.2
489.16153	100.0
490.16577	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	489.1042
Annotation	Dalspinin 7-O-galactoside
Peak:m/z	Relative Intensity
59.01252	0.9
65.00216	0.3
69.49940	1.2
69.50349	0.3
71.01278	0.5
78.95831	0.2
85.02853	0.2
98.20491	0.4
100.03059	0.2
107.01283	0.3
113.02303	0.2
121.02869	0.4
124.01575	0.6
125.02396	0.2
133.02890	0.3
138.03189	0.2
139.03923	0.9
140.38240	0.2
145.74608	0.2
149.99495	0.3
151.00291	0.6
155.27051	0.2
159.00797	0.3
159.95375	0.2
160.01561	0.7
161.02371	1.4
162.03130	0.5
165.01862	0.8
187.00299	1.5
188.00963	0.2
199.03952	0.3
200.04723	0.3
205.01425	0.3
211.03955	0.6
212.04710	0.8
214.02629	0.4
215.03477	0.2
216.91687	0.2
218.98471	0.2
223.03949	0.5
227.03477	1.0
228.04225	0.7
238.02707	0.3
239.03448	0.7
240.04408	1.1
242.02229	0.4
243.02902	0.5
255.02992	5.0
256.03729	5.5
257.04172	0.5
266.02203	3.3
267.03046	0.9
268.03568	0.3
283.02475	4.7
284.03217	4.9
285.03766	0.6
294.01712	7.9
295.02377	1.1
298.04803	1.1
309.04086	2.8
310.01157	0.3
310.04492	0.3
311.02020	4.4
312.02765	27.0
313.03152	2.1
325.03540	0.5
326.04315	5.1
327.05099	100.0
328.05475	10.4
338.00998	0.2
400.36905	0.2
446.50531	0.2
489.10400	34.0
490.10764	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	489.1041
Annotation	Dalspinin 7-O-galactoside
Peak:m/z	Relative Intensity
59.01258	1.2
65.00200	0.4
69.98513	0.4
69.98923	1.0
71.01250	0.7
83.01279	0.3
85.02844	0.4
90.73804	0.3
97.02809	0.4
98.19920	0.3
99.00771	0.3
113.02324	0.3
119.04868	0.3
119.87093	0.2
124.01531	0.8
133.02817	0.4
139.03947	0.5
149.99448	0.3
151.00275	0.6
159.00830	0.3
160.01601	0.5
161.02338	0.8
162.03152	0.8
165.01872	0.7
176.63876	0.2
183.04405	0.2
186.03023	0.4
187.00320	1.2
199.03957	0.6
200.04716	0.3
211.03978	0.4
212.04834	0.8
215.03239	0.3
223.03876	0.5
227.03439	1.0
228.04210	0.6
239.03412	0.3
240.04306	1.3
242.02220	0.5
243.02948	0.4
255.02995	2.5
256.03760	5.2
257.04160	0.3
266.02246	3.4
267.02838	0.8
283.02493	1.7
284.03259	5.1
285.03677	0.4
293.98648	0.4
294.01733	6.0
294.92950	0.3
295.02249	1.0
299.01993	0.3
300.02658	0.3
309.03992	1.2
311.02051	1.7
312.02768	25.6
313.03134	2.0
326.04324	0.7
327.05099	100.0
328.05463	8.3
468.67004	0.3
489.10364	5.2
490.10855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01254	42.9
60.01577	0.4
63.02258	0.6
65.00178	0.7
71.01261	5.3
73.02793	1.7
75.00742	1.8
83.01241	1.0
85.02814	3.1
85.79115	0.3
87.00745	0.6
89.02302	1.9
93.03311	1.4
95.01258	0.6
97.02790	0.4
99.00741	1.2
101.02303	2.6
107.01260	2.5
108.02077	0.8
109.02851	0.8
112.53889	0.3
113.02339	2.9
117.03319	0.6
119.03349	0.6
119.04877	0.8
121.02830	1.1
125.02347	0.9
128.03383	0.6
131.03401	0.4
132.02057	1.1
135.00717	1.4
135.04407	0.5
143.04893	0.8
145.02815	1.2
151.00293	2.7
153.01802	1.1
157.06459	0.4
159.04465	0.8
161.02278	0.5
161.04434	0.5
163.00301	2.7
163.03914	0.9
164.01099	0.5
167.04929	0.9
171.04399	0.8
173.04489	0.5
173.06030	0.4
175.02402	0.7
175.03856	0.6
178.99808	0.8
183.04411	1.1
185.02359	0.6
185.05966	1.7
187.03981	3.4
189.05434	0.6
195.04413	0.8
197.06039	1.2
199.03934	1.7
200.04623	0.4
201.05435	0.5
205.05153	0.4
209.11751	2.1
211.04013	3.4
211.13158	0.4
212.04271	0.4
213.05513	1.6
215.03516	0.6
227.03456	24.7
228.03842	1.7
229.05019	7.9
230.05370	0.5
233.06653	0.4
239.03435	2.2
240.04083	0.6
241.05070	1.0
243.02892	1.1
255.02985	55.2
256.03452	6.2
257.04526	5.4
267.02966	1.1
267.06650	0.5
271.02469	3.5
283.02518	3.5
284.03265	71.8
285.04022	100.0
286.04416	8.4
297.04089	0.6
300.02728	6.8
301.03461	1.9
311.01984	7.6
312.02502	1.0
326.00690	1.3
326.04337	5.3
327.01541	4.5
327.04996	1.0
328.01874	0.5
357.05487	0.4
357.19247	1.4
387.19858	0.5
429.08282	3.0
447.09579	0.8
489.10532	31.5
489.19653	2.7
489.24985	0.7
490.10733	5.4
490.19513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.7
61.52456	0.3
63.02275	0.4
63.78382	0.3
65.00209	0.7
69.37585	1.9
69.38020	1.0
83.01270	0.4
87.20411	0.3
93.03335	1.3
104.58936	0.3
107.01282	2.4
109.02834	0.7
117.03379	0.3
125.02312	0.4
132.02069	1.6
135.00771	2.3
143.04916	1.2
145.06465	0.3
151.00275	2.1
153.01840	0.5
157.06494	0.7
159.04471	1.7
163.00320	3.1
164.01083	0.5
165.01889	0.7
167.04918	0.7
169.01291	0.4
169.06516	0.8
171.04416	0.4
178.99866	0.4
183.04436	1.3
185.02405	0.6
185.05952	2.4
187.03940	2.9
188.04373	0.3
189.05536	0.6
195.04460	1.1
197.06029	1.2
199.03969	1.3
200.04730	0.5
201.05528	0.8
209.00800	0.6
211.03972	3.7
211.05917	0.6
212.04645	0.4
213.01686	0.3
213.05521	1.7
214.02574	0.5
215.03455	0.4
223.04105	0.4
224.07948	0.3
227.03458	36.5
228.03859	2.4
229.05026	10.6
229.07283	0.7
230.05309	0.8
239.03513	2.4
240.04195	1.2
241.05043	1.3
243.02806	0.4
255.02979	75.8
256.03497	7.2
257.04568	6.0
258.04874	0.5
267.02896	0.8
283.02512	1.0
284.03271	87.0
285.04022	100.0
286.04410	6.3
311.02100	0.4
327.04965	0.8
372.21567	0.3
489.10379	31.4
490.10724	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	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.9
59.01252	100.0
60.01601	1.3
68.99689	11.7
69.48638	3.8
69.49046	7.1
71.01244	12.8
72.99198	1.5
73.02807	4.5
73.93162	1.2
75.78432	1.3
80.00228	1.4
83.01262	2.4
85.02818	5.9
87.00770	1.3
89.02322	3.3
90.11012	1.3
96.99174	11.1
101.02319	8.4
113.02336	7.6
115.00256	13.6
119.43910	1.3
138.06804	2.1
139.07640	1.5
151.07541	4.7
152.08339	8.4
153.09125	25.1
161.04466	2.4
167.10707	4.4
175.02417	6.1
193.12263	1.6
205.12285	9.8
213.20087	1.3
223.13307	6.6
246.33250	1.5
314.64566	1.4
325.12915	2.0
329.16064	3.1
367.17581	32.2
368.17957	3.2
385.18637	4.5
400.32019	1.5
411.37518	1.8
425.87552	1.7
427.15103	3.2
427.20734	8.1
428.20724	1.5
487.18207	62.7
488.18643	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	488.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.6
59.01262	22.0
63.02266	2.7
63.92839	1.6
65.00191	3.7
65.99709	5.4
71.01268	7.3
83.01277	5.3
85.02843	2.2
87.00751	2.2
89.02340	2.1
93.03363	10.0
95.01302	4.0
101.02304	2.6
107.01283	10.2
109.02847	6.7
113.02328	3.3
117.03368	2.6
118.02898	2.3
119.04929	67.9
121.02854	8.6
123.00781	7.5
123.04374	2.3
125.02355	6.2
125.65634	1.9
130.51006	2.0
132.02074	10.0
133.02858	4.0
134.02368	6.6
134.03622	6.9
135.00757	2.4
135.04356	1.9
137.02353	22.1
145.02872	3.6
146.02367	2.3
147.00757	2.8
149.02403	5.1
151.00288	41.3
151.03894	4.1
152.00917	3.5
152.99493	2.3
160.01585	7.4
161.02370	4.2
162.01889	17.8
163.00308	5.6
163.03934	46.4
164.01135	2.0
164.03456	31.2
169.01288	3.1
172.03932	2.7
175.03944	5.1
177.01860	25.4
178.02196	1.9
178.99800	19.9
179.03447	3.0
183.04442	4.3
186.01918	13.3
187.03941	3.9
189.02036	2.0
190.01396	6.3
191.02095	1.9
192.84741	1.5
193.01346	3.0
193.05014	1.7
197.31175	1.7
199.03938	2.3
201.05508	2.0
202.99890	1.4
203.02130	3.8
204.02975	23.1
210.05595	2.3
211.03989	3.9
215.03502	3.2
217.04837	2.1
227.03445	15.3
229.05064	7.1
229.63933	2.1
230.00960	5.1
239.03476	2.9
241.05000	2.1
243.02939	3.9
245.04451	2.8
245.10846	1.6
251.03499	2.4
253.05080	2.6
254.04543	2.8
255.02957	32.9
255.05449	2.6
256.03635	6.3
256.06360	3.0
257.04529	10.2
266.04596	4.9
267.02701	3.6
268.03436	1.9
269.04553	18.5
270.04312	5.2
271.02448	9.9
272.03165	4.8
273.03934	4.2
278.04578	6.2
279.02872	10.8
279.08722	7.4
282.01810	2.1
283.02438	12.1
284.03049	13.3
284.05429	3.0
285.04022	8.2
294.04239	4.5
297.03912	10.2
299.04767	2.8
300.02597	19.0
300.05130	1.7
301.03564	57.9
302.03937	4.5
306.04111	18.8
307.04471	2.5
323.04343	26.6
323.07825	5.0
324.05139	59.8
325.05240	4.8
340.04755	2.0
341.05368	52.0
342.06149	28.0
350.08603	3.3
368.09927	19.9
376.23874	1.9
394.07748	7.2
421.11429	2.9
430.09045	4.4
445.15097	2.1
447.09305	30.7
448.10114	2.8
451.10632	2.2
470.10880	22.6
487.25128	2.6
488.12030	100.0
489.12775	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	487.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02854	32.9
59.01251	3.4
69.36192	20.8
76.44821	2.2
89.02321	3.7
93.24310	2.2
103.04382	5.5
103.05019	62.1
113.02130	2.4
144.06606	7.7
145.01413	3.3
145.06097	100.0
145.07230	4.8
146.04454	4.3
146.06470	3.5
212.28270	2.5
341.11063	3.9
354.47919	2.8
447.17346	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	487.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.5
57.03326	2.2
58.00446	1.0
58.83236	1.0
58.98156	1.0
59.01255	62.9
68.89323	1.0
68.99691	33.0
71.01254	18.7
71.04927	1.1
72.99187	2.6
73.02441	1.5
73.02813	6.7
81.03340	1.2
83.01254	3.6
85.02828	12.5
87.00768	5.3
88.13488	1.2
89.02328	4.6
96.99196	27.4
99.00748	1.6
99.04377	1.7
101.02330	5.5
103.03886	3.4
107.49207	1.3
110.58935	1.1
112.36774	1.2
113.02357	3.7
113.99510	1.9
115.00270	35.8
116.06714	1.0
119.03442	1.1
119.14603	1.0
121.06387	1.1
121.10117	2.7
128.42493	1.2
132.23463	1.0
135.40984	1.0
152.08345	3.5
153.09140	7.7
157.01328	1.7
165.09088	2.4
167.10701	13.8
168.11003	1.5
172.53722	1.1
174.01596	1.6
175.02383	10.4
175.03792	1.4
175.11223	1.4
191.10770	1.9
193.12325	1.9
205.12289	3.6
223.13261	1.6
325.12881	4.9
329.15976	6.8
367.17642	6.1
385.18588	1.6
427.15717	8.8
443.74390	1.1
485.02924	1.4
487.18210	100.0
488.18494	13.0
489.66870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
55.48550	0.5
57.03329	1.4
59.01252	26.7
68.99693	29.7
70.00037	1.0
71.01256	15.3
71.04906	0.6
72.99161	2.3
73.02817	5.2
75.00745	0.9
81.03335	0.8
82.15396	0.5
83.01275	3.5
83.04916	0.8
85.02824	11.9
87.00753	3.3
89.02322	3.6
93.03365	0.7
96.95897	0.5
96.99194	26.3
97.02877	0.6
99.00772	2.7
99.01839	0.7
99.04405	2.0
101.02328	5.2
103.03889	2.0
109.02823	1.3
111.00732	0.8
111.04401	0.6
113.02336	2.7
113.99432	1.3
115.00262	27.8
116.00603	0.6
119.03391	1.1
121.02869	0.8
121.10094	2.3
123.04432	0.8
127.00212	1.1
127.03906	0.6
139.00281	1.2
141.01773	0.6
144.56740	0.6
151.03914	3.9
152.04706	0.9
152.08337	0.9
152.99321	0.8
153.09148	2.6
157.01312	1.8
161.04482	0.6
161.09621	0.6
165.09102	1.7
167.10703	10.2
173.04309	0.6
174.01590	1.2
175.02422	9.9
175.03914	0.9
175.11226	0.6
177.09119	1.0
179.10603	0.8
191.10655	2.1
193.12262	1.6
205.12299	1.3
219.10303	0.6
221.11766	1.6
245.94897	0.7
251.13081	1.2
265.10956	1.1
325.12927	5.7
329.16144	5.5
367.17389	1.0
381.03122	0.6
427.16061	9.4
428.16412	0.6
469.17413	0.8
487.18225	100.0
488.18549	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	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19156	1.2
55.01758	2.1
57.03316	4.1
59.01256	42.1
61.98702	3.6
68.99701	1.8
69.03312	2.1
71.01257	29.2
71.57612	1.6
72.99190	7.0
73.02821	5.3
75.00752	38.5
76.53335	1.2
78.95788	8.3
83.01256	4.5
85.02825	36.4
87.00753	11.2
88.77941	1.2
89.02281	2.7
95.01266	3.8
97.02815	1.4
99.00758	13.8
99.92449	3.3
101.02324	10.3
111.00711	1.4
113.02335	44.1
115.00281	2.9
115.91950	3.9
116.92736	4.0
117.01804	3.4
119.04878	1.6
125.02350	1.3
129.01813	1.9
135.04393	4.0
145.02856	1.6
152.99487	11.8
157.01337	1.8
160.31670	1.5
161.04489	3.7
163.03879	1.5
171.10178	19.0
173.04491	2.1
175.02388	4.6
175.03809	1.7
179.03360	4.4
187.46428	1.1
193.04987	2.0
241.01157	3.0
269.10245	4.7
334.27286	1.4
376.17004	1.4
383.13464	6.6
394.57663	1.6
427.12271	1.5
487.14664	100.0
488.15204	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	487.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	35.5
69.37176	23.5
69.37594	10.9
71.01260	37.6
72.99187	27.4
73.02817	9.1
74.05051	3.9
75.00759	25.9
79.76551	3.7
85.02345	5.3
85.02819	35.3
87.00753	6.4
89.02315	10.2
91.29247	3.2
91.29855	3.7
95.01254	8.1
97.75711	3.6
98.02358	3.9
99.00756	11.0
101.02347	13.5
103.00217	8.4
109.18856	3.7
113.02335	51.7
113.86602	3.4
119.04916	100.0
129.01842	3.9
131.03452	5.0
134.03644	16.3
135.04410	4.8
145.02861	8.2
149.06003	10.0
151.05997	3.9
152.94679	4.1
163.02560	4.7
163.03928	76.0
174.18022	3.7
175.02441	8.2
178.02654	6.9
179.03406	4.4
193.03467	91.6
193.05054	14.6
220.66577	4.2
235.04312	20.6
266.10266	4.6
324.27252	3.8
337.07724	37.0
355.08826	13.7
487.14685	56.0
488.14984	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	486.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58844	2.9
69.59259	1.2
69.86040	0.5
74.41683	0.5
75.35363	0.6
78.35684	0.5
88.03918	57.8
89.04251	0.8
98.19789	0.7
147.08054	1.8
149.09612	1.9
161.09656	0.9
163.11200	2.6
177.26865	0.6
187.11209	2.8
261.21896	0.6
279.14032	1.2
280.14630	1.1
287.74500	0.7
307.17175	0.7
309.22250	2.2
333.40771	0.6
337.21741	100.0
338.22110	12.2
338.26047	0.4
486.26898	7.9
486.33160	0.8
487.27243	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85201	0.7
53.72082	0.7
55.01770	1.4
57.03316	0.9
58.00457	1.0
59.01253	22.0
61.98705	1.5
62.08101	0.7
67.74510	0.7
71.01254	22.2
72.99172	1.4
73.02830	5.8
75.00737	1.1
83.01263	2.2
85.02819	7.7
85.99958	0.7
87.00753	5.0
89.02322	11.7
95.01256	1.7
96.95878	1.5
99.00741	1.6
101.02320	18.1
109.19113	0.7
113.02320	9.8
119.03403	5.0
131.03403	5.5
143.03391	1.0
145.07622	1.2
146.04720	1.0
147.04428	23.5
148.04778	1.6
159.02873	1.3
159.09187	0.8
160.06360	7.5
161.04466	8.2
161.07120	58.1
162.07425	2.2
175.08684	23.8
176.09193	0.8
187.08707	3.4
189.06622	100.0
190.07016	5.4
203.08208	21.9
203.11763	1.3
221.06619	8.8
229.09760	3.4
233.03033	0.8
305.11420	16.7
306.11786	1.3
307.48373	0.8
323.12424	2.7
434.68225	0.8
437.10629	0.8
447.87610	0.9
467.16849	1.5
485.17783	78.3
486.18173	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	486.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67374	0.7
59.01257	1.0
59.85980	0.7
61.03990	0.7
63.02267	2.3
65.00187	5.1
69.24472	4.3
69.24900	4.6
71.01263	1.0
75.85955	0.8
83.01266	3.4
83.82780	0.8
87.66079	0.7
102.46767	0.8
107.01264	6.9
109.02855	1.2
120.69816	0.7
124.01570	1.4
125.02324	1.9
133.02806	2.1
142.02882	2.0
145.02837	2.0
147.03163	2.0
151.00288	22.9
152.00996	1.3
159.04399	1.3
160.03954	2.6
161.02348	3.2
163.00269	1.3
169.01364	2.0
170.02365	2.6
171.03102	1.0
171.04483	1.8
172.03960	1.3
175.03940	1.3
178.99802	8.0
183.04466	1.3
186.01929	1.7
187.02631	1.4
188.03336	1.8
193.01422	0.9
198.03297	0.9
199.03981	5.8
203.44685	0.8
211.03917	2.4
214.01453	2.8
215.03459	3.5
223.04019	0.9
226.02702	1.2
227.03430	7.6
229.05069	1.5
232.02365	0.9
239.03464	2.9
240.04163	1.5
241.05022	1.8
242.02150	1.4
243.02963	9.3
245.04581	1.5
251.03427	1.6
253.04956	1.0
255.02982	9.9
256.03656	3.4
266.04541	2.8
267.02887	4.9
267.05484	1.1
268.03577	1.7
269.04404	1.5
271.02490	46.1
272.03122	11.8
273.04050	5.1
278.04776	0.9
279.03098	0.8
282.04068	3.3
283.02252	4.8
284.03244	2.9
285.04010	1.9
293.03259	1.6
294.04059	11.0
295.02258	8.0
296.03027	1.9
297.03937	4.9
298.01309	0.9
299.01965	100.0
300.02527	16.6
301.03448	9.8
302.04034	1.5
307.02182	0.9
310.03577	9.4
311.04483	1.0
312.02710	1.5
313.03436	7.5
322.03577	16.7
323.04227	14.9
324.05127	17.9
325.05597	1.2
339.03833	44.0
340.04553	29.6
341.04944	2.9
375.06586	0.9
419.09879	6.3
420.09943	0.9
446.08499	19.4
447.08734	2.5
448.09741	3.0
459.09393	1.7
486.10419	77.6
487.10800	9.8
487.17477	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	484.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68137	1.7
58.02853	11.1
59.01252	13.9
61.98710	3.9
69.03339	1.6
71.01266	8.8
72.00766	2.2
72.99197	2.2
73.02834	1.7
74.02353	28.2
75.00767	3.1
78.95782	4.6
82.02859	2.5
85.02822	3.9
86.02325	11.1
86.06000	2.0
86.98985	2.6
87.00739	2.4
87.05493	9.2
89.02342	2.3
90.00073	2.3
91.54349	1.6
97.03970	3.0
98.19828	3.2
99.00780	2.3
99.05512	23.7
100.00263	1.9
101.02328	4.7
101.07105	4.0
102.05462	3.4
107.06048	2.3
109.02834	1.7
109.03973	4.5
111.05502	1.5
112.03941	2.5
113.02329	5.0
116.01640	2.4
120.01141	3.3
123.05544	3.4
123.08056	1.8
125.02355	3.1
125.03464	3.2
127.05039	5.0
128.03439	67.6
130.29372	1.9
134.75168	1.4
135.05534	7.4
141.06618	5.1
143.04535	100.0
144.04836	2.8
145.06088	5.6
146.04477	9.1
149.09634	7.2
152.99501	4.0
153.06607	7.6
160.00655	29.3
166.09782	3.2
167.04541	7.9
167.08162	2.6
174.71111	1.4
177.03316	11.9
179.04559	22.8
179.07860	1.8
181.06116	2.6
184.10756	2.1
185.05711	3.5
197.05714	3.7
209.11800	2.7
210.08812	18.8
231.04581	2.3
254.07791	35.2
254.10310	2.9
255.08151	1.7
268.07681	1.8
272.08899	49.3
273.09232	2.3
288.06607	12.5
306.07660	99.1
307.07941	6.9
484.19675	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	484.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76368	1.5
58.02851	15.4
59.01255	11.3
61.45076	1.4
61.98727	1.6
62.61471	1.4
71.01249	6.4
72.00777	2.2
73.02831	2.7
74.02351	30.8
78.95776	10.7
81.04475	1.8
82.02845	4.0
84.04436	3.3
85.02790	2.1
86.02351	12.0
86.05972	1.9
86.98981	2.0
87.05493	9.2
90.00093	2.8
97.03942	3.9
98.19728	2.6
99.00758	2.1
99.05524	24.6
100.00310	2.4
101.02324	2.1
101.07090	5.9
102.05492	5.4
109.03960	4.5
109.07569	2.2
111.05540	2.5
112.03931	3.7
113.02324	2.8
116.01571	2.4
116.74129	1.4
120.01121	2.0
123.05523	3.1
123.08035	2.1
124.03880	1.6
125.03416	3.1
127.05045	4.7
128.03433	74.6
129.03789	3.1
135.05519	10.1
141.06589	6.2
143.04530	100.0
144.04924	1.6
145.06070	5.7
146.04494	10.0
152.99492	13.8
153.06602	6.1
153.99773	2.8
159.99423	2.6
160.00662	26.3
166.09749	2.9
167.04543	6.3
167.08177	3.1
170.03265	1.6
171.04097	1.6
177.03296	13.0
179.04558	23.0
181.06161	2.1
185.05612	3.3
197.05615	5.4
210.08786	19.4
249.05951	1.6
254.07788	36.3
255.08005	2.6
272.08899	54.3
273.09360	3.4
288.06604	13.3
289.73688	1.6
306.07657	98.2
307.07907	5.5
361.32205	1.5
448.22775	3.0
484.21317	5.1
485.24838	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	484.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76368	1.5
58.02851	15.4
59.01255	11.3
61.45076	1.4
61.98727	1.6
62.61471	1.4
71.01249	6.4
72.00777	2.2
73.02831	2.7
74.02351	30.8
78.95776	10.7
81.04475	1.8
82.02845	4.0
84.04436	3.3
85.02790	2.1
86.02351	12.0
86.05972	1.9
86.98981	2.0
87.05493	9.2
90.00093	2.8
97.03942	3.9
98.19728	2.6
99.00758	2.1
99.05524	24.6
100.00310	2.4
101.02324	2.1
101.07090	5.9
102.05492	5.4
109.03960	4.5
109.07569	2.2
111.05540	2.5
112.03931	3.7
113.02324	2.8
116.01571	2.4
116.74129	1.4
120.01121	2.0
123.05523	3.1
123.08035	2.1
124.03880	1.6
125.03416	3.1
127.05045	4.7
128.03433	74.6
129.03789	3.1
135.05519	10.1
141.06589	6.2
143.04530	100.0
144.04924	1.6
145.06070	5.7
146.04494	10.0
152.99492	13.8
153.06602	6.1
153.99773	2.8
159.99423	2.6
160.00662	26.3
166.09749	2.9
167.04543	6.3
167.08177	3.1
170.03265	1.6
171.04097	1.6
177.03296	13.0
179.04558	23.0
181.06161	2.1
185.05612	3.3
197.05615	5.4
210.08786	19.4
249.05951	1.6
254.07788	36.3
255.08005	2.6
272.08899	54.3
273.09360	3.4
288.06604	13.3
289.73688	1.6
306.07657	98.2
307.07907	5.5
361.32205	1.5
448.22775	3.0
484.21317	5.1
485.24838	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	484.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	13.0
59.01254	5.3
61.98705	2.0
66.03353	2.7
70.34896	3.5
71.01247	2.4
72.00797	1.7
74.02348	28.3
74.38483	1.2
78.95793	1.9
81.04441	1.6
82.02866	2.7
84.04446	1.7
86.02363	9.1
86.05988	2.6
86.98976	1.9
87.05517	6.4
90.00085	1.8
96.04375	1.0
97.03939	3.0
98.19917	1.4
99.05522	24.1
101.07093	3.5
102.05498	2.1
107.06045	2.4
109.03968	3.3
111.05573	1.4
112.03928	2.9
112.89526	1.0
116.01645	3.2
120.01168	1.9
123.05591	2.2
123.08053	2.7
125.03448	2.6
126.01791	1.8
127.05054	5.0
128.03435	73.3
129.03712	1.8
135.05573	6.7
137.07164	1.1
141.06598	5.4
143.04533	94.0
144.05003	2.0
145.06076	4.5
146.04485	8.5
152.99437	1.5
153.06572	5.2
155.08202	1.5
160.00662	27.4
166.09784	3.9
167.04538	7.7
167.08118	2.1
170.03319	1.4
171.04131	1.8
171.07616	1.4
177.03304	10.0
179.04546	20.4
181.06044	3.1
185.05659	2.8
187.58336	1.2
197.05643	4.5
198.08736	1.2
210.08789	17.7
228.09872	1.5
231.04385	1.4
242.08023	1.4
254.07809	34.2
255.07985	2.5
272.08881	44.6
273.09164	2.9
288.06635	14.1
306.07669	100.0
307.07950	4.7
331.47263	1.1
405.51819	1.2
424.21127	3.3
425.21619	1.3
460.64581	1.1
484.22675	4.3
485.23785	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2731
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
68.67069	0.4
71.21572	0.9
78.95777	17.1
87.51542	0.4
91.05299	0.3
96.96823	1.4
150.97964	0.5
152.99496	30.6
153.99840	0.4
171.00522	1.2
227.03294	3.5
245.04173	0.8
255.23276	100.0
256.23599	8.1
391.22394	0.6
483.27316	42.1
484.27719	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71704	0.8
55.94742	0.9
59.17782	0.8
62.01976	0.9
63.92146	0.8
70.81866	1.7
70.82259	1.7
72.20643	0.8
78.95782	12.9
84.53548	0.9
96.96842	1.5
149.14326	0.8
152.99496	23.0
154.09048	0.9
154.27144	1.0
157.92490	1.1
227.03239	3.5
245.04317	1.4
255.23280	100.0
256.23572	9.5
483.27292	29.3
484.27347	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	483.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71600	0.3
78.95778	7.9
83.42398	0.3
96.96849	0.6
98.19748	0.6
152.99496	15.2
154.51721	0.3
168.39273	0.3
171.00533	1.0
223.82878	0.4
227.03175	2.9
229.35242	0.3
237.22221	0.5
245.04280	1.1
247.04858	0.3
255.23282	100.0
256.23639	8.9
348.64615	0.3
461.66132	0.3
483.27274	23.2
484.27713	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	483.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	19.7
63.51409	1.3
71.01255	6.6
71.58225	2.8
72.99177	2.5
74.64817	1.4
75.00754	35.3
78.95786	3.9
83.57587	1.5
87.00732	1.6
89.02336	4.7
93.10559	1.6
96.50235	1.5
96.78259	1.4
111.00778	11.4
112.98696	2.8
117.37764	1.6
135.02901	44.5
137.02425	1.6
142.99779	3.2
143.04526	2.0
150.03096	2.9
152.99519	2.4
160.75859	1.5
161.85571	1.7
190.39629	1.8
191.07066	2.4
195.13927	8.3
197.23401	1.7
199.13422	1.9
209.11783	1.7
219.06676	1.8
223.13394	5.6
275.20206	7.8
293.21255	100.0
294.21460	9.1
452.08527	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1873
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
57.03323	0.6
59.01252	2.1
61.43259	0.4
61.98707	0.5
66.77986	0.4
69.03317	0.8
71.01263	2.2
75.00753	0.8
78.58625	0.4
78.95796	0.7
81.03343	1.5
83.01225	0.5
85.02838	2.8
85.44716	0.4
87.00765	0.5
93.03346	1.0
95.01258	2.1
98.19756	1.0
99.00768	0.6
101.02283	0.5
103.13605	0.5
108.02054	90.5
109.02857	33.5
109.03614	1.0
110.03178	1.2
113.02332	2.0
113.09644	0.8
119.04912	0.6
121.02834	1.5
123.00764	1.5
123.04407	1.1
125.02290	0.6
133.02841	0.6
134.39919	0.4
135.04449	0.4
142.49406	0.4
151.03896	0.7
152.01059	61.8
152.99477	0.7
153.01852	19.5
154.02254	0.9
163.03897	1.7
165.01854	1.0
185.11746	10.9
186.12151	0.8
214.78235	0.5
233.11722	0.7
249.06180	1.6
267.07324	0.9
271.02545	0.6
297.06067	0.5
483.18710	100.0
484.19058	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	483.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.8
56.57288	1.0
57.03318	4.3
59.01250	14.8
69.03331	1.4
69.82341	6.1
71.01254	22.9
72.99185	5.3
73.02813	3.5
74.65291	0.8
75.00750	27.3
76.29585	0.9
83.01273	4.1
85.02826	32.2
87.00751	8.2
89.02314	4.3
89.31392	0.9
93.03355	1.6
95.01261	3.3
97.02859	1.2
97.22475	0.8
98.19888	1.7
99.00755	9.8
100.84379	0.9
101.02330	8.1
103.00275	1.1
111.00786	1.7
112.01553	1.0
113.02338	29.1
115.00267	3.2
117.01785	1.3
119.04946	1.2
123.51410	0.9
129.01820	1.8
137.82343	0.8
153.01753	0.8
157.01311	2.1
161.04483	2.2
161.46246	1.0
167.03490	0.9
173.04449	2.2
175.02396	3.1
191.05533	3.6
194.85977	1.0
268.00119	0.9
307.17712	2.5
320.85513	0.9
347.26685	0.9
483.20837	100.0
484.21201	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	483.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	8.1
59.01254	35.5
67.01739	2.1
69.03316	3.0
69.35023	14.4
69.35432	3.2
71.00899	2.6
71.01259	42.6
72.99185	11.3
73.02819	3.0
75.00371	2.1
75.00752	31.0
78.95769	18.8
80.02558	18.0
80.91539	6.8
80.96401	2.2
81.03310	2.2
83.01261	3.0
85.02827	49.6
87.00763	15.1
89.02322	9.8
89.23923	1.7
95.01276	10.8
99.00755	15.0
99.04410	9.7
101.02336	2.8
103.00282	4.0
109.90420	1.6
111.00781	2.6
113.02338	58.1
115.00219	3.2
117.01831	3.8
121.06458	2.8
125.02310	2.9
127.03844	1.8
129.01807	3.8
137.02403	4.0
139.00282	2.4
152.99498	21.5
157.01320	2.3
159.17332	1.8
165.01837	4.2
175.02481	8.6
187.06129	2.6
189.11148	2.6
189.12787	45.2
190.13040	5.0
191.10812	2.3
193.03427	5.2
205.07092	7.1
207.13838	19.0
233.11864	8.5
249.06084	14.0
251.10495	2.4
251.12900	34.7
252.13208	2.4
262.08588	1.8
267.07217	2.1
299.00568	1.7
367.11768	2.9
371.84109	2.0
385.12994	3.5
388.76688	1.8
439.14432	2.6
439.19833	31.0
440.19812	5.8
450.49240	2.0
483.18625	100.0
483.23727	4.2
484.19064	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	483.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45374	3.2
85.06277	2.9
85.18232	3.8
87.00789	3.6
87.79090	3.2
136.18375	3.3
151.00281	13.1
163.00381	5.6
163.03830	3.1
178.99768	7.2
243.03026	5.9
255.02924	20.5
259.12039	3.6
271.02441	31.9
300.02762	67.5
301.03500	45.4
340.64194	3.4
422.54941	3.6
441.18942	3.8
447.09332	100.0
448.09460	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	483.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	9.9
59.01252	28.8
59.81329	1.9
67.01798	1.8
68.99695	3.2
69.03320	3.0
69.26299	11.0
69.26726	10.4
71.01255	35.2
71.67698	1.8
72.99190	9.3
73.02823	4.3
75.00751	21.5
78.79510	2.1
78.79973	2.4
81.03321	3.0
81.97203	1.9
83.01247	2.8
83.04897	39.5
85.02821	32.7
87.00753	43.5
89.02325	11.1
95.01285	7.3
98.20592	4.8
99.00754	11.1
99.04397	11.3
103.00285	2.7
108.02060	2.2
109.06492	6.0
113.02328	47.7
113.34668	2.1
115.00254	3.9
117.01804	3.9
129.01862	5.7
151.07608	2.7
152.03595	1.9
153.09113	3.5
163.08211	2.0
171.10216	7.7
175.02388	3.7
192.71448	2.1
197.08167	4.1
207.05070	2.5
215.09175	6.3
231.05054	2.5
249.06146	89.9
250.06473	3.8
257.37125	2.3
261.04276	1.9
267.07199	100.0
268.07587	5.7
337.07782	16.6
468.43314	2.5
483.16718	24.7
484.16794	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16451	1.2
59.02842	1.1
59.45238	1.1
69.28503	13.2
78.95779	60.0
79.06757	1.2
87.83036	1.2
91.15602	1.0
96.96863	6.1
101.92899	1.1
150.97896	1.2
152.99496	100.0
153.99837	2.1
171.00566	17.3
196.50291	1.2
198.46609	1.2
227.03278	8.9
245.04292	76.5
246.04655	2.2
253.21709	53.0
254.22105	3.1
356.64618	1.2
481.25735	78.6
482.25928	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	481.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98481	0.8
63.65533	0.8
70.00694	4.8
70.42183	0.8
78.95781	47.3
85.94158	0.9
96.96847	3.8
101.28390	1.0
152.99501	60.3
153.99805	1.1
171.00583	17.7
227.03253	4.0
245.04315	100.0
246.04546	1.3
253.21738	62.5
254.22122	4.2
381.90533	0.9
481.25766	29.7
482.26108	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
57.03137	0.5
57.03330	5.8
58.00474	0.7
59.01257	14.2
59.56252	0.7
61.62654	0.6
61.98720	0.7
68.99683	0.6
71.00848	0.7
71.01255	28.3
72.99185	4.3
73.02839	5.3
75.00752	29.1
78.95775	1.8
83.01269	4.4
85.02832	35.8
85.99948	0.7
87.00756	9.2
89.02335	4.4
91.00524	0.7
95.01269	2.8
97.02841	0.9
99.00761	10.6
101.02326	9.8
103.00237	1.1
107.88564	0.6
109.08704	0.6
111.00764	1.1
111.01982	0.7
112.01508	0.9
113.02338	30.8
114.02608	1.0
115.00253	2.6
117.01845	1.8
121.08930	0.7
123.04409	0.6
129.01852	1.1
152.99489	2.5
153.01851	0.8
157.01366	1.4
161.04437	2.0
175.02426	4.2
209.11700	0.9
211.13304	0.8
234.42250	0.6
257.33350	0.6
305.19714	2.6
332.27567	0.8
421.21069	1.1
463.21939	1.1
471.14218	0.6
481.22913	100.0
482.23346	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52205	0.9
60.58647	1.1
70.01073	4.0
78.95775	35.0
79.69239	1.0
96.96849	2.4
133.76767	1.0
152.99495	51.0
164.47528	1.0
171.00575	14.6
227.03265	2.2
245.04300	100.0
246.04579	2.6
249.46555	1.1
253.21712	69.7
254.22145	4.4
481.25772	31.7
482.26224	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
57.73021	0.4
59.01258	2.1
68.24539	0.4
69.03323	1.3
71.01258	7.3
71.57641	0.4
71.58035	0.4
72.99197	0.8
73.02828	2.1
73.24522	0.4
75.00742	0.7
78.95782	0.5
79.11768	0.4
81.03339	1.6
83.01291	0.8
85.02822	5.0
85.98922	0.4
87.00771	0.8
88.60848	0.4
88.64737	0.4
89.02330	0.8
91.61666	0.4
93.03334	0.8
95.01250	3.0
99.00765	1.1
101.02320	1.7
105.01812	1.3
108.02057	67.1
109.02849	42.8
109.04395	0.4
110.03179	1.2
113.02306	2.9
113.05976	0.8
115.14790	0.4
117.01843	0.4
118.66570	0.4
121.02807	0.9
123.00777	2.6
123.04406	0.7
125.02332	1.0
134.34743	0.5
135.00728	0.4
139.11169	1.8
147.02908	5.4
149.02278	0.5
151.03960	0.7
152.01059	64.2
153.01852	17.3
154.02170	0.4
161.04486	0.8
163.03868	1.5
165.01833	1.4
183.10268	2.2
224.84256	0.4
225.04132	0.6
315.07190	3.1
410.11926	0.6
481.17126	100.0
482.17517	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03653	2.6
56.58288	3.3
57.39816	2.6
58.00469	5.5
59.01253	100.0
60.48159	2.6
69.42548	4.7
69.42960	23.4
71.01254	76.8
72.99190	9.2
74.47213	2.3
75.00741	14.7
79.15371	2.8
83.01274	6.3
85.02826	24.5
87.00738	6.1
89.02318	80.6
93.03331	3.4
95.01284	8.6
101.02328	30.8
108.02042	4.9
113.02345	34.5
119.03389	21.8
119.04881	6.9
123.04399	3.6
124.01519	4.1
131.03406	3.7
134.03638	23.3
136.01561	58.4
137.02281	2.8
137.73532	3.2
149.02306	4.0
149.04512	3.4
149.05963	14.2
151.03915	52.9
152.01059	7.5
153.01773	7.0
163.03897	7.7
179.05566	7.3
185.06061	2.9
185.13307	3.0
191.05676	3.1
197.06033	8.3
209.06046	17.5
225.05525	11.2
236.04709	3.7
237.05565	48.9
238.06256	17.5
251.07059	5.6
252.07918	42.4
253.05034	38.7
253.08377	10.1
254.05251	3.3
267.07031	3.7
268.07419	37.9
269.07855	3.1
283.09747	81.1
284.10037	7.6
387.62869	3.0
426.97202	2.7
481.19250	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	481.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22145	4.6
59.01251	30.7
65.00194	12.5
67.01755	4.5
68.99679	4.2
71.01247	20.5
83.01261	12.7
85.02828	11.3
87.00747	9.1
89.02323	11.0
91.01783	6.6
93.03345	8.7
95.01257	17.8
98.19765	10.5
99.00756	18.3
107.01260	14.0
109.02850	27.3
109.99960	6.0
111.00759	37.1
117.03307	5.8
119.01266	6.5
121.02817	8.2
123.00754	27.1
124.01568	5.5
125.02333	28.0
127.00226	13.4
133.02858	13.6
135.00696	10.9
136.98668	6.8
137.02327	44.0
137.99373	3.9
139.00259	42.0
141.01801	7.4
145.02849	10.2
147.00714	6.3
147.04401	8.0
148.01527	12.9
149.02322	15.4
151.00249	35.2
151.03844	4.7
152.01035	12.9
153.01851	15.1
153.09952	3.9
153.92557	3.8
154.99802	48.5
156.00267	4.9
159.04404	18.4
161.02361	16.9
163.00266	15.7
163.03876	14.5
164.00999	7.4
164.98232	10.4
165.01801	19.0
165.98975	14.9
166.99760	44.7
169.01335	9.4
171.04494	8.4
173.02348	11.9
174.03090	6.1
175.03899	12.9
177.01770	24.2
177.99020	5.1
178.99812	39.8
180.00249	5.3
181.01405	25.8
181.98511	10.0
184.00073	14.6
185.00854	5.8
185.02396	8.5
187.03928	22.9
189.01846	20.2
190.99681	5.1
191.03439	8.8
192.00642	6.3
193.01341	12.1
194.99286	25.9
195.02879	6.4
201.01895	15.5
202.02652	7.9
203.03426	23.4
205.01331	19.2
206.99313	10.0
207.03006	7.6
208.00061	5.8
209.00809	11.0
213.01854	12.1
214.02780	6.2
215.03467	22.8
217.01311	10.5
218.01888	6.3
219.02887	12.0
225.59862	4.5
229.01430	13.2
230.02065	13.2
231.02995	28.7
232.03607	5.2
233.00880	8.6
233.04555	9.4
241.01289	7.3
243.02928	21.5
245.00848	10.0
247.02376	12.6
248.03166	8.1
249.04065	6.0
257.01001	5.8
258.01706	10.4
259.02512	54.6
261.03976	15.0
271.02521	16.5
274.01227	6.4
275.02005	33.9
276.02475	10.4
277.03409	5.2
285.00354	11.9
286.01163	5.0
287.01974	100.0
299.01962	6.1
300.02725	23.3
301.03470	22.5
303.01636	27.4
304.02298	10.0
305.02954	19.5
312.99823	15.7
315.01547	34.9
325.05585	15.3
327.07172	9.3
330.00018	4.7
331.01001	69.8
331.04715	8.8
341.04910	9.1
345.04575	39.0
349.01929	10.0
394.13583	4.6
407.05902	22.0
409.07700	11.7
433.07639	12.1
437.07339	12.2
448.06198	13.9
463.04797	22.8
481.05341	53.7
481.19415	5.4
481.26489	8.4
482.07202	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	479.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.8
57.03302	0.4
57.80057	0.4
58.00473	0.6
59.01253	100.0
60.01593	1.1
60.14928	0.4
61.98707	0.4
71.01258	16.3
72.99177	0.7
73.02818	7.5
78.95769	0.4
83.01263	2.6
85.02830	4.6
87.00781	1.0
88.94813	0.4
89.02317	8.4
89.02834	0.7
95.01289	1.1
97.02879	0.4
98.19801	1.5
99.00761	0.5
101.02326	10.2
101.83927	0.3
103.30400	0.4
113.02335	8.2
118.50977	0.4
119.03401	4.3
131.03412	1.0
143.03471	0.9
149.04480	0.9
161.04495	2.2
179.05508	2.1
211.13477	0.5
275.20322	0.6
311.10226	0.4
311.22189	0.5
344.52142	0.4
385.09326	0.4
408.31586	0.4
419.24576	1.3
437.25577	1.3
479.26929	1.0
504.54605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09882	4.5
59.01243	28.2
65.00190	12.3
68.99689	7.5
69.03341	6.9
69.98785	27.1
71.01251	17.1
75.00758	6.7
83.01233	11.5
85.02809	5.3
89.02323	19.0
93.03322	6.8
95.01263	19.2
99.00720	25.2
107.01258	13.2
108.02084	5.2
109.02835	42.2
110.00008	7.6
111.00774	28.9
113.02313	9.0
117.03318	8.4
118.97974	5.8
119.01251	5.5
119.04940	5.8
121.02879	9.5
123.00809	24.4
123.04395	5.2
124.98752	10.4
125.02312	15.4
127.00266	7.6
133.02855	7.4
135.00758	9.5
136.98711	8.0
137.02332	20.4
139.00287	45.3
145.02835	10.8
147.00829	5.3
147.04375	10.6
148.01564	14.4
149.02284	18.6
151.00275	52.6
152.01031	11.1
153.01833	13.8
154.99733	47.4
159.04433	9.1
161.02354	14.6
161.04541	6.9
161.05927	5.0
163.00255	9.8
163.03906	7.5
164.01173	5.2
164.98204	11.5
165.01810	21.4
165.99010	9.9
166.99779	41.6
168.00420	6.8
169.01300	8.6
171.04428	7.3
173.02383	7.5
174.03148	9.0
175.00240	5.3
175.03885	14.1
177.01814	27.5
178.99850	29.7
181.01355	22.2
181.98549	5.5
183.13770	4.8
184.00096	17.4
185.11765	6.4
187.03920	23.8
189.01874	14.1
190.02428	5.8
190.99712	6.7
191.03351	15.8
191.05333	7.3
192.00494	6.8
193.01295	16.3
193.98575	6.4
194.99352	35.8
198.03059	5.6
199.03870	10.1
201.01871	16.9
202.02570	6.7
203.03456	33.8
205.01411	13.8
206.99193	5.8
207.03082	5.6
208.00081	7.8
209.00836	9.9
213.01868	17.5
215.03490	23.7
217.01347	11.3
219.02951	14.3
221.00845	7.0
229.01408	7.1
230.02225	11.3
231.02992	38.7
233.00905	7.5
233.04526	8.8
241.01385	6.6
243.02956	30.5
245.00911	11.5
247.02411	6.8
248.03075	8.1
249.03911	9.6
255.03056	10.3
257.00858	10.7
258.01691	11.6
259.02475	53.9
259.90659	5.6
261.00320	6.9
261.03995	19.8
269.00879	13.4
271.02457	14.1
274.00995	9.5
275.01965	34.0
277.03577	13.8
285.00400	16.3
285.04025	4.7
287.01984	100.0
288.02374	8.0
289.03555	5.2
299.01675	8.2
300.02744	9.5
301.03494	18.7
303.01370	39.8
304.02084	10.8
305.03049	24.5
312.99884	15.7
315.01392	36.7
316.02051	6.1
325.05594	9.0
327.07254	11.1
330.00098	6.9
331.00943	63.8
341.05124	7.8
345.04626	36.5
348.00974	8.9
349.01791	13.3
349.05637	13.6
363.16544	16.4
407.05991	24.4
437.07159	5.6
463.05118	14.9
481.05652	52.0
481.22495	9.0
482.06625	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	479.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85619	0.6
57.03319	1.6
58.05310	0.6
59.01255	31.9
61.98702	7.5
63.02282	0.8
65.00210	0.9
71.01257	21.4
71.57648	0.9
71.58073	0.8
72.01637	0.6
72.99189	2.5
73.02812	3.2
75.00752	3.8
78.95798	0.7
83.01264	3.3
85.02831	7.5
85.07710	0.7
87.00791	3.3
89.02324	10.0
93.03360	3.0
95.01279	2.9
99.00789	2.7
99.08046	1.5
101.02324	11.7
107.01289	1.7
108.02066	1.2
109.02847	2.2
109.99944	0.6
111.00797	1.0
113.02333	9.4
113.09608	0.8
119.03430	2.9
119.04961	2.2
121.02879	0.8
123.00804	1.4
124.01552	3.6
125.02385	1.6
133.02893	1.1
135.00972	0.6
137.02345	6.1
139.00275	1.5
139.03952	1.4
145.02910	4.2
145.03888	0.7
149.02435	1.2
151.00287	4.6
152.01051	1.8
153.01868	1.1
159.04408	0.8
160.01645	0.8
161.02419	1.3
161.04475	1.0
163.00299	1.3
163.04007	1.3
164.01112	0.8
175.52574	0.6
178.99791	3.9
187.04051	1.1
191.05501	0.7
193.01334	0.9
196.65631	0.7
199.03908	0.7
203.03473	0.9
211.17032	0.9
214.06300	0.7
215.03607	0.9
217.01567	0.9
219.02905	0.7
227.03510	1.3
229.14455	1.4
231.03047	1.0
232.03824	1.6
233.04626	1.3
237.14996	0.7
237.18694	2.3
239.16502	10.3
240.16872	1.0
241.05070	0.8
243.02992	1.9
245.04596	0.7
249.06108	0.7
253.05089	2.0
255.19661	10.9
255.22115	1.2
256.20139	1.2
257.17584	31.8
258.18045	2.0
259.02457	0.8
261.04050	0.9
269.04538	0.7
270.02359	1.5
270.05319	25.7
271.02600	4.8
271.05771	2.7
273.12585	0.8
284.03210	0.8
285.04523	1.2
285.07684	23.3
286.08212	2.4
287.02017	3.9
288.02725	1.0
289.03613	1.2
297.00269	0.9
299.01974	4.3
300.02628	0.8
301.03653	0.7
315.01529	4.9
316.02359	1.8
317.03189	2.1
317.19852	0.9
332.01843	1.2
401.22256	1.0
417.24869	5.4
419.22870	27.2
420.23465	2.9
461.07355	1.3
461.23831	5.9
479.09320	6.7
479.25238	100.0
480.25623	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	479.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.9
59.01212	0.8
71.06644	1.9
74.70451	0.7
78.95779	12.3
81.49673	0.7
83.04906	1.5
99.08009	2.5
110.98425	9.9
113.09590	2.5
125.09672	1.2
129.09094	2.8
139.11154	1.7
152.99457	1.3
163.11215	1.4
167.01097	4.8
167.14290	0.9
169.12265	2.0
171.10228	4.4
181.12256	2.4
183.13777	1.8
185.02144	9.1
193.12274	2.1
197.11725	5.3
199.13373	3.4
204.89323	0.7
211.13341	13.0
212.13734	1.0
249.22169	1.3
265.21964	1.0
293.21231	31.3
294.21616	2.4
311.22275	100.0
312.22601	9.9
317.51419	0.8
325.81927	0.8
430.16644	0.8
479.24185	31.7
480.24399	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	479.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.4
59.01232	0.9
65.02361	0.5
67.60781	0.5
69.54196	1.6
69.54608	2.5
78.95777	14.1
83.04886	1.4
83.79084	0.5
90.33508	0.5
91.76463	0.6
97.02814	0.7
97.06434	0.7
99.08038	2.5
104.97398	0.6
107.59346	0.6
110.97667	0.6
110.98413	11.9
111.08048	1.1
113.09612	2.5
123.08076	0.7
125.09628	0.7
129.09129	2.4
139.11162	2.2
150.71133	0.5
151.11174	1.0
152.99504	0.9
153.12836	0.5
163.11186	0.7
165.12778	1.0
167.01076	6.7
167.10741	0.9
167.14299	1.0
169.12279	1.4
171.10196	7.7
181.12302	1.8
183.13748	1.9
185.02155	7.2
193.12222	3.2
194.34837	0.6
195.13803	2.4
197.11775	5.4
198.12204	0.9
199.13336	2.8
207.13866	0.5
209.11769	0.6
211.13344	11.8
212.13667	0.8
227.12860	0.6
249.22224	1.0
261.28882	0.5
275.20041	1.2
293.21231	17.1
294.21890	1.2
311.22284	100.0
312.22601	9.7
479.24167	30.9
480.24680	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	479.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75687	1.0
59.01248	3.3
70.15982	4.7
71.01251	1.5
77.03099	1.1
78.95789	25.8
83.39601	1.1
95.13766	1.2
98.20509	1.3
110.98428	19.2
149.06053	1.0
152.99504	2.3
167.01067	13.5
167.14323	4.1
171.10101	2.2
181.12276	2.1
183.13835	3.3
185.02148	4.7
195.13850	12.2
196.14337	1.4
197.11913	1.4
211.13420	7.6
213.14748	1.5
242.15236	1.5
251.57625	1.1
267.23236	1.4
269.79187	1.2
291.19757	1.3
293.21210	8.9
311.22305	100.0
312.22687	9.5
336.98431	1.3
384.63528	1.3
479.24210	43.7
480.24637	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	479.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.0
57.03329	2.0
59.01256	20.8
69.03323	1.1
71.01265	12.4
71.04881	2.7
72.99172	3.4
73.02817	3.4
75.00753	3.8
81.03360	0.8
83.01247	1.9
83.04903	1.1
85.02827	7.3
87.00738	3.5
89.02316	7.5
93.03348	2.7
95.01258	1.6
97.02830	4.6
97.06462	1.6
98.19797	2.9
99.00767	21.7
101.02329	7.7
102.43336	0.8
108.02039	1.9
109.02853	8.3
109.06502	1.6
111.00742	1.0
113.02348	7.1
115.00289	1.1
119.03330	1.0
121.02804	1.0
123.00763	1.0
123.04334	1.0
123.08076	1.7
124.00621	0.8
124.01558	0.9
125.02323	1.1
125.09630	6.0
134.03629	1.4
137.02303	1.7
142.02588	1.7
148.04054	1.0
150.03148	1.8
151.00261	3.0
152.01076	1.9
153.00848	0.9
153.01862	10.4
161.04448	1.6
163.00311	0.9
163.10014	1.1
163.11224	10.0
164.11607	0.8
165.05511	1.2
171.10231	1.1
173.04422	1.9
175.02295	0.8
177.51453	0.8
178.99684	2.8
181.10779	1.4
181.12285	19.7
189.09862	0.8
191.05486	3.5
195.06563	0.9
199.03885	1.0
199.13322	12.8
207.10233	30.4
208.10596	2.0
225.11285	48.0
226.11540	2.6
229.14302	1.1
243.12355	34.2
244.12752	2.6
253.09212	3.2
271.02435	1.2
299.01932	1.0
316.02026	2.3
317.02924	3.3
317.16049	2.9
380.42471	1.0
479.08188	5.2
479.21265	100.0
480.21634	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	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.3
57.03326	5.6
58.00465	1.1
59.01252	26.3
67.01761	0.8
69.03306	1.2
71.01254	32.1
72.99182	5.9
73.02814	2.0
75.00749	36.1
78.95769	2.5
83.01259	2.6
84.02051	0.4
85.02826	36.7
86.03143	0.9
87.00753	10.0
89.01817	0.8
89.02326	9.6
93.03334	0.9
95.01259	4.3
97.02815	0.9
99.00766	10.3
101.02325	6.9
103.00255	0.8
111.00822	0.6
112.01536	0.7
113.02338	34.5
114.02662	1.0
115.00288	3.0
117.01840	2.3
119.03391	3.2
119.04875	0.5
125.02352	0.7
129.01855	1.0
131.03374	1.4
143.03391	0.6
145.02888	0.6
152.99493	1.6
157.01341	1.4
165.01834	0.5
173.04491	3.2
175.02396	4.0
179.05693	0.5
183.13855	1.0
184.14169	0.9
185.14473	0.8
188.49817	0.5
191.05507	1.0
206.95332	0.5
211.13380	0.7
273.02328	0.5
275.16510	0.5
299.01813	0.6
300.02924	0.6
361.18680	0.7
386.91083	0.5
419.19379	1.0
461.20093	0.9
479.21307	100.0
480.21695	13.6
502.20657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19022	3.3
57.03320	11.7
58.00474	4.5
58.34904	3.9
59.01250	100.0
68.51764	4.1
69.03313	7.4
71.01260	63.5
71.57203	5.5
72.99191	19.7
73.02812	8.8
75.00746	16.1
81.03330	5.2
83.01271	4.8
83.04901	11.8
85.02819	26.8
87.00761	13.7
89.02316	40.2
93.03355	3.9
93.61996	3.4
95.01259	8.5
95.04907	6.7
97.02826	6.9
97.06518	4.6
99.00785	7.6
99.04396	6.2
101.02330	36.4
108.02081	10.7
109.02824	13.2
113.02321	34.9
119.03375	17.4
119.04911	19.4
123.00723	4.9
123.04404	3.9
123.08044	4.7
125.02329	10.9
125.05988	5.9
125.09650	3.4
129.01862	4.6
134.03630	4.7
139.07628	4.9
141.01796	4.6
141.05544	7.0
149.02330	4.4
151.00307	11.1
152.00992	10.5
152.99524	3.6
153.01851	10.4
161.02330	3.9
161.04453	6.2
163.03947	18.0
163.11230	8.0
164.04445	3.7
167.07002	8.7
173.04485	4.5
175.11220	9.1
178.99867	7.8
179.05595	9.9
181.12212	4.0
185.11871	3.7
186.06506	3.1
193.04921	5.1
193.12259	7.1
197.11786	4.6
199.13332	9.8
207.10263	15.8
225.11273	21.5
227.03447	4.1
243.12306	11.6
245.04587	6.4
267.07370	5.1
270.05322	13.7
271.02466	9.9
285.07733	8.9
289.03604	7.6
299.01959	15.6
299.11316	21.2
315.01422	9.4
316.02081	7.1
317.02972	5.4
333.56549	5.0
347.13565	5.7
387.16690	10.7
461.07138	6.2
479.08002	7.6
479.21710	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57893	0.7
59.01260	7.3
61.98706	6.3
65.00215	4.3
71.01255	2.1
72.36967	0.7
78.95782	3.0
85.02837	1.6
89.02338	1.3
90.54195	0.6
93.03351	2.8
95.01275	3.9
97.02851	1.4
97.14974	0.8
98.19778	1.8
101.02327	1.6
107.01281	4.5
110.98442	1.8
119.04927	100.0
120.05254	3.7
121.02889	1.0
123.00784	19.0
124.01651	1.6
125.02368	1.1
137.02336	2.5
145.02826	0.8
149.99507	22.0
151.00307	8.4
151.03941	6.4
152.99492	1.5
161.02296	1.2
164.01018	0.9
168.00581	1.8
169.01347	10.6
169.06514	2.8
169.12248	0.7
172.10608	0.6
176.04639	0.8
177.01880	1.4
179.03445	1.7
181.08620	0.7
185.02194	1.4
194.05774	1.9
197.06012	1.3
197.11754	2.2
198.12131	1.8
209.08182	1.5
211.13373	1.6
225.05591	6.0
226.06192	0.7
241.05103	2.6
269.04581	66.1
270.05322	46.6
270.08353	0.8
271.05692	4.2
289.03741	0.8
291.19797	1.5
292.20026	2.7
293.20428	1.3
309.20901	2.4
310.21072	4.4
311.21356	3.8
327.52438	0.9
479.23318	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.2
65.00197	1.9
68.13549	0.8
69.39777	6.5
71.01239	1.5
71.41795	0.7
73.02831	0.7
83.01251	1.0
84.93764	0.8
90.51729	0.8
95.01248	2.5
101.02348	0.9
107.01266	2.5
108.02074	4.5
109.02844	4.8
109.99999	4.5
111.00761	2.7
121.02817	0.8
123.00742	3.7
124.01542	2.5
125.02298	1.5
135.00824	0.9
136.98694	0.9
137.02362	0.8
137.99467	1.9
139.00258	4.2
151.00276	7.1
152.01062	7.0
153.01875	1.8
158.03693	0.9
161.02480	1.0
163.00275	3.0
163.03909	1.0
164.01047	2.9
165.01820	1.5
165.98930	4.4
166.99724	2.9
170.69012	0.9
171.04427	1.4
171.71570	0.9
173.02359	1.3
174.03148	1.1
175.04015	1.0
178.99792	8.6
179.03444	0.8
183.04448	1.1
187.03941	3.0
189.01883	1.3
194.99246	0.9
198.03168	1.3
199.03943	3.5
201.01782	1.6
203.03458	3.5
204.04204	0.8
205.01231	0.8
206.99345	1.4
207.10242	1.1
211.03951	1.0
213.01701	0.9
214.02637	2.7
215.03430	4.6
215.87308	0.8
216.04172	0.8
225.02071	0.8
225.11198	2.2
227.03458	4.8
229.01396	1.7
231.02896	2.9
232.03622	1.6
241.01382	1.6
242.02179	4.2
243.03035	9.0
244.03560	1.7
245.04543	1.3
255.02927	4.3
258.67789	0.8
259.02457	4.7
260.03113	1.0
269.34680	0.7
270.01697	6.1
271.02499	29.4
272.03085	8.2
273.04153	5.6
287.01978	12.0
288.02637	7.1
289.03229	1.5
298.01123	1.3
299.01956	25.3
300.02399	2.4
301.03754	1.0
315.01498	2.5
316.02219	51.1
317.02960	36.4
318.03329	2.7
343.06732	2.2
435.09052	1.6
461.07263	1.7
479.08313	100.0
480.08652	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	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	4.0
63.02261	1.1
65.00199	3.2
68.99691	1.5
71.01255	2.4
83.01275	1.5
91.68011	1.0
95.01273	4.6
99.00779	1.9
107.01273	4.3
108.02073	3.0
108.27561	1.0
109.02827	6.0
109.99976	9.6
111.00765	6.8
121.02838	1.2
123.00773	5.7
124.01534	4.0
125.02325	4.7
133.02878	1.3
135.00755	2.8
136.98663	2.9
137.02344	3.7
137.99503	3.5
139.00262	10.4
146.03589	1.4
148.01521	1.7
149.02312	3.3
151.00279	15.6
152.01064	9.9
153.01852	2.6
159.04399	2.6
161.02309	2.3
163.00224	5.6
164.01054	3.0
165.01816	1.3
165.99001	8.7
166.99731	5.4
171.04411	3.0
173.04477	1.8
174.03093	2.4
175.03862	2.5
178.99782	14.3
183.04376	1.6
185.02258	2.0
187.03922	5.2
189.01901	2.4
190.02551	1.1
191.05489	1.3
192.00577	1.4
192.05762	1.6
193.01349	1.5
197.02498	1.3
198.03120	2.3
199.03954	5.6
199.13373	1.4
201.01833	4.0
202.02527	2.1
203.03375	5.0
205.01477	1.7
206.99367	1.2
211.03954	1.4
213.01830	1.9
214.02641	5.8
215.03468	6.4
216.04108	1.5
225.01649	1.3
226.02585	1.8
227.03439	9.1
228.03854	1.4
229.01353	2.5
231.02901	3.5
232.03635	1.7
241.01428	2.9
242.02187	8.7
243.02957	13.0
244.03685	2.2
245.04472	1.5
255.03008	7.3
259.02393	7.9
260.03207	2.0
270.01636	9.1
271.02478	53.3
272.03091	10.0
273.04068	5.3
287.01981	23.2
288.02628	8.8
289.03192	1.4
298.01196	3.6
298.98688	2.2
299.01974	39.8
300.02408	4.8
315.01535	4.2
316.02206	89.5
317.02945	48.3
317.06100	0.7
318.03458	5.6
332.01770	9.0
333.02386	2.8
435.09064	1.5
461.07074	2.6
479.08279	100.0
480.08521	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	479.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36753	1.1
59.01254	3.1
63.02264	3.0
65.00204	4.9
68.80229	1.3
69.40872	11.8
81.03386	1.6
83.01276	4.0
85.02822	2.0
89.69247	1.2
95.01270	4.0
96.99168	1.4
101.02356	1.3
106.00501	4.4
107.01295	7.3
109.02850	15.9
109.99954	2.1
111.00780	10.6
123.00758	8.6
124.01552	3.0
124.98748	3.0
125.02368	5.0
133.02856	3.9
135.00809	2.0
136.98677	2.4
137.02324	3.1
139.00308	11.7
141.01881	2.8
143.04955	2.3
145.02869	1.9
148.01620	1.9
148.98723	2.2
149.02322	3.2
149.99509	8.2
151.00293	25.5
152.01109	2.1
153.01894	6.9
154.99747	2.6
159.04431	4.3
161.02354	3.7
163.00299	2.3
164.01100	1.9
164.98189	2.6
165.01915	2.2
165.99016	3.5
166.99823	6.1
168.00581	11.8
169.01318	4.0
171.04446	3.0
173.02368	2.3
174.03212	1.9
175.03931	6.1
177.01917	3.6
177.98978	8.4
178.99805	42.9
180.00342	2.0
181.01379	3.7
185.02391	1.6
187.03880	8.7
189.01808	4.9
189.05522	2.5
190.99814	1.7
191.03436	2.9
192.00523	1.6
193.01382	3.3
194.99338	6.2
197.00908	2.5
199.03995	4.6
201.01892	3.1
203.03403	9.6
204.03954	2.0
204.97772	3.3
205.01419	3.7
205.05003	2.5
206.16458	1.4
207.02922	3.2
215.03485	8.2
217.01343	4.0
217.04948	3.9
218.02087	1.4
219.02972	3.8
222.98813	4.1
227.03448	1.3
229.01389	3.5
230.02252	1.5
231.02975	4.1
232.03716	11.3
233.04518	16.1
243.02925	11.1
244.03233	2.0
245.00908	3.3
245.04552	4.1
246.01605	1.3
247.02396	4.3
253.01250	1.2
257.00922	2.5
258.01743	1.9
259.02530	6.4
260.03036	2.7
261.04120	9.9
269.01001	2.3
271.02466	18.0
272.02820	2.5
286.01175	3.7
287.02017	39.6
288.02594	9.1
289.03500	10.7
297.00470	3.9
299.02121	3.4
300.02515	1.9
301.03232	2.0
304.02377	2.0
305.03363	1.8
314.00735	2.1
315.01486	100.0
316.01886	11.4
332.01657	12.8
333.02478	15.0
339.07220	4.8
343.06763	9.5
358.58755	1.5
379.10364	4.8
407.10037	2.7
435.09326	2.6
451.08722	1.6
461.06976	7.3
479.08191	42.0
480.08563	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	479.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29296	1.0
59.01247	6.8
61.20106	1.0
62.27531	0.8
63.02252	1.8
64.18604	0.8
65.00198	8.9
65.97321	0.9
67.01749	0.9
68.99671	1.4
69.03278	0.9
71.01262	5.4
71.58147	1.7
73.02819	1.9
74.02326	1.6
75.00719	2.1
76.24084	1.1
83.01235	3.7
85.02810	2.9
89.02295	1.8
91.29491	1.0
93.03347	5.4
95.01276	5.3
96.99171	1.0
97.02834	1.5
98.35055	1.0
99.00740	3.1
101.02312	2.2
107.01281	7.2
108.02020	3.4
109.02799	4.3
109.99979	2.2
111.00764	13.2
113.02322	1.9
117.03315	4.0
119.04946	1.2
120.11937	1.1
121.02791	2.1
123.00793	5.9
123.04408	1.3
124.01522	3.1
125.02376	6.2
130.92630	1.1
131.04871	1.0
133.02803	3.6
135.00742	2.0
135.04382	2.1
136.98686	2.2
137.02396	4.9
139.00287	16.8
141.01762	1.7
143.04878	3.6
145.02843	6.3
147.04382	1.2
149.02304	2.9
149.99437	3.2
150.99141	1.5
151.00278	24.9
151.03812	2.4
152.01056	5.9
153.01788	4.4
154.99692	2.7
155.04886	2.7
157.02780	1.5
159.04402	6.4
161.02301	4.0
163.00215	4.5
164.00989	4.1
164.98140	2.9
165.01773	2.4
165.98892	1.4
166.99721	3.5
168.00485	4.6
169.01341	5.2
171.04413	9.1
173.02289	2.0
173.05940	1.5
174.03064	2.9
175.03825	3.4
177.98938	3.4
178.99780	22.5
180.00134	1.9
183.04347	2.7
187.03940	6.8
188.04572	2.5
189.01749	3.3
189.05487	2.4
190.02553	2.1
190.99753	1.6
191.03424	2.5
192.00516	3.4
193.01288	3.1
194.99232	2.9
197.00775	1.0
198.03038	1.4
199.03944	8.2
201.05447	1.0
202.02600	1.3
203.03410	5.0
205.01300	1.2
205.04944	1.3
206.99214	2.9
208.00005	2.3
209.00768	2.7
211.03929	1.6
213.01770	1.3
214.02571	3.9
215.03404	8.8
216.04048	2.3
217.01326	3.0
217.05028	17.1
219.02887	1.7
225.11229	2.1
227.03448	7.8
229.01242	2.2
229.04884	1.7
231.02849	6.1
232.03627	3.5
233.04459	2.5
241.01378	2.0
242.02235	5.5
243.02937	14.9
243.12172	1.8
244.03474	2.6
245.00838	2.0
245.04527	8.5
255.02922	9.7
256.03281	1.3
258.01501	1.3
258.99872	1.3
259.02448	14.6
261.04092	2.1
269.00931	1.4
270.01660	6.0
271.02490	52.0
272.02856	10.6
273.03293	9.6
275.01907	1.1
283.02249	2.9
284.03009	2.7
285.03867	4.4
287.01971	19.4
288.02646	5.8
289.03589	9.3
297.00250	1.9
298.00848	1.8
299.01959	55.8
300.02411	11.9
301.02820	11.7
302.03073	3.1
315.01270	11.4
315.04980	3.4
316.02234	36.7
316.05423	3.2
317.02744	20.5
317.05728	4.6
318.03024	1.5
332.01459	2.3
333.02466	1.2
359.06082	2.3
371.06149	1.5
371.64087	1.1
379.10397	8.9
435.09161	2.8
451.08560	4.2
461.06976	3.8
464.08615	2.4
479.08154	100.0
479.21136	8.9
480.08435	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	477.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20465	0.3
55.01767	0.6
57.03313	1.0
58.00463	0.7
59.01255	16.6
71.01260	11.8
71.01661	0.5
71.45083	0.5
71.45425	0.5
72.99195	1.1
73.02811	1.7
75.00744	0.4
78.95775	2.2
83.01254	1.0
85.02828	3.8
87.00751	1.0
87.67800	0.3
89.02332	6.8
95.01279	1.0
97.02862	0.3
99.00751	0.9
101.02333	6.5
109.49513	0.3
110.98415	0.4
113.02341	3.0
119.03399	1.7
125.09594	0.6
127.11156	0.8
127.99895	0.3
141.12746	1.0
143.10681	0.5
152.99464	2.6
155.10715	0.9
167.01105	0.5
171.10170	3.1
171.13838	0.4
201.11241	0.4
209.11847	1.8
211.13338	0.7
228.61421	0.3
234.73244	0.3
247.20734	0.4
265.21689	0.4
279.23233	1.9
291.19714	1.2
295.22803	0.5
297.24368	9.7
298.24664	1.0
301.03769	0.5
309.20743	2.0
313.23938	2.8
315.04922	0.3
315.25415	31.2
316.22275	0.6
316.25677	3.2
351.56647	0.4
459.29355	0.8
477.30719	100.0
478.31085	14.4
478.37991	0.8
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	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
51.81668	0.3
71.37989	0.6
78.95780	100.0
96.96853	8.1
140.01120	0.4
152.99495	17.0
153.99861	0.4
171.00557	17.8
214.04898	0.3
219.59129	0.3
266.34491	0.3
281.24982	0.3
300.00464	0.3
372.95267	0.3
404.25497	1.3
478.29398	54.2
479.29736	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	477.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81414	0.9
52.45965	0.9
52.66422	0.8
59.01253	16.9
69.03322	3.8
70.02050	3.6
74.65290	1.0
78.95782	22.4
80.02531	1.4
83.04877	1.9
90.68170	0.9
95.04933	1.5
97.02824	9.4
97.06448	1.1
98.19887	1.6
99.72012	0.8
110.98421	18.6
111.08037	9.6
119.08612	2.0
125.09621	2.7
137.09627	3.1
153.12669	1.7
163.11174	2.7
165.12770	6.3
167.01047	8.2
169.12216	4.3
171.10191	8.7
179.10637	1.2
179.14320	1.0
181.12257	2.9
183.13831	1.4
185.02158	13.6
185.11754	1.9
193.12363	2.9
197.11780	46.4
198.12115	2.8
199.13211	2.1
209.11797	3.6
211.13350	7.9
227.12830	5.4
247.20630	4.4
263.20181	2.1
267.02951	1.8
273.18634	2.5
291.19666	66.3
292.20053	6.4
309.20712	100.0
310.21149	11.4
343.24985	3.7
477.22589	49.8
478.22891	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	477.2862
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
55.01752	0.8
57.03325	1.8
57.83772	0.7
59.01252	5.0
65.03848	0.9
69.03364	1.5
71.01244	1.1
71.04866	1.7
81.03344	2.0
83.04898	8.6
85.06458	2.4
87.48959	0.8
88.04273	0.8
91.03895	1.1
91.05418	1.2
93.03352	0.9
95.04904	2.1
97.06473	3.3
98.19756	1.7
99.08058	0.8
105.06976	0.7
105.94541	0.7
107.04910	1.3
107.08546	1.4
109.06481	4.9
111.04393	0.7
111.08048	7.7
119.04916	2.4
119.08595	0.7
123.08055	2.7
125.09625	7.6
127.11179	1.8
133.06465	1.5
133.10101	0.9
134.45534	0.7
135.08061	2.1
137.09642	2.4
139.84456	0.7
140.32137	0.8
151.11243	1.5
153.09134	1.1
171.10191	100.0
172.10506	3.7
175.11255	0.9
185.11777	1.5
187.14824	2.6
189.12776	1.0
193.12207	1.1
203.14363	1.2
205.15837	4.8
207.20505	0.7
209.11800	8.5
211.11435	1.4
211.13336	11.4
213.12755	1.5
215.14377	2.0
221.15388	4.7
229.26726	1.0
231.13873	9.8
232.14328	1.0
233.15425	11.0
235.13409	1.5
239.16464	0.9
241.25749	0.7
247.17070	1.9
249.14948	53.4
250.15311	3.3
251.16533	1.1
263.16730	0.8
271.17023	1.7
305.17606	2.6
313.25241	0.9
323.18518	1.2
323.23941	1.1
331.26358	1.3
341.24835	2.8
357.24445	2.0
359.25998	2.7
367.22781	3.1
375.25446	4.7
385.23898	14.7
386.24081	2.3
403.24896	17.5
404.25446	2.5
441.26480	2.2
449.29102	1.5
459.27530	36.8
460.28125	4.5
469.66296	0.8
477.28601	37.4
478.28934	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	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	4.1
57.03327	5.5
59.01252	75.8
60.14076	2.9
69.03338	3.9
69.77673	20.9
71.01261	70.8
72.20758	2.7
72.99178	7.7
73.02821	9.6
75.00771	7.1
83.01259	5.3
83.04865	3.7
85.02827	28.8
87.00747	7.5
89.02322	41.2
93.03340	3.6
98.19866	3.9
99.00732	2.9
101.02355	15.1
108.02106	5.7
113.02319	14.4
117.61687	2.9
119.03415	6.6
121.02847	4.1
121.10099	7.7
128.03445	3.7
130.34445	2.7
131.03381	6.4
141.37357	2.7
151.00282	3.3
161.04480	11.7
163.03937	4.7
165.09154	6.7
173.04474	5.7
191.05544	16.4
193.01292	3.2
199.35954	2.8
201.11331	3.2
209.11760	3.8
213.14952	11.0
215.03397	4.0
225.11241	5.5
233.06705	4.5
241.14436	34.5
243.02971	6.0
246.79857	3.0
253.09410	5.0
255.12561	4.1
271.02490	44.7
287.01978	14.8
299.02002	39.4
300.02640	20.5
314.04285	12.0
315.01614	2.6
315.05063	51.5
315.14517	100.0
316.05310	4.2
316.14844	11.2
329.15930	5.1
462.08179	9.8
477.10352	34.0
477.19095	15.9
478.20062	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	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41604	0.4
55.01762	1.2
57.03313	2.4
59.01249	12.1
67.01752	0.9
68.99683	0.9
69.03326	1.1
69.22982	2.8
69.23406	3.3
71.01253	15.4
72.99180	5.5
73.02821	1.5
75.00750	13.9
81.03278	0.6
83.01299	0.7
85.02824	15.5
87.00746	4.9
89.02320	2.8
95.01253	3.7
97.06473	0.5
98.19778	1.2
99.00757	7.7
103.00237	1.6
111.00760	1.0
111.08041	0.5
113.02329	16.7
115.00267	2.2
117.01841	2.2
122.16048	0.6
129.01849	1.4
157.01370	1.6
157.08551	0.6
165.12752	12.1
166.13065	0.6
168.04196	0.6
174.54698	0.6
175.02441	3.7
183.13828	84.0
184.14142	5.2
195.97008	0.6
205.07068	1.0
209.11766	3.0
227.12840	6.8
231.04971	0.8
249.06126	11.8
267.07227	11.8
301.16571	6.7
315.04553	0.6
415.19727	8.6
416.19873	0.7
417.17618	0.9
433.20389	0.9
459.18637	3.8
477.19757	100.0
478.20084	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.7
57.03317	3.3
58.00462	1.1
59.01254	19.9
61.98679	0.5
67.01766	0.7
68.99685	0.5
69.03325	1.1
71.01257	21.3
72.99186	5.7
73.02818	1.7
75.00744	14.6
83.01267	1.3
85.02828	22.6
87.00755	7.8
88.98667	1.3
89.02316	6.0
93.03341	1.7
95.01253	4.0
98.20584	1.0
99.00751	9.0
101.02336	2.7
103.00268	2.3
111.00784	1.4
111.08047	1.3
112.01568	0.6
113.02334	27.1
115.00277	2.3
117.01827	1.9
119.04946	0.7
129.01825	1.9
137.02336	0.8
139.03847	0.7
145.02795	0.5
152.99504	0.5
153.01842	0.9
157.01294	1.7
157.08629	2.0
161.04530	0.8
163.03935	0.7
165.12773	12.4
165.73053	0.5
166.13139	0.7
173.04504	3.4
175.02420	3.2
181.12173	0.7
183.13834	72.9
184.14142	4.4
191.05711	0.7
193.03500	0.9
205.07082	1.5
207.05064	1.1
209.11816	1.7
216.32986	0.6
227.12798	6.1
229.64378	0.6
231.05130	1.1
249.06175	7.6
267.07233	26.5
268.07748	0.8
271.02829	0.7
273.06848	0.7
300.03040	0.7
301.16580	6.4
315.05182	1.5
315.14343	0.5
319.08337	1.4
331.14090	0.7
415.19772	6.0
416.20270	1.1
417.17798	0.8
433.20685	1.3
459.18625	3.4
460.18707	0.6
477.19769	100.0
478.20197	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	477.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
55.49731	1.1
57.03310	3.5
59.01254	5.9
69.03327	2.0
69.33654	12.6
71.01253	2.9
78.95779	24.8
81.03326	2.3
83.01260	4.8
83.04890	3.7
95.04910	2.9
97.06457	1.7
109.06452	1.4
110.98419	21.1
111.08046	10.0
123.04446	1.8
123.08049	1.5
125.09618	6.8
132.59419	1.1
135.08124	1.8
137.09639	2.5
139.11168	3.9
141.09111	1.4
149.09634	1.2
151.11166	3.0
152.99466	2.9
159.45770	1.2
163.11192	5.5
165.12750	8.7
167.01082	8.0
167.10651	5.3
167.64009	1.3
171.10156	3.4
173.65028	1.1
177.12758	1.2
179.10696	2.6
179.14323	1.4
181.12331	6.1
185.02142	16.2
191.10699	4.7
193.15962	2.3
195.13846	7.1
205.12201	2.8
209.11777	51.8
210.12042	2.4
211.13388	3.3
223.13367	13.9
247.20621	8.1
265.21658	3.5
273.18604	3.7
291.19678	100.0
292.19989	10.5
309.20728	37.0
310.20947	4.1
327.82672	1.3
385.23776	1.8
391.15204	4.7
420.01566	1.3
477.22592	16.2
477.28598	1.5
478.23264	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	477.1612
Annotation	Rhyncoside C
Peak:m/z	Relative Intensity
55.01743	2.0
58.00467	1.0
59.01252	12.5
61.03310	0.8
69.62330	6.9
71.01258	28.4
72.70849	1.1
72.99206	1.5
73.02817	9.1
74.43024	0.9
75.00729	3.3
83.01249	2.4
85.02821	12.0
88.98653	1.5
89.02324	8.3
95.01261	1.5
97.02803	0.9
99.00758	16.6
99.11295	0.9
101.01722	1.0
101.02325	16.7
109.99945	1.7
113.02332	15.4
125.02296	3.1
131.03377	1.7
137.99432	2.5
143.03349	3.4
143.04388	1.1
153.01843	78.5
154.02159	4.0
159.02826	2.6
161.03224	1.8
161.04466	28.5
162.04736	1.2
168.04198	100.0
169.04553	4.9
173.04526	1.1
183.06555	95.4
184.06905	4.4
188.55981	1.0
191.05542	5.3
205.03358	1.6
331.13696	1.7
331.17764	1.1
345.11725	4.1
459.64392	1.0
477.15988	37.1
478.16510	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	477.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.8
59.01253	15.6
60.01554	0.4
60.99165	0.5
61.98687	0.7
67.01768	2.7
69.03323	0.6
71.01251	5.6
71.57718	0.6
71.58111	0.5
73.02829	0.6
75.00751	1.2
78.95769	1.1
81.03324	0.8
83.01268	0.6
83.04902	1.0
85.02814	2.2
87.00761	0.5
89.02336	0.7
93.03343	17.1
94.03696	0.6
95.01260	0.5
99.00735	0.7
101.02328	1.4
109.02834	1.0
111.00788	0.9
111.04415	4.5
113.02342	1.6
117.03340	0.6
119.03379	0.4
119.04939	1.2
123.17655	0.4
127.03892	0.5
133.02812	0.5
135.04391	0.4
137.02336	5.1
145.02841	1.8
147.04416	0.4
151.00304	0.6
152.99458	1.2
153.01862	0.5
155.03429	4.0
157.08620	23.4
158.08919	0.8
163.03908	0.9
164.07097	1.4
165.07440	1.5
171.10258	0.4
173.04485	100.0
174.04808	3.2
175.04059	0.5
191.05540	1.8
198.19566	0.3
209.11797	1.0
211.13400	0.8
239.03552	0.6
255.02888	0.4
267.02975	0.5
269.04565	1.3
271.02576	1.2
272.02924	0.7
297.04077	1.3
298.04758	0.6
299.02060	0.8
299.05545	0.4
300.02823	1.6
301.03488	0.7
315.05084	2.0
319.08203	2.6
331.13989	36.3
332.14392	3.8
378.48575	0.4
405.55814	0.4
476.22467	0.5
477.09622	1.3
477.23178	4.3
477.29343	0.6
478.23337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.8
55.31673	2.0
57.03312	6.0
58.00451	3.6
59.01252	79.0
69.03323	3.6
70.35004	5.7
71.01257	85.5
72.04405	2.1
72.99191	6.5
73.02818	11.8
75.00751	4.3
83.01268	8.5
85.02826	33.7
85.31874	2.3
87.00771	7.6
89.02319	49.7
89.02832	3.8
93.03353	10.2
95.01241	4.1
99.00768	9.5
100.88029	2.0
101.02316	20.2
113.02320	20.3
116.92767	2.3
119.03357	3.7
119.04901	3.8
121.02860	4.0
121.10127	8.6
125.02359	2.8
128.03465	2.2
131.03354	10.4
137.02379	3.4
145.02786	3.1
149.02306	2.7
149.04462	5.6
151.00276	4.4
160.03947	3.5
161.04460	8.6
163.03883	2.9
164.11227	2.1
165.09152	5.0
169.12236	24.2
172.08929	2.1
173.04533	11.2
178.99759	2.3
179.05530	2.7
183.10197	2.2
191.05542	38.8
191.07133	3.5
197.11797	27.0
198.06720	2.7
198.12048	2.4
211.13351	2.2
213.14914	9.8
215.03314	3.6
219.76208	2.3
223.13301	2.6
225.11206	4.6
233.06618	2.5
241.07385	16.2
241.14392	26.4
242.08049	19.1
243.08994	13.9
253.09280	9.2
287.02051	4.8
297.13220	2.1
299.01877	5.3
300.02850	3.5
314.03879	2.3
315.01788	3.9
315.05084	6.2
315.14484	100.0
316.14844	7.6
337.09140	4.8
348.17532	2.3
377.14658	38.0
378.14822	3.0
387.11993	6.7
467.37610	2.3
477.20575	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	477.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83504	2.4
57.03310	2.9
59.01239	7.7
59.96777	2.6
61.67050	2.6
70.06735	5.5
70.07151	11.1
71.01257	29.5
72.99173	6.0
73.02829	4.0
75.00752	32.6
81.03197	3.0
85.02823	25.1
87.00747	10.5
89.02312	3.6
92.76262	2.6
95.01280	5.9
98.20503	3.6
99.00774	15.9
101.02319	6.4
113.02335	25.8
115.00291	3.8
123.00779	16.1
124.01573	40.3
125.02364	3.0
138.01871	6.6
138.03122	6.5
139.03928	22.4
157.01346	3.5
173.04362	3.2
175.02444	6.6
208.98138	2.9
214.23778	2.5
242.81673	2.5
277.05670	4.3
315.07016	2.8
477.12488	100.0
478.12961	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	477.1407
Annotation	Phloretin 2'-O-(6''-O-acetylglucoside)
Peak:m/z	Relative Intensity
52.89188	0.5
55.01768	0.7
57.03329	2.1
58.27591	0.6
59.01255	18.7
61.98708	0.9
65.00191	1.6
67.02956	0.5
68.99672	0.6
69.03347	0.7
69.56728	4.8
71.01256	8.6
72.99185	2.0
73.02834	2.7
75.00753	2.1
78.95736	0.9
81.03334	12.6
83.01258	5.5
85.02813	4.2
87.00755	1.6
89.02321	4.6
92.67111	0.5
93.03349	8.9
95.01283	1.7
95.04924	1.0
97.02830	1.1
98.02314	0.6
98.19755	0.8
98.71898	0.7
99.00765	2.4
99.04380	0.9
101.02322	4.2
107.01281	1.8
108.02044	1.5
109.02842	1.1
111.04396	1.1
111.58432	0.5
113.02361	5.5
114.02721	0.7
119.03454	1.4
119.04911	11.3
120.01147	0.7
120.05297	0.7
121.02841	0.7
123.04412	31.6
124.01599	0.8
124.04717	0.7
125.02345	14.2
134.03624	1.0
135.04416	17.8
137.02263	1.1
143.03505	0.8
145.02866	1.4
147.04440	2.3
149.02359	2.8
149.04506	1.1
150.03008	0.7
151.00294	3.8
152.01059	1.7
152.99557	0.6
153.01787	0.6
155.03365	0.9
157.08641	1.5
161.04456	1.4
163.03931	2.3
165.12810	1.1
167.03418	78.3
168.03760	3.6
169.20944	0.6
172.67914	0.5
173.04495	2.9
175.03951	0.6
178.99811	0.8
179.03424	8.7
180.03934	0.8
181.05032	1.2
183.13866	3.5
183.44321	0.6
189.05547	1.6
191.03391	0.7
191.05524	1.1
199.03850	0.8
211.07408	0.6
227.03738	0.8
227.12984	0.7
229.08684	0.8
233.06764	1.1
243.03011	1.9
249.06090	0.8
254.01907	0.7
255.02972	4.4
255.06758	1.0
267.07181	1.8
271.02515	9.9
272.03149	1.4
273.07687	100.0
274.08035	8.8
287.01859	0.7
299.02002	3.4
300.02750	23.1
300.55133	0.6
301.03281	3.3
314.04019	0.9
315.01367	1.2
315.05054	19.4
315.08716	6.7
316.05362	1.4
319.08313	1.1
345.19000	1.2
477.09616	3.7
477.19589	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01201	1.9
59.01460	0.7
62.29539	0.7
69.30759	7.7
71.01214	1.6
73.02779	1.3
82.20758	0.7
85.02772	1.5
87.38578	0.7
101.02271	1.2
108.01958	0.9
119.04851	0.9
120.40555	0.7
133.02818	1.6
139.64236	0.6
151.00186	3.0
159.04454	0.7
161.02292	1.0
163.00240	1.1
163.69363	0.7
169.01363	0.8
171.04372	1.8
175.03854	2.3
178.99724	2.2
187.03801	1.6
189.01721	0.8
197.11693	1.3
199.03970	5.7
201.01831	2.5
215.03319	3.2
226.02615	2.5
227.03391	3.4
242.02159	1.3
243.02937	10.3
244.03218	1.1
254.02089	1.6
255.02895	2.9
259.02472	1.3
270.01678	1.8
271.02481	84.6
272.02829	9.0
285.04068	1.8
287.01950	2.4
299.01959	100.0
300.02682	32.2
301.03183	2.8
303.01486	1.7
312.99890	1.1
314.04373	3.8
315.05093	76.4
316.05426	6.3
329.16107	0.9
331.00873	2.9
332.01718	1.0
357.06189	1.2
446.96771	0.7
462.08051	19.9
463.08578	3.3
477.10519	68.6
477.19946	4.2
478.10950	9.4
478.20755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.119
Annotation	Phelligridin F
Peak:m/z	Relative Intensity
50.12641	0.8
59.01252	14.5
61.98704	1.4
62.26838	0.8
66.46703	0.8
66.62324	0.9
68.91905	0.8
71.01258	4.2
72.99183	1.0
75.00742	1.7
78.95776	2.1
85.02831	3.2
87.00758	1.2
89.02354	1.2
91.01759	5.6
98.19721	1.5
101.02332	1.0
104.02582	2.2
113.02319	2.2
123.12193	0.8
127.71053	0.9
132.02075	7.6
133.02859	39.7
134.03186	2.0
135.00797	8.5
137.02286	0.9
152.99503	3.0
153.01857	8.7
173.04474	5.2
201.05530	2.6
209.11809	1.8
211.03955	3.4
225.05524	2.1
227.03459	2.9
239.03476	63.5
240.04182	22.6
241.04836	2.4
267.02988	86.7
268.03741	80.7
269.04538	100.0
270.04984	7.5
271.02548	3.0
299.02020	2.7
300.02682	2.3
301.03406	1.0
315.05087	3.9
331.13928	2.7
418.08755	0.9
459.10779	2.9
477.11777	6.4
477.26343	1.7
478.11578	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44763	0.2
55.59489	0.3
56.06659	0.2
58.06373	0.3
59.01254	2.6
68.48785	0.3
71.01252	1.5
73.02805	0.4
83.01248	0.4
85.02834	0.6
87.00764	0.3
89.02320	0.6
93.03332	0.3
98.20541	0.8
99.00797	0.3
101.02328	0.8
107.01257	0.7
108.02055	1.0
109.02830	0.3
113.02325	0.7
119.04916	0.4
125.02334	0.4
145.02815	0.4
148.01639	0.8
151.00273	2.2
153.01816	0.3
155.04962	0.3
163.00314	0.4
163.03918	0.3
166.27843	0.2
167.56477	0.3
178.99844	0.5
183.04326	0.4
183.13777	0.7
187.03966	0.4
192.00604	0.3
199.03993	1.4
211.03949	0.4
215.03409	0.3
216.04181	0.6
220.68629	0.3
226.02705	0.7
227.03487	2.1
228.03964	0.3
229.30988	0.3
243.00459	0.5
243.02956	8.0
244.03505	0.7
249.06049	0.4
254.02148	1.8
255.02974	20.6
256.03302	1.7
267.07358	0.4
271.02484	40.9
272.02911	4.1
299.01990	10.4
299.04840	0.2
300.02747	100.0
301.03122	9.2
314.04269	0.3
315.05106	85.2
316.05435	7.6
462.08081	1.4
477.10382	24.0
477.18781	1.0
478.10779	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	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	3.1
69.03328	1.7
71.01254	2.0
73.46912	0.4
75.00744	0.8
76.80371	0.4
81.03343	0.5
83.01282	1.4
85.02830	0.7
95.01259	1.5
96.08301	0.5
97.02859	2.1
98.19666	0.9
101.02349	0.4
107.01247	1.1
108.02023	0.9
109.02840	1.3
117.03347	3.8
119.04922	4.7
121.02839	0.6
123.00792	6.4
123.04391	0.5
124.01569	14.8
125.02348	29.2
126.02699	1.0
137.02350	1.6
145.02867	14.3
146.39183	0.5
149.99500	24.5
151.00275	3.7
153.01811	0.7
159.04536	0.8
161.02350	1.2
163.03902	2.8
167.03471	0.5
168.00562	40.1
169.01361	8.5
173.02449	0.6
175.03935	0.6
178.99811	0.8
191.03435	0.5
197.11880	0.6
199.03911	1.3
201.01871	1.3
203.03392	0.8
215.03481	1.9
227.03439	1.4
230.18677	0.5
242.02170	4.9
243.02965	15.0
244.03217	1.0
249.06056	0.6
255.02966	0.8
257.04602	3.0
259.02515	0.7
270.01685	5.0
271.02469	15.9
272.02936	2.0
285.04053	7.7
286.04861	3.0
287.01965	2.3
299.01886	4.3
300.02686	3.0
301.03387	1.4
307.08188	1.3
312.99930	0.6
313.05865	3.0
314.04282	16.1
315.01483	1.2
315.04999	4.9
329.16232	1.2
331.01047	1.1
331.06735	16.3
332.06970	1.4
362.21024	0.5
459.09415	1.2
477.10403	100.0
478.10727	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	475.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	1.0
56.17217	0.9
57.03316	1.1
59.01252	100.0
60.01574	1.2
62.79051	1.0
69.42779	1.0
71.01251	4.8
72.99173	5.2
78.95775	4.3
85.02825	2.8
89.02308	1.7
91.03874	4.3
97.06484	2.3
99.00757	1.5
101.02323	3.4
107.11956	1.2
110.98405	2.0
113.02308	1.3
119.04870	0.9
125.09552	1.9
131.34555	1.1
137.02345	1.2
137.09570	1.4
163.11266	1.4
167.01044	1.8
171.10129	4.7
171.27202	1.0
175.13422	1.0
185.02112	2.8
185.11723	2.0
193.12300	1.3
209.11801	7.3
225.14859	2.5
243.16052	1.7
245.19241	2.7
255.02908	1.1
256.03561	1.0
284.02975	1.0
289.18100	14.9
290.18503	1.6
307.19159	5.7
341.23300	37.8
342.23654	3.3
400.41995	1.2
475.08630	1.1
475.21329	5.1
475.28745	5.3
476.29745	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	476.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64801	0.5
59.01258	0.6
67.39230	0.5
69.41390	4.7
78.95782	96.8
96.96849	7.5
113.10484	0.5
115.52282	0.5
140.01083	1.7
152.99504	17.0
153.00754	0.9
168.27119	0.5
171.00565	16.9
172.00941	0.6
196.03754	1.0
214.04803	4.0
279.23312	100.0
280.23636	8.5
402.24194	1.2
476.27856	56.4
477.28134	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	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30400	0.3
64.65131	0.4
69.32613	4.0
72.58261	0.4
78.95780	100.0
82.77723	0.4
83.35146	0.4
83.50475	0.4
96.96841	8.7
98.19794	0.7
127.15544	0.3
140.01027	0.6
152.99500	17.3
163.47951	0.3
171.00563	19.6
175.79950	0.4
190.45377	0.4
205.38165	0.4
214.04907	0.6
275.49435	0.3
402.24030	1.8
476.27841	65.3
477.28168	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	477.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.2
57.03340	0.3
59.01255	5.2
60.01588	0.3
61.24615	0.2
71.01263	2.6
71.45102	0.4
72.99183	0.2
73.02823	1.0
83.01260	0.5
85.02837	2.1
87.00756	0.7
89.02333	0.6
95.01279	0.4
99.00762	0.9
101.02324	1.3
102.02670	0.2
103.02783	0.2
107.01302	0.3
108.02035	1.0
113.02333	1.7
114.02625	0.2
119.03404	0.5
119.04920	1.0
124.01540	0.2
135.00775	0.4
148.01530	1.3
151.00313	1.0
157.01447	0.2
161.04477	0.4
163.00246	0.5
163.03935	0.6
164.01057	0.6
173.04472	0.3
192.00566	0.3
199.03952	0.3
211.04016	0.3
215.03421	0.4
216.04214	0.5
226.02658	0.7
227.03508	1.3
229.01401	0.2
243.02988	7.3
244.03537	0.9
254.02245	1.7
255.02974	20.0
256.03293	1.3
271.02484	43.6
272.02930	4.2
279.79831	0.2
299.01920	1.9
300.02747	96.3
301.03131	7.6
309.20435	0.2
315.05109	100.0
316.05417	9.7
339.04108	0.2
477.10358	1.2
477.19751	4.7
477.30466	0.4
478.20114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
57.03329	2.7
58.00468	1.2
59.01252	100.0
60.01593	0.7
69.03329	1.2
69.38364	3.5
71.01257	27.7
71.04913	0.5
72.99186	1.1
73.02819	22.2
74.03156	0.5
75.00753	0.9
81.03343	0.6
83.00800	0.7
83.01259	5.8
83.04898	0.4
84.49537	0.5
85.02821	8.4
87.00771	1.3
89.02322	14.3
90.02694	0.5
95.01276	2.0
97.02831	1.1
97.06461	0.7
98.92409	0.4
99.00774	1.7
101.02329	25.2
105.07050	0.6
113.02332	16.0
119.03387	6.4
119.04925	0.4
125.02370	1.1
125.09718	0.4
131.03392	2.1
139.11180	0.4
143.03430	3.3
149.04485	2.1
155.03404	0.4
159.02953	0.6
161.04459	8.1
179.05533	4.1
195.13799	4.6
203.05585	0.8
211.13405	0.6
221.06671	0.5
232.60506	0.4
233.10342	1.8
253.18134	3.8
267.07230	0.6
271.19171	1.5
280.66495	0.4
297.04114	0.8
415.23425	5.0
416.24066	0.9
433.24405	8.2
433.29889	0.7
434.24866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58614	1.1
58.78675	1.0
59.01252	100.0
63.06942	0.9
65.13324	0.9
67.75603	1.0
69.31211	2.9
69.31616	7.4
71.01258	3.8
71.28499	1.0
75.38005	0.9
78.95770	4.2
83.04883	1.4
85.02787	2.4
89.02296	1.4
91.03895	5.3
91.19736	0.9
97.06460	2.4
101.02340	2.0
109.06484	1.7
110.98430	1.4
113.02325	1.3
119.04884	1.1
119.08593	1.0
125.09629	1.9
145.02898	1.7
152.99434	1.1
163.11177	1.9
167.01028	1.5
171.10188	3.8
183.13840	1.1
185.11862	1.2
193.12248	2.2
201.56314	1.0
209.11758	17.6
225.14920	3.0
289.18106	10.7
290.18521	1.2
307.19199	2.5
313.03354	1.6
329.02893	1.1
329.15915	1.1
341.23318	37.6
342.23550	2.0
345.27780	1.3
401.22882	1.3
475.20639	2.9
475.27740	7.1
476.27414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	28.7
64.63754	9.7
69.42016	100.0
71.62055	10.2
78.95776	64.1
90.64305	11.4
95.13315	12.3
128.68651	12.0
143.04532	17.2
152.99420	18.0
255.68219	10.2
277.21576	21.6
279.23322	71.1
280.23947	17.4
316.71045	11.1
369.22635	11.8
475.26892	46.3
476.27548	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82766	0.4
55.01759	1.3
57.03325	2.1
58.00473	1.3
59.01255	100.0
60.01586	1.2
69.03327	1.1
71.01260	27.1
71.04914	0.7
72.01606	0.6
72.99190	1.6
73.02822	9.3
74.46854	0.5
75.00774	1.1
81.03361	1.3
83.01269	3.5
84.97704	0.5
85.02827	8.7
85.99985	0.6
87.00761	3.6
87.04398	1.2
89.02323	14.1
95.01269	2.8
96.00459	0.4
97.02858	1.4
98.20601	0.9
99.00753	2.5
99.04413	1.9
101.02328	18.8
101.05996	1.2
107.01262	0.7
109.02895	0.8
111.00765	0.8
113.02335	17.0
119.03411	5.6
119.04929	0.6
125.02357	3.1
125.09615	0.5
131.03412	1.7
137.02370	1.0
143.03403	3.6
145.04950	0.5
149.04482	1.1
151.00276	1.4
159.02882	0.6
161.04466	5.2
163.03938	0.7
163.11188	0.5
165.61874	0.5
177.01840	0.5
179.05513	3.9
181.12224	0.8
195.13832	3.3
205.03293	0.5
221.11938	1.1
225.11378	2.0
233.10236	1.0
239.12886	0.7
249.06163	1.0
253.18030	1.3
255.02850	0.5
271.19092	3.2
295.12009	0.9
295.15448	0.6
298.04443	0.6
301.03589	0.8
307.04691	1.0
313.03491	5.1
314.03787	0.7
315.18188	1.2
324.05045	0.8
325.05505	0.9
327.18362	1.0
342.05960	1.5
343.06647	0.7
343.17676	0.6
356.43024	0.6
367.30542	0.6
397.22455	0.7
415.23465	8.0
415.99606	0.5
416.23724	1.3
433.24539	5.8
475.10764	2.3
475.18307	3.1
476.18918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41465	7.4
59.01246	8.8
66.74480	7.1
71.01253	16.4
75.26955	7.4
78.95786	19.9
90.70634	6.5
104.83204	7.2
110.30825	6.5
116.14822	6.4
143.59219	7.7
171.17151	7.3
181.30450	6.6
277.21704	100.0
278.22070	7.5
279.23309	96.2
280.23666	11.4
315.16159	8.0
319.22818	15.2
401.23358	8.1
475.26257	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84161	7.6
59.01250	27.1
61.40112	8.1
62.35132	8.0
71.01290	10.1
71.71386	10.2
71.86917	8.9
73.02794	9.2
78.95779	40.5
80.38741	8.5
82.05085	7.9
96.92349	7.9
115.89666	8.2
120.58419	8.7
123.82935	8.2
151.25366	8.3
152.99475	19.0
177.61894	9.8
221.15317	16.3
263.16501	10.1
277.21603	16.1
279.23306	92.3
280.23560	16.9
331.47836	8.2
339.23209	15.5
383.22095	15.9
401.23276	37.2
475.26956	100.0
476.27463	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	475.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76281	1.2
57.03323	4.9
59.01250	11.1
69.03349	1.6
71.01259	2.0
73.02799	1.1
78.95316	1.2
78.95780	25.0
80.02538	1.1
80.23183	1.1
81.03323	6.6
83.01261	9.7
83.04906	3.3
85.02836	1.4
95.04894	5.3
96.28410	1.0
97.02858	5.1
97.06468	7.2
101.02316	1.2
109.02852	1.3
109.06489	3.3
110.98419	21.6
113.05997	1.9
119.08584	1.7
121.06477	2.1
123.04458	7.0
123.08042	3.5
125.09623	16.9
129.66101	1.1
135.08076	3.6
136.05238	1.5
137.09641	8.6
141.12746	2.5
142.02605	1.5
149.06030	2.7
149.09637	1.4
151.07513	1.2
151.11145	1.5
152.99484	1.6
155.20692	1.0
162.10361	1.5
163.07573	1.6
163.11203	15.7
165.09152	1.2
165.12775	3.0
167.01118	8.0
167.10732	2.4
171.10179	3.0
173.09682	1.2
177.09198	1.1
177.12820	1.4
179.10712	2.4
181.12239	2.7
185.00635	1.9
185.02150	22.7
185.11783	13.3
191.10704	3.9
191.14333	16.9
192.14722	1.4
197.11810	1.4
207.10213	10.3
209.11784	86.8
210.12079	6.6
211.13324	3.2
217.15952	2.0
219.13722	1.3
225.11328	9.5
226.11969	1.3
231.13826	2.1
245.19084	35.4
246.19516	3.1
263.20206	1.7
271.17010	3.5
277.31512	1.2
279.19647	1.7
289.18115	100.0
290.18484	11.0
307.19168	59.4
307.22110	1.1
308.19556	5.7
383.22314	1.9
384.46158	1.3
401.23257	4.3
475.10364	1.3
475.20944	35.5
475.27310	8.4
476.21274	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	475.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24875	1.4
55.01763	2.1
57.03327	6.6
59.01256	10.5
69.03341	2.9
71.01259	4.0
78.95775	29.7
80.02548	2.2
81.03333	5.2
83.01259	11.3
83.04910	4.1
84.02076	1.6
87.89471	1.3
95.04892	3.2
97.02834	4.0
97.06487	10.1
98.19749	2.4
106.04184	1.6
107.04910	1.4
109.02864	1.8
109.06441	1.5
109.42394	1.5
110.98421	26.4
121.06518	1.8
123.04440	8.2
123.08059	4.6
125.06004	1.9
125.09618	15.8
135.08076	3.1
137.09627	10.3
141.12875	1.6
141.19995	1.3
142.02657	2.7
149.06076	2.1
149.09641	2.8
150.10411	1.4
151.11205	4.8
161.07581	1.5
161.09645	2.0
163.11224	17.3
164.08360	1.6
165.12805	6.9
167.01047	8.4
167.10715	2.9
171.10275	1.9
179.10757	3.1
181.12254	9.0
185.02141	24.1
185.11740	11.9
191.10722	6.6
191.14314	17.8
207.10219	11.9
209.11766	78.2
210.12173	5.0
211.13400	1.7
217.15910	2.5
217.65599	1.4
225.11282	8.1
237.11275	1.7
238.12054	1.7
245.19067	40.4
246.19437	3.3
263.20334	3.7
271.16992	4.5
271.22937	4.8
279.19617	1.8
289.18103	100.0
290.18433	8.7
307.19186	60.6
308.19540	6.1
415.26831	4.2
433.28094	6.6
475.21051	43.2
475.28830	11.8
476.21436	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42517	9.4
59.01242	9.3
60.99171	18.7
63.13276	8.9
66.72767	10.1
69.94642	58.6
71.01252	36.9
72.99178	100.0
73.26208	10.5
75.00746	40.3
78.95741	10.5
89.02328	23.3
92.85560	11.9
103.00258	35.3
103.14911	10.8
105.88738	10.7
106.44568	11.0
115.00272	13.6
123.00730	11.7
133.01337	94.0
133.04964	45.4
143.70874	10.2
147.07704	10.3
211.60144	10.9
310.35617	11.6
319.37231	10.3
475.10590	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	475.1459
Annotation	METHOTREXATE SODIUM
Peak:m/z	Relative Intensity
50.36286	0.7
55.01757	2.1
57.03089	0.6
57.03329	4.9
58.00455	1.4
59.01255	18.5
68.99681	0.6
69.39063	0.7
69.87723	2.3
69.88132	1.4
71.01258	27.3
72.99183	4.9
73.02808	2.4
75.00746	24.3
83.01249	3.0
84.02048	0.7
85.02827	28.7
87.00750	6.7
89.02317	6.4
95.01280	2.9
98.19769	0.8
99.00738	6.7
101.02332	6.4
103.00243	0.9
113.02335	24.1
115.00261	2.7
117.01798	1.3
119.03384	1.6
119.04942	1.0
123.00786	1.2
124.01562	1.9
125.02357	1.1
139.03854	0.8
149.04462	0.7
157.01334	2.0
161.04492	0.7
171.03139	0.8
173.04485	1.2
175.02434	3.2
299.11462	2.6
394.47546	0.7
475.14581	100.0
476.15005	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	475.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03310	2.6
59.01253	19.6
64.95310	0.7
69.03305	1.0
70.48683	3.0
71.01256	26.1
72.99174	6.7
73.02813	3.4
75.00748	19.1
83.01259	3.6
85.02827	23.5
87.00752	8.2
89.02310	9.7
95.01279	2.2
97.02837	2.3
99.00763	8.5
101.02323	7.8
103.00261	1.4
107.04912	2.9
111.00777	1.0
113.02335	30.4
115.00274	1.9
117.01841	1.7
119.03378	1.8
119.04922	5.8
126.87474	0.8
129.01849	2.1
131.03395	3.9
131.04504	2.7
136.82690	0.7
137.02368	4.0
137.05965	1.8
139.03989	0.8
153.05591	0.9
157.01340	2.6
163.91838	0.7
173.04486	7.4
175.02383	5.1
191.05603	2.0
193.03471	3.2
200.11778	0.8
205.75830	0.7
215.05603	1.1
233.12051	0.8
235.04523	2.0
299.11429	2.2
320.49438	0.8
333.22772	0.8
337.07755	0.9
415.11871	0.8
457.13617	2.1
475.14578	100.0
476.14944	8.7
501.42685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19144	0.8
55.01744	2.3
56.64141	0.9
57.03326	6.9
58.00470	2.0
59.01254	21.5
68.99686	1.8
70.75927	2.1
70.76289	1.4
71.00852	0.9
71.01255	37.2
72.99184	8.0
73.02831	5.2
75.00751	34.6
83.01270	4.2
85.02828	38.9
86.03157	1.0
87.00755	10.0
89.02322	8.0
92.81199	0.8
95.01287	4.4
99.00764	10.2
101.02329	9.3
103.00243	1.2
104.67277	0.8
111.00742	1.0
113.02335	32.7
114.02632	0.8
115.00239	2.2
117.01794	1.7
119.03397	1.9
119.04890	1.5
123.00780	2.4
124.01547	1.0
127.47598	0.8
129.01839	1.1
131.03444	2.2
131.04466	1.1
138.03078	1.3
143.03418	0.9
152.01031	1.0
152.26868	0.9
153.19569	0.9
157.01340	2.8
160.03926	2.6
161.04407	2.1
173.04474	1.6
175.02394	4.4
257.06390	1.0
276.05475	0.9
299.11377	1.8
343.30542	0.9
475.14581	100.0
476.14951	9.4
502.09464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35665	0.8
55.19622	1.0
59.01254	47.6
69.24894	0.9
70.35975	3.6
70.50533	0.8
71.01250	7.1
72.12025	0.8
72.99184	2.4
73.02807	1.3
75.00762	3.2
83.31786	0.8
85.02830	4.9
87.00788	1.4
89.02320	2.6
95.01279	1.7
99.00789	1.4
101.02365	2.3
109.02840	1.7
113.02325	4.7
135.04431	1.0
146.03636	37.1
147.04004	1.6
149.02353	1.5
161.04619	1.6
161.05977	15.1
163.03966	1.2
164.04701	26.6
165.05069	1.3
179.07063	100.0
180.07364	5.6
249.06049	2.2
250.63336	1.1
267.07239	3.5
280.41162	1.0
316.48868	1.1
373.89188	0.9
422.93936	1.1
475.13937	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	475.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26126	0.4
57.03311	0.8
59.01255	30.1
61.14782	0.5
69.03339	0.6
69.72210	0.4
70.89584	0.8
71.01250	2.3
71.04903	4.3
72.99157	0.6
73.02773	0.5
78.95782	8.4
80.02544	0.8
81.03324	2.0
83.04897	1.9
85.02842	1.3
89.02326	0.7
91.03867	1.1
95.01278	0.6
95.04893	1.8
95.72864	0.4
98.03628	1.4
101.02340	1.0
106.04126	0.9
107.04912	0.6
109.06475	11.5
110.98415	7.9
111.04412	5.1
111.08031	1.0
112.05180	0.5
113.02354	0.7
116.67693	0.5
121.06487	0.5
123.08034	1.6
127.07558	1.9
135.08078	0.6
135.11757	0.5
137.05983	0.8
137.09622	1.1
141.09109	0.6
143.10638	1.2
145.02841	1.0
145.06470	1.9
149.09608	1.2
151.11166	1.1
152.99493	0.8
159.08041	0.5
164.08299	0.6
167.01019	2.6
167.10707	2.5
171.10185	0.7
179.10721	0.9
179.23399	0.4
185.02132	8.0
193.12413	0.5
195.13783	2.6
209.11755	2.9
225.14977	1.3
227.16379	1.0
229.16138	0.5
235.13356	1.3
245.19092	4.8
249.14922	0.8
251.16486	1.1
271.16974	0.8
287.16568	1.5
289.18097	100.0
290.18433	10.5
300.21561	0.5
307.19125	7.3
308.19589	1.0
341.23337	8.2
403.20804	0.4
446.98517	0.5
475.20975	18.8
475.27838	2.0
476.21289	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	475.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21022	0.2
59.01252	7.7
65.03823	0.6
69.40508	1.4
69.40919	0.4
70.28013	0.2
71.01257	2.1
73.02814	0.5
75.00731	0.3
76.48076	0.2
83.01263	0.6
84.92747	0.2
85.02811	0.8
87.00764	0.5
89.02319	0.9
93.03339	60.5
94.03665	1.8
98.19827	0.5
99.00764	0.4
101.02322	0.9
102.92667	0.2
113.02328	0.9
117.03357	0.3
119.03338	0.3
119.04908	0.9
123.04372	0.2
125.02298	0.2
130.60602	0.2
131.03409	0.2
132.02057	1.2
134.03644	3.5
135.04427	0.6
137.02351	100.0
138.02695	4.1
139.03903	0.3
141.06570	0.3
143.83232	0.2
145.02855	0.6
149.02275	0.2
149.06006	0.2
151.00313	0.2
152.01047	0.3
153.01872	0.6
155.10574	0.2
160.01579	5.2
161.02129	0.3
161.04449	0.3
163.03905	0.5
167.03419	2.1
175.03925	6.1
176.04338	0.3
177.01810	0.3
178.02504	0.2
179.03416	0.3
179.05579	0.2
193.05032	2.0
211.13489	0.2
221.11830	0.4
233.15427	0.3
239.12871	0.8
271.02393	0.3
271.06253	0.4
313.03494	0.7
337.09320	3.2
338.09454	0.3
415.23419	0.3
433.25262	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60949	0.1
57.03316	0.3
59.01254	2.7
63.02283	0.2
65.00199	1.5
65.21339	0.1
71.01328	0.7
71.01648	0.2
72.99218	0.1
81.03371	0.2
83.01257	1.8
85.02840	0.3
87.35096	0.1
89.02323	0.4
93.03344	0.9
101.02329	0.2
103.44863	0.1
105.03356	0.2
107.01289	2.1
109.02807	0.2
113.02332	0.3
117.03316	0.2
119.03415	0.2
119.04914	0.2
123.04454	0.3
124.01581	0.2
125.02346	4.9
131.01277	0.3
133.02872	0.9
137.02339	0.7
145.02876	0.2
147.04410	0.2
149.02370	0.2
151.00291	4.7
152.01019	0.4
158.22795	0.2
159.00783	0.6
159.04413	0.4
160.01572	0.6
161.02367	3.1
161.04460	0.3
162.02940	0.2
163.03773	0.2
164.01056	0.1
167.04955	0.2
169.06516	0.2
171.04536	0.2
173.05951	0.2
175.03937	1.4
177.01817	0.5
183.04431	0.3
185.02390	0.2
187.00328	2.8
188.01027	0.4
194.22371	0.1
195.04396	0.3
197.06012	0.2
198.03140	0.3
199.03929	0.8
201.01828	0.3
201.05429	0.2
203.03476	0.4
205.01372	0.6
208.57126	0.1
211.03937	0.3
213.05472	0.5
215.03471	0.2
217.05020	1.1
223.03944	0.5
225.05524	0.2
226.02693	0.3
227.03452	0.8
239.03474	0.8
241.05049	0.8
242.02122	0.2
243.03038	0.6
245.04497	0.3
251.03499	0.9
255.02858	0.1
256.03711	0.5
257.04443	0.5
267.03015	1.7
268.03268	0.3
269.04709	0.2
271.02481	0.2
283.02609	0.2
284.03275	0.5
285.04056	1.1
295.02487	7.5
296.02991	0.9
298.01114	0.3
312.02695	0.7
313.03549	100.0
314.03903	8.8
337.09442	0.2
339.07291	0.2
355.04657	0.2
475.08856	6.7
476.09137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62909	0.2
56.67473	0.2
57.03320	0.6
59.01255	3.7
65.00199	1.6
66.82237	0.2
69.56405	1.8
71.01263	1.0
73.02810	0.4
83.01274	1.7
84.00437	0.2
85.02836	0.2
89.02316	0.8
91.08312	0.2
101.02322	0.7
107.01280	2.8
113.02322	0.4
117.03352	0.3
119.03384	0.3
125.02348	4.7
132.02094	0.4
133.02884	1.2
147.04341	0.3
149.99522	0.2
151.00285	5.2
152.00841	0.3
159.00827	0.8
160.01515	0.8
161.02388	3.8
171.04408	0.4
175.03926	1.0
185.02313	0.3
187.00311	2.6
188.00969	0.3
189.41026	0.3
195.04477	0.3
197.02486	0.3
199.03925	0.9
201.02039	0.4
201.05450	0.3
203.03514	0.3
205.01364	0.6
211.03951	0.4
213.05460	0.7
215.03508	0.3
217.05066	0.9
223.04015	0.4
226.02750	0.3
227.03568	1.2
239.03508	0.7
241.05022	0.7
242.02272	0.2
243.03035	0.7
251.03387	1.2
255.02992	0.7
256.03763	2.7
257.04578	0.4
267.02979	1.9
269.04526	0.4
271.02402	0.3
283.02490	0.8
284.03336	2.5
285.03912	1.3
295.02481	11.7
296.02991	1.1
300.02853	0.3
311.02069	0.8
312.02783	6.1
313.03558	100.0
314.03934	8.1
357.35910	0.3
417.96536	0.2
459.86838	0.3
475.08859	26.4
476.09183	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.0
66.77221	0.3
69.38246	3.4
78.95779	53.1
79.85461	0.3
96.96834	3.7
122.00024	0.4
140.01094	2.9
152.99486	8.1
153.16945	0.3
171.00540	8.1
196.03711	1.3
210.03285	0.4
214.04836	4.2
223.81978	0.3
259.20557	0.5
277.21722	100.0
278.22076	11.0
316.24277	0.4
316.50415	0.5
400.22501	0.7
474.26245	32.1
475.26563	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	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.9
60.13644	0.3
69.68197	0.3
70.12561	0.4
70.86770	0.9
71.01273	0.4
78.95781	34.1
83.04868	0.6
83.79168	0.4
96.96869	1.1
104.03386	0.3
107.45761	0.3
122.00022	1.2
134.98503	0.4
140.01100	6.9
152.99481	3.0
166.19630	0.3
171.00562	1.1
192.86011	0.3
196.03748	14.1
197.04202	0.5
209.87196	0.3
214.04807	3.4
234.07912	0.4
247.13364	0.4
259.20740	0.4
275.20221	0.6
277.21735	100.0
278.18991	0.7
278.22070	10.7
401.23422	1.0
429.09076	0.4
457.26004	1.5
474.26273	28.6
475.26779	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	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65199	0.2
62.96280	0.4
67.72176	0.2
69.38011	0.4
69.38416	1.8
77.69991	0.2
78.95777	100.0
89.77220	0.2
96.96843	8.5
98.20594	0.5
140.01045	0.4
152.99490	17.0
171.00555	17.9
172.00851	0.3
172.54463	0.2
177.13586	0.2
206.46027	0.2
277.21765	1.4
388.80258	0.2
400.22440	1.8
401.22910	0.3
420.74997	0.3
474.26254	53.4
475.26602	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	475.0885
Annotation	5,7,2'-Trihydroxy-4',5'-methylenedioxyisoflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
59.01255	8.2
63.02291	0.5
65.00191	0.8
68.99699	0.5
69.24863	0.2
69.42842	2.3
71.00895	0.3
71.01264	3.7
72.99178	0.7
73.02844	1.3
75.00756	0.5
83.01266	1.1
85.02821	1.5
86.40547	0.3
87.00748	0.7
88.21008	0.3
89.02315	1.7
93.03345	0.4
95.01276	0.6
97.57493	0.3
99.00766	0.4
101.02322	2.6
107.01271	1.2
108.02065	0.7
109.99957	0.3
113.02340	1.8
113.08589	0.3
118.98221	0.3
119.03406	0.9
124.01545	0.5
125.02321	1.3
129.01811	0.9
130.06105	0.3
130.08675	0.6
132.02080	0.3
134.03732	0.3
137.02396	0.3
138.01904	2.7
139.02231	1.2
149.99524	0.6
151.00293	2.0
159.00710	0.3
160.01575	0.9
161.02336	0.9
161.04488	0.7
162.03111	1.6
163.00256	0.6
165.05492	0.5
166.02594	0.4
169.01369	0.3
181.05035	1.7
183.04488	0.7
186.03181	0.6
187.00284	0.5
188.01059	0.3
188.04704	0.4
195.04446	0.4
198.03133	0.3
199.03970	1.1
200.04654	0.8
205.01414	0.4
210.03160	0.5
211.03880	1.3
212.04732	1.9
213.01727	0.3
214.02658	1.2
215.03409	0.6
222.03174	0.4
223.04002	1.0
223.09714	0.6
227.03476	3.6
228.04156	1.4
235.09737	0.6
238.02699	0.7
239.03543	1.6
240.04289	3.4
241.01401	0.6
242.02061	1.2
243.02890	1.7
244.03868	0.3
251.03477	0.5
251.13071	0.3
255.02983	6.5
256.03760	12.7
257.04178	0.7
266.02206	9.1
267.02899	2.3
268.03738	0.8
283.02484	4.1
284.03262	8.5
285.03879	1.2
294.01724	10.7
295.02377	3.2
295.11948	0.9
297.00366	0.6
311.02026	3.3
312.02765	64.7
313.03360	11.5
313.10825	0.6
344.01663	0.6
345.15594	0.9
355.04517	0.7
358.41489	0.3
444.24829	0.4
474.25885	0.6
475.08820	100.0
476.09177	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	474.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.2
56.66333	1.1
57.03312	2.4
58.99469	3.4
59.01255	100.0
59.14640	1.0
60.01590	2.4
65.00208	3.1
65.99722	2.2
68.99689	1.7
69.56028	6.8
69.56448	2.1
71.01258	23.7
72.99163	2.5
73.02821	10.0
75.00755	6.2
76.90990	1.1
83.01275	4.4
84.94552	1.2
85.02831	8.6
87.00761	4.0
89.02330	9.5
93.03357	4.7
95.01276	4.0
98.20580	1.1
99.00771	4.3
101.02334	13.0
107.01269	5.6
109.02853	4.8
111.00800	2.4
113.02332	17.8
114.02663	1.6
115.00318	1.5
118.02914	1.9
119.03432	3.0
119.04926	4.0
121.02840	4.5
123.00764	3.6
123.04390	1.7
125.02341	6.0
128.18196	1.3
130.08754	1.2
131.03470	1.5
132.02083	7.7
133.02905	1.6
134.01468	1.3
134.02406	4.1
134.03470	1.3
135.11696	1.2
137.02341	15.5
143.03406	2.5
145.02808	1.2
149.02379	1.5
151.00287	20.8
152.01048	2.9
160.03996	1.1
161.02420	1.7
161.04474	4.0
162.01880	9.2
163.00287	3.6
163.02715	1.1
163.03888	7.7
164.01215	1.2
164.03427	15.1
164.04509	1.1
164.22403	1.3
169.01390	2.9
172.03989	1.8
177.01842	11.2
178.02232	1.2
178.99771	7.1
179.05612	1.4
179.10738	4.1
180.11017	2.1
183.04480	2.9
186.01932	9.7
187.03912	1.8
190.01431	3.4
192.00591	2.5
193.01341	1.5
201.05548	2.1
203.02155	2.8
204.02968	8.3
211.03983	2.3
213.05518	1.3
215.03369	1.6
217.53809	1.1
221.11873	1.4
226.02603	1.4
227.03430	7.6
228.04211	1.2
229.05011	3.4
230.00954	2.1
231.05219	1.3
234.14980	2.8
239.03497	2.0
241.05064	1.3
243.02927	2.2
245.04494	1.6
248.03085	1.1
249.06137	9.7
250.06694	2.5
254.04752	1.8
255.03008	19.3
256.03659	4.2
257.04639	4.1
259.02536	1.8
267.02789	1.6
267.07129	5.6
268.07632	3.3
269.04660	4.3
270.04221	4.4
271.02386	6.4
271.19302	2.2
272.03262	4.6
273.04050	4.0
278.04446	2.0
279.03012	8.7
283.02390	9.6
284.03183	8.2
285.03964	3.7
294.04156	2.0
295.02332	1.7
296.05957	1.6
297.04047	4.9
300.02603	8.3
301.03506	29.3
302.04114	2.3
305.03384	1.6
306.04028	12.0
312.05258	1.6
313.03494	17.6
323.04367	17.3
324.05099	31.3
341.05377	25.1
342.06018	12.7
343.06662	1.7
354.08334	6.9
380.06287	2.7
407.10062	1.5
415.23441	5.1
416.07651	1.9
417.08212	2.1
429.17514	2.4
430.18127	7.7
433.07727	14.8
433.24243	3.0
434.07892	2.6
456.09454	10.6
474.10580	53.9
474.17123	7.5
475.10660	7.0
475.17114	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88140	1.6
52.95221	1.4
53.61027	1.8
55.00337	1.8
59.01252	100.0
62.88073	1.5
63.28660	1.5
66.79434	1.7
70.77441	4.5
70.77795	1.6
85.88315	1.4
89.43787	1.7
97.95686	1.5
100.10374	1.7
100.45120	1.6
120.65033	1.4
127.31368	1.7
153.91628	1.7
155.91133	1.7
275.55960	1.7
331.17868	2.8
345.79929	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09734	0.2
57.03333	0.3
59.01255	100.0
60.01590	0.7
69.46618	0.2
71.01251	2.7
73.02825	0.8
75.00757	0.5
83.01276	0.4
85.02828	1.6
87.00771	0.4
89.02347	0.7
91.05589	0.2
99.00780	0.4
101.02342	1.5
113.02338	1.9
125.02386	0.3
141.80649	0.2
143.03433	0.2
145.33676	0.2
160.01550	0.2
161.04514	0.5
179.10675	0.2
180.06645	0.4
189.71608	0.2
205.30363	0.2
209.15495	0.3
218.88889	0.2
249.06221	0.5
267.07245	1.0
296.03464	0.5
311.05585	1.0
329.16208	0.6
353.19797	0.8
371.20828	2.7
413.21759	1.0
429.17877	0.3
473.16760	0.4
473.23761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
60.01598	1.3
60.35971	0.4
71.01270	1.5
71.38371	0.6
73.02849	0.4
75.00774	0.3
79.54177	0.3
83.01289	0.4
85.02844	1.1
89.02343	0.8
101.02338	0.7
113.02364	0.8
117.05153	0.3
130.13545	0.3
161.04533	0.4
210.31296	0.4
271.02484	0.5
299.02127	0.6
300.02795	0.4
473.17047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20961	0.3
52.09586	0.2
57.03321	0.3
59.01252	100.0
60.01591	0.9
71.01250	1.0
73.02830	1.3
85.02811	0.6
89.02318	0.7
89.36397	0.3
98.19751	0.5
99.40054	0.3
101.02345	1.1
113.02346	0.8
124.33141	0.3
179.10757	0.4
379.99692	0.3
448.74164	0.3
473.16580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97967	0.6
57.03345	1.0
58.00465	0.6
59.01254	100.0
60.01591	0.7
61.77078	0.5
68.99693	0.6
69.03347	0.8
69.40604	5.6
71.01259	9.4
71.01617	0.9
72.99194	2.5
73.02835	3.7
74.03165	0.5
75.00755	5.5
77.03841	0.6
83.01260	1.7
83.59211	0.5
85.02826	7.5
87.00763	2.3
89.02323	3.4
91.03838	0.7
93.03323	0.8
95.01276	2.5
97.02814	0.8
99.00757	3.7
101.02341	3.7
109.02836	0.8
110.06789	0.6
113.02332	11.3
115.00279	1.0
117.01811	1.0
119.03425	1.0
119.04912	1.5
121.02850	1.2
128.03429	0.8
129.01796	0.7
129.77899	0.5
131.03410	0.8
131.65128	0.5
132.02133	0.5
134.02417	0.7
134.03619	0.9
135.11682	2.2
137.02351	1.2
143.03436	0.8
145.02849	0.7
149.02357	0.6
149.04449	0.6
151.00293	1.5
160.01651	0.7
161.04491	1.6
162.01825	0.7
163.03952	1.3
164.03467	1.3
168.29924	0.5
175.02426	1.3
175.03864	1.1
177.01857	1.4
179.10707	7.5
204.03026	1.1
205.04982	1.6
223.06200	0.7
223.09694	1.2
227.03470	1.2
231.05107	1.1
249.06155	9.0
255.03036	2.0
256.03412	0.7
266.87155	0.7
267.07254	2.9
271.02496	2.5
283.02551	1.8
285.03961	0.7
297.13416	1.9
299.01965	1.5
300.02887	3.0
301.03485	1.7
306.04089	0.9
319.06503	1.1
323.04404	1.9
324.05182	3.1
340.04349	0.8
341.05301	2.2
354.08127	0.9
367.10117	1.4
411.16464	0.6
413.21915	1.2
429.17615	4.4
430.17810	0.7
433.07703	1.1
434.58072	0.7
456.09344	0.9
473.16693	20.0
474.10434	7.2
474.17075	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	473.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88365	1.0
55.01736	1.5
57.03298	3.4
59.01250	18.7
68.99654	3.6
69.03288	1.4
69.72854	7.0
69.73248	1.8
71.00912	1.1
71.01257	19.8
72.99184	7.4
73.02815	1.4
75.00755	14.0
79.32920	1.3
83.01240	1.3
85.02828	20.7
87.00755	8.2
89.02334	6.4
95.01263	6.7
96.99164	1.9
98.20558	1.4
99.00769	10.0
101.02271	1.1
103.00195	1.6
111.00757	1.4
112.21487	1.1
113.02344	27.7
114.02625	1.3
115.00202	3.2
117.01782	3.4
117.03353	1.6
121.02866	9.2
129.01775	1.7
131.03348	1.9
134.03545	4.2
147.04338	3.0
149.02351	45.4
150.02986	2.5
163.03864	1.1
164.04709	32.4
165.05228	1.5
166.47372	1.0
175.00191	2.2
175.02271	4.4
179.06929	3.5
190.02510	4.7
191.03354	2.4
193.04930	6.1
205.04996	5.8
205.06599	1.4
207.04916	1.2
209.04358	3.0
223.06085	33.9
224.06271	1.6
231.04926	1.4
249.06145	37.0
250.06195	1.2
267.07224	100.0
268.07538	6.6
282.07297	2.2
297.09628	5.0
429.13882	1.2
441.10168	1.5
455.11334	4.4
473.12527	45.1
474.13016	7.0
489.54776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.5
57.03320	5.3
58.00469	2.7
59.01253	33.5
68.99691	33.8
69.03322	2.5
70.23834	0.9
70.98671	1.1
71.01252	39.1
71.86034	1.1
72.99181	4.8
73.02822	4.1
75.00753	13.5
79.45638	1.1
83.01265	4.7
85.02822	28.3
87.00755	9.1
89.02319	17.0
91.03899	1.3
93.03352	2.5
95.01266	4.3
95.04883	1.3
96.99187	27.4
98.19740	2.4
99.00754	9.4
101.02339	2.5
113.02338	23.6
115.00257	32.5
117.01842	1.6
121.02858	6.7
121.10134	2.4
121.41123	1.1
129.01805	1.7
131.03392	2.9
139.00266	1.8
147.04414	2.8
149.02348	34.9
150.02916	2.6
157.01321	2.2
164.03423	1.9
164.04707	22.6
165.05357	1.5
165.09116	2.3
167.10712	12.5
175.00311	2.5
175.02394	10.6
175.03802	1.9
179.07104	2.4
190.02652	4.2
191.03409	1.4
191.10692	2.1
193.12358	1.7
205.05022	4.0
209.11842	1.2
223.06100	14.2
238.29556	1.3
249.06100	16.4
252.77928	1.2
259.87845	1.3
267.07239	44.2
268.07401	3.0
278.77707	1.2
297.09851	1.4
315.14404	7.3
325.12900	5.2
413.14514	8.1
441.10184	1.3
454.40067	1.1
455.11722	1.6
473.17093	100.0
474.17505	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	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.5
56.39146	0.6
56.44436	0.5
57.03321	2.0
57.41209	0.5
58.00458	1.3
59.01252	20.5
63.72726	0.6
68.99686	21.7
69.26563	6.0
69.26989	1.1
71.01255	21.0
72.18772	0.5
72.99166	1.5
73.02823	3.3
75.00747	1.1
78.95779	1.2
83.01262	2.6
85.02821	9.2
87.00756	3.3
89.02319	11.4
89.49215	0.6
93.03330	0.7
93.41945	0.6
95.01253	0.7
95.64494	0.6
96.99188	17.0
99.00746	2.4
100.97077	0.5
101.02317	2.4
111.04430	0.6
113.02335	5.1
115.00257	22.7
116.00592	0.7
121.06460	0.9
121.10114	2.0
123.04377	1.1
127.00282	0.8
128.03423	0.9
129.01834	0.6
131.03394	1.5
135.04466	1.5
139.00232	0.9
140.96301	0.6
141.69641	0.6
149.02364	1.4
152.04752	0.6
152.99503	1.8
157.01370	0.9
162.03178	0.6
163.03874	0.8
163.11177	0.6
164.04681	1.6
165.09148	1.8
167.10690	8.0
173.04480	1.3
174.01573	0.9
175.02409	9.1
177.01846	0.7
177.09125	0.5
179.10632	0.7
191.05562	0.7
191.10701	1.8
192.97655	0.6
193.12303	1.4
201.11288	2.1
209.11835	2.7
219.10182	0.8
221.11923	0.7
233.06702	1.6
244.28055	0.6
249.06169	1.1
267.07239	3.3
315.14447	6.1
325.12906	3.2
339.82858	0.6
413.14523	8.2
414.14789	0.9
429.19839	0.7
455.16464	1.2
467.87360	0.6
473.16684	100.0
474.17059	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	471.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.1
57.03330	4.7
59.01255	16.9
68.99685	1.0
69.03320	2.0
71.01258	40.3
71.58010	1.0
72.01632	0.8
72.99196	7.9
73.02824	4.2
75.00753	34.0
83.01257	3.3
83.01721	0.7
85.02826	29.2
86.03149	0.7
87.00760	10.6
89.02318	5.7
92.78368	0.8
95.01283	3.9
97.02845	2.4
99.00165	1.4
99.00767	19.9
101.02327	6.8
103.00259	0.9
106.04096	1.0
109.02856	0.9
111.00774	0.9
113.02341	34.7
114.02670	0.7
115.00266	4.3
117.01829	2.9
119.03401	1.0
119.04874	1.6
123.04395	1.8
125.02351	1.7
129.01848	1.8
131.03391	1.3
132.05707	3.1
133.06499	100.0
134.03636	3.1
134.06825	4.1
143.03409	3.5
145.02867	2.7
149.05937	1.0
151.13377	0.8
157.01363	6.5
161.02386	0.9
161.04431	3.3
163.03952	1.5
173.04466	1.9
175.02367	6.2
193.05026	1.2
199.02425	0.9
201.04057	1.2
217.03494	4.9
225.11185	0.9
243.12485	1.0
249.05991	0.9
277.05692	6.5
278.82373	0.8
283.02039	0.8
319.06613	2.4
337.07681	5.6
411.12543	0.8
471.15091	84.1
472.15463	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	471.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.5
71.01247	2.9
71.57257	0.7
71.57665	1.1
72.99187	1.1
73.02818	12.8
81.03322	2.2
83.01256	2.5
83.04890	3.0
89.50343	0.6
91.48562	0.6
99.00778	0.6
99.04404	2.1
101.02306	0.9
117.03371	0.8
119.04919	96.7
120.05268	5.3
127.03902	3.0
128.99995	0.6
145.02911	3.6
145.04979	13.1
160.03931	6.2
162.05672	0.7
163.03922	100.0
163.05884	8.6
164.04317	4.7
183.32344	0.6
288.85236	0.6
291.08716	5.8
309.09784	7.5
325.09253	5.4
385.26990	0.8
471.08762	1.2
471.15179	24.2
472.15643	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	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.4
59.01257	2.5
69.24972	1.4
69.25401	2.9
71.01259	2.5
72.99181	0.7
73.02824	3.2
75.00745	1.7
78.95790	0.7
81.03346	0.5
83.04903	0.5
85.02833	2.1
87.00749	0.9
89.02338	0.6
93.03363	0.8
95.01275	0.5
96.95918	0.3
99.00780	0.4
99.04418	0.4
101.02303	0.7
113.02367	1.8
115.00295	0.4
117.03349	0.4
119.04927	92.7
120.05265	3.7
127.03899	0.5
135.04433	0.6
145.02879	3.1
145.04982	3.4
154.02362	0.4
163.03940	100.0
164.04298	5.2
173.04500	0.5
189.01735	0.3
233.06573	0.5
260.72610	0.4
281.14615	0.3
309.09842	0.8
325.09302	5.9
342.87332	0.4
357.09204	0.5
471.15869	8.2
472.16058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	0.7
59.01253	100.0
60.01598	1.1
66.43713	0.6
66.99933	0.5
69.43545	1.4
69.43972	3.7
71.01257	4.6
71.15192	0.6
72.99200	0.9
73.02835	1.7
83.01266	1.1
85.02853	2.1
89.02334	2.5
97.02879	0.7
101.02351	4.5
113.02364	2.3
119.03439	1.0
119.04932	0.6
125.02339	0.8
125.87112	0.8
138.58557	0.6
139.07581	1.8
161.04498	0.9
164.13760	0.6
171.10172	0.7
209.11784	1.6
291.19598	0.7
366.96149	0.6
391.86566	0.6
471.15958	0.8
471.26096	11.3
472.26654	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02428	0.2
59.01252	1.7
71.01251	1.5
73.02835	0.5
75.35207	0.2
85.02860	0.4
93.03345	0.7
96.96697	0.2
98.20631	0.5
101.02309	0.5
113.02360	0.4
117.03358	17.7
118.03683	0.5
119.04924	100.0
120.05256	3.7
121.02866	0.4
133.06508	0.3
145.02866	59.6
146.03212	2.6
147.04413	0.2
159.04332	0.3
161.06024	0.9
163.03929	76.7
164.04271	3.3
187.03850	0.5
190.02861	0.2
195.26801	0.2
205.04947	0.6
211.13156	0.3
229.28307	0.4
247.06081	0.5
283.65677	0.2
307.08249	27.2
308.08521	2.2
358.65851	0.2
376.50800	0.3
460.89886	0.2
471.12949	11.6
472.13132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74036	0.3
57.03318	0.3
59.01258	8.0
69.36610	3.3
71.01251	1.5
73.02824	0.4
78.95792	0.5
85.02840	1.0
86.82313	0.3
87.00760	0.3
89.02320	0.5
93.03330	0.9
101.02345	1.1
113.02331	0.9
117.03362	13.4
118.03708	0.4
119.04926	100.0
120.05250	3.6
121.02801	0.4
145.02867	64.4
146.03210	3.2
152.99458	0.6
156.92473	0.3
161.06032	0.9
163.03940	59.9
164.04208	2.1
183.13840	0.5
187.03946	0.8
205.04996	0.8
211.13341	5.6
212.13579	0.4
239.66963	0.3
247.06033	0.6
307.08255	39.3
308.08655	2.3
387.60410	0.3
471.13104	10.6
471.19833	1.9
472.13568	1.2
472.20319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.3
57.03329	4.3
59.01251	12.1
68.64653	0.8
68.99669	1.1
69.03342	1.1
70.89058	1.6
71.01257	27.5
72.99171	5.3
73.02827	4.0
75.00749	26.2
79.95625	0.8
80.96404	5.9
81.74031	0.7
83.01267	3.0
85.02824	27.9
87.00751	8.6
89.02319	1.5
94.97964	1.2
95.01265	3.5
99.00764	10.2
101.02341	5.5
113.02329	28.1
115.00263	1.7
117.01848	1.2
129.01831	1.5
131.04961	1.2
133.06497	3.5
150.31744	0.9
157.01328	1.0
159.02933	0.8
161.04483	2.9
173.04523	2.5
175.02423	4.3
180.42152	0.9
199.90263	0.8
211.07724	1.1
233.06598	1.9
278.01862	0.9
411.13071	0.9
441.80478	0.9
471.15103	100.0
472.15283	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	469.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.4
60.61587	0.6
67.01771	1.1
69.49097	0.6
69.49429	4.6
71.01256	1.3
72.99173	0.7
74.48437	0.5
75.00710	0.7
85.02838	0.8
99.00745	0.6
101.02283	0.5
109.02847	1.2
115.90388	0.6
121.02890	0.7
131.71967	0.5
135.04396	0.6
136.01588	0.9
137.02339	15.6
148.05215	0.6
151.03896	1.9
163.07579	0.8
163.33540	0.5
164.01083	2.0
165.01843	90.2
166.02176	3.9
173.04460	0.7
179.03424	16.2
180.04201	47.7
181.04747	2.5
194.05771	3.1
195.02843	2.1
195.06558	100.0
196.06943	4.7
210.05257	6.4
214.50256	0.5
225.07643	30.6
226.07959	1.8
233.06667	1.3
243.08737	2.5
303.08548	0.7
331.08286	2.6
345.09698	0.5
346.10455	1.1
361.12885	7.5
362.13342	0.9
421.15012	13.3
422.15210	1.7
432.59128	0.7
447.68616	0.5
469.18512	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	470.188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58440	1.7
55.01754	2.4
58.00464	3.6
58.20948	2.1
59.01253	84.2
63.52372	1.6
64.13138	1.6
69.49449	14.6
71.01254	72.2
72.99178	9.4
73.02805	3.5
73.23888	1.6
75.00750	4.2
78.95763	3.8
83.01267	4.6
83.02395	4.7
85.02814	14.1
87.00741	4.6
89.02319	80.2
95.01255	3.5
96.36864	1.4
96.37775	1.5
96.96847	7.8
99.00745	3.2
101.02327	32.8
113.02328	25.3
119.03391	28.4
119.04873	3.5
125.02379	2.4
127.01376	3.1
128.03423	28.1
128.07072	37.3
129.01833	3.1
129.03770	1.6
129.57762	2.1
131.03467	3.0
143.03384	5.5
144.06554	4.0
145.01337	2.0
146.04604	2.0
149.04355	2.4
154.44823	1.7
161.04475	9.0
163.03886	3.5
173.14603	2.2
179.05540	27.6
198.57462	1.6
268.18365	1.7
269.49448	2.1
341.10867	100.0
342.11206	4.8
470.13095	4.0
472.78818	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.0
59.01250	3.5
59.80928	1.3
60.56502	1.3
69.31023	13.5
69.31430	2.7
71.01270	5.3
71.42793	1.4
72.99187	15.1
75.00761	5.7
83.01266	2.2
87.00730	1.4
98.11996	1.2
99.00757	4.5
112.98710	7.8
113.99482	2.2
115.00282	2.9
117.67687	1.6
119.51713	1.2
135.02888	15.2
139.81494	1.3
142.99783	14.9
145.01439	1.5
156.00583	4.6
173.00826	8.8
174.01620	100.0
175.02350	6.6
185.11896	1.5
223.13252	1.8
237.11281	1.9
240.46980	1.4
293.21185	13.3
305.21231	14.5
307.22849	1.6
312.56152	1.7
319.22635	4.0
331.19083	2.2
345.20773	4.5
349.20245	8.2
350.20496	1.6
389.19632	2.9
407.20990	1.9
467.22858	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	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05987	7.0
50.39787	8.2
51.42842	8.6
54.53256	7.5
54.57968	7.3
57.71035	7.6
59.01251	22.3
59.22683	8.1
72.99176	34.4
73.35898	9.1
75.00753	57.9
88.71223	6.9
89.01710	7.8
89.02280	7.3
99.00766	11.7
111.07994	10.6
121.02801	9.8
124.64001	7.8
135.02901	100.0
139.31714	7.9
142.13696	7.4
142.99791	15.5
149.06027	7.9
161.05971	10.6
165.12732	20.7
174.01630	91.5
174.06752	9.1
175.02278	9.7
277.21732	50.4
283.21024	8.0
287.20154	14.1
293.21292	33.0
305.21265	73.4
313.18219	11.6
315.19861	10.1
315.65323	8.9
331.19208	99.0
333.20734	9.7
345.20740	63.3
349.20279	29.4
371.18491	63.6
387.21729	14.9
389.19833	17.7
401.19437	23.2
413.19742	21.4
431.20633	26.1
449.21771	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.8
57.03312	9.0
59.00957	3.2
59.01252	45.6
60.99157	4.0
62.60896	2.7
65.56925	2.9
68.21026	3.7
68.99680	9.9
71.01252	59.4
71.56731	4.2
72.99184	23.9
73.02819	6.6
75.00751	17.6
75.02470	5.3
83.01254	24.7
83.02373	12.1
85.00900	8.6
85.02840	21.1
87.00759	19.2
88.98683	3.4
89.02331	25.2
99.00764	41.7
99.02476	3.7
100.98720	3.2
101.02324	16.6
103.00247	6.9
111.00759	32.5
112.98697	84.5
113.02332	17.8
114.98361	4.7
115.00257	15.6
115.01973	4.0
117.01832	12.7
119.03400	6.3
127.00407	5.4
127.01301	16.5
128.03432	19.4
128.07056	4.8
129.01833	22.4
142.99783	15.9
143.01474	5.7
143.03386	5.1
145.01340	90.4
157.01314	4.0
158.70862	3.1
161.04555	4.6
165.01823	3.0
171.00940	13.0
173.00879	19.4
179.05519	9.0
187.02466	5.5
195.06529	5.5
199.00531	5.1
201.01855	3.0
205.03468	7.6
228.87614	3.2
231.03130	13.2
263.05801	60.6
319.62726	3.1
337.92389	3.1
341.10941	42.6
365.08908	7.9
391.06851	7.5
399.18713	3.5
407.84177	3.5
425.11404	3.2
451.09076	12.6
469.09955	100.0
469.15866	24.7
470.10123	7.1
470.16144	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	469.1621
Annotation	FR177391
Peak:m/z	Relative Intensity
50.48714	0.7
51.95739	0.7
59.01242	2.6
69.03309	0.8
71.01261	2.2
71.57993	0.9
81.55072	0.6
85.02826	1.2
90.41038	0.7
101.05958	0.7
108.08076	0.8
113.02338	1.9
119.04904	0.7
121.05222	2.1
125.09595	0.7
127.03919	0.7
132.04440	1.3
145.05035	0.9
150.09164	11.1
151.09506	1.2
158.06018	8.2
159.06532	0.6
182.06050	1.6
184.07599	1.0
186.09236	1.3
187.09950	10.1
196.07649	1.5
201.11348	0.7
210.09306	3.0
211.13274	1.6
220.09819	1.3
224.10785	0.8
231.08945	3.9
237.10272	1.7
240.13916	7.5
250.07343	0.9
251.11894	0.6
263.08304	1.0
264.09149	0.9
265.09818	3.4
267.11395	0.8
268.17059	10.1
268.19666	1.0
269.17160	1.1
277.09808	1.2
279.11545	1.1
293.09692	1.2
293.13034	5.1
294.14975	2.2
307.14667	2.1
309.16162	5.5
319.10822	1.4
321.16086	4.6
322.16422	0.8
326.86127	0.6
334.13223	1.0
335.17514	1.0
337.19235	17.7
338.19501	2.1
353.15082	2.3
363.17145	7.2
364.17450	0.8
365.15143	3.6
375.15884	0.8
381.18216	5.2
382.18329	1.0
407.16077	4.4
425.17126	9.4
426.17416	2.1
469.16180	100.0
470.16464	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	467.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	6.9
57.43032	1.9
58.90247	2.0
59.01252	25.6
68.24811	2.0
69.03304	2.5
71.01253	33.5
72.99165	4.9
73.02843	2.8
75.00739	13.2
76.01021	2.0
77.48110	1.9
78.95783	2.8
79.95608	10.2
81.03342	2.2
83.01255	2.8
83.04903	10.2
85.02830	23.3
87.00754	11.7
89.02319	31.8
93.03320	5.3
95.01263	6.0
98.20580	4.3
99.00751	8.2
101.02318	5.1
107.04899	2.1
108.02061	6.6
109.02814	6.1
109.06447	2.6
111.04429	2.6
113.02322	25.1
119.04921	7.6
120.05215	2.1
121.02843	3.3
123.00734	2.5
125.02371	2.3
128.07025	2.1
134.05939	3.8
135.06328	2.4
137.02309	4.1
148.28134	2.1
149.02330	7.7
150.02684	3.3
151.00352	2.0
152.01035	6.0
153.01860	4.7
153.09204	2.5
156.67299	1.9
163.03900	6.9
164.04623	7.0
165.05086	5.1
171.10168	25.5
173.04492	6.0
175.00388	2.5
175.02393	2.2
177.01834	4.4
178.99780	1.9
179.07040	3.7
190.02640	3.8
191.03055	2.8
191.05574	6.2
193.01457	2.5
205.04988	3.6
207.04965	3.3
214.01814	4.5
216.72365	2.3
217.10764	100.0
218.11179	5.7
231.02933	3.3
231.04996	2.7
238.01997	2.0
249.04172	2.7
249.06151	49.1
250.06494	3.4
267.07208	66.5
268.07486	3.7
318.02615	3.8
320.03220	3.5
339.09335	2.2
423.09564	5.4
449.16241	2.0
467.08539	41.6
467.17575	47.0
467.27942	3.8
468.08182	7.7
468.14355	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	467.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.5
57.03327	6.5
57.31076	0.6
59.01258	14.5
63.42725	0.6
65.62697	0.6
68.22391	0.8
68.99696	0.9
69.03331	0.7
69.30189	7.0
71.01261	27.1
72.99191	5.1
73.02825	4.1
75.00751	32.4
77.87958	0.6
83.01280	3.5
85.02831	37.9
87.00758	10.2
89.02322	3.5
95.01277	3.7
97.02822	1.8
98.19836	1.3
99.00771	12.1
101.02332	10.0
103.00274	0.9
111.00739	1.0
112.01543	1.3
113.02338	34.8
115.00277	3.3
117.01812	2.3
125.02319	0.8
129.01842	0.9
143.03435	0.6
148.81430	0.7
148.90472	0.6
157.01341	1.6
161.04488	2.7
166.78529	0.6
173.04454	1.2
175.02444	4.1
182.64307	0.9
200.59512	0.6
227.03612	0.8
245.93625	0.6
255.03065	1.4
284.03229	1.1
291.18115	2.3
340.45917	0.7
407.18961	0.8
431.09848	1.4
445.79770	0.7
450.16519	1.1
467.21365	100.0
468.21817	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	467.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.2
57.03328	5.6
58.00465	0.7
59.01256	11.0
60.01587	0.4
68.99679	0.8
69.03323	0.7
69.35539	2.3
71.01260	22.7
72.01603	0.3
72.99187	4.2
73.02824	3.6
75.00751	27.5
83.01267	3.9
83.31287	0.2
84.02040	0.5
85.02831	31.5
85.99959	0.7
86.03157	0.7
87.00761	7.7
89.02321	2.4
93.03362	0.3
95.01270	3.5
97.02843	1.1
98.20541	0.5
99.00764	10.0
101.02327	7.8
103.00253	0.7
111.00771	1.1
112.01563	1.1
113.02340	29.9
114.02690	0.5
115.00265	2.7
116.01047	0.3
117.01843	1.7
125.02316	0.5
126.11639	0.3
129.01846	1.2
131.03395	0.4
143.03358	0.3
157.01315	1.8
159.02898	0.5
159.59048	0.3
159.68495	0.3
161.04456	1.3
173.04488	0.7
175.02400	3.1
188.14032	0.2
191.05565	0.4
205.69708	0.2
232.80815	0.3
291.18146	3.3
292.18372	0.4
349.18680	0.5
405.21384	0.8
407.19296	1.2
422.76563	0.2
449.20325	0.5
467.21356	100.0
468.21741	10.0
468.27777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.1
61.34251	0.7
71.01268	1.2
71.14589	2.0
80.17378	0.9
85.02857	1.5
99.00736	0.9
101.02369	1.0
109.49909	0.8
113.02351	2.0
134.03635	92.2
135.04477	10.3
147.91539	0.8
148.05153	1.7
149.05992	100.0
150.06306	4.0
151.03941	1.0
178.09830	1.0
179.09325	8.1
204.06551	1.8
209.10432	0.8
221.10393	3.2
247.10889	2.2
248.11691	1.3
251.11494	1.5
263.13977	2.3
289.13077	1.1
290.14166	0.8
305.16269	3.3
329.16202	23.3
330.16678	2.1
341.16135	2.2
347.17197	12.0
348.17480	1.0
359.17126	2.5
366.09549	0.9
371.17435	3.7
401.18582	1.0
467.17822	3.0
475.85571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.8
59.01250	6.8
60.50964	0.7
69.66795	5.6
71.01250	3.1
72.00773	4.7
75.94428	0.8
79.95174	1.4
79.95609	19.8
80.96378	3.2
85.02824	2.0
85.30367	0.8
87.00726	1.0
89.02314	1.1
89.59111	0.8
93.03355	4.0
96.95933	1.0
100.00284	9.0
101.02333	1.3
107.04915	5.2
108.02055	0.9
113.02322	1.9
119.04919	43.0
119.73164	0.8
120.05272	1.0
121.02815	2.3
121.14309	0.7
125.02312	2.3
133.05214	1.5
134.06024	14.6
136.07538	1.3
149.02345	30.6
150.02858	1.5
151.00287	1.0
152.01051	1.0
152.07146	1.1
160.66383	0.8
160.88626	0.7
162.05438	1.2
163.03917	36.0
164.04701	39.6
165.05240	1.2
173.04460	1.9
175.00319	8.0
177.01851	1.7
178.06276	4.4
179.05478	1.7
179.07060	30.0
180.06552	11.4
190.00961	1.8
190.02652	28.6
191.03352	2.1
191.05557	1.6
193.03668	1.3
205.03070	1.0
205.05020	36.1
206.04510	50.2
207.04956	2.5
208.06082	3.7
214.01727	12.5
220.06093	1.8
220.53104	0.9
225.10345	1.2
233.06744	1.5
249.06261	1.6
250.07217	1.0
253.09808	2.3
259.57251	0.9
267.07251	1.1
312.02634	0.9
312.08740	3.9
327.11078	5.8
342.13483	6.3
386.12427	30.8
387.12808	2.7
422.08966	7.4
433.17117	1.1
448.18658	3.5
466.08093	100.0
466.19614	8.8
467.08408	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	466.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.4
61.98719	0.9
71.01261	0.8
77.84751	0.4
78.95773	1.2
83.01240	0.5
83.04919	0.6
85.02828	0.5
86.51009	0.4
89.02357	0.5
99.96808	0.4
120.01147	100.0
121.01443	1.5
123.08044	1.0
171.10280	0.5
209.11850	0.6
317.15701	0.8
379.15829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.6
61.98715	0.7
67.19595	0.3
69.53017	0.7
69.53426	2.4
71.01260	1.4
73.02827	0.4
78.95773	0.6
81.96652	0.4
83.04922	0.5
83.19845	0.4
85.02818	0.7
86.14674	0.4
87.00745	0.7
89.02341	0.6
93.03331	1.0
100.20648	0.4
120.01146	100.0
121.01517	0.9
123.08041	0.6
136.05212	3.3
149.05830	0.4
152.99551	0.6
171.10283	0.8
173.04422	0.7
191.05652	0.3
195.13911	0.7
201.11275	0.6
209.11873	1.2
224.01459	0.4
229.14449	0.8
230.14699	0.8
256.24057	0.4
345.75388	0.4
375.22089	0.5
379.15765	0.7
449.14471	0.8
466.24207	0.8
467.16718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.1
59.01253	10.9
60.01550	0.9
64.22606	0.6
67.05402	1.1
68.99672	3.0
69.03308	2.6
69.37435	2.3
69.37865	4.4
71.01260	7.5
72.99190	0.8
73.02813	1.4
75.00739	3.5
76.35249	0.6
78.95803	0.7
81.03315	1.0
83.01249	1.4
85.02828	7.3
87.00763	0.9
89.02319	1.6
91.01775	1.6
93.03326	2.2
95.01245	1.0
97.02846	5.9
98.20518	1.4
99.00742	1.5
101.02316	1.9
107.01215	0.9
108.02052	10.7
109.02839	68.3
110.03169	1.6
110.20512	0.6
111.04404	11.5
113.02322	5.1
113.32774	0.6
117.03342	0.9
119.04892	2.0
121.02834	0.8
123.00761	1.8
123.04424	5.7
125.09616	1.0
132.02139	0.7
133.02794	0.9
134.03647	5.1
135.04327	0.7
137.02347	0.9
149.05980	0.9
151.00278	2.1
151.03911	4.8
152.01059	22.8
153.01843	37.3
154.02197	1.5
160.01640	3.1
161.02370	0.9
161.04480	0.7
163.03915	1.2
173.04506	0.9
175.03925	5.8
178.02493	0.7
178.99783	0.9
181.08568	3.4
191.05583	2.1
193.04985	4.2
195.02950	2.6
199.09695	2.5
205.04984	2.1
223.02399	1.0
234.42514	0.7
235.06082	1.6
249.04129	0.7
267.05096	100.0
268.05481	6.4
285.06274	1.1
295.08447	0.8
299.01938	0.7
343.07306	1.3
406.17328	0.7
423.16425	1.1
449.15002	0.9
466.27597	5.9
467.15585	66.4
467.21304	7.2
467.27505	5.5
468.16055	10.1
468.21957	1.0
483.85870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38227	0.9
55.54402	0.9
57.03323	2.0
58.00470	1.2
59.01255	100.0
60.01599	1.0
65.40163	1.1
71.01254	12.8
71.26299	1.8
71.26651	1.3
75.00734	1.4
85.02829	3.0
87.00771	1.0
87.98335	1.1
89.02323	15.5
95.01266	1.2
96.95901	6.2
96.96851	2.6
101.02334	8.4
113.02328	6.3
119.03371	8.7
119.04993	0.9
119.38143	1.0
125.02336	2.7
127.85223	1.0
143.03395	1.4
147.65198	0.9
149.02371	1.4
149.04440	1.0
157.91528	1.0
161.04486	1.8
166.02702	1.7
175.03912	2.0
179.05577	4.7
199.03979	2.4
201.01851	1.2
216.02420	0.9
217.05121	2.2
241.05162	3.3
267.07236	1.2
285.04007	8.8
293.60342	1.0
329.08875	1.7
330.81271	1.1
405.21329	6.7
465.10086	1.7
465.16058	3.0
465.22531	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	465.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33912	0.5
55.01750	1.5
57.03306	1.6
59.01254	68.6
63.37458	0.5
65.00163	0.7
69.41237	3.6
69.41653	1.6
71.01256	15.5
71.31126	0.5
72.99189	1.4
73.02815	5.7
75.00758	1.0
78.95744	0.6
83.01257	4.2
85.02827	8.5
87.00755	1.4
89.02306	2.3
93.03358	0.7
95.01263	2.2
96.75793	0.6
99.00758	2.6
101.02324	13.6
108.02090	1.4
109.02844	2.5
111.00777	1.0
113.02332	6.6
118.23587	0.6
119.03429	0.7
119.04925	2.3
121.02835	0.8
123.04404	2.7
125.02313	0.6
133.02827	1.3
135.04413	0.8
137.02274	0.7
147.04463	0.9
151.00238	1.9
151.03929	0.8
152.00899	0.6
153.70503	0.5
160.01549	1.5
161.02327	0.8
161.04457	2.7
163.03873	1.0
163.48146	0.6
175.03931	1.2
177.01845	3.8
178.99768	0.8
189.01857	6.9
190.02525	1.9
191.03474	1.6
216.00626	1.3
217.01390	4.1
218.02100	0.6
219.02983	1.7
227.03255	0.7
229.14384	1.4
231.02957	1.4
233.04395	0.6
243.19624	1.1
271.02432	1.6
281.85031	0.6
299.01953	1.8
300.02594	0.9
301.03455	2.3
302.03552	3.0
303.04089	3.2
303.21759	1.3
318.56039	1.2
341.06671	13.4
342.07065	1.0
355.08435	0.9
405.25107	3.6
447.08698	0.8
447.25854	5.7
465.11859	4.4
465.27032	100.0
466.13205	1.0
466.20767	0.8
466.27319	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	465.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.6
57.03331	7.5
58.00465	1.4
59.01253	24.0
61.58764	1.1
69.03320	1.3
69.91148	6.0
71.01256	36.3
72.99185	7.0
73.02825	7.8
74.53304	1.0
75.00751	36.0
78.86465	0.9
83.01250	6.3
83.12936	1.1
85.02827	43.6
85.07318	1.0
87.00751	11.8
89.02321	5.3
92.99829	1.1
95.01276	5.2
97.02024	0.9
97.02811	1.9
98.20432	2.0
99.00751	13.6
101.02328	15.5
108.02060	1.2
109.02853	2.0
111.00768	3.8
113.02338	38.0
115.00234	1.9
117.01812	1.6
121.02883	1.5
125.02341	2.8
127.11304	1.1
129.01819	2.7
143.03430	1.2
145.02892	1.3
151.00281	2.3
152.00986	1.8
153.01840	2.2
154.99776	1.0
157.01353	1.8
161.02432	1.0
161.04475	5.1
166.02626	1.5
166.99625	1.2
175.02438	4.5
178.99706	1.6
187.03926	1.3
205.05118	1.6
209.11839	1.9
229.14435	17.6
243.03001	1.5
253.09293	3.1
255.02946	4.1
256.03522	1.2
257.49130	1.1
271.02567	2.8
272.02829	1.5
273.03049	1.6
283.02530	4.6
285.20752	1.7
289.16608	1.6
299.01947	1.5
301.03436	4.8
302.03546	3.5
303.04141	4.7
303.13562	1.7
303.21857	2.6
317.02667	1.3
325.56870	1.9
326.07083	1.9
394.43347	1.0
405.17502	1.5
447.08578	2.3
447.18665	1.3
447.25827	2.4
465.09424	3.5
465.19748	100.0
465.26999	26.9
465.62155	1.6
466.20395	12.3
466.26682	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.4
62.96294	0.3
65.82516	0.2
71.01539	0.5
72.08670	0.2
78.95786	56.7
79.95615	0.5
84.96816	0.2
96.95913	1.9
96.96851	6.7
150.97955	1.6
152.99507	100.0
153.99878	1.3
155.36256	0.2
171.00595	3.9
217.40323	0.3
311.22339	0.5
462.86560	0.3
465.22568	12.9
466.22830	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
57.03331	1.2
58.00477	0.5
59.01254	100.0
60.01591	1.0
61.98707	1.6
70.86558	0.9
70.86926	0.4
71.01260	7.2
71.01660	0.4
72.99172	0.6
73.02836	0.6
75.00752	0.8
83.01283	0.5
85.02821	1.8
87.00760	1.0
89.02322	10.1
91.96807	0.3
95.01274	0.6
101.02322	4.5
102.05486	0.5
104.98429	0.3
113.02354	3.7
119.03396	5.1
120.01218	0.6
125.02338	3.4
128.03413	0.4
131.03419	0.6
137.02383	0.4
143.03458	1.2
146.04602	0.5
151.00247	0.8
153.01868	0.9
161.04529	1.5
175.03960	0.7
177.01823	0.7
178.99779	0.5
179.05544	3.6
195.06578	0.4
199.04034	0.4
215.09193	0.6
217.04964	0.4
241.05191	0.5
249.06374	0.8
267.07315	1.2
285.04037	4.0
303.05212	2.7
405.21017	1.8
406.21988	0.4
414.32590	0.5
449.20639	0.6
465.16238	2.3
465.23312	0.7
466.16125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1986
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
55.01758	2.4
57.03328	5.9
58.00455	0.6
59.01252	17.0
63.02267	0.8
65.00188	1.7
67.01769	1.0
68.99666	1.0
69.03323	0.9
69.32974	6.8
71.01258	26.9
72.99198	4.1
73.02818	4.7
75.00747	31.4
79.01742	0.7
81.03329	0.7
83.01270	5.5
85.02827	32.3
85.99990	0.6
86.03139	0.6
87.00755	8.8
89.02320	4.3
93.03361	0.8
95.01262	6.1
97.02811	1.5
99.00755	12.6
101.02333	8.1
106.00527	1.2
107.01273	2.6
108.02072	0.9
109.02844	5.6
109.99966	1.1
111.00764	4.0
112.01570	1.1
113.02337	32.7
114.02602	0.8
115.00251	2.8
117.01804	0.9
119.03380	0.7
119.04883	1.1
121.02821	0.7
123.00753	3.0
124.01559	1.1
124.98677	0.9
125.02320	2.7
129.01826	1.2
133.02917	1.0
135.00700	0.8
137.02330	1.2
139.00252	3.5
141.01805	1.3
147.04404	1.0
148.01523	0.9
149.02373	1.0
149.99440	1.6
151.00269	7.3
152.01024	2.5
153.01898	1.6
157.01338	1.7
159.03136	0.6
159.04430	2.1
161.02359	2.3
161.04469	2.1
161.05782	1.2
163.00307	1.2
163.03922	1.3
164.01062	1.2
165.01837	0.8
165.98955	1.1
166.99779	1.8
168.00528	1.9
169.01340	1.9
171.04510	1.5
173.04446	0.9
174.03197	0.6
175.02411	4.9
175.03932	2.5
177.01828	1.1
177.98987	2.4
178.99776	9.7
181.01361	0.8
185.02441	0.7
187.03935	3.2
189.01883	1.8
190.02650	0.9
191.03346	0.9
193.01416	1.5
194.99266	1.4
199.03958	1.7
201.01807	1.2
202.02464	0.9
203.03441	3.2
204.04277	1.0
205.01308	0.8
206.99304	0.7
208.00232	0.7
210.12271	0.7
213.01872	1.7
214.02734	0.9
215.03497	3.4
217.01367	1.5
218.02013	0.7
219.03035	1.1
227.03465	1.3
229.01370	1.3
231.02951	2.7
232.03732	4.6
233.00870	0.8
233.04520	4.9
241.01411	0.9
242.02023	1.4
243.02994	5.0
244.03583	1.2
245.00981	1.5
245.04546	1.0
247.02399	1.2
255.03032	0.8
258.01657	1.7
259.02515	4.8
260.03165	1.4
261.00308	0.9
261.04047	2.9
269.00903	1.1
271.02469	9.7
272.02890	1.9
286.01230	1.9
287.01987	15.5
288.02539	4.0
289.03403	3.4
289.16519	2.9
297.00400	1.9
299.01999	7.2
300.02536	2.4
302.03629	1.4
303.01382	1.1
303.21689	1.7
304.02039	1.0
305.03156	1.2
314.00592	0.8
315.01474	23.2
316.01825	3.5
317.02615	0.7
325.05695	1.0
329.05139	1.5
332.01724	5.7
333.02405	3.8
347.17361	0.8
365.08835	0.9
393.08212	1.1
421.08136	1.0
447.05698	1.9
447.26016	1.2
456.44577	0.6
465.06604	16.9
465.19827	100.0
465.26959	8.9
466.07462	1.9
466.20132	11.8
466.26672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.3
57.03324	7.0
59.01254	20.6
60.76214	0.7
67.01742	0.7
68.99680	0.9
69.03318	1.3
71.01257	36.6
71.31516	0.5
72.99189	4.8
73.02827	6.2
75.00748	32.5
78.95773	0.6
83.01262	5.0
84.02027	1.3
85.02824	39.9
86.03136	0.7
87.00745	9.4
89.02325	5.5
93.03349	1.3
95.01265	5.9
97.02840	1.3
99.00166	0.9
99.00767	13.9
101.02329	11.7
103.00253	1.1
108.02067	0.9
109.02858	1.0
109.30691	0.6
111.00761	2.7
113.02334	36.5
114.02664	1.5
115.00237	2.8
117.01804	1.9
119.03377	1.1
119.04947	1.3
125.02320	2.0
127.11146	1.3
129.01840	1.7
131.03398	0.7
139.00272	0.9
139.03883	0.6
143.03465	0.6
145.02759	1.3
151.00314	1.2
152.01035	2.2
153.01813	1.3
157.01341	1.8
159.02905	0.8
161.04498	4.2
163.03857	0.7
164.07008	0.8
170.84103	0.7
173.04475	1.4
175.01048	0.8
175.02390	5.1
175.03784	0.9
179.05490	0.6
209.11705	2.5
210.12051	1.3
211.12157	0.8
216.46428	0.6
229.14395	16.9
230.14796	1.2
253.09338	1.8
255.02928	0.9
271.02386	2.5
272.02823	1.0
273.03107	1.5
283.02377	1.4
284.03128	0.8
285.20700	1.2
289.16425	2.1
299.01889	2.0
300.02432	1.1
301.03110	2.3
302.03354	3.2
303.04071	2.5
303.21674	2.6
311.06601	1.2
315.01266	0.8
318.02878	1.6
319.03506	1.0
335.06210	0.9
342.94534	0.7
405.17593	1.2
406.49094	0.8
447.08484	1.5
447.19144	1.2
447.25784	3.1
465.19666	100.0
465.26917	28.5
465.62439	0.8
466.19968	12.9
466.27133	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	465.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.1
58.62833	1.2
59.01252	43.4
69.24468	8.9
69.24888	4.1
71.01257	24.4
72.01595	1.1
72.99199	5.9
73.02811	2.3
74.02351	1.7
75.00750	14.1
79.95614	2.0
83.01269	1.5
85.02344	1.7
85.02827	21.0
87.00747	10.2
89.02325	10.0
93.03359	1.5
95.01250	4.9
99.00752	9.4
99.04415	1.9
101.02325	3.6
111.08040	5.1
113.02329	23.4
114.05503	2.2
115.00253	2.9
117.01815	1.9
117.70785	1.1
119.03385	1.2
119.04908	4.0
120.01143	3.2
125.02332	3.1
129.01772	1.2
135.08072	1.8
143.04514	1.9
145.04958	3.2
149.02367	3.3
153.09102	7.7
155.07016	3.2
157.01357	1.5
161.04552	1.2
163.03845	3.6
164.04744	3.3
171.10223	1.6
173.04529	1.4
175.02374	2.4
179.07040	2.3
190.02644	2.8
191.05528	2.5
205.04961	2.1
206.04514	3.8
209.11777	3.5
215.09174	3.5
249.06111	14.4
267.07184	35.0
289.12805	3.1
306.07617	1.7
386.12347	3.0
403.16391	1.5
405.13824	2.4
405.21680	1.7
447.14865	4.4
465.16116	100.0
466.08749	8.3
466.16122	9.3
482.25156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	9.0
58.00457	3.6
59.01251	47.0
67.81914	1.0
68.99684	1.8
69.03316	3.1
69.28713	10.5
71.01258	27.1
71.04876	3.5
72.99183	5.5
73.02831	6.3
75.00742	12.7
77.59709	1.0
81.03333	2.7
83.01257	2.4
83.04903	7.8
85.02824	19.1
85.06465	1.3
87.00748	6.3
89.01820	1.7
89.02321	20.6
91.03851	1.3
93.03321	1.7
95.01240	3.8
95.04873	1.9
97.02879	1.0
97.06463	2.9
99.00768	6.9
99.04412	1.4
101.02328	12.4
101.05958	9.4
103.00272	2.2
103.46310	1.0
108.02100	1.0
109.00185	1.1
109.02814	1.8
109.06470	1.3
111.04382	1.4
111.08041	1.1
113.02328	22.3
113.09631	1.6
114.05505	2.5
114.48486	1.0
115.00209	1.5
115.07258	1.1
117.01788	1.5
119.03394	7.2
119.04936	2.5
120.01109	1.5
122.05967	1.4
123.08010	3.6
125.02324	5.1
126.02628	1.1
126.99480	10.0
128.03383	1.8
131.03413	1.5
134.05978	1.0
135.08040	1.8
137.02344	3.0
141.09126	1.3
143.03401	2.2
143.04515	1.3
149.02328	3.9
152.01056	1.8
153.01823	3.3
153.09081	3.3
154.02116	1.9
157.01315	2.1
161.04453	3.6
163.03891	1.7
164.04601	1.1
166.02643	1.2
167.03369	4.1
175.02452	1.7
175.03893	2.3
179.05530	3.1
181.12224	1.6
185.08145	6.7
191.05595	1.4
195.05269	1.0
205.05008	1.9
206.04550	1.7
209.11783	2.9
215.09192	100.0
216.09575	5.1
231.05081	1.7
241.04903	2.3
243.15794	1.9
249.06131	71.4
250.06471	3.6
267.07205	6.4
271.09814	1.2
285.04056	5.7
285.12405	6.1
303.05209	1.5
329.08759	2.5
386.12421	1.3
405.21317	22.0
465.08789	3.3
465.16034	52.4
466.08319	4.1
466.16510	4.5
491.53922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23421	2.8
56.64727	3.2
59.01251	13.1
63.02285	3.6
65.00199	12.6
67.01773	3.1
68.99694	4.1
69.56311	23.4
77.32523	2.6
83.01264	8.3
87.71148	2.8
91.01686	2.9
93.03323	3.9
95.01262	16.5
96.99227	2.9
97.02884	4.8
99.00738	5.2
106.00494	8.6
107.01280	14.9
109.02834	27.1
109.99963	5.6
111.00760	18.4
121.02827	4.4
123.00790	22.8
124.01546	12.7
124.98694	4.9
125.02356	16.1
131.04868	3.9
133.02870	8.3
135.00783	5.0
135.04387	4.0
136.98701	5.7
137.02319	7.9
139.00253	20.6
141.01752	3.4
143.04953	3.6
145.02809	5.0
146.03616	3.7
147.04404	6.9
148.01558	7.7
148.98724	4.6
149.02338	10.1
149.99458	12.4
151.00287	47.6
152.01015	12.0
153.01837	11.1
159.04437	14.1
161.02354	12.6
161.06021	3.8
163.00223	6.4
163.03958	5.9
164.01080	5.1
164.98216	7.9
165.01895	4.5
165.98969	5.0
166.99792	10.5
168.00546	14.2
169.01318	11.1
171.04425	9.9
173.02322	4.6
174.03113	4.9
175.00301	3.7
175.03969	16.0
176.01102	4.4
176.98254	3.8
177.01877	6.1
177.99011	18.5
178.99788	63.1
180.00314	4.6
181.01355	3.8
185.02344	4.2
186.03220	3.6
187.03934	25.7
189.01845	16.1
190.02534	3.9
191.03339	4.6
192.00623	5.6
193.01335	8.4
194.99307	10.3
198.03160	3.6
199.03929	12.8
201.01880	9.3
202.02675	5.3
203.03447	24.5
204.04048	3.4
204.97691	4.7
205.05116	4.9
206.99255	5.5
207.02904	6.3
213.01828	5.1
214.02747	3.3
215.03421	19.4
217.01401	9.5
217.04974	6.2
218.02127	3.3
219.02919	8.9
225.63696	2.9
227.03491	10.6
229.01454	6.5
230.02089	7.3
231.02919	17.9
232.03716	22.3
233.00938	5.6
233.04497	28.8
241.01364	4.9
242.02225	6.8
243.02928	28.9
244.03319	4.0
245.00914	10.0
245.04530	7.5
247.02473	8.9
257.01059	4.9
258.01770	10.1
259.02509	29.1
260.03128	11.0
261.03995	8.6
269.00842	4.9
271.02496	40.0
286.01273	10.1
287.02002	78.5
288.02573	16.7
289.03589	14.3
297.00391	8.1
298.00983	4.3
299.02051	18.7
300.02527	3.9
303.01431	10.3
304.02185	5.6
314.00604	4.7
315.01486	100.0
315.78131	3.0
316.01984	10.2
325.05551	4.7
329.04990	11.0
332.01727	23.0
333.02512	18.2
365.08627	6.0
432.07404	3.6
437.06549	3.8
447.05685	5.6
465.06631	62.3
466.06830	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
57.03326	1.8
58.00474	0.7
59.01253	23.1
63.02261	0.9
65.00195	1.4
71.01252	12.2
71.04893	1.7
71.37980	1.0
72.98774	0.9
72.99184	16.8
73.02816	2.0
79.71648	0.5
83.01269	2.0
83.04906	1.0
85.02831	3.5
89.02320	7.4
95.01254	0.9
99.00758	0.9
99.04424	0.6
101.02323	5.8
107.01257	2.1
108.02081	0.7
109.02835	1.3
111.04398	0.5
112.36941	0.4
113.02332	3.4
119.03394	1.7
119.04935	0.5
121.02835	1.4
121.75182	0.5
125.02367	0.7
135.04445	2.5
141.12630	0.5
148.01520	0.6
151.00261	6.7
151.01360	0.6
151.11227	1.0
152.00919	0.5
163.00296	1.2
163.14853	1.2
164.01019	0.4
169.01453	0.6
169.12256	0.5
178.99792	2.7
181.15930	0.5
183.02849	0.9
183.04416	1.1
183.13849	0.6
184.04585	0.4
187.03944	0.6
199.03928	0.4
209.11810	1.2
211.03868	1.1
213.04379	0.4
215.12895	1.3
217.15862	0.7
226.02596	0.8
227.03424	2.1
237.18739	0.7
239.20262	0.6
243.03030	2.7
245.04402	1.0
254.02229	0.9
255.02959	11.7
255.05499	0.9
256.03323	5.8
257.03519	6.8
258.04047	0.4
259.02582	0.7
265.18085	17.1
266.18433	1.3
271.02469	15.5
272.02878	2.2
273.03687	0.7
283.02509	9.7
283.15839	0.6
283.16367	0.3
283.19131	19.3
284.02866	10.1
284.19498	1.9
285.03040	17.2
285.20801	1.8
286.03680	1.4
299.02042	2.3
299.05585	1.7
300.02765	20.0
300.05927	1.7
301.03482	20.6
301.06656	4.5
301.20389	1.0
302.03806	1.5
316.02142	2.0
317.02951	1.6
375.37515	0.5
419.19284	5.0
420.19577	0.8
445.07730	5.8
446.07712	0.6
448.09106	7.1
449.09653	0.7
463.11783	15.5
463.25513	100.0
464.09576	2.3
464.25821	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	464.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93352	1.0
59.01254	5.7
61.87323	0.8
61.98705	100.0
65.58391	1.0
71.01257	2.7
71.58244	1.0
72.99187	1.0
73.02862	1.2
78.95781	26.2
85.02814	1.1
87.00723	0.9
89.02303	1.5
96.95894	2.4
96.96849	1.5
99.00726	1.0
100.42847	0.9
101.02330	1.5
135.04398	5.0
152.99503	25.7
153.99854	4.1
165.47775	0.9
171.00592	4.6
174.06828	2.3
183.10487	1.1
209.11722	1.6
258.16202	9.8
259.16968	2.2
271.02359	1.7
272.02811	1.8
300.02652	1.0
301.03098	2.5
302.03665	1.5
330.23532	1.1
336.45480	1.0
404.20853	0.9
423.66522	1.0
464.09149	2.6
464.20895	5.2
465.22388	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.9
57.03315	0.8
58.94614	0.6
59.01256	7.1
62.92957	0.6
63.02266	3.1
65.00193	7.2
67.01762	2.1
68.99687	2.6
69.42329	6.2
71.01252	5.8
72.99185	1.1
73.02800	0.7
75.00756	3.8
76.66430	0.7
79.01765	1.3
81.03351	0.7
83.01253	4.5
85.02822	3.6
87.00741	1.5
89.02313	1.8
93.03310	1.2
95.01268	7.7
96.99189	1.5
97.02842	2.2
99.00767	3.3
101.02315	2.5
106.00478	4.3
107.01283	8.4
108.02052	1.9
109.02834	17.4
109.99973	3.5
110.03149	1.0
111.00771	13.4
113.02306	4.0
115.05486	0.9
119.01324	0.7
119.04902	1.5
119.94056	0.7
120.99137	1.2
121.02826	2.5
123.00767	10.4
124.01536	3.0
124.98684	2.8
125.02336	5.7
129.03314	0.7
131.04922	1.4
133.02853	3.5
133.99991	0.9
135.00755	2.4
135.04393	1.0
136.01570	0.8
136.98659	2.0
137.02376	4.1
137.99504	0.8
138.99251	1.0
139.00273	13.7
140.01009	2.5
141.01863	4.0
143.04890	2.7
145.02841	2.8
146.03578	1.4
147.00745	1.0
147.04410	2.1
148.01576	4.5
148.98631	1.8
149.02359	4.3
149.99500	6.4
151.00273	24.5
151.01505	1.2
151.03815	0.9
152.01065	6.5
153.01860	8.4
154.99734	2.0
155.04935	0.8
157.02838	1.3
159.04459	7.2
161.02364	5.9
161.05975	1.5
163.00249	3.9
163.03873	2.2
164.01041	2.2
164.32536	0.6
164.98213	2.7
165.01855	3.2
165.98967	3.7
166.99756	5.4
168.00568	13.9
169.01289	4.0
169.02724	1.3
171.04414	5.2
173.02357	2.9
174.03174	3.5
175.00336	1.3
175.03925	6.5
176.01076	1.4
176.98143	0.8
177.01898	4.3
177.05420	0.8
177.99019	8.0
178.02446	0.7
178.99792	37.0
180.00327	2.7
181.01349	3.1
181.98441	0.7
183.02869	1.0
183.04442	1.1
185.02351	1.8
186.03177	1.1
187.03976	11.8
188.04425	1.5
189.01855	6.7
189.05531	1.8
190.02612	3.5
190.99814	1.3
191.03424	3.1
192.00542	2.8
193.01367	3.4
194.99352	5.9
196.00027	0.8
197.00807	1.8
197.02431	1.4
198.03059	0.8
199.02347	1.3
199.03935	5.7
201.01865	4.4
202.02644	2.8
203.03430	11.3
204.04048	1.4
204.13136	0.7
204.97653	1.9
205.01373	3.8
205.04994	2.0
206.02081	1.3
206.99295	2.7
207.02887	3.1
208.00056	1.4
209.00835	2.4
209.11780	1.5
210.12119	1.4
213.01936	3.2
214.02605	2.6
215.03452	11.9
216.00536	1.1
216.03938	1.6
217.01396	4.1
217.04897	3.7
218.02060	2.2
218.27922	0.7
219.02950	4.4
222.98792	4.5
223.99484	1.7
226.02570	1.1
227.03519	3.2
229.01396	3.9
230.02139	2.7
231.02965	9.5
232.03697	8.3
233.00842	2.9
233.04504	27.4
234.04808	2.0
241.01326	3.1
242.02139	3.1
243.02959	13.9
245.01009	3.6
245.04536	4.1
246.01598	2.7
247.02448	3.8
248.02960	1.2
257.00827	3.6
258.01654	4.0
259.02417	12.5
260.03143	3.6
261.00314	1.2
261.04041	9.6
269.00827	3.0
270.01538	0.9
271.02484	21.7
272.02908	2.0
275.01810	1.7
286.01218	5.0
287.01978	44.1
288.02612	11.9
289.03534	13.4
297.00354	6.2
298.00980	1.0
299.01938	10.0
300.02594	1.2
301.05673	1.8
303.01321	3.3
303.21780	2.3
304.02054	2.6
305.02853	4.9
314.00479	3.9
315.01462	100.0
316.01898	8.4
317.02982	1.0
325.05679	5.0
329.05222	6.5
330.05804	0.7
332.01764	20.2
333.02466	17.9
341.11838	0.8
365.08844	1.1
379.06845	0.9
393.08154	2.2
419.06094	1.3
421.07828	2.1
432.07043	1.2
437.07181	1.6
447.05716	7.9
447.26132	1.1
448.05786	1.2
465.06726	61.5
465.19855	7.5
465.27008	17.2
466.06979	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	463.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55430	0.4
57.03327	0.7
59.01259	2.0
70.63973	0.9
71.01298	0.6
78.95777	24.9
94.98893	0.5
103.02908	0.5
104.97339	0.8
107.13642	0.4
108.64404	0.4
110.98418	17.3
113.09601	2.2
144.08484	0.4
149.00029	1.4
149.02057	0.4
151.00276	0.6
152.99548	1.1
154.45569	0.5
167.01068	16.8
168.01379	0.5
171.10178	3.5
177.12740	0.4
178.99715	0.4
179.14375	1.3
181.12289	0.7
185.02159	5.2
194.98828	4.6
195.13847	15.7
196.14255	1.1
209.11748	1.1
217.00269	0.6
226.85527	0.5
243.03014	0.7
255.02988	1.3
271.02451	2.4
277.21710	18.9
278.22040	1.8
283.46338	0.5
293.21265	1.0
294.21310	0.6
295.22781	100.0
296.23135	9.7
300.02731	4.6
301.03430	2.7
463.10059	3.6
463.24643	34.3
464.09576	0.6
464.24963	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.4
57.03312	1.5
58.00458	1.1
59.01252	20.4
59.67311	0.5
63.02259	1.2
65.00195	1.7
69.03345	0.8
71.01253	12.7
71.57236	0.8
72.54749	0.5
72.99179	8.4
73.02820	4.1
74.02331	0.6
78.95775	0.6
80.96363	0.6
81.03339	1.0
83.01263	4.9
83.04880	3.4
85.02814	6.9
85.99943	0.7
87.00736	2.0
87.37965	0.6
89.02312	4.6
93.03336	1.0
95.01231	1.9
99.00748	2.0
101.02317	11.8
107.01274	3.1
108.02063	1.5
109.02834	2.1
111.00747	1.7
111.04398	2.4
113.02332	4.8
119.03373	1.0
121.02875	3.3
123.00803	1.1
124.01606	0.9
125.02322	1.8
131.03438	0.7
134.03651	0.8
135.00745	0.7
135.04417	15.7
136.42793	0.7
137.02322	0.8
145.02846	0.7
148.01555	1.4
149.99504	2.1
150.99129	1.0
151.00278	12.3
152.01050	1.2
153.01808	1.4
159.02948	0.6
159.04388	0.7
160.03906	1.0
161.04451	1.0
163.00262	2.4
163.03951	0.8
165.01845	1.2
169.01352	1.8
169.05028	1.0
169.82953	0.6
178.99788	6.3
183.02943	3.8
183.04414	0.9
183.13896	0.7
187.03925	0.6
189.95490	0.6
199.03928	1.4
199.13339	0.8
209.11787	2.6
211.03932	1.0
215.03398	0.6
226.02711	0.7
227.03473	2.9
227.12798	1.8
237.18494	2.0
242.02003	1.1
243.02974	6.1
244.03221	1.5
245.04173	1.1
254.02104	2.1
255.02956	12.6
256.03387	1.2
265.18063	3.9
270.01657	0.7
271.02475	33.0
272.02878	5.4
273.03415	2.7
283.02512	1.6
283.19095	3.0
284.02716	0.8
285.03662	0.8
286.04797	1.5
287.01996	0.9
287.04871	1.0
299.02002	3.3
300.02728	44.8
301.03482	44.8
301.07141	11.3
301.20157	3.4
302.03781	3.8
302.07535	1.6
314.04141	1.1
315.04932	0.9
316.01859	3.9
316.04099	0.9
316.05307	1.3
317.02869	2.7
419.19019	1.0
445.07748	14.1
445.24503	1.5
446.08035	1.1
463.08484	18.5
463.25500	100.0
464.09277	2.6
464.25800	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
58.00476	0.4
59.01252	9.1
69.36069	0.3
69.38489	0.5
69.38889	2.6
70.18682	0.3
71.01256	6.8
71.45986	0.3
73.02831	1.8
79.64423	0.3
83.01263	1.1
85.02825	1.8
86.62376	0.3
87.00758	0.8
89.02322	5.1
89.02830	0.4
95.01295	0.5
97.02816	0.3
99.00786	0.4
99.66138	0.3
101.02319	6.9
113.02331	2.8
119.03415	1.4
125.02296	0.3
133.04950	0.4
141.81647	0.3
161.04462	1.8
165.11366	0.4
165.12772	7.7
166.13123	0.3
178.99757	0.3
179.05542	0.4
180.69844	0.3
183.13837	100.0
184.14183	5.4
209.11803	1.9
227.12845	10.0
228.13135	0.4
235.08223	0.8
253.09291	8.3
254.09567	0.4
271.02432	1.1
300.02710	1.3
301.03476	0.8
331.70349	0.4
445.20755	0.9
463.21826	47.1
464.22195	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
58.95188	0.3
59.01257	5.4
69.03356	0.4
69.80226	1.6
70.79578	0.4
71.01256	3.4
72.99212	0.4
73.02821	1.4
83.01260	0.6
85.02843	1.3
87.00739	0.5
89.02322	2.6
97.16507	0.3
99.00818	0.4
101.02334	3.5
111.08046	0.7
113.02343	2.0
119.03403	0.6
133.04901	0.6
140.32098	0.3
151.00224	0.4
157.05078	0.3
161.04478	1.2
165.12769	8.2
166.13142	0.5
183.13837	100.0
184.14169	6.3
209.11717	1.6
227.12848	11.1
228.13289	0.8
235.08240	0.9
243.03065	0.4
253.09280	5.6
271.02368	1.7
292.34277	0.3
300.02606	2.0
301.03473	1.4
383.09338	0.3
445.20694	0.7
463.08704	1.9
463.21832	49.8
464.22153	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65169	0.9
55.01753	2.2
57.03328	3.5
58.00464	3.3
59.01257	100.0
60.01595	1.5
71.01258	38.7
71.58171	1.6
72.99196	4.7
73.02827	13.2
75.00758	9.1
80.02547	1.4
81.03354	2.4
83.01246	3.2
83.04902	6.0
85.02834	18.3
85.20345	1.0
87.00765	6.4
89.02329	25.9
93.03357	1.7
95.01279	1.6
99.00768	2.4
99.04396	2.3
101.02335	18.7
103.03877	4.5
108.02014	1.2
109.02908	1.5
113.02330	6.8
117.01839	1.7
119.03405	5.1
119.08562	28.7
120.01164	1.5
120.08897	2.0
121.10130	1.0
123.08077	1.9
131.03380	1.8
133.91757	1.0
135.02870	1.4
135.04449	1.4
149.09647	1.2
151.00284	1.2
151.11124	1.2
161.02437	1.0
161.04453	4.6
163.07578	11.9
163.11185	3.0
164.07983	1.7
165.01813	1.6
165.09113	2.2
165.12695	1.9
166.02272	1.0
167.10760	1.5
169.12192	1.0
173.04477	2.6
179.03346	1.6
179.05624	1.5
180.04178	1.2
181.08611	3.1
183.10204	2.6
191.05421	1.1
193.12292	2.9
205.12177	1.6
209.11792	63.4
210.12144	5.3
223.13315	2.5
227.12900	10.9
241.14441	21.9
242.14790	2.7
253.09286	9.6
267.06985	1.2
271.02469	2.9
287.01968	1.2
299.83646	1.0
300.02649	3.9
301.03464	2.9
313.12762	2.2
315.14499	10.6
316.14496	0.9
327.14505	18.1
328.14902	1.4
331.13904	2.3
341.86368	1.0
345.15561	31.0
346.15903	3.4
373.13898	1.5
379.74731	1.2
403.19699	24.8
404.20074	3.3
430.38947	1.2
455.07852	1.1
463.08896	1.9
463.17899	32.5
464.18408	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	Unknow
Peak:m/z	Relative Intensity
59.01245	4.3
63.41487	0.9
78.95776	13.7
80.93954	1.0
91.91352	0.9
110.98424	10.1
125.02211	1.0
134.82875	0.9
149.00056	1.7
151.00261	1.8
152.99483	2.7
167.01080	7.5
171.10197	27.4
172.10620	1.0
183.10184	2.4
185.02177	6.8
194.98846	6.2
195.13850	3.7
209.11818	2.2
217.00217	1.5
243.02824	1.5
255.02858	2.5
262.04980	1.2
265.21783	1.1
271.02515	7.6
277.21735	30.8
278.22064	2.4
295.22787	100.0
296.23068	9.6
300.02707	13.2
301.03442	5.9
369.82681	1.2
463.08908	8.1
463.24585	14.5
464.25107	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.7
78.95778	6.7
98.19762	0.8
105.06687	0.4
110.98424	6.1
113.09610	2.1
152.99452	0.9
163.77554	0.4
167.01038	2.4
179.14316	0.9
185.02133	5.8
195.13847	16.1
196.14194	1.2
215.51282	0.4
229.50089	0.5
271.02432	0.5
277.21738	14.4
278.22067	1.6
281.16763	0.6
295.22784	100.0
296.23123	9.0
300.02786	1.1
463.08807	0.9
463.24649	13.0
464.24872	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17156	1.1
57.03308	1.2
58.00468	15.5
59.01250	24.7
69.03358	1.0
71.01248	14.4
71.46449	1.0
71.54967	2.6
72.99177	2.4
73.02818	4.7
75.00734	2.0
83.01286	1.3
85.02834	5.3
89.02307	8.6
99.00755	2.0
101.02306	6.7
103.03870	1.4
107.22180	1.1
108.02087	2.6
111.27061	1.0
113.02341	3.9
118.06451	2.0
119.03396	2.1
119.08543	9.4
122.05997	2.2
124.07571	3.4
132.04453	3.3
146.06026	12.9
148.07555	6.6
152.01006	2.0
156.72360	1.2
158.06049	1.1
160.03867	1.3
161.03362	1.1
161.04645	4.8
163.07565	4.1
165.09148	1.2
167.05782	5.5
168.06635	1.8
173.04343	0.9
174.05542	4.7
175.06274	2.1
176.07088	2.3
179.05672	2.7
188.07039	1.3
191.05824	1.8
193.03745	2.4
195.79286	1.2
204.06592	13.3
205.07314	4.6
207.05351	2.1
209.11777	15.0
216.06647	2.1
217.07518	1.3
227.08186	1.6
227.13007	1.4
237.06325	6.1
241.09872	1.7
243.11356	1.9
249.06258	3.6
253.09450	2.6
255.11388	1.9
269.12915	1.8
271.14478	14.1
276.26740	1.1
283.10941	8.8
297.12451	2.0
299.14111	3.7
300.02719	1.4
313.12469	1.4
313.15717	1.3
315.14481	2.0
325.12021	1.2
327.14523	6.7
329.15100	19.8
330.15460	2.3
341.14969	1.7
341.75366	1.1
343.12976	8.1
345.15591	15.8
355.12949	2.9
365.15308	1.3
373.14023	100.0
374.14377	9.3
385.14133	8.7
403.15070	9.4
403.19727	1.9
404.15079	1.5
409.14120	2.5
420.09314	2.0
427.15262	3.1
445.15933	1.9
463.17487	41.4
464.17810	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03327	2.2
58.00471	3.6
59.01252	100.0
64.95755	1.1
69.67959	5.3
69.68385	3.1
71.01253	23.4
72.99170	2.3
73.02820	13.9
75.00745	3.1
81.03318	2.2
83.01273	3.1
83.04911	1.4
85.02823	19.2
89.02319	19.6
98.20592	2.1
99.00797	2.0
99.04411	1.5
100.85213	1.2
101.02327	17.8
103.03882	12.8
108.02226	0.9
108.34621	1.0
113.48811	1.1
117.01793	2.1
119.03388	5.1
119.08554	59.6
120.08907	2.8
127.03890	1.3
135.02893	5.7
135.04413	1.9
145.04964	2.5
151.00258	2.3
162.61858	1.1
163.06165	1.3
163.07552	31.5
165.09105	1.3
181.08748	1.2
183.10167	1.7
209.11768	2.8
301.03464	4.0
313.73843	1.4
315.14490	4.8
327.14478	61.6
328.14862	5.5
345.15533	88.2
346.16074	7.4
463.18182	73.5
464.18503	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	463.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88338	1.2
55.01749	2.4
57.03298	1.6
58.00457	2.5
59.01255	58.5
69.33152	12.3
71.01257	60.5
72.99181	1.5
73.02818	14.0
75.00741	5.2
75.15908	1.1
76.04542	1.1
83.01270	5.2
85.02822	21.7
87.00765	3.0
89.02321	36.0
95.01259	4.4
98.20568	2.5
99.00764	8.2
101.02326	36.6
102.02628	1.3
111.73165	1.3
113.02338	26.9
117.01804	4.2
119.03405	13.3
121.10127	17.0
131.03406	1.1
135.02878	3.8
143.03369	3.2
149.04501	1.4
151.00313	1.9
159.02904	3.4
161.04482	13.1
165.09116	3.3
167.10674	5.1
168.73320	1.1
179.05547	2.0
183.10194	1.6
191.05386	1.2
209.11809	9.4
212.95448	1.4
215.40369	1.6
223.04343	1.2
227.12814	2.6
253.09216	1.7
255.02756	1.5
271.02557	2.2
300.03006	6.0
301.03543	6.4
301.16644	1.6
315.14352	6.4
345.15549	85.2
346.15799	7.0
438.09818	1.3
441.78989	1.1
463.08313	4.1
463.18207	100.0
464.18567	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	463.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12825	0.2
53.82402	0.3
57.48440	0.2
59.01261	1.2
62.96262	0.3
70.41089	0.3
71.01278	0.3
73.03851	0.2
78.95782	59.2
79.95602	1.8
85.02814	0.3
89.02314	0.3
90.09187	0.2
95.95127	0.7
96.95897	5.2
96.96844	6.5
97.02863	0.6
99.00740	0.3
106.49141	0.2
107.01228	0.3
121.02863	0.4
133.02838	0.7
149.03447	0.3
150.97940	1.7
151.00293	1.3
152.99501	100.0
153.99821	1.5
159.06735	0.3
170.99422	0.3
171.00598	3.7
174.31348	0.3
178.99715	0.3
183.13795	0.3
191.03763	0.3
197.11848	0.6
209.11845	1.7
211.13351	0.5
226.02734	0.3
227.12869	0.5
243.03004	0.8
255.02965	2.1
256.03677	1.3
271.02515	2.9
272.03006	0.4
283.02490	1.9
284.03259	2.8
285.04050	3.9
286.04419	0.4
299.01727	0.4
300.02786	4.8
301.03448	2.5
316.02155	0.6
329.23492	0.6
463.09564	3.1
463.20810	14.9
464.09467	0.5
464.21274	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09307	1.1
57.03312	2.7
59.01253	60.0
61.98695	1.4
66.96291	1.0
69.50123	5.7
70.55034	1.0
71.01255	27.8
72.99182	3.0
73.02816	3.2
75.00738	3.2
81.03302	1.0
83.01254	2.9
85.02807	4.9
85.63084	0.9
87.00758	28.5
89.02330	4.8
95.01239	1.2
99.00774	3.0
101.02326	7.7
109.02859	1.9
112.98704	0.9
113.02325	6.4
115.00257	44.4
116.00590	0.8
118.98602	0.8
119.03432	0.8
120.78233	0.8
121.02809	1.0
123.04422	2.3
125.02339	16.8
133.02846	2.2
135.00725	0.8
135.02904	6.8
135.04407	1.1
137.02339	3.4
142.99709	0.8
143.03391	1.1
149.02333	2.8
151.00227	1.3
151.03902	2.8
152.04654	1.8
153.01768	0.9
159.02887	3.1
161.02357	3.4
161.04457	10.5
161.09645	12.0
163.00270	1.8
163.03867	1.2
164.08328	1.0
165.01819	2.0
175.02403	100.0
176.02699	2.9
177.01889	5.7
178.02577	2.1
178.09904	0.9
179.03397	3.2
179.05548	1.0
179.10719	11.4
191.10640	1.1
193.01230	1.2
202.99812	2.3
204.00539	1.8
205.01381	1.2
205.12270	3.1
212.06859	2.6
223.13371	17.0
227.09206	4.8
237.05484	1.3
283.05991	1.5
285.03940	1.1
289.07047	2.9
300.48105	1.0
301.03259	1.1
327.05121	13.6
328.05322	0.9
345.06247	2.1
368.09900	0.9
377.31546	0.8
403.19705	3.0
419.53131	1.0
463.08817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1248
Annotation	Lanceolin
Peak:m/z	Relative Intensity
57.03324	0.3
59.01252	3.5
65.00150	1.1
65.26463	0.3
71.01260	1.5
71.37738	0.4
71.38065	0.6
72.99149	0.5
73.02767	0.5
78.61562	0.3
79.88608	0.3
83.01234	0.8
85.02802	0.9
86.10927	0.3
87.00732	0.6
89.02293	0.7
91.01751	0.4
93.03298	0.4
95.01238	0.4
96.48477	0.4
101.02293	1.3
106.00434	0.4
107.01241	0.5
107.04870	0.4
108.02056	0.4
109.02776	0.4
113.02320	0.8
121.02855	2.5
123.00742	0.8
124.01517	0.5
134.03633	2.7
135.04411	100.0
136.04755	2.9
145.02974	0.3
149.99483	10.6
151.00281	2.3
152.01112	0.3
161.02370	1.0
163.00311	0.5
163.03860	0.4
165.01851	5.1
168.00514	0.8
169.01355	1.2
178.99800	0.9
179.03551	0.3
183.02905	18.8
184.03304	0.6
209.11829	0.9
226.03258	0.4
243.02968	1.6
254.02333	0.3
255.02936	2.3
259.19186	0.3
268.03870	1.2
268.36197	0.4
271.02460	6.9
271.05057	0.5
272.02979	0.4
283.06235	1.3
285.04245	0.8
286.04877	2.8
297.09811	0.7
299.02112	0.6
300.02759	9.3
300.06061	0.6
301.03714	6.7
301.07126	54.0
302.04288	0.5
302.07455	4.0
316.02463	1.1
317.03088	0.6
463.13278	15.5
463.25552	8.6
464.13461	1.7
464.67380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.7
65.00208	4.0
68.99689	1.2
71.01266	1.5
83.01259	1.3
86.37909	1.0
95.01260	3.7
99.00724	1.1
107.01279	5.1
108.02063	2.8
109.02853	11.5
109.99984	8.9
110.03188	1.2
111.00767	6.4
121.02776	1.5
123.00771	6.2
124.01560	4.9
125.02328	5.2
133.02795	1.8
135.00795	1.7
136.01534	1.4
136.98665	2.1
137.02304	3.1
137.99486	3.2
139.00276	12.0
145.02800	1.1
146.03596	1.1
147.04427	1.3
148.01660	1.1
149.02351	3.2
151.00276	19.7
152.01085	8.8
153.01822	4.3
159.04391	2.8
161.02361	2.1
162.99081	1.4
163.00325	7.7
164.01028	4.4
165.01804	1.7
165.98967	10.1
166.99715	5.6
169.01328	1.3
171.04399	3.5
173.05949	1.8
174.03191	1.7
175.03883	2.3
176.00995	1.0
178.99767	18.9
180.00317	1.0
181.01399	1.5
182.03517	1.5
183.04399	2.2
186.03174	1.0
187.03894	4.9
188.04529	2.0
189.01910	2.2
190.02621	1.3
194.99261	1.9
197.02345	1.1
198.03220	1.8
199.03963	6.6
201.01880	4.0
201.05490	1.9
203.03537	6.5
206.99289	3.6
208.00055	2.2
211.04015	1.5
213.01894	1.6
214.02719	3.2
215.03445	6.3
216.04185	3.2
217.04973	1.6
218.02092	1.6
219.03082	2.0
226.02773	1.6
227.03459	9.4
228.03983	1.6
229.01335	1.9
230.02200	1.5
231.02962	6.8
232.03654	1.4
241.01376	2.0
242.02162	7.5
243.02950	16.2
244.03555	2.9
245.04433	2.3
255.02989	8.4
259.02521	5.7
260.03174	3.5
270.01678	8.8
271.02472	58.5
272.03088	11.6
273.03998	16.2
275.02130	1.5
285.19531	1.3
287.01938	16.9
288.02679	13.2
289.03430	4.4
298.01041	2.3
299.01962	44.1
300.02374	6.6
301.03430	4.5
315.01324	1.1
316.02228	95.9
317.02972	99.4
318.03314	8.1
332.78357	1.2
419.09610	1.3
445.07880	3.4
463.08810	100.0
464.09134	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96679	2.1
59.01233	6.3
61.47912	1.9
71.27572	1.9
71.58241	4.1
78.95775	4.9
80.96409	4.9
83.04893	3.7
93.03315	3.2
97.06442	3.0
107.16814	2.8
109.06483	3.4
111.08051	5.8
129.65288	2.4
135.07997	4.8
137.09590	7.2
152.99472	11.6
164.65698	2.2
203.14299	2.3
213.14847	3.0
231.17555	3.5
255.23344	2.8
275.16602	4.3
279.23315	23.0
280.23706	3.7
315.26865	5.3
325.25317	6.5
341.24854	6.5
343.26395	10.9
351.23096	4.2
359.26050	15.8
369.24426	23.1
370.24756	6.1
387.25409	82.2
388.25699	9.5
443.27820	4.9
461.29031	100.0
462.29236	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	463.0885
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.41927	0.4
59.01255	2.1
61.52561	0.4
63.02273	3.7
63.42965	0.3
64.60367	0.3
65.00193	7.5
69.61196	3.0
71.01264	1.3
72.99192	0.4
83.01260	4.6
85.02812	0.8
89.02280	0.5
93.03363	1.4
94.14159	0.4
101.02319	0.6
107.00525	0.7
107.01270	13.9
108.01592	0.4
109.02835	1.0
111.00735	0.3
121.02840	10.8
124.01540	0.4
125.02388	0.7
135.04434	0.5
139.03912	0.8
148.01550	0.6
149.02333	1.7
151.00282	57.8
152.00717	1.7
156.20172	0.4
163.00256	1.1
163.03986	0.5
164.01088	0.8
169.01344	3.1
175.03911	0.5
178.99785	24.3
180.00180	1.1
183.04515	0.5
187.04111	0.4
192.00604	0.8
193.01334	1.2
201.05499	0.7
205.04991	0.5
211.03886	0.6
215.03355	0.4
227.03490	0.8
229.05099	1.1
230.02299	0.4
243.02950	1.7
245.04565	1.1
255.02946	2.4
256.03534	0.5
257.04602	1.0
271.02509	4.4
272.03003	0.7
273.04068	2.7
283.19034	0.5
299.02075	0.9
300.02744	8.0
301.03528	100.0
302.03854	7.5
317.03088	0.7
325.59885	0.4
445.07791	2.3
451.96829	0.4
463.08826	25.1
463.25598	5.3
464.09164	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	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02293	0.7
60.31283	0.8
65.00183	1.2
68.34002	0.8
69.24688	1.7
69.25098	7.6
83.01270	1.1
88.55167	0.9
107.01277	2.3
108.02060	1.4
109.02893	1.1
119.01342	0.8
121.02851	2.1
148.01569	1.9
151.00282	12.1
163.00301	2.4
164.01115	1.2
169.01338	1.0
178.99808	5.0
199.03935	1.4
211.03915	1.1
215.03494	1.3
226.02747	2.7
227.03424	4.2
228.04045	0.9
229.05054	1.1
243.02928	14.2
244.03441	1.0
254.02296	2.0
255.02966	29.0
256.03391	2.7
271.02472	76.5
272.02853	6.4
273.04105	1.5
283.02368	1.6
299.01932	0.9
300.02750	100.0
301.03470	39.2
302.03925	2.2
343.05115	0.9
463.08826	38.7
464.09045	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	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87024	0.7
56.19749	0.8
57.03306	0.9
57.37043	0.6
58.78531	0.7
59.01000	0.7
59.01257	9.3
63.02265	1.1
65.00191	3.0
70.34108	3.4
71.01248	7.0
72.99169	1.6
73.02808	1.6
75.00744	3.6
76.21318	0.8
76.62611	0.8
80.30041	0.7
83.01271	2.3
85.02821	4.5
87.00740	1.8
89.02301	2.7
93.03333	2.2
95.01241	3.2
98.19872	1.0
99.00747	2.4
101.02340	3.5
104.58466	0.7
107.01245	3.3
108.02053	3.1
109.02829	7.8
109.99954	3.0
111.00739	3.3
112.89973	0.7
113.02323	5.7
117.03333	0.9
119.03388	1.0
121.02888	1.4
123.00757	4.2
125.02339	3.9
131.04836	1.3
133.02826	1.4
135.00766	0.9
135.04414	12.1
136.98708	2.3
137.02341	1.6
137.99475	1.2
139.00267	3.0
145.02829	1.5
147.00838	0.8
148.01593	1.6
149.23871	0.9
149.99425	2.3
151.00273	11.9
152.01100	5.3
153.01830	8.3
154.02138	0.8
159.04399	1.5
161.02278	1.9
163.00250	2.8
163.01535	0.8
163.04016	0.8
165.01811	1.8
165.05501	0.9
165.98940	2.8
166.99747	3.3
169.01347	1.8
171.04359	2.0
173.04478	1.3
173.05936	1.0
178.99800	7.9
183.02864	2.4
183.04399	2.3
183.10158	2.0
185.05972	1.0
187.03915	2.5
190.02646	1.2
193.01419	0.9
193.03403	1.0
198.03113	0.9
199.03978	3.0
200.04665	1.0
201.01833	1.8
201.05550	1.5
202.02698	0.9
203.03387	1.4
206.99037	0.8
209.11787	7.4
211.03914	1.8
213.01825	1.0
213.05501	0.9
215.03413	3.1
216.04283	1.1
218.02032	1.0
226.02705	1.9
227.03438	11.4
227.12866	2.4
228.04156	0.8
229.04846	1.6
230.02119	1.0
231.02879	3.0
239.03384	0.9
241.01370	1.4
243.02966	16.7
244.03581	2.1
245.00868	1.4
245.04576	1.1
246.01576	1.1
254.02197	3.2
255.02966	37.0
256.03613	5.4
257.00946	0.9
257.04556	8.6
258.01746	1.6
259.02423	2.7
271.02478	48.5
272.03122	13.6
273.03906	2.4
282.01700	1.3
283.02460	13.0
284.03091	1.6
285.00482	1.4
285.03888	1.5
286.01151	1.8
286.04645	1.0
287.01880	4.1
299.01886	1.3
299.14029	1.0
300.02737	77.0
301.03546	41.0
301.07098	7.4
302.00656	1.6
302.03845	1.8
303.01382	3.1
312.99890	2.2
314.00494	1.7
315.01318	1.2
316.02206	1.1
317.02911	1.2
329.15680	1.5
331.00943	4.8
341.14984	1.0
343.06592	1.4
419.10037	1.3
435.05240	1.2
445.07660	1.6
463.08731	100.0
463.17395	6.9
464.09299	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	461.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89408	0.5
53.42268	0.5
58.36816	0.5
59.01246	1.6
69.03304	0.5
78.95787	9.9
78.96228	0.9
99.15232	0.5
109.44452	0.5
110.98419	8.2
111.08010	0.6
127.90385	0.4
147.95671	0.4
152.99570	0.8
167.01053	3.3
171.10170	0.7
175.99664	0.5
179.14352	1.1
185.02150	7.6
195.13850	9.0
196.14537	1.1
205.12309	1.1
207.10309	0.7
211.13451	0.6
223.11378	0.7
223.13399	8.5
224.13644	0.6
225.11308	0.7
256.13223	2.6
265.21786	0.8
275.20224	5.2
293.21249	100.0
294.21588	10.0
461.23166	14.3
462.23386	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57547	0.3
57.03316	3.5
59.01249	2.6
69.35491	0.4
70.10035	1.7
77.01404	0.4
78.95783	7.4
97.06503	0.8
104.97334	0.5
109.06478	1.1
110.98428	6.7
113.09615	14.1
114.09969	0.7
121.10114	1.4
139.11191	1.5
140.33994	0.4
149.09607	1.0
152.99553	0.5
167.01074	3.4
167.10739	2.0
171.10207	3.2
174.14378	0.4
177.12845	0.9
179.10725	1.8
183.13843	1.6
185.02151	7.0
195.13860	2.4
207.10210	0.6
211.13387	0.6
223.13264	0.5
225.11345	0.5
241.01613	0.5
249.22208	1.5
271.02740	0.4
275.20187	5.5
276.20422	0.6
293.21249	100.0
294.21576	10.8
461.07349	0.8
461.23154	9.1
461.28799	0.5
462.23370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	4.3
59.01252	4.8
63.28318	0.7
64.50028	0.7
71.01240	0.8
78.95779	23.2
83.04945	0.8
84.74365	0.7
91.03876	2.2
92.92162	0.8
93.59683	0.7
97.06467	1.4
109.06454	1.1
110.98409	14.9
113.09621	15.6
114.09903	0.8
125.09762	0.8
139.11147	1.3
149.09627	1.2
152.99510	3.6
157.08633	0.8
167.01065	14.3
167.10681	1.4
171.10205	1.9
175.03928	0.8
179.10652	2.8
181.12421	0.8
185.02133	6.4
185.11501	0.7
195.13829	3.0
207.10233	1.9
225.11285	1.1
241.01410	1.8
245.00871	1.3
249.22229	2.5
251.23866	2.1
270.01755	1.4
271.02295	1.1
275.20016	2.6
293.21237	100.0
294.21573	9.4
299.01999	1.9
313.23788	1.6
315.01569	2.3
455.37018	0.9
461.01010	0.8
461.07288	2.8
461.23141	25.3
462.23480	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	461.2915
Annotation	Verbacine
Peak:m/z	Relative Intensity
57.03327	2.2
59.01259	14.3
65.97507	1.2
69.03337	1.0
71.01274	1.3
71.04916	1.7
71.49552	1.8
78.95781	3.8
83.04898	4.6
93.03359	1.4
95.04939	2.4
97.06482	1.1
107.04892	1.4
109.06487	4.1
110.69755	1.1
111.08045	4.0
119.08677	1.0
123.08065	1.3
125.09751	1.1
135.08017	3.7
137.09607	3.8
139.07527	1.4
152.99484	6.5
161.09618	1.4
163.07602	1.3
165.80147	1.0
177.12674	1.4
181.12201	1.1
193.12257	1.3
195.13881	1.4
203.14363	4.2
205.15808	1.5
207.17470	1.6
211.13295	1.5
213.14900	2.5
221.15346	2.3
223.13409	1.2
231.17599	3.0
236.06047	1.1
237.14920	1.7
237.18634	1.7
239.16507	4.7
241.17984	2.0
265.18143	4.3
270.80933	1.1
275.16681	3.0
277.18314	2.1
279.23282	10.2
280.23865	1.3
315.26935	7.6
325.25317	10.5
341.24799	6.1
343.26410	11.8
344.26862	1.4
351.23218	4.9
359.25916	16.5
360.26334	2.1
369.24316	24.4
370.24472	3.0
387.25433	81.7
388.25717	10.9
405.26276	1.7
433.29538	2.8
443.28043	3.9
461.29095	100.0
462.29565	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24090	9.7
56.83192	8.7
59.01247	100.0
71.01250	36.5
71.25710	13.0
71.26058	19.7
73.02831	11.3
85.02837	27.7
89.02328	32.0
101.02345	16.0
113.02315	11.9
135.02905	10.2
139.07556	28.7
152.95093	10.4
161.04477	18.1
168.07835	19.1
191.10619	22.7
223.93971	10.6
239.12842	34.1
247.51329	10.0
265.18585	9.8
271.07864	10.7
321.20493	10.0
337.07748	10.3
344.85471	10.4
401.17926	40.3
461.13190	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	461.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09447	0.6
53.32710	0.6
55.44641	0.6
59.01245	1.0
69.37714	5.8
78.95774	10.6
98.19833	1.2
106.66602	0.6
110.98429	7.5
120.02560	0.6
141.95209	0.5
148.92477	0.7
159.22908	0.6
167.01042	3.1
179.14290	1.2
185.02138	5.7
195.13832	8.2
196.14497	1.6
205.12207	1.3
205.15855	0.8
211.13397	0.7
223.13362	8.4
228.13606	1.1
237.08969	0.6
256.13049	1.9
275.20148	5.6
293.21228	100.0
294.21542	8.4
321.89261	0.5
336.33398	0.6
392.15207	0.7
455.86252	0.8
461.23193	14.8
462.23306	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2311
Annotation	Mulberrofuran X
Peak:m/z	Relative Intensity
59.01259	2.2
65.55792	0.8
71.01272	1.0
71.50108	1.1
73.02855	0.8
78.95779	34.0
79.82760	0.7
97.42284	0.8
104.97366	1.4
109.06487	2.8
109.80499	0.7
110.98420	24.3
110.99142	1.5
114.39893	0.9
137.00005	1.2
152.99506	2.5
157.31570	1.0
163.11243	1.3
167.01067	22.8
181.12280	1.2
185.02132	6.2
195.13840	12.5
196.14394	1.2
207.10204	7.7
211.13290	1.4
223.13306	9.1
225.11255	5.3
228.13687	1.3
241.01459	1.5
245.01097	1.2
253.09276	1.3
256.13132	2.5
270.01819	1.2
271.02551	2.0
275.20215	5.8
293.21231	100.0
294.21545	9.3
299.02048	1.6
315.01538	1.5
392.16415	1.0
461.07419	1.6
461.23227	43.4
462.23782	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16124	0.4
57.03319	1.1
59.01254	18.1
69.45904	2.9
69.46319	1.6
70.38758	0.4
70.71455	0.5
71.01255	5.5
72.99186	2.6
73.02825	1.2
74.02359	0.8
75.00749	100.0
76.01098	0.9
78.06688	0.5
83.04898	0.6
85.02820	4.6
87.00771	0.8
89.02333	3.4
95.01263	0.7
97.02797	0.7
99.00773	1.1
101.02313	2.7
109.02854	1.0
113.02330	2.2
115.00287	0.6
119.08565	1.5
121.02795	0.6
121.06448	0.5
128.03465	0.5
129.01846	2.3
134.03615	0.6
139.03923	0.5
143.83107	0.5
149.02344	0.6
151.00253	0.6
161.04520	0.8
163.07582	1.4
165.01959	0.8
166.72905	0.6
179.03339	0.6
179.10707	2.2
193.01357	1.3
193.12299	0.9
203.10698	2.5
206.09535	0.9
207.10132	0.7
221.11807	9.9
222.12102	0.7
222.19565	0.5
225.11345	1.1
228.97153	0.4
236.09363	1.0
239.12799	0.5
249.06105	1.0
267.07275	1.7
284.40070	0.6
313.13000	1.3
331.14120	2.8
341.02951	0.9
345.15732	1.6
374.43982	0.5
461.20471	0.7
484.65198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21227	0.4
59.01253	100.0
60.01578	1.2
71.00917	0.7
71.01243	3.2
72.99182	0.9
73.02832	1.0
73.38111	0.4
74.02359	1.3
75.00742	3.3
78.95780	1.5
79.21632	0.4
83.01254	0.6
85.02834	2.7
87.00778	1.1
89.02323	0.7
99.00772	1.3
101.02335	1.9
109.06462	0.4
113.02335	2.3
115.00245	0.5
152.99503	1.4
153.12752	5.5
153.59474	0.5
157.08865	0.4
161.04538	0.4
170.03511	0.5
171.68513	0.4
179.10725	2.3
197.11778	9.6
207.10254	0.9
214.02632	0.5
225.11263	0.9
241.01410	0.5
270.01761	1.0
271.02545	1.0
283.81665	0.4
299.02151	0.6
315.01620	1.4
316.02222	0.5
336.15149	2.6
336.65338	1.1
341.06607	0.5
461.08096	1.2
461.19296	1.9
461.68567	0.9
462.27115	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01591	1.6
62.83696	0.4
69.83477	1.0
69.83887	2.1
71.01255	3.0
72.99190	1.4
73.02831	0.9
74.81430	0.4
75.00739	2.0
75.51728	0.4
81.03382	0.4
85.02850	1.3
87.00752	0.7
89.02336	1.6
93.03311	0.6
99.00774	0.9
101.02358	1.2
109.02869	0.6
112.02914	0.4
113.02349	2.0
125.02387	0.6
137.02403	0.7
151.00275	0.8
153.01909	1.1
153.05521	1.3
160.04053	0.5
163.11337	0.4
175.02402	0.4
175.03975	0.5
181.08609	0.7
199.09784	0.5
207.10292	0.9
211.06055	3.0
215.03539	0.5
225.11324	2.1
249.06201	3.7
271.02567	0.5
285.04050	3.4
315.01523	1.2
461.07294	0.7
461.13074	1.8
461.20285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66159	1.7
55.01772	2.5
56.27449	1.7
57.50487	1.8
59.01255	46.7
69.57275	3.2
69.57674	13.0
71.01255	53.8
72.99200	3.4
73.02824	6.6
74.49041	1.8
75.00753	3.0
83.01256	3.0
85.02836	11.9
89.02319	22.3
95.01259	3.6
99.00740	3.9
101.02329	20.7
105.39249	1.5
105.87936	1.4
108.02020	2.2
111.04469	1.8
113.02324	16.8
115.00269	17.7
115.91979	2.4
116.92741	2.5
119.03392	8.4
121.10122	6.3
123.04439	10.9
125.02353	4.9
127.33266	1.7
161.04459	9.7
165.09064	1.8
167.03423	36.9
173.04469	2.7
179.05505	2.7
207.10204	2.8
225.11246	4.6
233.06569	3.1
244.23575	1.9
269.06570	1.7
271.02429	2.6
299.01984	4.2
301.16888	3.0
341.08701	2.7
345.15546	100.0
346.15808	10.1
458.28217	1.7
461.12344	16.7
462.13431	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	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77413	2.6
59.01254	100.0
62.04611	2.8
69.81213	15.3
71.01253	71.4
72.99168	5.4
73.02852	4.1
75.00778	3.6
85.02824	13.2
85.79969	2.8
86.42813	3.0
87.00757	9.0
89.02323	90.8
92.88699	3.1
93.03333	2.7
95.01271	4.1
98.20551	3.9
100.76421	2.7
101.02331	38.0
109.02876	2.8
110.73567	2.8
110.74413	2.9
113.02341	28.5
115.00233	5.0
119.03404	44.4
123.04404	5.1
125.02314	8.2
131.03419	4.6
134.11903	2.8
135.02896	5.9
137.02315	8.0
143.03424	9.7
147.08125	3.3
153.09125	5.5
161.04408	10.9
175.02362	10.3
179.05557	15.3
190.20778	3.2
193.01277	4.0
203.10689	7.1
206.09412	5.3
221.11794	16.4
401.18243	17.0
461.13339	6.3
464.50244	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	9.6
59.01249	38.5
65.32354	3.0
69.45828	25.2
71.01257	47.5
72.99178	24.1
73.02815	8.8
75.00748	40.2
85.02823	54.5
87.00767	19.0
89.02306	17.3
93.03339	7.1
95.01261	12.8
96.16808	3.2
97.02834	3.9
99.00758	16.4
101.02336	18.3
103.00251	12.7
113.02344	68.6
115.00214	5.0
115.08715	4.4
119.03413	3.9
123.04404	42.8
127.00356	3.3
129.01819	6.1
137.02380	5.7
165.01724	4.7
167.03331	4.0
167.07118	4.5
175.02379	9.2
178.57889	3.5
193.03458	60.3
221.11771	5.5
235.04552	20.9
285.09769	8.3
291.00217	3.5
329.14584	5.6
337.07828	39.9
355.08823	22.2
442.61157	3.9
443.11896	4.1
461.12976	100.0
462.13287	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	461.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	6.0
59.01535	0.4
60.01553	0.2
60.69146	0.2
65.00188	0.2
69.03300	0.4
71.01257	2.7
72.99144	0.6
73.02772	0.6
75.00697	0.9
78.95782	1.7
83.01243	0.4
85.02831	1.5
87.00723	0.7
88.98673	0.2
89.02337	1.3
91.03858	0.4
95.01221	0.4
96.96851	0.3
97.02792	0.4
98.20660	0.5
99.00701	0.6
101.02325	1.1
107.01270	0.4
108.01972	0.2
109.02801	0.6
109.06443	0.5
113.02353	1.4
119.03318	0.3
119.04860	0.9
121.02821	0.3
123.04363	0.6
124.01511	0.3
125.02328	1.2
131.03271	0.2
133.02791	1.3
134.03606	0.4
148.01483	0.2
149.04411	0.2
149.99469	0.5
151.00208	0.8
151.03882	0.2
152.99493	2.7
161.04437	0.4
163.03799	0.3
163.11125	0.4
165.01912	0.4
166.02599	0.2
167.10629	0.4
168.00519	0.7
171.10100	0.6
175.02338	0.4
175.03784	0.3
177.01814	0.6
178.09445	0.2
179.14409	0.2
180.14661	0.3
187.03876	0.3
189.01851	1.3
190.02718	0.2
191.03398	0.3
195.13756	0.7
196.14116	0.8
203.03352	0.6
205.12286	1.1
206.12579	0.8
207.10175	0.9
211.13335	0.4
217.01350	0.5
217.05005	0.3
223.13367	5.8
224.13704	6.4
225.11311	1.1
225.13924	3.2
227.03371	0.5
229.31276	0.2
229.33307	0.2
231.02937	0.5
241.01408	1.1
242.02075	0.6
245.00880	0.5
249.06082	0.5
253.09293	1.2
254.09708	1.1
255.02968	3.9
255.09743	0.9
256.03732	2.0
270.01617	0.9
271.02365	0.8
283.02603	1.8
284.03268	53.1
285.03677	4.0
287.01865	0.4
298.01413	0.5
298.04819	2.1
299.05606	100.0
300.05957	8.6
309.07690	0.3
315.01639	0.5
327.21790	2.0
328.05951	0.5
336.15067	1.1
337.06799	0.5
341.06567	1.1
461.11151	18.3
461.19443	1.4
462.11517	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	461.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	0.3
57.34484	0.3
59.01257	1.6
65.00195	0.9
69.05286	0.3
71.01250	0.9
73.86824	0.3
81.03322	0.5
83.55592	0.3
85.02853	0.4
91.01765	0.3
107.01293	0.6
108.02055	4.9
109.02844	75.6
110.03170	1.9
117.03360	2.7
119.04916	1.4
123.00787	0.7
135.00905	0.4
143.04984	0.5
145.02856	7.3
145.03922	0.6
146.03293	0.6
151.00240	1.6
152.01094	3.6
153.01852	100.0
154.02203	3.6
159.04437	0.6
163.00246	0.5
163.03899	1.2
171.04420	0.8
172.01648	0.5
173.02446	0.3
174.03107	0.7
175.03999	0.5
178.99800	0.8
185.02333	0.6
186.03142	0.3
187.03957	1.3
189.01941	0.4
198.03282	0.4
199.03969	0.6
201.01949	0.6
202.02655	0.6
203.03444	0.8
208.54068	0.3
213.01877	0.5
214.02644	0.9
215.03462	1.0
225.11310	0.4
227.03584	0.4
229.01422	0.8
229.49577	0.4
230.02226	1.1
231.03006	0.6
241.01471	1.8
242.02231	1.6
243.02954	1.1
245.00905	0.8
257.00870	2.3
258.01654	1.2
259.02368	0.6
261.00464	0.9
269.00830	1.5
270.01651	1.1
271.02554	2.2
286.01218	1.4
287.02002	3.8
297.00439	1.4
298.01099	0.8
299.01895	2.2
300.70468	0.4
301.03604	0.7
307.08197	4.3
308.08725	0.4
314.00656	2.1
315.01459	7.9
315.06934	1.8
316.01825	1.0
316.38443	0.3
413.55463	0.4
433.07626	0.6
461.06238	4.1
461.20749	0.4
462.07477	0.7
479.41608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.4
59.01254	76.7
59.41469	0.7
69.03331	5.5
71.01263	8.8
72.99201	1.8
73.02841	3.9
75.00750	3.9
78.95770	0.9
81.03342	2.1
83.01279	2.9
85.02841	6.2
87.00780	1.8
87.61611	0.8
89.02350	3.2
91.03890	1.8
93.03350	0.8
95.01283	2.8
97.02831	6.0
97.06481	0.9
98.77210	0.7
99.00782	2.4
101.02338	4.7
107.01297	1.9
108.02095	1.0
109.02857	2.1
109.06435	1.4
113.02314	5.3
114.57711	0.8
119.03432	0.9
121.02808	1.2
123.00777	8.9
124.00661	1.4
124.01567	26.2
124.67829	1.0
125.02347	62.6
126.02695	2.6
137.02396	3.6
147.04451	5.1
149.99498	45.3
151.00185	3.9
152.99576	1.2
153.12781	6.7
161.04486	1.8
161.09970	0.8
163.03940	1.1
163.11215	1.2
167.03363	1.2
168.00562	72.0
169.01276	6.1
171.10239	3.6
179.10730	2.2
197.11765	12.4
207.10233	3.4
211.13313	2.0
214.02649	1.2
215.03499	1.0
221.11700	0.9
225.11290	4.3
241.01390	3.8
242.02161	1.1
243.02773	1.2
245.00926	2.0
255.03064	1.8
270.01755	5.7
271.02472	5.1
283.02560	2.1
284.03229	1.0
287.01917	1.2
297.00378	1.0
298.01263	1.5
298.04968	1.2
299.02069	5.1
299.05624	2.3
299.09033	1.2
300.02893	1.0
309.20740	1.9
313.05801	2.5
315.01581	3.6
315.04950	0.9
327.21811	11.3
328.02356	1.7
329.03006	0.9
336.15222	2.5
369.06482	0.9
433.07895	1.0
443.09763	3.9
461.11075	100.0
462.11423	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	461.1091
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
55.79565	0.5
57.03318	0.8
59.01247	7.6
69.56782	1.4
69.57190	2.8
71.01260	4.9
73.02809	2.4
81.03315	1.6
83.01207	0.6
85.02822	3.3
89.02335	2.7
93.03331	2.0
95.01265	1.3
99.04459	0.6
101.02320	2.0
107.01314	1.0
108.02056	69.8
109.02850	37.2
109.03610	1.3
110.03179	1.2
113.02334	1.0
117.03354	26.7
118.03707	1.2
119.04916	7.6
121.02844	1.6
123.00777	1.4
123.04410	1.1
133.02824	0.9
133.17041	0.7
135.00797	0.8
135.04391	0.7
145.02859	71.2
146.03169	3.2
151.00293	1.8
151.03914	0.9
152.01062	90.4
153.01851	33.3
154.02193	0.9
161.02386	1.4
163.00284	0.9
163.03917	5.3
165.01848	0.8
193.01350	0.7
204.94864	0.6
213.05492	1.3
214.02704	0.6
215.03429	0.8
217.01331	0.7
241.01447	3.1
242.02158	2.0
243.02977	1.3
245.00922	0.8
257.00891	2.5
258.01660	0.9
259.02356	0.9
261.00299	0.8
269.00876	0.9
270.01697	0.9
271.02408	3.5
281.17593	5.0
286.01294	1.4
287.02045	3.5
297.00415	1.7
299.02014	3.8
307.08173	3.2
311.17078	0.6
314.00558	1.1
315.01755	6.6
315.07220	47.0
316.01987	1.0
316.07623	3.2
406.66241	0.6
407.26245	0.6
417.11966	1.6
433.07764	1.4
461.11005	100.0
462.11490	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93742	0.6
59.01257	14.1
65.00169	0.8
68.23785	0.5
69.24462	5.6
69.24873	1.3
71.01262	5.7
72.99138	1.1
73.02779	1.3
75.00707	1.1
83.01251	1.0
85.02783	2.7
87.00720	1.4
89.02322	3.4
97.02759	0.8
99.00689	1.4
101.02351	3.4
107.01246	1.4
108.02003	1.2
109.02793	2.6
109.06444	2.2
113.02322	3.1
117.03320	1.4
119.03326	1.8
119.04870	1.4
123.00797	0.8
123.04414	3.3
132.05714	0.6
145.02863	4.6
149.99440	0.6
151.00230	3.1
152.01042	1.4
153.01826	3.6
153.05428	2.8
161.04413	0.9
163.11148	1.5
171.04494	1.6
178.99777	1.3
181.08434	0.6
187.03900	1.0
199.03981	1.0
207.10214	7.2
211.13411	0.8
214.02557	1.1
215.03435	1.0
225.11307	5.7
227.03503	1.1
239.10622	0.9
241.01421	3.5
242.02084	2.0
242.47777	0.6
243.02721	0.7
245.00952	1.2
249.06302	0.7
253.09244	0.9
255.02985	84.2
256.03400	4.8
257.00803	0.9
259.02341	1.0
267.07175	0.9
268.03860	1.0
269.04660	3.5
270.01709	3.6
270.04462	0.8
271.02548	6.4
283.02484	53.9
284.03137	13.4
285.03989	2.5
286.01233	1.4
287.01993	2.8
297.00586	1.4
297.04031	11.5
298.01373	1.6
298.04758	15.2
299.01984	7.7
299.05585	10.8
299.15030	0.8
300.05969	1.3
301.03610	2.1
307.08313	3.0
313.03479	4.5
315.01425	4.5
316.02252	1.2
317.03085	0.9
329.16174	2.1
387.11340	0.7
424.69952	0.6
433.08167	0.9
446.08606	18.5
447.09067	1.4
461.11105	100.0
461.20950	3.5
462.11520	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32510	0.5
59.01136	7.8
59.01472	2.6
65.00125	0.7
71.01138	2.5
71.01553	1.1
73.02718	1.1
75.00633	1.1
85.02717	1.4
85.14996	0.5
89.02225	1.1
101.02209	1.6
107.01157	0.9
113.02178	1.8
113.02883	0.5
117.03240	1.3
127.69178	0.4
128.07944	0.5
151.00285	2.8
155.04770	0.7
171.04317	0.8
176.02113	0.5
178.99632	0.8
182.03632	0.5
183.04446	3.8
185.02226	0.6
199.03905	1.1
207.08368	0.6
207.10147	1.2
211.03868	3.3
211.13272	1.5
225.11275	0.8
227.03474	3.9
241.01271	2.0
242.02184	1.1
243.02914	1.3
249.06062	0.7
255.02968	50.9
256.03329	3.6
259.02432	0.6
270.01669	1.7
271.02481	6.7
281.17612	2.6
283.02469	100.0
284.03165	24.8
285.03711	0.9
297.04004	0.6
298.01373	0.8
298.04761	2.4
299.02115	4.2
299.05588	45.5
300.02927	0.8
300.05887	3.1
301.03632	0.9
314.00674	0.6
315.01599	0.7
316.02188	1.0
341.06873	1.2
433.07654	0.8
446.08521	9.0
446.14331	0.8
447.09247	0.8
461.11292	34.4
461.20483	1.0
461.24750	1.6
462.11588	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.8
61.65447	0.2
64.34306	0.2
65.00191	0.2
65.43481	0.2
71.01255	0.9
81.03328	0.5
85.02824	0.2
89.02309	0.4
91.01780	0.4
93.03330	0.2
101.02308	0.4
108.02048	3.6
109.02835	75.4
110.03159	2.4
113.02325	0.3
117.03352	2.5
119.04905	1.4
119.48596	0.2
121.02884	0.3
133.99960	0.2
143.04892	0.2
144.48061	0.2
145.02858	8.1
146.03224	0.4
151.00266	0.5
152.01067	2.2
153.01839	100.0
154.02180	3.8
160.01489	0.2
163.03943	1.0
167.32014	0.2
178.99777	0.2
186.03110	0.2
187.03970	0.4
189.01859	0.2
201.01891	0.2
207.10268	0.3
211.13220	0.2
215.03484	0.2
225.11319	0.6
227.03519	0.2
241.01418	0.9
242.02129	0.5
243.03062	0.3
245.00815	0.4
255.02934	0.6
257.00897	0.5
258.01520	0.2
259.02438	0.3
261.00281	0.3
269.00854	0.3
270.01736	0.9
271.02463	1.3
285.03946	0.3
287.01987	0.5
297.00479	0.3
298.01193	0.8
299.02060	1.8
300.02692	0.3
301.03467	0.4
307.08252	4.3
308.08679	0.4
314.00839	0.2
315.01563	1.4
315.07166	1.3
316.02036	0.2
328.02570	0.2
329.03186	0.2
329.16025	0.2
345.15463	0.3
350.71075	0.2
433.08127	0.2
461.06915	1.3
461.11386	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
54.77444	0.5
107.04911	29.3
108.05233	1.6
118.01967	0.5
123.66124	0.5
126.58229	0.7
163.11205	100.0
164.11513	5.2
283.17047	24.0
283.19516	0.4
284.17316	2.8
295.17023	13.1
296.17450	1.3
451.76138	0.8
459.29059	79.1
460.23413	1.1
460.29419	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	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.6
60.39614	0.5
65.00189	0.6
69.47288	2.1
69.47716	1.7
71.01257	4.6
72.99168	0.9
73.02834	0.9
73.43806	0.4
75.00751	7.7
83.01228	0.4
85.02838	1.9
87.00775	1.1
89.02335	2.4
99.00758	1.0
101.02325	2.1
103.60152	0.4
111.00791	0.5
113.02326	2.1
115.00255	1.4
119.03405	1.0
121.02835	0.7
125.02344	0.5
133.02852	10.7
134.03204	0.6
135.00797	0.9
147.00746	0.5
151.00262	0.8
153.01839	0.8
161.02385	0.8
163.03937	0.8
165.01836	2.2
181.08652	1.3
183.04350	0.6
187.03920	0.5
188.04729	0.9
199.03943	1.0
200.04745	0.8
211.03992	3.7
212.04807	3.3
221.11746	0.5
225.05568	0.9
227.03482	2.4
228.04268	1.0
233.06667	0.5
239.03461	1.3
241.05066	0.7
249.06075	0.5
255.02953	2.3
256.03757	11.4
257.04291	0.8
267.02957	1.4
268.03650	1.4
269.04581	3.0
270.05173	0.9
283.02521	4.3
284.03271	14.8
285.03638	1.4
298.04803	3.9
299.05612	100.0
300.02957	0.4
300.05963	8.6
341.03040	1.7
345.15555	4.6
420.55289	0.5
455.53165	0.5
461.10980	9.6
461.16797	1.1
462.11505	0.9
478.01218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.6
57.03335	0.7
58.00484	0.3
58.51337	0.3
59.01254	100.0
60.01588	1.3
69.37833	1.4
69.38270	1.8
71.01257	7.9
73.02827	2.5
80.02255	0.3
83.01264	1.4
85.02833	4.3
87.00762	0.4
87.04409	0.8
89.02321	2.5
95.01279	0.9
99.00775	1.3
100.46188	0.3
101.02340	3.4
111.00751	0.4
112.98701	0.6
113.02338	7.0
119.03438	0.7
119.04933	0.4
145.02905	0.4
159.02986	0.4
161.04503	3.1
172.30098	0.3
173.01114	0.3
174.01654	2.3
175.02478	0.4
179.51237	0.3
197.12556	0.3
211.13510	0.5
223.13327	0.4
255.19940	0.6
267.07037	0.4
281.10333	0.4
289.13605	0.3
290.61163	0.3
399.23953	4.9
400.24298	0.6
417.25296	1.7
459.22574	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82832	0.7
55.45428	0.6
56.09648	0.7
59.01252	100.0
67.68961	0.7
70.87762	2.0
71.01261	1.9
73.02825	1.2
75.36510	0.7
78.95793	2.3
80.64470	0.6
86.10739	0.7
110.98386	1.5
111.08041	1.1
112.79982	0.8
147.04401	0.8
167.01114	1.4
185.02141	1.0
189.29597	0.7
195.13805	1.5
199.42691	0.9
214.86899	0.8
239.28995	0.7
249.18634	1.0
275.16611	0.9
291.19666	19.8
292.20099	2.0
293.17664	1.9
325.20090	7.0
326.20236	0.8
328.28442	0.7
385.23788	1.1
459.21396	2.9
459.28018	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	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50902	0.2
55.01770	0.3
55.29831	0.2
57.03315	0.6
57.53446	0.2
59.01254	100.0
59.42310	0.2
60.01591	0.9
63.77809	0.2
69.03337	0.4
71.01260	7.9
71.57243	0.2
71.57597	0.4
72.01604	0.2
72.99192	0.7
73.02827	2.5
75.00763	0.5
83.01260	1.6
85.02837	2.9
87.00779	0.6
87.04388	0.7
89.02321	3.2
95.01286	0.6
97.02884	0.5
99.00777	1.0
101.02332	5.4
101.05981	0.9
109.02798	0.3
111.00790	0.8
112.98662	0.4
113.02354	2.9
115.00291	0.3
119.03441	1.0
121.02874	0.5
124.01559	0.5
125.02354	1.0
131.03439	0.3
142.99756	0.3
143.03410	0.7
153.01840	0.4
161.04485	2.1
168.00540	0.3
174.01662	1.6
175.02393	0.3
175.03893	0.3
179.05571	0.5
209.11786	0.2
211.13387	0.5
223.13426	1.1
227.03474	2.1
240.04179	0.4
243.03093	0.3
255.02992	2.2
255.19739	0.4
256.03644	0.4
261.35919	0.2
271.02591	0.5
284.03317	1.6
285.03967	0.4
297.03998	0.3
297.20761	0.3
300.02835	0.4
313.03723	0.7
314.03952	0.3
315.14581	0.4
381.22903	0.7
399.23935	1.9
417.25052	1.6
418.24893	0.4
459.09277	2.3
459.22119	0.3
460.22351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03328	0.8
59.01255	100.0
60.01573	0.8
69.03357	0.6
69.23702	4.9
69.24131	1.4
70.81858	0.5
71.01257	12.8
72.99198	1.0
73.02822	6.0
75.00746	0.8
83.01276	1.8
85.02822	4.1
86.10484	0.5
87.00755	1.4
87.04393	0.9
89.02316	6.5
95.01275	1.5
99.00745	3.0
101.02326	8.6
101.02934	0.9
111.00824	0.9
113.02345	6.9
119.03423	1.8
125.02394	0.8
129.01971	0.5
141.97656	0.5
143.03386	0.9
153.01801	0.6
161.04475	3.4
161.05647	0.5
165.12694	0.6
168.04243	0.7
174.01691	1.9
179.05565	0.8
183.13901	1.9
204.60132	0.6
223.13483	1.1
225.89499	0.5
255.19885	0.7
261.31323	0.6
297.20602	0.7
299.02106	0.5
300.03174	0.5
303.42267	0.5
381.22891	0.6
399.23935	5.7
417.25018	6.8
459.22787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.3
57.03333	0.8
58.00463	0.5
59.01254	12.2
65.61441	0.1
69.03329	2.4
69.88352	0.2
71.01261	5.6
71.04897	0.7
71.57870	0.3
72.99197	0.3
73.02822	1.0
75.00764	0.3
81.03353	0.3
83.01263	0.8
83.04909	0.3
85.02832	1.7
85.06451	0.5
87.00760	0.7
89.02325	5.0
93.03329	0.3
93.11964	0.2
95.01267	0.5
95.04894	0.5
97.02836	0.5
97.06488	0.3
99.00764	0.5
101.02333	5.0
102.68542	0.2
109.06529	0.4
113.02338	2.4
119.03403	1.1
125.02321	0.3
125.09621	0.2
135.11685	0.4
141.09135	0.2
143.03406	0.4
149.04457	0.2
149.09666	0.4
151.11220	0.2
151.46927	0.2
161.04463	2.1
161.09525	0.2
161.13310	0.6
167.10701	3.3
167.64941	0.2
177.12758	0.4
179.05557	0.7
179.10748	1.2
179.14343	3.1
180.14658	0.2
187.11182	0.5
195.13857	9.6
196.14148	0.8
205.12305	9.4
205.14320	0.2
206.12683	0.6
209.11821	0.3
211.13478	0.2
223.13373	100.0
224.13708	7.4
235.08266	0.7
240.23940	0.2
251.02797	0.2
253.09288	17.9
254.09705	0.8
287.20221	0.2
297.49194	0.2
325.20264	0.2
459.22595	2.8
460.22781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39937	0.2
55.01737	0.2
57.03334	0.8
58.00442	0.2
59.01254	9.0
69.03331	2.3
69.24448	2.1
71.01260	4.6
71.04890	1.0
72.99192	0.3
73.02826	1.0
75.00735	0.2
81.03367	0.3
83.01272	0.6
83.04903	0.5
85.02832	1.5
85.06485	0.5
87.00756	0.6
89.02318	4.4
91.03889	0.2
93.03323	0.2
95.01277	0.3
95.04902	0.4
97.02853	0.2
97.06459	0.3
98.20503	0.4
99.00780	0.3
101.01699	0.3
101.02335	4.8
103.03844	0.2
107.25298	0.2
108.05677	0.2
109.06470	0.6
113.02331	2.4
117.62178	0.2
119.03392	1.1
123.08058	0.2
125.02322	0.4
125.09605	0.4
131.03410	0.2
135.11644	0.3
141.09142	0.3
143.03426	0.4
149.09650	0.6
161.04451	1.7
161.13284	0.3
167.10696	3.5
174.01485	0.2
177.12764	0.5
179.05571	0.6
179.10744	1.6
179.14333	3.2
180.14793	0.2
195.13849	10.4
196.14124	0.7
205.12288	10.0
206.12599	0.8
211.13347	0.3
213.87775	0.2
223.13359	100.0
224.13705	7.6
235.08214	0.7
253.09286	16.9
254.09645	1.1
277.12234	0.2
399.23962	0.2
414.34842	0.2
459.22400	2.3
460.22668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26687	0.3
59.01252	100.0
60.01590	1.1
68.99665	0.3
71.01251	4.8
71.57639	0.5
72.99199	0.7
73.02827	1.2
75.00757	0.6
83.01304	0.3
84.58953	0.3
85.02826	2.5
87.00769	1.1
89.02338	0.8
93.03403	0.3
95.01282	0.4
96.95928	0.3
97.02876	0.3
99.00742	0.6
99.01880	0.3
101.02315	2.0
108.02100	0.8
109.02873	0.5
111.04476	0.3
111.08061	1.0
112.98669	0.3
113.02324	2.5
119.03344	0.4
121.02764	0.4
125.02363	0.5
139.07545	7.6
145.06099	0.2
149.59656	0.3
150.02997	0.3
152.01080	0.6
153.01871	0.3
154.94630	0.3
159.02914	0.3
161.04459	2.3
161.28214	0.3
163.03896	0.3
165.05536	0.4
170.76520	0.2
173.04480	0.4
191.05632	0.4
195.10194	0.6
203.05617	0.8
209.11870	0.4
212.63715	0.3
218.04341	0.2
225.57390	0.3
233.06836	0.3
249.06337	0.5
267.07272	1.1
267.31265	0.3
315.07608	0.3
339.14639	0.8
357.15524	2.0
358.15884	0.3
399.16605	2.9
400.17172	0.5
459.14590	0.6
459.19492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03320	5.6
59.01255	28.6
62.30284	0.7
65.59972	0.7
67.01736	1.0
68.99683	0.6
69.03330	1.4
69.23481	2.7
69.23910	5.0
71.01258	19.7
71.04878	0.9
72.99187	4.2
73.02828	2.0
75.00317	0.7
75.00745	13.3
76.61629	0.6
77.65142	0.6
81.20272	0.6
83.01257	1.3
84.02067	1.1
85.02830	22.8
87.00748	7.5
89.02308	4.1
91.03898	0.7
95.01261	6.3
97.06477	1.3
99.00759	10.0
99.04383	1.4
101.02348	1.6
103.00260	2.5
110.18559	0.6
111.00768	0.8
111.08030	2.8
113.02338	25.4
115.00240	1.8
117.01823	3.3
129.01840	1.1
145.36487	0.6
157.01358	1.1
165.11356	1.1
165.12773	21.3
166.13072	1.0
175.02403	1.6
183.13841	100.0
184.14169	5.5
187.06024	1.0
193.03479	1.9
205.07140	4.4
209.11768	6.7
227.12833	11.8
249.06026	3.4
301.16489	0.7
325.20239	1.0
391.70465	0.7
415.19760	45.7
416.20062	5.1
459.18762	39.8
459.24399	1.0
460.19183	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	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.0
59.01261	18.9
67.33250	1.5
69.43851	14.2
71.01254	18.5
71.67184	1.4
72.99185	9.8
73.02831	3.3
73.14708	1.5
75.00738	2.0
77.79170	1.5
83.01264	8.9
85.02850	7.1
87.00774	4.4
87.86191	1.5
89.02329	3.5
96.99174	1.7
99.00761	15.4
101.02319	3.4
111.00778	3.7
112.98709	27.5
113.02319	4.2
115.00246	7.8
117.01839	1.5
121.02804	3.7
124.98689	3.6
127.00200	1.4
129.01819	2.4
142.99756	23.1
145.01338	1.4
151.00253	3.2
154.99773	13.2
167.10632	1.6
173.00848	28.7
174.01617	100.0
175.02429	14.0
183.13785	2.5
191.03439	10.0
195.10260	9.4
195.13818	1.7
205.12242	2.1
207.13921	2.1
209.11792	1.9
211.13342	14.1
221.11746	2.0
223.13359	7.0
224.13707	1.5
227.03426	5.9
235.13313	2.2
237.11278	2.1
237.14952	7.6
239.12872	3.0
245.11829	2.0
247.13643	1.6
249.06151	3.0
249.15001	2.7
253.14333	1.6
255.02977	27.1
256.03448	2.7
263.12869	7.1
267.07272	7.0
267.12262	2.6
267.15942	2.0
283.02490	9.2
284.03143	9.5
285.03964	5.0
289.10049	1.5
297.07657	2.1
312.02817	11.4
313.03265	4.3
341.15964	6.0
342.16599	2.6
381.15347	4.1
385.14981	5.4
397.18808	2.1
399.16418	1.7
429.17673	17.7
432.33002	1.7
437.10144	1.7
441.18079	1.9
459.09180	18.6
459.18518	34.4
460.09433	3.6
460.19022	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	459.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.2
57.03329	13.2
58.00468	2.2
59.01254	54.0
67.01762	1.1
69.03314	1.0
69.28946	11.1
71.01255	61.0
72.01611	1.2
72.99178	11.0
73.02830	4.3
75.00751	62.3
83.01245	6.0
85.02829	67.1
87.00766	18.0
89.02318	18.9
90.01573	1.1
95.01257	8.4
97.02785	2.3
98.20570	1.7
98.90258	1.0
99.00764	18.1
101.02318	9.3
111.00771	2.4
112.01530	1.4
113.02337	48.8
115.00266	4.1
116.01027	1.2
117.01844	5.3
119.03418	3.9
129.01846	1.7
131.03400	3.6
163.03908	1.5
169.14734	0.9
173.04459	5.5
175.02385	4.2
191.05511	1.3
220.65508	1.3
378.51425	1.0
459.15109	100.0
460.15466	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	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80959	1.6
55.01730	1.7
56.34453	1.6
57.03329	3.7
59.01257	19.9
69.53436	7.3
69.53870	6.1
71.01256	14.3
72.99184	9.7
73.02814	3.5
75.00739	2.7
81.93317	2.2
83.01257	6.0
85.02816	5.4
87.00761	7.0
89.02323	3.8
99.00770	11.0
101.02317	3.9
111.00728	3.4
112.98692	28.4
115.00237	8.6
119.04919	6.9
133.75858	1.9
142.99763	17.4
145.01465	1.7
145.02856	5.1
163.03897	3.4
173.00887	9.3
174.01625	100.0
175.02382	10.8
211.13315	12.9
212.44781	2.2
219.13914	2.0
223.13339	5.2
225.14981	3.2
233.11931	2.1
237.14937	5.1
245.11787	2.3
251.12694	1.5
263.12900	5.6
271.02539	2.5
281.14172	2.5
300.02628	2.4
301.03384	2.6
307.08298	2.0
323.15134	1.7
333.65881	3.8
334.15787	2.2
341.15961	4.6
381.15549	3.2
399.16357	3.4
459.18985	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	459.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.9
65.51311	1.3
71.01261	6.5
71.56659	1.3
72.11376	1.1
73.02821	46.3
73.03955	1.3
74.02355	3.7
75.00751	2.1
77.48559	1.1
78.95812	1.2
89.02311	6.4
96.96852	1.2
99.00761	7.1
101.02337	4.1
102.05489	2.5
108.02050	1.5
109.02882	1.7
113.02345	3.3
114.01841	1.3
116.92753	10.1
117.01834	100.0
118.02172	3.1
118.04987	8.0
119.03381	2.8
128.03403	9.6
128.53036	1.1
135.04410	2.2
145.06093	1.3
146.04524	3.0
179.05605	2.8
192.15331	1.1
195.29530	1.1
204.24725	1.1
229.92821	1.3
254.41222	1.2
286.14041	1.6
341.10828	5.3
357.08435	1.4
415.18625	2.5
459.11511	1.9
459.15384	1.3
459.20596	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	459.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.4
56.95128	2.0
57.03305	5.0
59.01252	32.8
67.01752	2.4
69.27898	22.3
71.01258	39.0
72.99178	9.0
73.02825	6.2
75.00754	34.4
80.45419	2.1
85.02828	35.4
87.00735	14.4
89.02325	12.8
91.05412	4.9
93.03316	3.9
95.01258	3.5
99.00758	13.1
101.02335	7.2
111.00727	2.1
112.90421	2.0
113.02331	39.7
115.00215	3.8
117.01813	2.2
119.03403	3.9
119.04944	6.0
120.01136	3.0
121.02847	2.7
125.02341	2.4
128.03419	5.2
129.01797	2.7
137.02318	3.6
139.81970	2.1
141.81630	2.1
147.04417	3.0
157.01350	2.4
161.02448	4.0
163.03960	6.6
165.05516	5.6
173.04477	7.9
175.02415	6.5
176.01123	4.2
209.04532	3.1
209.08131	30.2
211.03983	3.0
233.06641	5.4
240.04163	2.8
249.06172	17.3
250.06606	2.7
255.02965	3.9
256.03650	3.0
257.04605	2.9
267.03027	3.4
267.07227	11.0
283.02612	13.6
284.03049	2.9
285.04138	5.2
306.19861	2.4
311.02029	3.6
312.02753	12.9
313.03531	41.1
314.04016	6.0
459.09518	11.1
459.15158	100.0
460.15521	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	459.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15540	1.3
52.70308	1.2
57.03328	3.1
59.01249	26.8
67.01753	1.3
68.99670	2.4
69.03336	2.0
71.01255	42.5
72.99189	10.1
73.02814	3.1
75.00747	23.4
76.24637	1.2
83.37881	1.5
85.02822	35.5
86.03156	1.4
87.00751	12.4
89.02321	10.2
93.03352	2.3
95.01272	6.4
99.00758	12.9
101.02328	3.9
103.00263	2.8
109.02855	3.8
111.00822	1.4
113.02332	38.3
113.03069	2.8
115.00266	3.0
117.01839	2.9
121.02913	3.0
121.06499	13.5
123.04463	1.7
124.01543	5.1
125.02336	1.8
129.01857	2.5
133.02785	2.2
134.03638	3.9
136.01601	2.0
136.05220	3.3
137.02345	3.2
137.05972	4.2
139.03899	4.0
141.81633	1.4
149.02344	4.3
150.03107	11.4
151.03897	3.2
157.01404	1.5
163.03864	1.8
164.04359	2.4
165.05473	1.7
168.04166	2.1
169.04459	1.4
173.04448	1.9
175.02406	3.5
175.03835	1.9
176.01045	8.8
177.01828	3.1
177.07883	1.6
190.99789	3.4
191.03456	6.4
192.00542	1.9
193.03484	2.8
193.05026	4.4
200.81381	1.9
209.01285	1.3
209.04509	35.1
210.04779	2.3
231.05095	2.3
249.06137	63.7
250.06429	3.6
267.07202	100.0
268.07529	3.6
312.02792	1.6
338.81216	1.6
459.10446	27.0
460.11526	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16212	1.0
55.01762	2.6
57.03303	2.4
58.00468	3.8
59.01254	73.2
60.01575	1.3
70.86813	1.3
70.87154	2.5
71.01258	43.3
72.99194	5.8
74.02345	1.2
75.00764	1.7
83.01263	1.8
83.04971	1.1
85.02831	11.3
85.97680	1.2
86.81926	1.2
87.00762	2.3
89.02319	46.2
95.01266	3.1
99.00780	1.8
99.04393	2.1
101.02327	27.2
109.02864	1.6
110.31378	1.1
111.04388	2.9
111.85411	1.2
113.02342	17.2
119.03406	21.4
119.04908	20.0
121.06488	3.9
123.08052	5.9
125.02363	1.5
129.07010	2.1
131.03387	2.3
133.06509	1.9
143.03456	1.4
161.04539	2.3
161.05960	2.5
163.03925	12.7
165.05571	1.4
171.11731	5.9
179.05563	3.3
189.12773	11.4
205.04988	6.5
215.10773	2.9
233.11830	4.1
277.10815	12.4
457.17227	100.0
458.17725	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
57.03317	1.2
58.00409	0.2
59.01252	10.7
68.99678	0.5
69.59049	2.3
71.01256	11.8
72.99182	3.0
73.02816	1.2
75.00745	10.6
80.26283	0.3
83.01258	0.9
85.02827	8.6
87.00748	3.7
89.02312	2.2
93.03327	0.6
95.01286	1.1
98.19846	0.5
99.00760	5.7
100.01105	0.4
101.02331	1.6
103.00261	0.6
111.00789	0.5
113.02331	10.3
115.00277	2.1
117.01836	0.9
119.04919	100.0
120.05270	4.1
124.22913	0.3
125.02397	0.5
131.03426	0.5
139.00275	0.4
143.03391	1.1
146.03616	0.6
154.99741	0.5
157.01361	2.6
161.04475	0.9
163.03882	0.6
173.04465	0.8
175.02394	2.0
179.03302	0.3
179.07065	0.9
217.03468	1.9
277.05664	3.0
319.06805	0.9
337.07782	2.7
343.83194	0.3
457.13507	24.6
458.13794	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	455.3536
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
51.55385	0.3
59.01223	0.4
69.31459	3.5
77.78763	0.3
83.11230	0.3
98.19686	0.4
141.26311	0.3
164.88637	0.3
234.01802	0.3
237.93303	0.4
407.33127	0.8
455.35339	100.0
456.35684	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	455.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49187	3.1
51.30598	3.6
57.05853	3.4
59.01245	6.5
59.09170	3.7
71.49964	7.7
78.95795	7.4
84.59508	4.0
93.26353	3.9
98.19959	4.5
103.58578	4.5
127.34180	3.7
141.09119	9.8
152.99533	6.6
153.12787	15.9
153.34395	3.6
163.11282	5.1
165.09131	9.8
165.12799	21.7
169.20778	3.7
179.10809	4.1
181.10849	3.5
181.12279	100.0
182.12599	4.7
195.13857	4.6
199.13318	33.2
200.13640	4.2
215.12874	17.0
218.64505	4.1
227.00978	3.7
227.20123	14.5
232.88861	3.7
241.21686	3.9
255.16063	6.8
288.29465	4.4
345.24249	5.7
363.25473	36.6
381.26456	47.8
382.26755	7.4
392.26596	4.0
395.20761	4.5
455.24118	6.0
455.30191	10.7
455.35782	20.9
457.40182	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	455.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	7.5
69.43285	28.2
71.01269	9.7
78.95774	5.1
94.35477	3.2
95.43722	2.7
96.83582	2.7
97.02857	3.7
106.08829	3.3
109.06502	25.1
119.27931	3.3
135.08037	3.6
139.36845	3.1
163.11206	10.0
181.12173	3.7
183.13792	4.4
190.66747	3.3
198.09985	3.1
207.10217	18.8
211.13335	13.7
225.11272	8.4
227.20146	29.4
277.18106	100.0
278.18491	7.4
279.19666	34.2
295.19174	59.1
296.19330	4.0
306.18771	3.2
309.66309	3.4
363.25372	24.9
364.26028	4.0
369.22757	41.4
370.23517	3.3
381.26395	6.0
430.54257	3.3
455.30014	4.6
455.35342	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	455.2651
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01762	1.1
57.03325	2.2
57.98890	0.7
58.00468	2.2
59.01254	41.7
63.90706	0.6
65.85880	0.9
70.15476	1.7
70.15868	1.7
71.01257	27.8
72.99193	3.3
73.02827	2.5
78.95813	0.9
83.01267	2.6
85.02827	7.3
87.00739	1.2
89.02321	24.5
95.01268	1.8
96.10976	0.6
99.00764	1.2
101.02325	17.5
102.36204	0.7
105.77120	0.8
111.07993	1.0
112.62300	0.6
113.02352	8.1
115.41802	0.6
119.03393	6.2
120.63743	0.7
121.59814	0.6
151.81859	0.7
161.04599	0.8
162.18674	0.8
171.10175	3.1
179.14316	0.8
205.15962	1.0
209.11774	2.2
223.13374	1.5
227.12863	1.1
231.21185	0.7
237.93747	0.7
275.20212	7.8
276.20374	0.8
277.21652	1.1
293.21237	27.3
294.21530	3.4
365.06561	1.2
408.08423	1.2
423.10980	2.1
455.26535	100.0
456.26843	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.03330	6.0
58.00480	0.9
59.00990	1.5
59.01255	14.7
67.01775	1.3
69.03334	1.5
69.67422	5.3
71.01259	29.6
72.99182	6.1
73.02833	4.4
75.00750	36.7
78.95786	0.9
83.01265	4.6
83.04906	1.2
84.02042	0.9
85.02827	38.5
87.00755	11.5
89.02312	3.3
95.01261	4.7
97.02827	1.7
99.00758	11.3
101.02325	8.7
103.00250	0.9
109.02883	0.9
111.00759	1.8
111.04425	1.1
113.02331	34.0
114.02661	1.5
115.00253	3.5
117.01836	1.6
119.04906	1.7
125.02312	0.9
129.01817	1.6
131.03435	0.8
137.02368	0.9
143.03438	1.0
145.06520	2.0
147.04439	10.5
157.01344	2.0
161.04526	1.9
163.03905	1.3
166.02626	1.5
173.04503	1.9
175.02437	4.6
175.03751	0.8
177.01837	1.0
181.04993	2.0
189.18260	0.8
231.10295	1.8
233.06644	2.6
279.14523	3.2
285.52338	0.9
396.61792	0.8
455.17722	100.0
456.12054	1.5
456.17969	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	455.1347
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
57.34211	0.6
58.26586	0.6
59.01251	1.4
59.53247	0.6
61.17490	0.6
65.00195	1.8
69.23954	2.4
69.24374	5.1
73.21937	0.5
78.95776	0.8
97.02848	1.0
98.19830	1.4
102.77048	0.6
106.84232	0.6
124.01597	1.4
125.09653	0.8
135.74521	0.7
138.03146	1.2
139.03915	1.4
151.00357	0.7
153.05438	1.0
153.12105	0.7
161.02280	0.8
162.89310	1.3
163.00270	2.1
165.01854	5.2
171.10168	2.1
177.21684	0.6
178.02724	1.2
181.42105	0.7
183.13762	0.6
189.05534	1.0
190.99785	0.9
191.07098	1.8
199.03946	0.8
207.10210	0.7
209.11752	1.1
211.13367	3.4
216.04231	3.1
223.86313	0.6
228.04337	0.9
242.05714	1.3
247.95276	0.6
269.00952	1.1
277.04837	0.8
278.05890	0.9
282.01700	1.0
283.02344	0.9
293.01053	1.2
294.05356	1.1
295.06036	0.8
296.03235	0.8
303.53201	0.7
305.04623	0.8
307.02588	1.2
308.03299	1.7
309.03970	1.6
309.07489	0.8
312.02710	1.4
321.04111	2.3
322.01306	1.0
322.04800	11.2
323.05615	3.2
324.02985	0.8
325.00159	1.1
325.03564	4.8
326.04199	1.0
327.04898	0.8
335.05600	2.0
336.02802	3.3
336.06277	1.3
337.03458	3.2
337.07224	2.3
338.04153	0.8
339.05087	1.5
343.04532	1.5
349.03625	1.7
350.04312	8.8
351.05023	6.2
352.05948	2.5
354.07556	1.3
358.06967	1.8
364.02155	1.0
364.06033	2.4
365.06659	41.3
366.07086	4.6
379.04443	1.5
379.08331	14.0
380.08936	7.4
381.26349	1.6
382.06967	1.0
391.07959	1.2
393.06134	2.3
395.11191	1.8
397.09161	3.5
408.08521	31.7
409.08823	6.7
423.10864	100.0
424.11182	12.0
455.13559	27.9
455.35352	2.8
456.13968	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	453.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.5
57.03295	0.8
58.14028	0.4
59.01228	0.7
64.51064	0.5
71.57270	0.5
72.20091	0.5
73.02785	0.8
84.49857	0.4
91.03851	0.5
92.34556	0.4
109.22131	0.4
130.37712	0.4
275.00098	0.4
284.47034	0.5
307.30032	0.7
333.31628	1.4
335.33203	100.0
336.22290	0.5
336.33539	11.7
379.32181	75.9
380.32504	10.5
397.33170	5.3
398.33627	0.7
451.74936	0.5
453.35907	17.4
454.36450	2.1
465.74045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0975
Annotation	Riboflavin monophosphate
Peak:m/z	Relative Intensity
59.01244	1.5
65.50067	0.2
67.08362	0.3
69.22380	0.3
69.33717	1.8
69.34138	1.0
71.01236	0.4
72.99190	0.3
74.96717	0.2
78.95778	90.1
87.00748	0.3
96.96843	100.0
97.02837	0.3
99.89979	0.3
121.02883	0.3
137.02400	0.3
138.97920	4.0
144.08049	0.4
169.07837	0.3
180.98941	0.4
184.08690	1.0
191.05562	0.8
198.06635	1.7
199.00081	9.9
200.00377	0.4
212.08263	4.5
213.01636	9.3
214.02046	0.4
241.07298	4.6
242.07629	0.3
243.08847	0.5
249.06050	0.4
255.08833	5.9
256.09183	0.4
271.53635	0.3
288.70743	0.3
437.08755	0.4
455.09698	15.3
456.09995	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	453.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.7
56.03193	0.7
57.03327	5.6
59.01255	19.9
61.98706	0.9
63.00121	0.6
68.99689	0.8
69.03337	0.7
69.25484	7.3
71.01257	31.4
72.99187	6.4
73.02829	5.3
75.00748	36.9
78.95789	2.0
83.01254	3.6
84.02029	0.6
85.02827	41.8
85.99986	0.8
87.00759	9.8
88.63761	0.7
89.02309	3.9
93.03381	0.8
95.01267	4.3
97.02831	1.8
99.00764	15.4
101.02328	11.3
103.00223	0.9
104.70520	0.6
109.02843	0.8
111.00751	1.6
112.01530	1.7
113.02333	34.4
114.02675	0.8
115.00246	2.8
117.01808	1.9
118.77238	0.6
125.02329	0.7
129.01872	1.5
130.99750	0.7
143.03442	0.7
152.99504	3.2
157.01361	1.8
159.02919	0.7
161.04485	2.6
173.04449	0.9
175.02374	3.3
181.12222	2.2
207.10158	4.5
211.13370	0.8
225.11275	8.1
226.11636	0.9
277.16623	3.6
299.02121	0.7
325.95023	0.6
377.18530	0.7
391.19812	0.7
393.17712	1.0
435.18686	0.8
453.19836	100.0
454.20099	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	453.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	7.2
59.01251	38.6
65.44175	4.3
66.43502	4.1
66.71943	3.9
67.02852	4.4
68.84295	4.6
71.01264	34.9
71.57297	4.2
73.02819	8.4
75.00748	30.7
85.02837	43.2
87.00725	10.5
89.02309	8.7
93.03355	5.2
95.01256	6.3
99.00755	12.7
101.02318	11.7
109.02867	5.9
113.02328	35.4
120.01220	4.8
124.01551	4.4
146.19440	4.3
173.04471	18.3
197.35881	4.6
233.06609	14.7
331.58441	5.1
364.04520	6.0
453.19904	100.0
454.20120	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	452.2785
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.45881	0.3
52.97956	0.3
62.96268	0.5
71.01138	1.3
74.51443	0.4
78.95786	53.9
80.59762	0.4
80.81384	0.4
82.08471	0.3
87.38743	0.3
96.96857	3.0
97.78262	0.3
122.00021	0.7
140.01089	5.3
152.99504	6.8
171.00572	6.8
181.01031	0.3
196.03761	9.7
214.04874	2.1
237.22232	0.5
255.23300	100.0
256.23621	9.5
291.93228	0.4
295.22034	0.5
378.24030	0.9
452.27881	38.5
453.28195	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80883	0.3
57.03337	0.4
59.01255	2.3
62.61665	0.3
64.81641	0.3
71.01266	2.0
71.56645	0.5
72.99207	0.7
75.00758	2.0
78.95783	100.0
83.01260	0.4
85.02832	1.9
87.00774	0.6
89.02322	0.8
96.96864	0.8
99.00768	1.0
101.02316	0.7
107.85654	0.4
109.02838	0.4
110.98424	90.9
111.98724	0.6
113.02323	2.0
115.00275	0.4
126.56961	0.4
145.01355	0.8
165.05476	0.3
175.02477	0.3
214.86104	0.3
220.51595	0.3
235.11803	0.4
263.19818	0.3
301.07108	0.4
341.10941	0.5
405.15784	0.4
453.10458	2.7
453.16287	4.4
471.39569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08368	1.5
78.95783	16.3
80.28883	1.8
94.18840	1.5
98.20633	3.5
107.30041	1.5
110.98415	9.3
160.89635	1.5
167.01079	15.1
185.02071	1.5
283.26437	100.0
284.26810	8.1
326.48288	1.6
418.82117	1.8
451.28366	23.3
452.28171	1.8
458.47931	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	451.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02836	0.2
59.01047	0.1
59.01260	1.5
60.39917	0.1
65.19605	0.1
69.03333	0.2
70.91586	0.1
71.01266	0.5
71.58108	0.2
73.02830	0.3
75.67387	0.1
79.95600	0.2
80.04919	0.4
81.03336	8.5
82.03683	0.2
82.06505	0.2
83.04903	23.9
84.05257	0.5
85.02823	0.2
89.02346	0.2
93.03334	0.2
97.81173	0.1
100.00288	0.2
100.07581	0.2
101.02339	0.2
105.14749	0.1
107.06034	0.6
108.02114	0.2
108.04432	1.0
113.02348	0.4
119.04877	0.2
123.00783	0.2
124.01553	0.3
125.02331	0.9
125.07108	2.7
126.05523	0.3
134.06068	0.2
137.02321	0.2
143.08176	1.7
149.99448	0.3
150.03114	0.4
150.04196	0.2
152.01060	0.3
157.13327	0.1
168.00563	0.4
191.03465	0.2
207.14980	2.8
208.15268	0.1
209.23047	0.1
214.01782	0.2
224.17650	4.5
225.16054	11.5
226.16364	0.6
242.18730	1.3
245.04559	0.2
250.15800	0.2
259.02341	0.2
260.02527	0.2
268.16693	0.3
271.02579	0.3
274.07330	0.1
288.02716	0.4
289.03452	0.4
289.07141	0.1
290.22345	0.4
307.23837	0.2
309.21796	0.4
324.26535	1.7
333.15515	0.2
333.22958	3.6
334.23260	0.2
339.27686	0.2
351.23917	0.8
367.27042	1.4
385.28180	0.4
433.31866	4.7
434.32281	0.6
444.37039	0.2
449.37860	0.2
451.08984	1.2
451.32913	100.0
452.06854	0.7
452.33252	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	451.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43135	2.2
59.01254	100.0
70.22565	8.4
71.01255	14.5
73.02824	8.9
83.15260	2.3
84.42795	2.1
85.02839	4.8
89.02322	6.9
94.76790	2.1
99.00767	2.6
101.02322	9.0
113.02308	9.6
119.03392	3.0
128.70380	2.5
161.04495	7.1
170.04587	2.2
173.04346	2.0
187.13298	6.7
236.05507	2.2
331.17575	15.6
337.54166	2.0
349.18723	11.4
391.19797	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	451.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
65.43466	13.3
68.90183	13.9
70.86773	44.2
71.01260	19.3
75.00750	17.4
83.97377	12.2
85.02847	19.5
97.75769	12.9
101.02284	19.1
113.02363	15.2
135.87001	15.2
206.73854	15.6
234.59026	15.9
294.13190	16.4
328.15094	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	451.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.4
61.06118	1.2
69.36498	11.5
71.01253	30.6
72.99154	2.0
75.00726	1.7
83.01263	1.9
84.18263	1.1
85.02811	4.4
88.03921	71.9
89.02312	2.8
89.04271	1.7
93.60849	1.3
101.02321	11.3
109.02856	2.5
113.02325	3.5
114.01827	3.1
115.00259	20.8
123.04427	2.5
125.02283	1.4
130.06528	17.5
132.02928	53.3
137.02261	2.2
146.05989	2.6
156.04411	4.3
163.03769	1.5
165.05573	1.7
173.07121	100.0
174.07446	4.2
179.03242	1.3
200.07169	1.4
201.10344	2.1
233.06519	1.6
238.06204	1.4
243.07912	1.4
245.08226	1.7
289.07245	10.2
292.11960	10.6
309.67145	1.2
319.19690	1.5
335.12488	23.3
336.10754	14.8
407.14795	2.8
423.09570	1.3
423.90247	1.5
433.12296	7.8
451.13544	79.0
452.13693	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	451.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	7.3
59.01254	49.8
69.03310	7.1
69.49529	16.9
69.49947	4.7
71.01254	30.5
71.04873	3.6
72.99160	9.7
73.02827	16.6
74.74197	2.3
75.00744	20.9
75.97991	2.3
79.75404	2.2
83.01254	4.2
85.02822	30.2
87.00748	8.0
89.02312	10.7
93.03322	4.1
95.01260	9.3
98.19730	4.2
99.00758	12.1
99.08026	10.6
101.02302	5.1
106.78369	2.5
108.02029	5.8
109.02827	16.1
113.02341	26.6
114.02616	2.7
115.00266	3.2
117.01775	4.2
119.03432	4.1
119.04928	2.7
125.02321	7.7
127.44324	2.4
134.03624	23.2
135.04398	4.6
137.02339	7.1
149.06029	22.6
152.01018	6.3
153.01807	9.4
161.02400	2.9
163.03787	3.5
167.97069	2.4
171.10173	45.7
183.10207	17.2
189.03886	2.5
191.05537	5.0
201.11269	17.8
203.07254	2.8
231.05029	5.3
233.06639	4.6
241.96870	2.4
249.06142	70.1
250.06447	6.0
264.61844	3.2
267.07184	6.7
279.24835	2.3
289.07312	12.9
297.06015	4.6
329.16058	4.2
331.17990	3.0
351.56677	2.7
421.17078	4.9
433.17102	23.0
434.17490	2.4
451.08713	7.0
451.18097	100.0
452.18362	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	451.1238
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.14983	0.8
52.29620	0.7
57.03324	1.6
57.31432	0.9
57.89111	0.7
59.01241	4.8
69.62974	5.8
71.01252	4.7
81.03332	2.0
81.52071	0.7
83.01263	2.1
85.02811	0.9
88.03925	7.7
89.02335	1.0
93.03308	1.2
95.04904	2.2
95.64361	0.7
97.02811	4.1
101.02293	1.5
109.02841	16.7
113.02315	1.5
115.00237	2.4
121.02838	2.1
123.04415	9.4
125.02330	11.0
130.06505	2.2
132.02911	5.8
135.04430	2.3
137.02350	8.7
139.03911	2.5
139.07639	0.9
141.90732	0.8
149.02348	5.0
150.03201	1.5
151.03929	7.1
156.04524	1.0
159.04427	2.2
160.05145	0.8
161.02359	1.6
161.05986	3.2
162.03096	0.8
163.03984	1.3
164.01065	1.9
165.01813	3.3
166.02641	1.1
167.03348	1.1
173.07144	12.4
175.03932	1.5
175.07559	1.2
179.03416	4.0
187.03894	2.3
188.04655	2.6
189.01846	1.0
190.89357	0.8
202.06317	1.2
203.03392	0.8
203.07071	10.0
205.05011	5.3
213.76886	0.7
221.08150	1.1
225.49785	0.8
227.07184	1.7
230.05870	0.9
231.02905	0.8
245.08156	14.8
245.10425	1.3
267.07135	1.8
271.06140	1.3
281.01050	0.8
289.07187	100.0
290.07526	8.2
292.11887	1.8
313.07098	1.4
335.12534	2.8
336.10785	1.4
355.07877	0.9
451.13559	16.7
451.20538	1.3
451.21875	1.1
452.13937	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.5
58.00445	0.5
59.01250	8.7
61.98686	1.3
65.47301	0.4
69.03321	1.5
71.01254	7.0
72.99189	3.2
73.02811	2.5
75.00738	2.1
78.95772	1.8
81.03304	0.7
83.01246	2.5
85.02822	4.1
87.00742	0.9
89.02303	2.3
92.04893	0.5
93.03334	38.8
94.03665	1.7
95.01249	2.3
97.02810	2.5
98.20545	1.4
99.00758	1.0
99.32102	0.5
101.02328	4.2
102.02696	0.7
107.01273	0.9
107.04921	0.6
108.02049	1.5
109.02829	1.6
113.02314	3.8
117.01823	1.7
119.03429	1.2
119.04868	0.6
120.01130	0.8
121.02857	1.0
123.00769	8.0
123.04419	1.0
124.01560	17.8
125.02335	41.8
126.02682	1.0
128.66362	0.6
135.02850	0.6
137.02341	68.8
138.02657	2.0
139.03940	0.8
144.68263	0.5
149.02348	1.2
149.99490	35.0
151.00285	2.9
152.01141	0.5
152.92047	0.6
157.06438	0.7
161.00867	1.0
161.02315	1.2
161.04382	0.6
163.03796	1.0
165.01852	0.7
167.03406	1.3
168.00546	77.9
169.01309	10.0
179.03442	0.8
191.05606	3.1
196.12294	0.6
201.14870	0.9
211.02415	0.7
225.14891	1.4
227.03444	5.2
255.11136	0.6
269.06766	0.9
277.85797	0.6
277.89078	0.5
288.22668	0.8
295.04654	0.7
313.05630	24.2
314.05972	1.4
331.06699	44.5
332.06943	3.3
433.07910	0.5
436.87537	0.6
450.27847	3.3
451.08807	100.0
451.27512	3.2
452.09152	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75486	0.4
55.01752	1.6
57.03322	1.1
58.00459	0.9
58.35198	0.4
59.01256	15.7
61.46663	0.4
67.01781	0.5
69.03349	0.9
71.01258	10.9
72.99184	1.4
73.02824	2.7
75.00745	0.8
78.95775	1.3
83.01267	3.3
85.02831	6.4
85.99966	0.4
87.00756	3.0
89.02316	1.9
91.78267	0.4
93.03337	1.9
95.01268	1.4
99.00748	1.3
100.54354	0.5
101.02331	7.5
111.00796	0.8
112.01553	0.5
113.02348	3.5
119.03401	0.6
124.07610	0.8
125.02332	1.4
134.20381	0.5
135.04367	0.7
138.90306	0.5
141.12785	0.7
152.99521	1.3
173.04509	1.6
174.28870	0.4
191.05565	1.5
199.13525	0.4
211.13515	0.7
213.14915	1.4
222.52817	0.5
223.13538	0.4
241.21649	0.5
269.21100	1.5
271.02490	0.9
272.02710	0.5
273.03094	0.9
285.20721	1.2
287.13928	1.9
287.22290	26.1
288.22687	2.1
300.02673	0.8
301.03345	1.6
302.03384	2.5
303.04129	0.7
317.03018	0.4
345.12091	0.5
375.21744	1.2
431.26486	4.3
449.27579	100.0
450.27884	11.4
465.07361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
60.60948	0.5
66.72219	0.5
69.53356	0.5
78.95779	6.9
97.15279	0.6
110.98421	4.6
120.18921	0.5
152.99522	1.3
167.01105	2.9
185.02095	3.4
207.48505	0.5
281.24866	100.0
282.25235	9.5
307.30447	0.5
336.41483	0.6
449.26770	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	449.276
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01754	1.7
55.77782	0.4
57.03314	1.1
58.00460	0.8
58.88148	0.5
59.01254	15.7
60.01578	0.4
63.39287	0.3
65.00211	0.4
66.22459	0.4
67.01741	0.5
68.99654	0.5
69.03331	0.7
69.55215	3.3
71.01260	12.3
72.99182	1.7
73.02826	3.1
75.00764	0.5
76.20694	0.4
78.95763	0.4
83.01256	2.4
85.02830	5.8
87.00768	2.2
89.02325	2.8
90.74751	0.4
92.04946	0.5
93.03336	1.3
95.01252	1.2
99.00768	1.6
99.08058	0.7
101.02320	5.8
111.00732	1.0
111.04376	0.6
113.02322	3.5
119.03386	1.1
124.01604	0.9
125.02380	0.6
134.03752	0.4
135.04404	0.9
136.03992	0.9
141.12727	1.1
151.03928	0.5
161.04404	0.5
173.04454	0.9
175.92467	0.5
188.44437	0.4
191.05507	0.9
192.39793	0.4
192.52963	0.4
213.14851	1.4
269.21188	3.8
271.02307	0.5
272.02863	0.4
273.02936	0.6
285.20676	1.1
287.13940	0.8
287.22296	34.2
288.22586	2.5
299.22293	0.6
300.02533	0.7
301.03247	1.5
302.03561	2.2
303.04056	1.4
329.23300	0.5
417.51205	0.4
431.26337	2.2
449.27570	100.0
450.27902	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	449.2314
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
52.40125	0.3
55.49621	0.2
57.86094	0.2
59.01271	0.7
66.68893	0.3
70.27056	0.7
78.95782	69.7
82.53595	0.2
96.96851	6.0
116.92760	1.1
121.02818	0.3
132.02031	0.3
133.02863	4.0
134.03609	0.9
135.04431	6.7
136.04773	0.3
137.02364	0.5
139.03857	0.3
150.97945	1.7
152.99503	100.0
153.99832	2.0
154.99907	0.7
156.89418	0.6
161.02364	20.6
162.02678	0.7
171.00562	3.3
179.03433	1.8
199.17049	0.3
226.64009	0.2
277.21600	0.4
280.12601	0.2
287.22296	1.5
295.22629	0.6
301.03079	0.3
302.03293	0.5
303.04050	0.5
431.24228	0.5
449.09738	0.6
449.23233	18.8
450.23755	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	449.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91132	0.2
67.64257	0.2
70.89571	0.5
78.85673	0.3
78.95776	57.0
82.63650	0.2
83.60057	0.2
94.74296	0.2
96.96845	7.4
116.92710	0.2
123.96154	0.2
126.10301	0.3
133.02818	0.4
135.04391	0.5
150.97977	1.6
152.99500	100.0
153.99832	1.9
161.02351	1.8
169.42348	0.3
171.00551	3.5
179.03389	0.3
188.93152	0.3
195.13840	0.4
289.81039	0.3
295.22852	0.4
345.50769	0.2
397.80316	0.2
449.22977	8.7
450.23395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
78.82809	0.2
78.95782	51.9
94.07788	0.2
96.96844	6.0
135.04446	0.2
150.97879	1.6
152.99500	100.0
153.99841	1.7
154.99942	0.5
161.02409	0.2
171.00583	4.4
239.83070	0.2
254.25427	0.2
265.10962	0.2
277.21762	0.3
295.22791	0.9
302.03622	0.6
303.04074	0.5
449.10150	0.6
449.23071	9.8
450.23376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.9
57.04625	1.1
59.01252	87.0
61.36535	1.2
65.09919	1.1
65.31444	1.2
67.05403	1.0
69.31308	1.9
69.31705	11.3
71.01254	15.4
72.99137	1.4
83.01278	1.6
85.02831	4.8
89.02323	13.8
89.02849	1.7
95.01269	1.7
99.04393	9.2
101.02327	7.9
113.02326	5.3
119.03430	3.1
130.66277	1.2
135.04398	1.3
165.12762	4.8
166.64066	1.7
176.32732	1.2
199.20409	1.2
200.04161	1.1
204.12012	1.2
207.13800	8.5
209.11780	25.7
216.40044	1.4
225.14986	5.9
251.12840	4.3
269.13940	100.0
270.14154	8.6
286.03976	1.6
322.61105	1.3
347.17325	2.0
426.25491	1.3
449.10452	2.0
449.20245	33.1
450.20776	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	449.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42010	0.8
54.56775	1.2
59.01253	100.0
60.01580	1.2
63.02275	1.7
65.00206	2.7
69.87050	1.6
69.87445	5.1
71.01255	6.2
72.99191	1.4
73.02821	1.6
74.55566	0.9
75.00737	1.3
83.01258	2.4
85.02831	3.3
87.00765	0.9
89.02311	2.0
93.03343	1.0
95.01262	3.6
98.19749	1.4
99.00765	1.8
101.02329	4.3
107.01263	3.4
108.02070	1.0
109.02839	5.4
109.99970	7.9
111.00760	3.3
113.02316	2.8
123.00764	5.0
124.01584	4.5
124.98727	1.0
125.02327	2.8
135.00798	1.2
136.98680	2.4
137.02303	2.0
137.07590	0.8
137.99472	2.5
139.00287	8.7
146.03662	1.3
147.04350	1.2
148.01602	1.0
149.02299	1.6
151.00264	12.9
151.03911	1.0
152.01094	7.0
153.01868	2.0
155.04930	1.6
155.10695	4.7
159.04457	1.9
161.02251	1.4
161.04437	1.8
163.00285	5.5
163.01448	0.9
163.03911	1.1
164.01076	5.8
165.99013	7.6
166.99745	3.9
169.01346	1.3
169.06717	0.9
171.04404	3.3
173.02364	1.2
174.03119	1.9
175.03947	2.2
178.99789	13.4
180.00246	0.8
183.04453	1.9
186.03156	1.7
187.03893	4.9
188.04695	1.3
192.00534	1.4
193.01353	1.1
198.03145	1.1
199.03915	5.4
199.14555	0.9
201.01868	3.3
203.03334	3.5
204.21408	1.0
206.99234	1.3
213.01823	1.4
214.02676	4.8
215.03412	4.7
216.04074	2.9
217.04956	1.5
218.02147	1.3
225.01930	1.1
226.02719	1.3
227.03462	22.5
228.03789	11.9
229.03976	13.2
231.02968	3.4
232.03787	1.7
241.01341	2.3
242.02097	7.0
243.02946	11.3
244.03584	3.7
245.00916	1.7
245.04541	1.2
255.02966	22.2
256.03375	15.9
257.03503	22.7
258.04153	2.5
259.02414	5.1
260.03140	3.4
270.01691	8.7
271.02463	45.9
272.03076	13.6
273.03931	6.4
284.03290	9.9
285.03714	11.4
286.03876	25.5
287.01913	18.5
287.04666	5.2
288.02646	10.9
289.03128	1.4
298.01135	4.5
299.01962	39.8
299.05362	2.0
300.02258	5.3
315.01572	1.9
316.02228	86.1
317.02924	33.6
318.03445	2.9
329.16302	1.2
347.17038	6.5
378.61185	0.9
389.18176	1.4
431.06238	2.5
449.07623	81.9
450.07251	12.2
450.16086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27120	0.3
55.01751	0.5
55.18531	0.2
57.03311	0.6
58.00463	0.5
59.01256	12.9
60.01571	0.4
60.01894	0.3
61.98706	1.4
67.01736	0.3
71.01256	8.0
71.12202	0.3
71.57918	0.5
72.01591	0.3
72.99159	0.9
73.02814	1.1
73.51488	0.3
75.00743	0.3
83.01243	1.2
84.04434	0.4
85.02821	4.4
87.00734	1.2
89.02316	3.4
93.03336	2.8
94.06487	0.6
95.01234	1.1
96.00787	1.2
96.08073	2.0
97.01567	5.7
98.02363	0.6
98.05980	1.1
99.00788	0.7
100.03932	0.5
101.02313	3.5
106.06457	0.8
108.04419	0.9
109.01554	0.7
109.02843	0.4
109.05222	1.8
110.05976	1.2
111.00768	0.5
111.04410	0.3
113.02338	4.0
113.09580	0.3
118.06503	2.3
119.03368	1.0
120.08053	0.7
121.05235	0.3
122.06010	0.8
123.93408	0.3
124.07578	33.9
125.02335	0.4
125.07948	0.8
125.09614	0.4
126.05472	0.9
134.03586	0.5
134.06024	3.9
135.04372	1.1
136.03920	0.6
136.07585	0.8
137.02284	0.4
137.04681	0.6
138.05515	2.0
138.09125	0.7
150.05521	1.6
151.03798	0.3
158.05998	0.4
159.04446	0.3
161.04416	0.6
162.05531	8.5
163.06326	4.1
166.05005	1.0
168.06656	0.4
173.04527	1.4
176.07083	0.8
178.05032	8.4
178.08647	0.6
179.03323	0.5
191.05547	1.9
192.06557	1.3
194.04500	1.4
195.05267	0.5
200.14342	1.3
211.13316	1.0
212.13731	0.7
213.10385	0.3
213.13972	0.4
216.13808	0.4
243.12712	0.4
243.15048	5.3
269.21271	0.8
271.02438	0.6
272.03021	0.4
273.03180	0.5
283.14474	0.9
287.14020	100.0
287.22263	12.5
288.14359	8.7
288.22720	0.7
300.02625	0.6
301.03223	0.7
301.15613	2.3
302.03400	1.4
303.04010	0.9
329.15073	16.2
330.15359	2.0
375.21741	1.2
376.21747	0.4
431.26578	0.6
449.09531	0.7
449.19623	1.5
449.27588	30.4
450.28104	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	449.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27721	1.8
55.01740	1.9
57.03328	2.9
58.00459	4.1
59.01254	85.3
64.71500	1.7
69.83846	4.6
69.84274	7.2
71.01260	55.4
72.99170	3.6
73.02813	2.6
75.00766	1.8
83.01261	2.7
85.02820	10.0
89.01764	2.6
89.02319	47.5
101.02319	7.8
106.06007	1.9
109.02889	1.7
111.04350	2.0
113.02316	6.8
117.01845	2.2
119.03408	1.9
119.07755	3.4
119.08560	46.8
120.08877	2.3
120.16403	1.7
125.02357	5.2
131.03387	6.6
135.02887	4.8
149.04456	5.2
163.07578	29.1
181.08643	2.6
181.31978	1.9
257.04639	3.4
269.04547	23.3
270.04816	2.5
286.04846	2.6
287.05630	9.2
301.12964	5.0
313.12946	77.9
314.13412	6.7
331.13989	100.0
332.14423	11.0
449.16641	88.4
450.17163	9.7
451.77252	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	449.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66961	1.3
57.03319	6.7
59.01252	100.0
60.01583	1.7
66.21480	1.4
68.99679	2.3
69.03307	2.2
69.39481	1.5
69.39774	14.7
71.01253	17.4
71.04870	2.2
72.99183	4.4
73.02838	3.6
75.00752	8.4
76.76695	1.6
83.01289	1.6
83.02860	1.3
85.02825	17.7
85.06468	2.1
87.00778	8.5
89.02319	7.1
91.43495	1.3
95.01263	2.7
97.02865	1.9
99.00774	5.6
101.02322	6.1
103.00230	1.7
107.01208	1.5
109.02815	2.0
113.02346	20.2
113.54279	1.5
117.01803	2.4
137.02408	2.0
137.09616	2.1
143.03441	1.5
151.00256	3.4
152.00943	2.9
155.10680	2.9
157.20172	1.6
161.04483	2.7
175.02380	1.7
178.99779	3.5
186.15962	2.0
191.01868	1.8
191.05513	2.0
199.09691	18.5
201.10939	1.7
214.02556	2.8
242.02261	2.7
249.06137	37.5
253.81844	1.9
259.02463	2.6
267.07224	20.3
270.01648	2.2
271.02420	16.5
287.01944	10.4
288.02652	2.2
316.02243	40.2
317.02893	14.4
347.17172	4.3
405.13800	2.4
431.15680	3.8
449.07269	17.0
449.16577	48.2
450.17059	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	449.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14538	0.9
55.01751	2.1
57.03313	3.1
58.00462	3.1
59.01252	100.0
60.01591	1.7
69.78663	5.8
71.01255	70.7
72.01578	1.0
72.99186	5.5
73.02812	4.7
75.00742	5.2
83.01255	4.1
85.02827	14.8
87.00755	1.3
89.02319	70.8
93.06939	1.1
98.19848	1.5
99.00735	2.2
101.02322	7.4
105.48155	1.0
111.04373	2.2
113.02327	9.0
114.77744	0.9
117.01820	1.9
119.03394	2.3
119.08555	63.2
120.08882	3.7
131.03419	6.6
135.02893	5.7
138.23228	0.9
139.55925	1.0
146.04492	2.8
149.04433	4.5
151.52061	1.1
163.06250	1.8
163.07550	30.4
165.09108	1.3
181.08607	4.5
183.10167	2.3
203.87328	1.0
224.53566	1.0
236.33997	1.0
249.06169	2.0
269.04544	9.5
287.05545	2.8
301.12970	4.9
313.12943	75.7
314.13419	6.7
317.11618	1.0
331.13986	94.6
332.14310	8.3
440.11237	1.0
449.16592	80.8
450.16968	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	449.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64547	1.4
50.91089	1.3
51.06772	1.2
55.01768	1.6
57.03329	5.0
59.01259	21.2
59.60487	1.2
67.05366	1.6
68.99699	3.2
69.03317	7.5
69.53485	8.2
69.53902	4.0
70.26167	1.3
71.01254	23.3
72.99189	6.3
73.02824	2.0
75.00742	19.1
85.02830	21.9
87.00735	7.9
89.02323	8.3
95.01271	6.3
99.00763	9.6
103.00256	2.7
111.04406	34.0
113.02335	30.4
115.00270	2.3
117.01836	4.7
123.04378	1.6
125.09618	4.5
128.72414	1.5
129.01819	2.7
132.75638	1.6
169.08652	4.0
175.02406	3.5
181.08641	11.2
199.09610	6.6
216.24289	1.6
231.05083	3.8
232.29614	1.4
249.06143	68.9
250.06609	3.5
267.07257	20.7
276.50613	1.4
278.72629	1.6
287.46646	1.7
330.93323	1.5
375.99854	1.4
413.14590	1.6
419.15628	28.6
420.15942	3.4
431.15591	100.0
432.15759	9.0
449.16650	26.1
450.16943	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	449.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.6
57.03309	7.9
59.01257	66.4
63.84279	3.9
67.05443	4.1
69.03340	8.2
69.62790	3.9
71.01253	43.4
71.57333	7.2
72.99165	6.8
73.02810	6.6
75.00758	28.3
85.02827	46.9
87.00761	15.6
88.00345	4.0
89.02309	20.7
93.03320	5.3
95.01278	14.2
99.00765	22.8
101.02329	5.7
103.00243	6.2
111.04404	50.6
113.02322	60.3
115.00287	3.7
117.01859	4.8
119.03423	3.4
119.04887	9.1
119.08527	7.9
121.02811	5.8
121.50922	3.8
125.02394	5.8
125.09615	9.1
135.50090	3.5
149.02325	5.1
150.03131	5.2
155.42735	3.8
160.35690	4.0
161.02321	4.2
165.01843	3.8
167.03522	4.9
167.78409	3.6
175.02333	5.2
181.08649	14.6
198.90434	3.8
242.92789	4.2
249.06116	40.1
265.41605	3.9
267.07224	37.9
269.04596	7.3
287.05688	8.0
313.13068	10.7
329.06775	8.7
331.13818	8.0
361.11133	4.9
419.15564	28.0
431.15506	100.0
432.15939	7.3
449.16528	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	449.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	2.1
56.60115	1.9
57.03328	16.2
59.01254	40.8
65.16864	1.9
67.01757	3.4
67.05416	2.6
68.99684	4.2
69.03323	34.9
69.35021	10.3
69.35450	11.2
69.88821	2.3
71.01251	34.6
72.99176	7.2
73.02827	4.5
73.88421	2.2
75.00751	29.7
78.92495	2.0
83.01265	3.4
84.75255	2.2
85.02827	34.6
87.00760	9.9
89.02328	10.1
91.57829	2.2
93.03284	3.7
95.01254	9.2
95.74221	3.0
99.00749	17.8
103.00271	3.4
111.04404	5.1
113.02336	44.2
113.45625	2.1
115.00275	2.7
117.01830	4.7
125.09618	19.3
164.74335	2.0
165.11127	2.4
169.08644	14.6
181.08603	10.7
199.09694	17.9
231.05086	6.1
249.06148	100.0
250.06505	8.2
267.07224	8.6
388.45914	2.4
419.15463	12.1
431.15573	43.2
432.15973	5.7
449.16623	78.4
450.16956	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	449.1497
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01250	1.4
62.96284	31.7
76.41692	0.4
78.95782	77.4
80.97347	41.5
83.15103	0.4
96.96870	0.4
133.28285	0.3
136.03946	0.4
137.93085	0.3
149.00008	18.2
150.00359	0.5
151.01555	0.6
152.99481	1.4
156.00626	0.5
179.01086	1.7
205.15906	11.6
206.16235	0.6
217.68327	0.4
242.98288	5.3
269.04428	0.4
273.03143	0.5
285.12677	2.3
301.03217	0.4
302.03384	0.4
339.13660	0.5
343.34888	0.4
355.16821	22.1
356.17075	2.3
375.21664	0.5
385.17862	25.5
386.18137	3.1
431.14447	0.5
431.20508	0.4
449.15009	100.0
450.15399	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	449.1503
Annotation	Suvorexant
Peak:m/z	Relative Intensity
56.72124	0.3
57.91410	0.4
59.01255	0.9
61.58263	0.3
62.96282	32.8
71.34631	0.6
73.11906	0.3
78.95779	74.4
80.97346	39.4
96.96841	0.6
112.21387	0.4
119.86964	0.4
140.75591	0.4
147.71440	0.4
149.00000	19.1
151.01524	0.5
152.99489	1.2
155.82640	0.3
161.38867	0.3
179.01073	1.8
195.13887	0.4
205.15929	10.4
206.16377	0.5
219.44156	0.3
234.14159	0.4
242.98268	6.2
262.12460	0.4
281.21237	1.0
285.12671	1.8
302.03473	0.8
302.80765	0.4
355.16797	20.6
356.17023	2.0
385.17865	27.3
386.18280	2.8
449.14981	100.0
450.15353	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	449.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.5
58.00467	3.1
59.01254	100.0
69.35363	4.0
69.35764	19.5
71.01259	35.0
72.99171	8.2
73.02809	6.6
74.02351	3.8
75.00729	4.4
80.73473	2.3
83.01267	5.3
84.00791	8.6
85.02840	11.7
87.00750	7.7
89.02321	31.7
93.03358	2.3
95.01251	2.9
95.32417	2.3
97.03944	5.5
98.02340	3.1
99.00751	6.9
99.05513	3.5
100.00283	4.7
100.65340	2.6
101.02315	15.1
103.16864	2.1
109.02842	2.8
110.02306	2.8
111.00797	2.4
111.01884	4.4
112.00291	2.5
113.02334	12.9
113.03472	4.6
119.03378	11.1
123.00835	5.0
124.01538	5.2
125.02324	15.2
125.03446	26.3
127.05056	2.9
128.03429	2.6
130.01302	3.9
130.72336	2.0
131.03348	2.5
135.04399	2.6
137.02353	2.6
138.03093	3.0
139.00273	6.7
143.04501	6.3
149.99503	4.5
151.00259	5.5
153.01875	3.5
153.02942	12.5
153.05533	3.9
157.02487	11.5
157.06076	2.5
160.00609	5.3
161.04462	7.1
168.00555	7.8
169.02480	31.8
171.03999	8.2
177.03212	3.3
178.99777	3.5
179.05580	4.4
185.01993	13.4
197.02046	15.1
201.05130	7.6
203.01381	11.2
203.03123	2.5
214.02657	3.7
218.02269	2.9
233.02403	3.3
235.03941	3.4
242.02080	4.6
259.02448	3.6
263.03497	3.2
269.04541	2.9
271.02493	22.7
273.01862	2.8
287.02029	12.3
287.05563	6.5
287.18539	5.5
291.02951	9.3
315.14490	6.4
316.02274	58.0
317.02768	10.2
329.06635	4.3
341.16135	2.5
386.09909	3.0
389.20993	6.7
401.12512	12.4
431.13385	6.7
449.06799	30.2
449.24225	12.4
450.11063	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	449.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.5
58.00467	3.1
59.01254	100.0
69.35363	4.0
69.35764	19.5
71.01259	35.0
72.99171	8.2
73.02809	6.6
74.02351	3.8
75.00729	4.4
80.73473	2.3
83.01267	5.3
84.00791	8.6
85.02840	11.7
87.00750	7.7
89.02321	31.7
93.03358	2.3
95.01251	2.9
95.32417	2.3
97.03944	5.5
98.02340	3.1
99.00751	6.9
99.05513	3.5
100.00283	4.7
100.65340	2.6
101.02315	15.1
103.16864	2.1
109.02842	2.8
110.02306	2.8
111.00797	2.4
111.01884	4.4
112.00291	2.5
113.02334	12.9
113.03472	4.6
119.03378	11.1
123.00835	5.0
124.01538	5.2
125.02324	15.2
125.03446	26.3
127.05056	2.9
128.03429	2.6
130.01302	3.9
130.72336	2.0
131.03348	2.5
135.04399	2.6
137.02353	2.6
138.03093	3.0
139.00273	6.7
143.04501	6.3
149.99503	4.5
151.00259	5.5
153.01875	3.5
153.02942	12.5
153.05533	3.9
157.02487	11.5
157.06076	2.5
160.00609	5.3
161.04462	7.1
168.00555	7.8
169.02480	31.8
171.03999	8.2
177.03212	3.3
178.99777	3.5
179.05580	4.4
185.01993	13.4
197.02046	15.1
201.05130	7.6
203.01381	11.2
203.03123	2.5
214.02657	3.7
218.02269	2.9
233.02403	3.3
235.03941	3.4
242.02080	4.6
259.02448	3.6
263.03497	3.2
269.04541	2.9
271.02493	22.7
273.01862	2.8
287.02029	12.3
287.05563	6.5
287.18539	5.5
291.02951	9.3
315.14490	6.4
316.02274	58.0
317.02768	10.2
329.06635	4.3
341.16135	2.5
386.09909	3.0
389.20993	6.7
401.12512	12.4
431.13385	6.7
449.06799	30.2
449.24225	12.4
450.11063	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	449.1087
Annotation	Aromadendrin 3-galactoside
Peak:m/z	Relative Intensity
55.01764	1.0
55.12782	0.8
57.03323	6.9
58.00486	1.2
59.01253	100.0
60.01584	6.9
61.01670	5.4
61.98705	22.9
65.00209	2.2
66.25466	0.6
67.01772	0.9
68.99687	0.8
69.03326	3.5
71.01257	24.1
71.04870	0.6
71.44894	1.4
72.01581	0.7
72.99198	4.7
73.02833	4.2
75.00746	10.5
81.03355	2.2
83.01267	4.8
83.04881	0.7
85.02827	15.5
86.31929	0.8
87.00743	4.8
89.01770	1.0
89.02316	17.9
89.02827	1.1
90.02660	1.3
91.02766	1.2
93.03361	3.1
95.01277	2.7
97.02866	1.8
99.00752	4.6
99.04390	1.2
101.02316	11.6
102.02656	0.9
103.00269	1.0
103.03915	0.9
107.01303	3.0
107.04935	0.9
108.02081	0.8
108.85132	0.8
109.02872	1.9
111.00814	1.1
111.04407	2.3
113.02330	16.1
115.00273	1.2
117.01850	1.7
119.03375	6.1
119.04856	1.1
120.01185	1.0
121.02867	1.8
123.00801	1.5
123.04453	0.8
124.01598	1.2
125.02339	38.5
125.09672	1.0
126.02671	0.9
128.07065	1.2
129.01881	0.8
129.05466	0.9
129.07401	1.0
131.03381	1.2
135.04439	5.1
137.02361	1.5
139.00363	1.1
139.03952	0.9
143.03365	1.2
146.04478	0.8
149.02351	2.5
149.04485	0.8
151.00298	11.2
152.01094	1.6
153.01859	4.6
161.04482	3.1
165.01865	4.0
165.05537	1.1
166.02313	0.8
169.01344	2.2
169.08623	2.0
172.05264	1.3
173.04471	2.2
173.05965	1.5
175.02455	1.6
176.01181	1.5
177.05600	0.9
178.99763	6.8
179.03398	3.4
179.05595	2.8
180.05760	0.9
181.08694	2.3
191.05571	0.9
193.03581	0.8
197.06184	1.5
199.03899	1.0
199.09758	3.0
201.05591	1.4
207.14012	0.8
215.07257	1.6
225.05586	1.6
241.05191	1.4
243.06711	2.6
249.06139	13.9
250.06496	1.1
259.06107	34.6
260.06519	2.9
263.62448	0.7
267.07303	3.6
269.04559	29.9
270.04800	1.8
287.05603	24.9
287.18637	1.5
288.06088	2.1
311.05557	0.9
312.63898	0.7
315.14435	1.8
329.06836	0.8
347.17535	0.9
388.20468	1.4
389.21066	4.1
419.15637	1.6
431.10138	0.9
431.15466	8.6
449.10956	22.9
449.16843	29.7
449.23511	1.6
450.11264	2.8
450.17087	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	449.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03320	3.2
59.01252	80.9
61.63853	0.6
62.90160	0.7
65.00212	0.7
66.93859	0.6
67.01749	0.6
67.31339	0.6
68.99683	1.1
69.03320	2.4
71.01255	12.4
71.04871	1.1
71.57841	0.6
71.58234	0.9
72.99182	2.2
73.02815	3.2
75.00746	5.9
83.01279	1.4
85.02822	8.9
85.06462	1.1
86.03129	0.6
87.00758	4.2
89.02319	5.5
91.03834	0.9
93.03324	0.8
95.01263	2.3
97.02850	0.7
99.00757	4.0
101.02338	3.3
107.01253	2.0
109.02859	1.5
109.06465	1.0
113.02340	11.6
115.00219	1.1
117.01867	0.7
119.03398	1.2
123.00787	0.7
124.01546	2.7
125.02326	1.8
125.50625	0.6
129.01788	0.9
137.02330	4.1
137.09604	1.5
145.02859	1.3
151.00301	8.2
152.01047	2.1
155.10675	1.3
161.04443	1.4
163.00275	1.9
164.01050	2.1
165.01790	1.2
166.05833	0.6
173.04462	1.0
174.80522	0.6
175.02428	0.8
178.99796	9.6
181.08694	0.7
191.05566	2.6
199.09708	9.1
203.03412	1.8
204.04358	0.7
214.02696	5.2
215.03482	1.8
227.03427	2.0
231.05083	1.5
242.02188	3.8
243.02884	4.2
249.06151	17.8
255.02965	0.8
256.16177	0.9
259.02438	6.4
260.02783	0.7
267.07257	9.1
270.01685	8.3
271.02478	40.9
272.02795	3.4
283.02567	1.0
287.01984	22.5
288.02341	3.3
295.55951	0.9
299.02017	1.6
316.02228	100.0
317.02893	30.5
318.03296	1.4
326.71671	0.7
347.17020	1.3
389.21472	1.1
405.49625	0.7
431.15833	0.8
449.07233	40.6
449.16693	17.5
450.07498	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0725
Annotation	Myricetin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
55.01740	0.9
59.01252	33.3
63.02267	1.3
65.00188	5.3
68.99689	1.0
69.48847	1.3
69.49261	7.5
71.01246	2.8
73.83036	0.9
83.01261	2.1
83.07243	0.9
85.02844	1.4
89.02312	1.4
89.66761	0.8
92.67776	0.9
93.03358	1.7
95.01263	5.4
97.02845	1.1
101.02322	1.2
107.01273	4.3
108.02075	1.5
109.02832	9.5
109.03443	1.2
109.99984	11.8
111.00777	9.6
111.70259	1.1
119.28465	0.9
121.02837	1.8
122.03626	1.2
123.00798	7.3
124.01565	7.3
124.98785	1.2
125.02345	4.0
128.69756	1.0
130.02768	0.9
133.02870	1.5
135.00729	1.1
136.98701	4.0
137.02359	3.8
137.99495	3.0
139.00290	10.9
145.02843	1.7
146.03651	2.4
147.00742	1.1
148.01575	2.3
149.02316	3.2
151.00273	19.7
152.01088	11.5
153.01808	3.6
155.04915	1.1
155.10660	2.6
159.04420	2.2
161.02396	2.4
163.00310	6.1
164.01062	7.5
165.01903	1.3
165.98970	10.8
166.99797	6.4
169.01349	1.2
170.03493	1.0
171.04390	3.2
172.05095	1.1
173.02411	1.5
174.03145	2.8
175.03917	3.6
177.01878	2.1
178.99794	16.7
180.00389	1.3
183.04445	2.3
185.02333	1.9
186.03165	2.0
187.03871	4.2
188.04648	1.3
189.01849	2.3
189.05469	1.1
191.05473	1.0
192.00594	1.2
193.01192	1.2
193.98631	1.2
194.99252	1.6
197.02309	1.3
198.03078	1.7
199.03908	7.2
200.04349	1.1
201.01830	3.2
202.02536	1.2
203.03447	5.2
204.04121	1.0
205.01443	1.3
206.99213	1.4
208.00188	1.3
209.11855	0.9
211.03877	1.4
213.01938	2.9
214.02614	5.0
215.03525	7.6
216.04173	3.1
217.05074	2.3
226.02614	2.1
227.03488	12.0
229.01266	1.5
230.02223	1.2
231.02965	6.1
232.03690	1.9
241.01411	2.6
242.02133	8.3
243.02972	18.3
244.03563	3.2
245.04521	2.8
255.02953	7.8
259.02493	8.1
260.03149	2.5
269.14026	2.8
270.01688	10.9
271.02481	61.4
272.03134	12.9
273.04022	14.3
287.01990	35.6
288.02707	15.1
289.03384	2.6
298.01111	3.7
299.01968	36.6
299.05377	2.3
300.02386	4.1
301.03372	1.8
315.01459	1.9
316.02231	88.5
317.02991	57.9
318.03293	4.6
431.06223	2.2
449.07233	100.0
450.07578	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87841	1.0
59.01239	3.6
59.85580	0.7
62.90687	0.7
63.02269	0.8
65.00195	3.5
71.01258	1.2
74.17093	0.8
83.01271	2.2
93.03332	1.2
95.01267	3.4
104.15470	0.7
107.01257	3.8
108.02054	0.9
109.02843	9.3
109.99984	8.6
111.00785	6.5
123.00777	4.4
123.04366	0.9
124.01556	5.8
125.02348	3.1
133.02876	1.8
135.00795	1.9
136.98701	2.3
137.02354	3.0
137.99486	2.9
139.00266	10.6
139.03900	1.0
143.04956	1.1
148.01578	2.0
149.02342	2.6
151.00279	14.9
151.03917	0.9
152.01070	10.4
153.01840	3.0
155.04980	1.0
159.04417	2.7
161.02344	2.0
163.00302	6.5
164.01071	4.0
165.01880	2.2
165.99025	5.4
166.99739	3.7
169.01239	0.9
170.03630	0.9
171.04463	2.6
173.02411	1.0
174.03122	2.0
175.03955	2.7
178.99767	12.5
181.01479	0.8
183.04437	2.1
185.02390	1.1
186.03198	1.0
187.03951	4.1
189.01831	2.2
189.05695	1.0
190.99789	1.5
194.99203	1.3
197.02364	2.2
198.03137	1.6
199.03975	6.9
201.01810	4.4
201.05490	1.3
202.02406	1.0
203.03467	5.2
205.01332	1.0
206.99234	2.0
207.99995	2.3
211.03952	1.2
213.01840	1.2
214.02644	2.7
215.03487	7.7
216.04147	1.6
217.01309	1.3
225.01877	1.0
226.02618	2.2
227.03371	7.5
229.01472	1.6
231.02948	5.1
232.03769	1.2
238.60674	0.8
241.01488	1.8
242.02083	5.4
243.02974	13.6
244.03499	1.1
245.00923	1.1
245.04482	2.6
255.03017	7.1
259.02393	6.3
260.02948	1.9
270.01706	5.0
271.02469	42.2
272.03067	8.4
273.04037	12.2
287.01996	13.4
288.02628	8.1
289.03500	2.6
298.01166	2.0
299.01959	28.0
300.02515	2.5
315.01517	2.8
316.02225	70.1
317.02991	86.0
318.03366	5.2
405.08261	1.5
431.06128	1.5
435.57095	0.8
449.07224	100.0
450.07547	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	448.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94704	3.1
59.01257	6.4
61.98706	100.0
69.61787	6.8
69.62189	21.7
78.95782	46.0
96.96881	3.5
98.19775	4.1
119.04931	3.4
120.05262	3.3
145.02863	10.6
146.03194	7.4
152.99515	51.2
161.02319	8.9
163.03941	5.2
236.35712	3.9
255.02870	5.5
256.03375	8.5
271.02533	9.2
272.02930	13.0
300.02731	12.3
301.03159	27.4
302.03809	17.2
371.27777	3.6
448.09857	21.6
448.23239	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	448.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29016	0.3
59.01255	3.0
60.01570	0.4
61.01686	0.5
61.98706	13.5
65.10928	0.4
78.95779	57.9
92.04960	0.5
96.96853	6.3
98.19785	1.0
98.91953	0.4
107.01288	0.5
121.02855	0.9
136.03958	1.0
145.03014	0.5
150.97867	1.9
151.00316	1.3
152.99506	100.0
153.99841	2.4
171.00572	4.2
185.97894	0.4
186.72845	0.4
192.98961	0.4
199.64513	0.4
229.15256	0.4
243.02928	0.4
244.03278	0.7
244.28867	0.4
246.04811	0.5
255.03018	1.1
256.03293	1.7
271.02521	1.8
272.02869	3.6
273.03021	0.4
295.22827	0.9
300.02618	2.0
301.03253	5.5
302.03900	3.7
401.19559	0.4
414.43173	0.4
448.09409	2.7
448.22079	0.9
449.23090	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	448.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54743	5.5
52.07057	4.4
59.01236	23.0
61.98701	86.3
68.85989	4.4
71.49709	7.8
71.50048	8.6
76.83688	4.5
78.95775	60.8
108.07610	6.2
116.92764	6.7
123.87554	6.2
135.04391	7.2
136.03899	6.2
136.25507	4.4
151.00255	13.1
152.00702	6.0
152.99483	87.5
153.99956	5.8
161.02396	17.2
178.99782	5.5
199.00821	5.5
206.06905	5.0
243.03117	6.0
255.03017	7.1
256.03220	24.3
271.02512	14.7
272.02853	42.2
295.61746	5.7
300.02618	36.9
301.03220	100.0
302.03781	82.6
303.04056	10.7
314.11874	5.7
448.09637	87.0
448.23947	11.7
449.09735	10.4
449.22324	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	447.252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34022	0.4
59.01236	0.6
69.28334	3.7
78.95780	7.3
110.98430	5.0
129.07922	0.3
130.05417	0.3
167.01094	2.2
185.02168	3.5
267.72672	0.3
279.23312	100.0
280.23672	10.4
300.02838	0.6
301.03531	1.0
447.25208	4.5
448.25616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.239
Annotation	Ugaferin
Peak:m/z	Relative Intensity
59.01257	3.0
63.62849	0.5
65.00214	0.8
70.12357	2.0
71.01286	0.5
78.80942	0.4
78.95779	2.4
79.95959	0.5
93.03355	0.5
98.19814	0.7
107.01278	1.4
109.02812	1.2
117.03367	1.5
121.02839	1.6
124.85609	0.5
132.02087	1.1
133.02863	22.0
134.03674	7.0
135.04430	29.1
136.04816	0.6
137.02376	2.5
139.03841	0.8
148.01614	0.5
151.00269	4.8
151.69711	0.5
152.99527	3.8
161.02364	100.0
161.30518	0.4
162.02710	3.3
163.00279	1.1
165.01787	0.6
178.99849	2.6
179.03430	10.3
211.13351	2.8
227.03477	1.3
243.03015	2.9
245.04517	0.6
255.02965	7.3
256.03290	1.0
267.19687	0.8
271.02505	13.8
272.02835	1.6
273.04044	0.7
284.03290	1.1
285.20728	10.3
286.21045	0.8
299.01791	0.6
300.02780	24.8
301.03510	19.4
302.03961	2.1
315.01443	0.9
357.67694	0.6
421.58725	0.5
429.22968	3.0
447.09509	15.4
447.23901	55.4
448.09647	2.0
448.24203	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03081	0.9
57.03326	6.2
59.01253	52.3
69.03318	1.4
71.01254	16.4
71.04912	1.7
73.02815	4.2
83.01263	2.3
85.02816	6.1
89.02313	6.4
89.42284	1.1
99.00797	2.1
101.02316	8.5
107.01298	1.3
109.02824	1.1
113.02332	7.9
119.03394	2.9
123.08060	2.0
137.09622	3.5
143.03403	1.7
151.00279	1.7
151.11211	1.7
153.12799	2.9
159.02946	1.3
161.04471	18.6
162.04807	1.3
163.11261	2.0
178.99820	1.1
181.12279	2.8
185.84706	1.0
195.13841	4.4
197.15433	7.2
207.13878	4.1
210.58301	0.9
211.13336	4.6
225.14919	100.0
226.15242	7.4
243.03052	1.5
255.02994	7.2
271.02435	11.4
272.03119	1.6
300.02731	16.4
301.03491	14.9
302.03946	1.5
329.16092	1.8
387.20084	2.7
447.09445	11.0
447.22845	2.5
448.09583	1.9
469.57718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00494	0.6
59.01252	100.0
60.01595	1.0
63.66558	0.4
69.87816	2.3
71.01255	8.8
73.02851	0.8
78.42696	0.5
83.01247	0.6
85.02826	1.9
87.00782	0.8
89.02320	8.0
94.39957	0.5
95.01288	0.9
101.02335	4.4
102.05460	0.6
113.02361	3.2
115.00299	0.5
119.03389	3.2
119.08570	1.0
131.03436	0.5
143.03459	1.3
145.06131	1.0
146.04515	1.2
161.04494	3.9
163.07532	0.8
173.04660	0.6
179.05589	2.1
189.12846	1.2
201.63428	0.5
207.13914	0.9
240.03285	0.5
301.03531	0.6
313.13135	1.4
331.14035	2.2
332.14426	0.6
358.69138	0.4
387.20154	5.2
404.83276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01592	1.1
69.07090	0.6
71.01257	8.9
71.57536	0.6
73.02831	0.6
73.65085	0.5
75.00769	0.5
77.83540	0.5
78.95808	1.0
83.01259	1.0
85.02834	2.2
86.02388	0.6
87.00746	1.6
89.02321	12.2
93.03363	0.7
96.96861	2.4
97.16563	0.5
98.02385	2.2
99.00771	0.6
101.02327	5.2
102.05474	1.3
113.02322	4.5
119.03400	4.1
128.03477	0.9
135.00822	0.8
137.73087	0.5
143.03430	1.1
143.04530	0.6
145.06143	2.1
146.04535	1.2
151.00310	1.2
151.03925	0.7
153.01941	1.0
161.04500	1.2
173.04524	0.7
179.05533	4.9
215.03755	0.5
251.11829	0.5
255.03110	1.1
271.02716	2.0
284.03381	0.9
285.04129	1.1
300.02606	2.6
301.03601	1.8
313.13031	1.0
331.14075	1.4
339.12225	0.6
387.20679	1.2
447.09479	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23529	0.3
50.66332	0.3
59.01251	100.0
60.01583	1.2
61.50246	0.3
61.98701	0.6
68.38941	0.3
69.88828	1.1
69.89245	0.9
71.01251	7.2
71.01620	0.6
73.02813	0.5
84.86948	0.4
85.02819	1.8
87.00771	0.4
89.02314	7.4
91.00008	0.4
91.01772	0.6
98.19733	0.4
101.02333	4.5
103.81960	0.4
113.02323	3.1
119.03380	3.7
121.39648	0.3
135.00786	0.8
138.08569	0.3
141.60167	0.3
143.03404	0.6
149.04559	0.4
153.01857	0.6
161.04451	2.1
179.05548	1.5
189.12801	1.3
207.13930	0.6
250.52510	0.4
302.74762	0.4
326.75122	0.4
387.20291	3.9
388.20773	0.5
406.66855	0.4
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
58.00457	0.3
59.01252	100.0
60.01592	1.4
67.81015	0.3
69.54554	2.5
71.01257	6.2
72.99200	0.4
73.02834	1.3
82.56092	0.3
84.89845	0.3
85.02822	1.9
89.02318	5.5
89.02832	0.4
93.03372	0.5
94.46217	0.3
99.00751	0.4
101.02329	4.0
103.05058	0.9
109.31879	0.3
113.02336	2.9
119.03398	2.6
128.03433	0.5
131.03473	0.4
132.66545	0.4
137.02356	0.5
143.03406	0.5
145.06087	2.2
146.04529	0.5
149.04506	0.3
159.02986	0.5
159.04260	0.3
161.04466	2.4
179.05594	1.2
189.12814	0.6
207.13899	0.8
239.40224	0.3
249.06360	0.3
301.03760	0.4
362.13757	0.3
366.07608	0.3
381.79636	0.3
383.99142	0.3
387.20367	1.6
447.09558	0.4
447.19019	0.4
448.17990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	6.8
59.01252	63.0
69.03334	1.3
69.43603	7.7
71.01259	20.9
71.04900	1.4
72.99198	1.2
73.02821	5.4
75.00733	0.9
83.01272	2.5
85.02818	9.4
87.00756	0.8
89.02316	6.7
95.01279	1.6
99.00770	2.8
101.02316	12.1
109.06508	1.1
113.02334	10.6
119.03375	2.4
123.06534	1.0
125.09650	0.9
137.09607	5.3
143.03452	1.0
148.39894	1.0
151.11160	1.4
153.09116	1.1
153.12788	3.2
159.02879	1.9
161.04472	15.8
163.11194	1.9
179.05542	1.0
179.14374	1.4
179.26758	0.8
181.12245	2.6
195.13853	5.3
197.15382	9.4
207.13889	5.0
211.13376	3.6
225.14909	100.0
226.15250	6.7
286.52319	0.9
300.02844	1.7
301.03616	1.2
387.20401	8.4
451.10037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74828	0.3
59.01247	1.4
61.00495	0.3
62.96271	0.5
69.46934	1.3
69.47368	1.4
75.74813	0.3
78.95785	64.5
96.96848	6.8
100.47412	0.3
107.01298	0.4
121.02867	0.4
149.00008	1.1
150.97974	1.8
151.00365	1.7
152.99506	100.0
153.99841	1.8
171.00569	4.1
178.99789	0.9
211.13390	1.3
227.03450	0.8
243.02982	1.2
255.02992	3.1
256.03271	0.3
271.02441	4.9
272.02939	0.6
285.04123	0.4
293.21295	0.6
300.02774	8.7
301.03497	7.2
302.04108	0.5
311.22446	0.3
365.93628	0.3
447.09192	3.8
447.13684	4.1
447.21622	8.7
448.09140	0.8
448.21997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56047	0.2
59.01254	2.3
65.00183	0.2
65.78248	0.2
69.87514	0.8
69.87920	0.4
72.55864	0.3
73.88100	0.3
78.95782	55.5
82.01918	0.2
90.47025	0.2
96.96851	6.5
96.97495	0.4
98.19861	0.4
107.01279	1.1
109.02837	0.6
121.02890	0.5
133.02873	0.5
135.04430	0.6
150.97943	1.9
151.00314	2.8
152.99503	100.0
153.99838	1.5
161.02422	1.8
163.00317	0.6
171.00572	4.0
178.99800	1.3
211.04024	0.4
211.13358	1.2
226.06892	0.3
227.03511	1.2
243.02972	1.5
244.03407	0.3
245.04492	0.6
255.03006	5.3
256.03378	0.4
271.02484	8.2
272.02939	1.2
283.02634	0.5
284.03342	0.6
285.03995	0.4
293.21091	0.6
300.02744	15.1
301.03510	11.7
302.03870	1.1
385.21506	0.3
392.25729	0.2
447.09363	9.0
447.21490	7.7
447.28647	0.3
447.30658	0.3
448.09595	1.5
448.21994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54959	0.8
55.01762	2.3
57.03316	2.4
58.00463	3.9
59.01255	70.9
60.01572	1.2
65.00175	1.5
65.43993	0.8
68.99701	1.5
69.03320	0.7
69.52641	6.7
71.01257	44.4
72.99184	3.0
73.02826	18.6
75.00784	0.9
80.05129	0.8
81.03345	3.9
82.82515	0.8
83.01257	5.1
83.04906	2.3
85.02828	22.3
87.00777	1.0
89.02318	14.7
95.01279	1.5
98.20520	1.6
99.00763	5.2
99.04389	3.6
101.02323	14.7
103.03899	9.2
104.06398	0.8
107.01262	2.7
108.02074	1.2
109.02847	3.7
113.02325	1.0
117.01823	2.1
118.09486	0.8
119.03415	4.6
121.02909	0.8
121.10128	18.9
122.16338	0.8
123.00760	1.2
125.02345	0.8
127.03897	3.0
133.02885	1.1
134.02359	0.8
135.02820	1.8
137.02347	1.1
139.00291	0.8
143.04974	1.5
145.02769	0.8
145.04973	6.2
149.02353	1.1
151.00285	9.9
158.03651	1.0
159.04510	1.2
160.09991	0.8
161.02484	1.1
163.00291	2.4
163.06024	1.7
165.09109	5.3
167.10660	1.1
167.85075	0.8
169.02870	1.5
171.04413	2.0
172.01576	2.0
173.02376	1.0
174.03145	2.2
175.03905	1.0
176.00992	1.0
177.01881	0.9
177.99019	1.0
178.99796	5.1
185.06026	0.9
187.03946	3.0
189.01875	1.4
191.03464	1.0
193.01413	1.0
198.03116	1.2
199.03970	2.8
201.01929	3.7
202.02689	4.8
203.03445	2.0
211.13385	2.5
213.01875	3.2
214.02708	3.7
215.03346	4.8
217.01404	2.0
219.02844	1.0
227.03450	27.5
228.03871	2.7
229.01414	2.3
229.04977	0.9
230.02214	6.2
231.02911	2.6
241.01450	4.5
242.02196	5.9
243.02922	5.7
245.00903	2.0
255.02983	40.9
256.03564	4.3
257.00906	16.2
258.01700	10.2
259.02374	7.0
261.00415	10.0
262.00815	1.1
269.00903	6.4
270.01645	1.3
271.02499	17.0
272.03107	2.1
274.01205	1.4
284.03281	28.9
285.03958	15.0
285.17059	1.7
286.01218	9.6
286.04236	1.7
287.02023	19.8
288.02356	1.2
297.00427	10.4
298.01105	3.1
299.01999	3.1
300.02750	16.5
301.03525	13.9
302.03864	1.4
314.00674	15.4
314.42474	1.0
315.01462	45.9
316.01846	4.3
317.02893	1.5
329.16064	100.0
330.16351	11.0
350.81006	0.9
419.06326	3.6
447.04880	15.0
447.09332	38.4
447.18713	78.7
448.05316	2.6
448.09753	5.3
448.19086	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	447.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54959	0.8
55.01762	2.3
57.03316	2.4
58.00463	3.9
59.01255	70.9
60.01572	1.2
65.00175	1.5
65.43993	0.8
68.99701	1.5
69.03320	0.7
69.52641	6.7
71.01257	44.4
72.99184	3.0
73.02826	18.6
75.00784	0.9
80.05129	0.8
81.03345	3.9
82.82515	0.8
83.01257	5.1
83.04906	2.3
85.02828	22.3
87.00777	1.0
89.02318	14.7
95.01279	1.5
98.20520	1.6
99.00763	5.2
99.04389	3.6
101.02323	14.7
103.03899	9.2
104.06398	0.8
107.01262	2.7
108.02074	1.2
109.02847	3.7
113.02325	1.0
117.01823	2.1
118.09486	0.8
119.03415	4.6
121.02909	0.8
121.10128	18.9
122.16338	0.8
123.00760	1.2
125.02345	0.8
127.03897	3.0
133.02885	1.1
134.02359	0.8
135.02820	1.8
137.02347	1.1
139.00291	0.8
143.04974	1.5
145.02769	0.8
145.04973	6.2
149.02353	1.1
151.00285	9.9
158.03651	1.0
159.04510	1.2
160.09991	0.8
161.02484	1.1
163.00291	2.4
163.06024	1.7
165.09109	5.3
167.10660	1.1
167.85075	0.8
169.02870	1.5
171.04413	2.0
172.01576	2.0
173.02376	1.0
174.03145	2.2
175.03905	1.0
176.00992	1.0
177.01881	0.9
177.99019	1.0
178.99796	5.1
185.06026	0.9
187.03946	3.0
189.01875	1.4
191.03464	1.0
193.01413	1.0
198.03116	1.2
199.03970	2.8
201.01929	3.7
202.02689	4.8
203.03445	2.0
211.13385	2.5
213.01875	3.2
214.02708	3.7
215.03346	4.8
217.01404	2.0
219.02844	1.0
227.03450	27.5
228.03871	2.7
229.01414	2.3
229.04977	0.9
230.02214	6.2
231.02911	2.6
241.01450	4.5
242.02196	5.9
243.02922	5.7
245.00903	2.0
255.02983	40.9
256.03564	4.3
257.00906	16.2
258.01700	10.2
259.02374	7.0
261.00415	10.0
262.00815	1.1
269.00903	6.4
270.01645	1.3
271.02499	17.0
272.03107	2.1
274.01205	1.4
284.03281	28.9
285.03958	15.0
285.17059	1.7
286.01218	9.6
286.04236	1.7
287.02023	19.8
288.02356	1.2
297.00427	10.4
298.01105	3.1
299.01999	3.1
300.02750	16.5
301.03525	13.9
302.03864	1.4
314.00674	15.4
314.42474	1.0
315.01462	45.9
316.01846	4.3
317.02893	1.5
329.16064	100.0
330.16351	11.0
350.81006	0.9
419.06326	3.6
447.04880	15.0
447.09332	38.4
447.18713	78.7
448.05316	2.6
448.09753	5.3
448.19086	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	447.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85501	0.4
59.01242	0.9
61.93274	0.4
62.96288	1.5
70.00954	0.3
70.77894	1.0
78.95786	51.3
84.83952	0.3
96.96837	3.4
108.76176	0.3
118.64637	0.3
142.16089	0.4
149.00018	21.8
151.00296	0.8
152.99504	6.7
158.92421	1.7
179.01096	2.8
182.08430	0.3
205.15977	2.3
211.13271	0.6
227.03319	0.4
233.84081	0.4
251.00601	0.3
255.03075	1.3
267.11594	0.6
271.02499	1.8
285.04251	0.5
300.02750	3.9
301.03543	3.4
347.08188	0.4
417.12500	1.0
431.10382	2.7
432.10864	0.5
447.13513	100.0
448.13876	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.0
59.01251	10.8
61.98693	1.1
65.00194	3.1
69.03327	71.5
69.49123	7.2
69.49534	1.7
70.03653	1.2
71.01253	2.2
79.01757	7.1
79.95583	1.6
81.03323	4.8
83.01279	3.5
85.02840	1.7
93.03400	1.5
95.01279	6.8
97.02834	41.4
101.02341	1.5
105.01785	0.9
106.02831	0.8
107.01277	28.0
108.02101	7.1
109.02834	7.3
113.02316	2.1
114.04141	1.1
120.01125	3.5
121.02831	7.2
123.00780	7.8
125.02340	91.0
126.02686	2.9
133.02869	1.9
135.00781	35.1
136.01529	3.9
137.02325	2.3
141.91119	0.9
148.01579	1.8
149.02350	2.7
151.00276	75.2
152.01077	15.6
153.01843	4.2
163.00305	4.8
163.03889	4.8
165.01855	1.0
169.01447	1.2
177.01865	8.7
178.99780	10.3
179.03307	1.1
183.04309	1.0
187.03941	1.2
192.09039	0.9
198.07159	1.0
199.03859	2.0
203.03613	1.2
211.03996	2.3
211.13329	3.0
225.05586	1.1
226.02783	1.4
227.03487	6.5
229.04968	1.4
242.05812	83.1
243.02924	10.4
243.06561	38.6
244.06993	1.7
245.04539	2.8
254.02147	2.9
255.00218	1.7
255.02957	33.5
256.03357	3.2
271.02469	55.5
272.02994	6.8
273.04007	2.3
283.02429	3.3
284.03336	2.3
285.03955	2.7
285.07599	2.7
299.01984	2.0
300.02750	100.0
301.03497	88.1
302.04025	5.9
303.82281	1.1
320.79938	1.1
339.07181	5.0
387.10983	2.1
447.08508	50.0
447.13904	7.1
447.25906	1.6
448.08661	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	447.1297
Annotation	Siebolside A
Peak:m/z	Relative Intensity
59.01321	3.3
63.96194	1.1
64.99958	0.4
65.00273	1.2
65.03883	0.4
69.03406	0.3
71.01305	0.5
78.95865	0.4
79.95634	1.6
80.02636	0.3
83.01358	0.4
85.30344	0.2
91.01233	0.8
91.01775	14.8
92.02173	0.4
93.03336	4.0
95.00803	0.3
95.01345	1.1
98.20575	0.5
101.02432	0.3
107.01369	0.9
107.02091	0.2
107.04977	0.5
108.01381	0.7
108.02058	21.2
109.02863	4.6
109.07863	0.4
111.00867	0.4
113.02360	0.3
116.65124	0.3
121.02864	1.8
123.00775	5.5
124.01638	0.6
135.00781	14.6
136.01210	0.7
137.02354	12.8
138.02692	0.4
147.00803	0.4
148.01611	0.4
149.02376	0.5
151.00270	3.2
152.01068	17.9
153.01489	0.5
163.00349	1.0
178.99808	2.1
197.06036	1.3
199.04012	0.4
199.07565	0.5
211.03983	0.6
211.13377	3.5
213.05544	1.5
215.07144	1.0
226.02711	0.3
227.03499	1.2
229.05127	0.4
243.06606	100.0
244.06941	7.9
245.04527	0.5
253.09279	0.4
254.02274	0.5
255.00296	0.4
255.02980	7.0
256.03296	0.6
271.02490	11.5
272.02838	1.4
273.03656	0.4
283.02573	0.7
284.03290	0.9
285.03946	0.7
300.02762	17.8
301.03516	15.7
302.03812	1.0
387.10892	1.3
402.57761	0.3
447.08932	10.4
447.20126	0.7
447.25748	0.6
448.09338	1.1
463.09088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0936
Annotation	Hypolaetin 8-rhamnoside
Peak:m/z	Relative Intensity
57.03316	0.4
58.00456	0.6
59.01253	48.6
59.69545	0.3
60.01594	0.5
61.98705	1.8
63.02253	0.8
64.07246	0.3
65.00194	1.2
69.03336	0.6
71.01260	14.1
71.58483	0.7
72.99184	1.6
73.02818	3.3
78.95764	0.6
83.01268	2.4
84.62493	0.4
85.02839	2.5
87.00768	1.1
89.02320	18.1
91.01774	0.4
95.01277	0.9
97.60575	0.4
98.09994	0.4
99.00764	5.3
100.48436	0.4
101.02331	10.4
101.02997	0.6
105.73820	0.4
107.01284	3.7
108.02074	0.9
109.02854	3.4
113.02334	4.9
119.01285	0.7
119.03390	2.9
121.02827	3.4
125.02346	2.1
127.00271	0.8
131.03403	2.5
133.05026	0.4
135.00787	1.1
137.02345	0.4
143.03358	0.6
143.50626	0.4
148.01575	1.0
149.04468	7.1
151.00285	12.1
159.04446	0.8
161.02359	0.6
161.04443	2.6
163.00261	3.3
164.01025	0.4
165.01901	0.6
167.14275	0.6
168.24991	0.4
169.01337	1.7
171.04437	0.4
173.06024	0.5
178.99797	6.1
179.05537	0.9
180.00241	0.5
183.04453	0.8
183.13844	6.9
183.86873	0.4
187.03845	0.6
188.55995	0.4
190.99855	0.6
191.05568	1.7
193.12286	1.6
199.03981	1.1
201.01762	0.5
211.03995	1.8
211.13342	100.0
212.13692	3.0
214.02628	0.4
215.03290	0.6
216.04138	0.5
226.02681	1.1
227.03487	3.9
229.04958	1.1
235.08327	0.6
239.03311	1.0
240.04025	0.4
243.02979	7.2
244.03505	0.6
245.04494	2.0
253.09276	14.6
254.02119	1.1
254.09705	0.4
255.02968	21.5
256.03473	1.7
257.04645	0.5
266.01971	0.4
271.02478	42.8
272.02896	3.1
273.03995	1.6
283.02405	2.1
284.03238	1.8
285.04031	1.6
299.02054	1.6
300.02744	65.5
301.03503	56.8
302.03909	4.2
327.21677	0.5
363.21735	0.4
447.09311	44.2
447.21667	1.6
447.26181	2.1
448.09653	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	447.0938
Annotation	Hypolaetin 8-rhamnoside
Peak:m/z	Relative Intensity
54.38057	0.8
58.77462	0.7
59.01254	14.3
63.22618	0.7
65.00197	3.1
69.03328	0.7
69.32388	8.5
71.01265	5.6
72.99168	1.3
73.02824	2.2
73.86850	0.8
83.01249	3.0
83.22855	0.7
85.02824	2.9
87.00758	0.9
89.02322	2.7
93.03337	2.8
95.01301	0.7
95.50495	0.7
99.00767	1.6
101.02325	3.1
107.01272	6.7
108.02087	1.9
109.02863	4.4
113.02325	3.2
119.01289	1.0
119.04919	64.7
120.05225	1.8
121.02837	9.5
123.00769	3.0
124.15195	0.9
125.02339	3.6
137.02368	2.8
138.03156	1.3
145.02757	0.7
148.01559	1.2
149.02382	1.4
149.99512	8.1
151.00275	22.7
152.00696	1.2
153.01862	1.2
161.02306	1.6
161.04478	1.5
163.00311	6.5
164.01039	1.7
165.01875	3.9
169.01332	2.9
178.99762	8.9
183.02937	11.8
183.04514	1.1
183.13875	2.1
187.03900	0.8
199.03873	1.5
201.05515	1.1
203.03444	1.0
211.03963	2.5
211.13342	30.6
214.02644	0.8
216.04173	1.0
217.05098	0.7
227.03481	6.1
229.04938	1.7
239.03340	0.9
243.02954	12.6
243.06660	1.1
244.03528	1.5
245.04492	4.1
249.06165	1.3
253.09300	4.0
254.02142	2.3
255.00237	1.3
255.02966	33.7
256.03470	2.3
269.04596	2.6
270.05289	4.4
271.02481	61.9
272.02844	6.5
273.03955	2.2
283.02417	2.0
284.03250	2.5
285.04160	3.4
285.07663	52.6
286.08075	3.8
299.01987	3.6
300.02744	100.0
301.03497	80.5
302.03952	5.9
315.05057	6.6
316.05176	1.0
432.07129	0.8
433.07645	1.6
447.09296	57.9
448.09698	5.9
461.06998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03392	0.8
59.01247	3.0
63.02277	1.2
63.28418	0.8
63.82972	0.8
65.00187	2.4
77.48006	0.8
83.01257	1.3
93.03332	1.7
95.01281	2.3
98.19801	3.0
107.01270	4.1
108.02081	0.9
109.02847	2.3
109.99966	1.5
111.00753	1.3
117.03387	1.2
121.02869	1.4
148.01590	1.4
151.00269	11.1
152.01112	1.9
163.00273	3.3
167.04906	0.8
171.04422	1.2
173.02306	1.0
178.99786	4.6
180.88628	0.8
181.01367	1.0
183.04442	2.4
185.02493	0.9
185.05968	1.0
187.03952	2.0
199.04015	4.4
201.05469	1.4
202.02762	0.9
203.03421	1.1
207.89944	0.7
211.03879	2.0
215.03577	2.4
216.04102	1.2
226.02637	2.0
227.03444	8.9
229.05011	2.7
242.02039	1.7
243.02963	21.3
244.03499	2.9
245.04567	1.9
254.02173	1.2
255.02977	39.7
256.03436	3.6
257.04565	9.9
258.04895	0.9
270.01727	1.8
271.02484	49.4
272.03098	10.9
273.03918	3.3
282.01593	1.0
283.02405	7.8
285.03937	4.2
286.04620	1.0
299.02036	2.1
300.02740	73.5
301.03488	78.6
302.03821	7.6
314.04254	7.0
315.04907	1.6
429.08075	1.5
447.09308	100.0
448.09662	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00202	1.5
69.98537	3.8
91.23900	1.0
107.01283	4.8
109.02853	4.3
121.02853	4.3
121.81617	0.9
135.00842	1.0
148.01584	1.8
151.00267	17.3
159.04512	1.1
163.00256	4.7
164.01079	1.1
169.01309	1.5
178.99796	9.5
199.03996	2.1
211.03841	1.9
215.03503	1.9
226.02606	1.4
227.03520	5.6
229.04950	1.6
243.02982	11.7
245.04494	3.2
254.02237	1.2
255.02998	29.9
256.03394	1.6
271.02487	58.4
272.02747	5.6
273.04080	1.8
283.02478	3.4
299.01843	1.7
300.02756	100.0
301.03500	79.1
302.03900	5.9
366.64258	1.1
447.09332	64.2
448.09540	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69233	0.4
59.01246	1.1
60.28459	0.4
63.02270	0.7
63.96969	0.4
65.00181	1.1
66.09283	0.3
71.44183	0.8
73.02834	0.5
83.01257	0.6
107.01252	2.9
108.02069	0.9
109.02872	1.3
121.02823	1.5
135.00763	1.0
148.01541	1.8
151.00288	8.9
152.00630	0.7
163.00320	2.4
164.01039	0.6
167.48074	0.4
174.03143	0.5
178.99779	4.1
183.04453	0.6
190.99786	0.9
198.03186	0.5
199.03917	1.0
203.03563	0.6
211.03925	1.4
215.03474	1.1
216.04184	0.6
226.02692	3.2
227.03462	4.5
228.04201	0.5
243.02982	14.6
244.03378	1.4
245.04477	1.2
254.02214	4.0
255.02986	28.0
256.03357	2.0
271.02478	71.1
272.02951	6.9
283.02502	1.3
285.04123	1.4
299.02039	1.4
300.02753	100.0
301.03473	39.1
302.03873	1.8
313.40543	0.4
447.09308	59.0
448.09650	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34042	0.4
59.01265	2.5
61.67896	0.4
63.02245	0.5
65.00183	0.9
70.34515	1.9
78.40638	0.4
83.01291	0.6
85.33187	0.4
89.02311	0.6
106.60664	0.4
107.01280	1.4
125.02332	0.5
135.00754	0.5
137.02325	0.5
143.04990	0.6
144.43488	0.4
151.00287	3.0
153.01779	0.6
159.04477	0.7
165.01888	0.4
169.01312	0.5
174.03185	0.9
174.16988	0.4
175.03923	0.5
178.99779	0.9
183.04433	1.5
185.02254	0.5
185.06006	0.6
187.03889	1.4
197.00226	0.4
202.02504	0.6
211.03969	2.3
211.13414	0.4
213.01793	0.4
213.05669	0.5
214.02805	0.6
215.03481	0.7
224.52684	0.5
227.03452	78.1
228.03828	5.7
229.04999	1.5
230.02229	0.6
239.03479	0.6
242.02145	0.6
243.02972	1.4
255.02969	100.0
256.03516	12.8
257.00854	1.3
257.04453	1.4
258.01550	0.9
259.02396	0.8
261.00272	0.6
269.00943	0.7
271.02640	1.1
273.03995	0.5
275.53165	0.5
284.03259	79.8
285.03955	25.3
286.01346	1.0
286.04410	1.0
287.01987	1.4
299.02042	0.5
300.02756	1.0
301.03528	1.3
314.00769	1.1
315.01440	3.3
327.05103	1.4
396.25116	0.4
447.09354	89.2
448.09692	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	447.0936
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03315	0.9
59.01255	38.2
63.02261	1.6
65.00217	1.0
65.54279	0.4
69.03326	0.4
69.36289	0.4
69.36610	4.0
71.01258	9.6
71.04895	0.7
72.99204	0.5
73.02818	2.5
83.01262	2.3
85.02832	4.3
87.00744	0.7
89.02318	4.0
95.01266	0.4
98.19707	0.7
99.00745	1.3
101.02328	6.3
107.01269	2.7
109.02828	0.7
113.02341	3.6
119.03442	0.7
119.04899	0.7
121.02849	1.0
121.10146	0.4
125.02397	0.5
131.03395	0.8
133.02856	3.9
134.03644	1.2
139.03922	0.6
149.02350	0.8
149.99466	0.4
151.00296	4.7
159.02855	0.8
161.04495	5.4
169.01434	0.6
175.03932	1.2
179.05603	0.4
179.14365	0.6
183.04378	0.7
198.03223	0.5
199.04004	2.0
200.04561	0.8
201.01926	0.5
205.12222	0.5
207.13853	0.9
209.11647	0.4
211.03963	1.1
211.13383	1.2
212.04698	0.6
214.02466	0.5
215.03366	0.4
217.05109	1.1
223.13411	0.9
225.14925	1.7
227.03477	2.0
228.04094	0.5
239.03404	0.7
241.05032	0.7
243.02663	0.6
255.03059	1.7
256.03693	3.5
263.07693	0.5
267.02991	0.6
267.12308	2.9
271.02597	0.6
283.02496	0.8
284.03287	57.9
285.04037	100.0
286.04413	7.1
287.15079	0.7
300.02768	1.5
301.03479	1.0
315.14575	1.1
327.05127	1.0
329.16092	1.5
387.20212	4.1
392.64090	0.4
447.09341	68.1
447.18179	3.6
448.09637	7.7
448.18930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68726	1.1
54.12317	1.0
59.01254	20.6
59.13515	0.9
63.02260	2.4
65.00197	7.4
68.99690	1.1
69.47408	3.5
69.47827	5.2
71.01258	7.2
72.99219	1.9
73.02814	1.3
74.20184	0.9
82.87553	1.1
83.01252	2.8
83.04926	1.1
85.02840	4.5
89.02332	3.9
93.03338	1.1
95.01281	2.0
99.00778	1.4
101.02321	2.1
107.01279	6.8
108.87022	1.1
109.02835	4.1
109.99989	2.4
111.00776	2.8
113.02346	1.9
117.03316	1.3
120.99198	1.5
121.02888	2.5
121.10052	2.0
123.00754	3.8
125.02365	1.2
130.04144	1.9
132.02048	1.4
133.02885	2.7
135.00754	2.5
135.04402	1.2
137.02301	1.1
139.00330	3.5
139.03838	2.0
143.04932	3.9
145.02847	3.3
145.34142	1.0
146.03668	2.9
147.00797	1.4
147.04451	2.4
148.01512	1.8
149.02330	3.5
149.99510	3.3
151.00285	19.0
152.01109	1.5
157.02881	2.2
158.03661	3.7
159.04439	6.5
161.02339	5.2
163.00322	5.4
163.03937	2.1
164.01074	1.2
164.98210	1.4
165.99112	1.3
166.99728	2.2
169.01389	2.4
169.02866	3.7
170.03624	4.1
171.04453	8.5
172.01601	7.9
173.02345	4.9
174.03130	10.9
174.96358	1.2
175.00330	2.2
175.03955	2.0
176.01027	1.3
177.01852	3.9
177.98985	2.0
178.99770	10.7
185.02409	5.6
186.03123	4.9
187.03955	9.4
189.01915	6.3
191.03328	1.9
193.01305	1.8
197.02357	4.3
198.03148	3.9
199.03961	7.7
201.01871	13.8
202.02650	18.5
203.03354	6.6
211.13332	3.2
213.01872	9.9
214.02588	10.3
215.03452	14.8
216.00557	1.3
217.01329	3.8
219.02922	2.5
225.01886	2.5
227.03447	9.6
228.03696	1.2
229.01340	8.7
230.02188	14.5
231.02914	7.6
241.01376	17.1
242.02158	14.6
243.02919	14.1
244.03465	1.8
245.00761	5.8
255.02982	15.3
257.00906	52.6
258.01648	31.0
259.02408	14.4
260.02716	1.9
261.00400	20.1
262.00870	1.3
269.00946	19.9
270.01541	5.2
271.02469	26.9
272.02975	2.9
274.01233	4.0
284.03250	9.4
285.00595	2.0
285.04022	3.6
286.01193	26.2
287.01968	43.3
288.02255	2.3
297.00403	25.6
298.01001	5.6
299.01947	6.4
300.02759	9.9
301.03540	12.6
312.99951	1.4
314.00684	30.1
315.01453	100.0
316.02045	9.9
317.02988	2.8
327.01260	1.2
329.16034	9.2
398.02960	1.1
419.06351	8.3
429.04175	1.2
447.05020	44.2
447.18314	9.6
448.05878	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	445.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48660	0.7
52.95441	0.7
54.31507	0.8
54.78529	0.8
57.53394	0.7
59.01258	100.0
60.01588	1.3
69.40623	7.1
91.03915	1.3
98.20587	1.2
131.36510	0.8
137.59808	0.6
215.96718	0.6
242.11482	0.7
293.21231	1.7
311.22293	8.4
445.08005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10361	0.6
54.64748	0.7
57.09012	0.8
59.01254	100.0
60.01599	1.0
62.84986	0.6
70.89243	1.1
70.89586	1.1
73.14645	0.7
91.03904	2.8
95.04398	0.6
135.25752	0.7
184.18034	0.7
211.13371	1.4
311.22287	15.0
312.22693	1.2
361.95389	0.7
383.10608	0.8
434.88800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.2
70.00997	2.2
71.01248	0.5
78.95783	17.9
94.98884	0.5
110.98421	12.0
131.68661	0.4
152.99507	0.9
167.01068	14.1
185.02155	3.3
241.01622	0.5
259.20755	0.8
265.28738	0.6
277.21732	100.0
278.22089	9.7
361.04236	0.5
445.23608	11.7
446.23795	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01580	1.4
69.93562	5.5
78.95776	1.8
84.55637	0.9
101.49302	1.1
116.67931	0.8
120.09068	0.8
128.48210	1.0
139.25491	1.0
152.99498	2.9
187.83208	1.1
241.01357	1.2
293.21210	21.2
294.21606	1.1
299.01898	1.3
311.22302	26.4
312.22714	2.5
381.52740	1.0
412.81305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64515	0.4
59.01249	1.4
69.11105	0.4
77.07380	0.5
78.95784	5.7
90.96395	0.4
92.47363	0.4
94.91911	0.4
110.98431	4.2
145.46170	0.4
152.99463	0.6
167.01071	2.2
168.76360	0.4
185.02132	3.2
196.21968	0.4
198.51079	0.4
203.60338	0.4
205.19495	0.5
275.20099	0.6
277.21738	100.0
278.22079	9.2
288.83112	0.5
290.87872	0.5
445.23581	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24551	0.4
57.03321	4.5
58.00470	0.6
59.01253	100.0
60.01591	1.2
67.01783	0.6
69.03367	0.5
69.52277	1.4
69.52695	3.1
71.01257	19.7
72.01592	0.5
72.99185	5.3
73.02827	1.9
75.00748	1.3
76.22744	0.5
77.20443	0.5
81.03344	0.9
83.01299	1.4
83.04914	1.4
85.02832	4.8
87.00784	2.1
89.02322	19.9
93.03350	2.9
95.01276	1.6
95.04932	1.4
97.02847	0.6
97.06500	1.2
98.20497	1.2
99.00784	1.9
101.02327	11.3
102.38400	0.5
109.02112	0.5
109.02830	1.0
109.06508	1.2
111.04406	0.8
113.02334	8.2
119.03385	6.8
121.02849	1.4
123.00812	0.6
123.04405	3.5
123.08080	1.1
125.02355	0.7
129.01794	0.5
131.03436	1.0
137.02345	7.0
139.03941	1.5
143.03459	1.8
147.02876	1.0
147.08084	2.0
149.02364	1.2
149.04485	0.5
149.09605	1.1
151.03970	1.9
151.11229	1.9
153.09140	1.6
154.37749	0.6
155.03386	1.1
161.04477	11.3
161.09697	0.8
163.07552	0.8
163.11259	1.4
164.08394	0.6
165.01895	0.6
167.03419	1.6
173.04462	5.1
175.11171	0.6
177.12868	1.5
179.05569	5.5
179.10704	37.7
180.11113	1.6
187.11188	4.6
189.09052	0.5
191.05640	0.8
193.01361	0.8
203.10710	1.3
205.12291	40.6
206.12610	2.5
209.11766	9.2
209.86557	0.6
210.12193	0.7
223.13368	5.8
224.13893	0.8
233.06580	5.1
249.06160	0.7
253.09242	1.4
267.07330	0.9
299.12860	0.7
341.16064	1.6
348.08789	1.1
445.19040	1.3
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
51.65507	0.9
59.01255	100.0
69.68937	7.5
71.01251	19.2
72.99185	3.1
75.00757	3.7
83.04900	2.7
85.02838	4.7
87.00764	3.2
89.02319	26.3
95.01275	1.6
99.00758	1.8
101.02344	7.3
113.02328	10.1
113.95387	1.0
115.14644	1.1
119.03384	9.5
128.89311	1.0
131.03387	1.7
135.04393	1.3
136.05191	4.2
137.02313	1.0
143.03413	2.4
144.54604	1.1
149.04395	1.4
161.04480	2.4
162.70908	1.1
169.52502	1.1
179.03491	0.9
179.03989	1.2
179.05551	13.3
195.06607	10.0
196.06862	1.2
209.08087	1.7
209.11784	2.2
249.06096	4.2
267.06934	1.3
308.29062	1.2
311.85959	1.1
445.13745	9.3
445.19189	1.9
446.13895	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58248	0.7
55.01767	1.3
57.03317	1.4
58.00483	0.8
59.01254	100.0
60.01582	1.5
65.17175	0.8
68.56878	0.8
71.01255	31.6
72.99199	1.5
73.02825	7.6
83.01266	1.1
85.02821	7.7
87.00751	2.2
89.02320	17.9
90.64594	0.8
95.01277	2.2
97.02839	1.6
99.00779	2.8
101.02333	19.9
106.51746	0.7
108.05711	0.8
109.02891	0.9
109.06499	1.0
113.02341	15.7
113.05965	1.9
119.03390	7.4
123.08074	1.4
125.02367	0.8
125.06017	1.1
131.03477	1.1
134.03625	0.9
137.02414	0.8
137.05969	0.8
138.06783	6.6
139.07521	4.5
143.03426	3.4
149.04370	0.9
151.07571	8.9
152.04826	1.5
152.08344	17.5
153.09125	48.1
154.09448	1.9
159.02902	3.4
161.04477	24.0
179.05551	5.9
205.12289	16.9
206.12686	1.1
223.13362	23.9
224.13829	1.4
229.25354	0.9
260.20798	0.7
385.18692	32.7
386.19098	3.1
427.56854	0.8
445.12466	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1354
Annotation	10-Acetoxymajoroside
Peak:m/z	Relative Intensity
55.01763	2.9
57.03331	5.3
57.04826	0.5
58.00447	0.7
59.01258	15.1
67.01771	0.9
69.03315	1.1
71.01260	27.2
72.01587	0.5
72.99177	4.3
73.02821	4.7
74.43879	0.5
75.00751	29.2
76.01087	0.5
82.99265	0.5
83.01260	4.0
84.02059	0.7
85.02828	33.1
86.03177	0.6
87.00752	9.7
89.02298	2.1
95.01266	3.9
97.02843	1.0
99.00764	11.1
101.02336	7.1
111.00747	1.3
112.01543	1.2
113.02336	32.0
114.02663	0.9
115.00249	1.4
117.01826	1.7
129.01823	1.2
149.44942	0.5
157.01274	1.5
159.02910	0.7
161.04506	3.4
175.02446	3.6
191.64427	0.5
269.10342	3.4
345.20166	0.5
349.55511	0.6
383.13080	0.8
385.11490	1.4
401.30219	0.6
427.12421	0.7
445.13513	100.0
446.13885	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	445.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06327	2.7
57.03312	8.0
59.00128	2.0
59.01256	20.0
60.30325	2.3
60.40947	2.2
69.65225	17.6
71.01260	45.4
72.99191	6.0
73.02821	7.5
74.82153	1.9
75.00754	55.8
82.81931	2.5
83.01263	5.2
85.02836	51.3
86.19959	2.1
87.00733	14.2
89.02291	3.3
95.01265	5.1
98.20528	4.1
99.00768	15.3
101.02335	9.7
103.00277	11.4
104.03404	6.7
110.98121	2.4
113.02337	42.5
115.00255	4.8
117.01806	2.6
161.04456	4.3
175.02425	5.2
269.10336	5.6
332.92462	2.3
430.69846	2.7
430.76068	2.6
445.13522	100.0
446.13812	10.5
451.60269	2.9
459.35422	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	445.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	9.7
69.97823	4.2
71.01260	6.2
72.99188	1.2
74.02337	1.4
75.00755	80.5
78.95837	0.8
85.02841	1.0
87.00757	1.1
89.02332	5.3
98.20497	0.9
101.02336	3.4
103.00262	100.0
104.00620	0.8
104.03439	4.1
104.04053	0.7
113.02345	4.2
113.03306	0.6
119.03429	2.3
125.02336	1.3
128.03441	3.2
138.01552	0.6
143.03458	1.0
143.04500	0.9
150.05618	0.8
153.01791	0.9
161.04491	1.4
172.87332	0.7
179.05605	3.8
194.02112	0.8
209.37634	0.9
271.57758	0.7
276.46912	0.8
334.58444	0.7
341.10895	11.2
445.14450	2.7
446.11685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0779
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
52.26698	0.4
57.03303	0.8
59.01241	1.7
63.02258	2.8
65.00204	5.5
69.16935	0.4
71.01249	0.8
73.02821	1.2
83.01267	4.5
85.02841	0.8
89.02327	1.4
92.01615	0.5
93.03339	14.4
97.97555	0.4
105.03370	0.5
107.01268	9.9
109.02808	0.5
113.02317	0.4
117.03336	1.5
119.01296	0.4
119.04872	0.7
121.02867	0.9
123.04391	0.6
124.01550	0.8
125.02352	7.5
133.02838	1.5
135.04391	1.1
137.02351	26.9
138.02715	0.4
138.61835	0.4
139.00296	0.4
145.02873	4.6
147.04463	1.9
149.02339	1.0
151.00284	33.0
152.00987	1.5
153.01817	1.3
159.04454	1.0
161.02373	8.7
162.03049	1.4
163.00333	0.8
163.03947	5.1
164.01024	0.4
167.04893	0.6
169.01358	3.4
171.04501	0.5
173.02356	0.7
174.03094	1.2
175.03951	4.3
177.01878	0.8
178.99796	15.3
180.00113	0.5
183.04532	0.7
183.12846	0.4
185.02307	0.5
187.00288	1.8
187.03952	1.1
188.00974	0.5
189.01874	3.6
190.02498	0.7
191.03470	2.8
192.00545	1.5
193.01340	1.0
195.04504	0.5
197.05991	0.6
199.03920	1.2
201.01845	1.1
201.05672	0.7
203.03448	2.9
207.02875	0.6
211.03966	1.4
213.01950	0.7
213.05518	0.8
215.03474	0.8
217.01352	1.1
217.04987	1.0
218.53526	0.4
219.02928	1.0
221.04515	0.9
223.03931	0.9
225.05534	1.0
226.02655	0.7
227.03481	3.6
229.01422	0.5
229.04974	1.0
231.02921	1.1
239.03505	1.2
241.01413	1.2
241.04999	1.7
242.02301	0.5
243.02957	1.5
245.00739	0.6
245.04514	0.9
247.02461	0.5
247.06187	0.5
251.03453	1.4
253.04927	0.9
255.02899	1.5
256.03662	1.0
257.04379	0.9
267.02942	2.3
269.04578	2.4
270.01730	0.9
271.02515	2.2
279.02991	1.6
280.03830	1.3
283.02512	1.7
283.15576	1.1
284.03238	0.9
285.04047	1.8
287.05450	0.5
295.02499	9.7
296.03040	2.8
297.04034	8.5
298.01193	1.7
298.04507	1.0
299.01910	1.5
300.02783	1.0
301.03613	2.7
307.08221	0.8
309.04114	0.6
311.01950	2.8
312.02716	0.6
313.03525	8.8
314.03848	1.0
315.05038	0.9
323.01965	12.3
324.02582	2.0
325.03494	0.9
327.01498	8.7
327.05106	0.8
328.01724	1.4
337.03400	0.7
341.03009	27.5
342.03265	2.8
343.04471	0.6
353.02750	0.7
355.04587	2.1
356.04697	0.5
371.04099	0.5
373.05511	2.3
383.04346	1.1
427.06772	1.1
435.24039	0.4
445.07767	100.0
446.08072	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	443.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83689	0.4
57.03307	1.3
59.01236	2.0
71.01263	0.5
71.57538	0.5
73.66830	0.4
74.27467	0.4
76.11644	0.5
89.02330	1.0
91.03866	1.3
111.58324	0.4
165.97395	0.6
216.16013	0.4
220.73070	0.5
279.26956	0.7
305.28412	1.8
307.30084	98.7
308.30417	9.0
325.31244	2.6
351.29077	43.3
352.29465	4.4
369.30121	100.0
370.30414	8.4
443.33820	41.4
444.34174	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
59.01248	2.0
68.28700	0.5
71.01272	0.6
77.49372	0.6
87.93375	0.5
89.02338	0.7
91.03889	1.8
95.03498	0.5
98.20553	1.3
125.09014	0.5
150.65707	0.5
279.26956	1.2
305.28485	1.4
307.30081	94.7
308.30417	8.9
325.31104	2.3
337.55975	0.5
350.34976	0.5
351.29062	43.3
352.29340	4.0
369.30103	100.0
370.30447	10.0
443.33804	44.0
443.40317	0.6
444.34174	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	443.338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01437	0.2
57.03314	0.8
59.01263	1.7
69.03304	0.3
71.01252	0.4
75.00861	0.2
87.96189	0.2
89.02316	0.6
91.03883	0.9
93.54262	0.2
101.21050	0.2
113.77393	0.2
135.62479	0.3
204.74110	0.2
229.30293	0.3
279.27014	0.6
305.28424	1.4
307.30075	92.8
308.30420	8.8
325.31091	2.2
351.29059	40.8
352.29370	3.9
369.30099	100.0
370.30432	10.7
443.33786	40.5
444.34180	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01580	0.6
69.87520	2.7
87.34018	0.5
98.19842	0.6
151.58324	0.5
209.11807	0.9
289.94745	0.6
291.19714	2.8
309.20816	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.80887	1.0
62.23978	1.1
71.01283	1.4
79.31676	1.1
85.36193	1.1
101.30830	1.2
132.25089	1.2
150.13312	1.1
151.11125	1.1
152.99475	1.3
153.40146	1.0
158.55931	1.1
174.14163	1.1
181.12215	1.2
209.11797	4.0
309.20721	2.5
392.75040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41901	0.8
58.68296	0.7
59.01255	100.0
67.51492	0.8
70.10515	0.7
91.03887	1.3
197.11755	1.8
291.19794	3.4
309.20767	5.7
463.19467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
61.09583	0.7
63.15879	0.7
67.23241	0.7
75.64323	0.6
91.03908	2.9
103.19553	0.7
111.08080	1.1
129.12160	0.7
197.11761	3.7
198.71194	0.8
291.19846	3.1
309.20789	7.7
356.93274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.57932	1.9
109.63885	1.4
291.19763	2.9
297.24319	1.6
309.20520	2.9
384.36841	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	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85448	1.0
54.46271	1.0
59.01255	100.0
64.64998	1.0
69.25745	4.0
69.26176	6.7
77.34483	0.9
91.03901	1.7
126.22378	1.1
148.83514	1.1
158.87738	1.0
163.09949	0.9
180.66718	1.0
197.11760	2.1
291.19714	5.3
308.59912	1.0
309.20798	9.2
310.21100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
70.88659	2.2
70.89027	1.6
85.71968	0.9
189.69914	1.0
197.11717	2.3
291.19711	11.7
292.19910	1.6
309.20743	14.9
410.30817	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29387	0.9
59.01254	100.0
60.01603	1.2
69.60902	7.1
73.40652	0.8
85.31993	0.9
89.02325	1.9
91.03895	4.4
98.78599	0.8
111.08041	2.6
120.94100	0.8
197.11795	8.7
211.13327	1.5
263.20328	1.0
291.19656	4.6
309.20776	14.8
420.02383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
63.55286	1.1
71.01270	1.8
72.98306	1.2
75.00764	1.3
98.20663	2.2
104.34848	1.2
111.08018	1.4
159.75444	1.6
165.12691	1.3
207.10187	1.5
285.05859	1.5
291.19611	4.7
309.20728	6.5
387.68781	1.5
443.28091	2.0
444.28882	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	443.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69011	0.8
57.03312	2.8
58.00438	1.3
59.00994	1.4
59.01260	18.7
59.41966	1.1
69.03313	2.5
71.01257	43.0
72.99183	10.7
73.02823	6.7
73.23057	1.0
75.00761	1.5
81.03364	0.9
83.01254	1.9
83.04917	2.1
84.02038	1.3
85.02824	10.8
87.00745	2.9
89.02318	5.7
95.04871	1.2
97.02840	1.9
97.06467	2.6
99.04424	2.0
101.02321	6.7
105.93009	1.0
113.02322	4.9
115.00270	9.4
119.03374	2.0
119.61243	1.0
121.97308	1.0
123.72743	1.1
125.02357	1.2
125.09594	1.6
127.07548	3.2
127.11176	1.5
133.01317	1.7
135.02890	1.6
137.09630	4.1
139.07541	1.2
145.56245	1.0
153.09100	3.0
155.10730	1.2
161.85851	0.9
171.10190	30.2
177.12712	1.3
183.13835	2.2
185.11783	3.8
197.11795	5.4
201.11232	1.5
209.11810	16.1
210.12146	1.6
211.13339	9.2
221.11748	2.5
221.15454	2.9
229.14386	7.1
238.12115	1.4
239.12834	1.7
258.23785	1.1
263.16461	3.9
271.02533	1.2
289.18094	3.3
291.19745	1.8
300.02658	2.0
307.19153	24.4
308.19522	1.7
309.20352	1.0
313.03430	2.1
315.05093	1.7
325.20187	17.0
327.21796	100.0
328.22058	9.1
401.21979	1.7
425.21707	3.4
443.22919	15.6
444.23291	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.8
57.03321	0.8
57.39317	0.8
57.97282	0.9
59.01254	26.3
69.33291	1.0
69.33599	9.9
70.01179	0.9
71.01258	49.7
72.99185	11.4
73.02834	6.0
73.11266	0.9
83.01285	3.4
85.02837	5.3
87.00770	2.0
89.02325	10.6
93.82544	0.9
95.04893	1.1
97.06487	3.1
98.20502	1.5
99.04401	1.8
99.62671	1.0
101.02322	10.2
108.70621	1.2
109.06483	1.1
113.02327	4.8
115.00246	10.2
119.03410	3.1
125.09605	1.1
127.11161	1.5
133.01323	3.4
137.09612	1.2
161.04466	1.2
171.10176	10.8
177.16431	1.2
179.05515	1.6
183.13879	3.5
185.11786	1.2
202.37825	1.1
209.11821	1.8
211.13348	15.9
212.13725	1.8
217.86690	1.0
220.58371	1.1
221.11797	2.6
221.15459	2.5
229.14417	10.6
239.12910	1.8
255.02953	1.1
263.16455	5.6
265.10754	1.0
270.01718	1.6
271.02292	1.4
291.19690	2.6
299.01923	2.0
300.02847	2.1
307.18890	1.3
313.03519	3.1
314.04166	1.5
315.04984	2.0
325.20209	3.5
327.21783	100.0
328.22055	10.2
360.27469	1.0
383.20624	1.0
387.53983	1.1
401.21692	1.2
425.21625	5.0
443.18689	1.2
443.23135	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23187	0.8
57.03311	2.6
59.01254	20.5
69.03342	1.7
69.50140	4.3
69.50551	2.2
71.01256	24.8
72.99186	6.6
73.02818	2.2
73.51250	0.9
73.99538	0.9
75.00752	13.5
83.01260	1.5
83.39130	0.9
85.02824	25.0
87.00742	10.0
89.02327	8.1
91.03936	1.0
93.03348	1.2
95.01265	4.9
99.00762	12.7
101.02301	2.9
103.00240	3.3
109.02897	1.1
111.00749	1.1
113.02335	32.9
115.00242	1.8
117.01806	3.3
117.03358	3.9
119.03378	1.4
128.03328	0.9
129.01828	2.3
131.03410	0.9
132.02055	1.1
133.02850	1.4
134.03639	40.0
135.04359	1.9
137.02356	1.3
149.05972	3.7
157.01270	1.1
160.01596	6.9
161.02348	2.6
170.34882	0.8
175.02383	3.0
175.03937	10.3
178.02658	1.0
179.03352	1.5
179.06973	1.5
179.10646	0.8
188.46902	0.8
193.03365	2.2
193.05020	24.9
195.85919	0.9
197.04649	0.9
203.10742	1.5
207.05002	1.5
219.41083	0.9
220.44064	0.9
221.11729	3.0
249.06168	11.0
252.06363	1.3
267.07193	100.0
268.07501	4.8
337.94122	0.9
365.52032	1.0
425.11008	1.1
443.11948	33.8
443.18146	2.0
444.12326	3.9
444.18201	1.3
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
51.40559	1.2
55.01741	1.0
57.03325	3.7
59.01248	21.6
68.99684	2.0
69.03312	2.1
69.53204	6.6
69.53623	2.6
71.01256	29.5
72.88264	1.2
72.99172	5.7
73.02818	2.3
75.00750	22.4
76.56605	1.1
77.00065	1.1
78.01352	1.1
83.01234	1.4
85.02822	27.2
87.00754	13.2
89.02316	10.8
89.03835	1.8
91.03872	1.9
93.03320	1.3
95.01272	7.3
98.14107	1.1
99.00759	15.5
101.02320	1.9
101.87518	1.1
103.00278	4.3
103.37077	1.3
113.02333	43.2
114.02692	1.4
115.00262	2.4
117.01823	4.9
117.03352	6.1
117.08064	1.1
129.01840	3.5
133.02875	1.7
134.03635	76.3
135.04446	3.3
139.03923	2.8
144.63118	1.2
149.05984	7.8
154.41814	1.4
157.01352	2.5
159.12685	1.2
160.01616	7.7
161.02397	3.4
175.02411	3.6
175.03940	12.3
179.03404	2.1
193.04999	47.8
194.05347	1.9
231.05119	3.6
249.06131	36.1
250.06552	2.3
252.06380	2.7
253.07001	1.3
267.07166	100.0
268.07578	4.1
277.43408	1.1
280.06772	1.2
335.68454	1.1
381.11649	1.6
425.10907	3.3
443.11960	52.3
444.12323	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	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89020	1.6
53.40410	1.7
55.75985	1.4
59.01254	100.0
69.82606	1.5
73.02837	2.7
78.95760	1.5
95.49358	1.5
96.95947	1.7
213.02119	1.5
228.60042	1.8
304.83133	1.9
318.29285	2.1
455.94516	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	100.0
60.01583	1.4
69.14051	1.3
71.13746	3.4
71.41352	1.3
78.95782	1.3
80.19406	1.4
91.26674	1.3
125.03790	1.5
138.98572	1.4
141.83392	1.2
151.11252	1.6
209.11697	2.5
307.18958	3.2
324.06650	1.3
415.33051	1.7
441.26486	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	443.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42554	0.5
55.01725	1.2
57.03324	3.2
58.00449	0.8
59.01254	20.9
64.17101	0.5
67.01735	1.4
68.99672	1.4
69.03288	1.9
69.70367	3.8
70.15295	0.6
71.01257	24.9
71.01623	0.8
72.99179	5.8
73.02779	1.9
74.32690	0.6
75.00750	20.8
75.01159	0.8
75.46932	0.6
83.01212	0.6
84.59828	0.5
85.02826	28.6
87.00749	9.2
89.02322	7.9
89.03802	1.4
89.70935	0.6
91.03861	1.2
93.03352	0.8
95.01278	5.8
97.02773	0.7
99.00184	0.9
99.00756	14.3
101.02272	0.9
103.00280	3.4
109.02794	0.8
111.00713	1.8
113.02338	46.2
114.02637	0.9
115.00205	2.4
117.01846	3.9
117.03358	7.2
122.38670	0.6
123.47107	0.6
129.01822	3.9
132.02049	1.0
133.02812	1.5
134.03636	77.4
135.04245	3.2
149.05983	9.8
157.01271	1.1
160.01607	5.8
161.02383	3.9
175.02335	3.4
175.03870	10.5
178.02580	1.2
179.03351	2.2
193.05002	54.7
194.05312	1.9
207.04921	2.4
231.05032	2.2
249.06133	37.0
250.06499	1.5
252.06328	2.1
253.07018	1.3
267.07162	100.0
268.07501	5.2
381.11899	1.5
383.09683	0.8
411.09601	1.5
425.10959	4.9
443.11951	60.5
444.12256	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	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02293	0.8
59.01255	100.0
71.34821	0.7
71.35199	1.6
91.03903	0.8
101.69612	0.6
159.17769	0.6
185.11905	0.7
195.13869	1.2
209.11768	1.1
211.13301	1.0
245.19164	1.3
289.18149	4.8
295.22791	4.6
307.19186	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	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00433	0.6
58.99603	0.6
59.01252	100.0
60.01593	1.2
187.29417	0.7
209.11882	1.9
226.46249	0.6
250.55368	0.6
289.18231	2.5
293.60373	0.6
307.19144	3.7
308.19339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01595	1.3
69.53896	3.9
82.79329	0.6
96.79781	0.5
98.21497	0.6
123.31945	0.6
165.34810	0.6
209.02420	0.6
209.11774	1.3
245.19330	0.8
289.18115	2.9
293.21320	2.9
307.19272	2.5
393.17474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40183	0.4
53.05372	0.4
55.01751	0.5
57.03323	0.4
59.01256	100.0
60.01601	0.7
60.21062	0.4
69.40390	1.8
69.40817	2.0
71.01263	4.9
72.38366	0.4
72.99192	0.4
73.02829	1.4
83.01290	0.8
83.04914	0.5
85.02840	1.8
89.02320	1.9
95.01302	0.7
99.00732	0.4
101.02346	1.9
108.02062	0.7
113.02348	2.6
119.03391	0.6
134.97763	0.4
137.02380	0.7
161.04475	0.6
211.13281	0.5
227.03461	0.7
255.03061	1.5
262.90237	0.5
284.03394	2.3
299.05612	2.0
327.32803	0.4
337.02078	0.7
381.04852	1.2
381.23062	0.4
399.24249	1.2
441.17636	0.9
441.29068	0.7
442.06244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.7
57.03313	2.9
58.00468	3.1
59.01254	100.0
60.01571	1.5
67.98688	1.2
69.03307	1.2
70.34446	5.4
71.01257	68.0
72.99168	5.8
73.02813	3.9
81.35490	1.1
81.55225	1.2
83.01257	5.2
85.02826	14.0
87.00743	4.9
89.02323	66.7
93.03353	1.4
95.01285	4.7
95.04899	1.3
97.02816	2.9
99.00781	2.3
101.02332	44.1
107.04928	1.3
108.02119	1.2
109.02856	12.9
111.00758	1.4
113.02345	27.9
119.03393	33.1
121.06503	1.5
123.04448	2.7
124.05191	1.6
125.02345	18.9
131.03368	3.4
133.06494	16.0
135.18103	1.2
136.05205	1.5
137.02336	2.3
137.05971	2.4
139.07558	16.8
143.03412	4.2
145.02817	1.9
146.90082	1.1
149.02383	2.0
149.04436	1.8
149.05986	2.9
151.03920	1.4
161.04491	10.0
165.01805	1.3
169.01346	26.8
169.08617	2.5
170.01701	1.5
179.05531	5.4
187.11174	2.4
190.10081	1.3
193.01347	2.0
202.09956	1.2
204.11484	2.1
205.12231	4.2
217.12297	4.9
235.13405	2.9
245.08131	1.9
270.39789	1.3
271.06195	1.9
289.07153	13.0
330.13214	31.6
331.13879	13.4
397.18671	6.1
441.08328	2.8
441.17639	61.4
442.17822	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	440.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42288	1.1
59.01251	13.1
59.88876	1.1
70.95836	1.2
71.01278	3.0
71.57244	2.6
71.57611	1.7
72.99184	1.2
75.00751	1.5
85.02814	2.9
88.61084	1.2
89.02300	1.5
98.02352	1.3
102.05487	3.1
113.02322	2.9
119.04958	1.9
125.02232	1.4
128.03447	8.7
134.03641	94.6
135.04422	3.1
149.05995	82.2
150.03107	1.7
150.06271	4.1
160.01549	4.9
161.02335	3.8
165.01883	1.5
165.05522	1.3
173.04495	3.1
174.90694	1.5
175.03909	8.0
183.95403	1.2
191.05440	1.9
193.03426	1.6
195.06537	2.7
196.06984	1.4
233.06622	5.5
234.07043	2.7
260.09274	3.2
278.10336	100.0
279.10562	7.8
440.15820	5.4
441.16299	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.8
60.72365	0.5
71.01245	1.2
71.57809	0.6
71.58200	0.9
78.95786	1.4
85.06487	0.7
89.02325	1.6
90.11617	0.6
91.03888	7.7
125.09650	0.6
139.79877	0.7
165.12733	1.3
167.01117	0.8
181.12250	1.0
199.13344	17.0
200.13728	1.4
210.15817	0.6
242.69189	0.6
271.22757	3.5
277.21729	1.3
279.19672	3.6
280.20084	0.7
340.00400	0.7
347.25916	27.9
347.30225	1.4
348.26273	3.6
365.26959	100.0
366.27252	13.4
371.61810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
62.83399	3.9
71.01272	14.7
71.57191	4.3
75.00761	15.9
78.95789	11.5
85.02847	11.2
87.00748	4.5
89.02309	4.9
93.34859	4.1
95.76472	4.6
98.10627	4.2
99.00772	5.9
100.73350	4.0
101.02302	4.6
109.13206	4.9
113.02344	11.7
146.13731	4.3
152.99507	14.0
217.15912	12.8
220.97885	4.5
307.26862	4.4
424.54129	4.3
439.18182	15.0
440.18396	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	439.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.8
63.60285	0.7
71.57366	0.8
75.35794	0.6
149.80235	0.6
159.71257	0.5
165.09152	0.8
171.10162	2.9
206.99524	0.6
211.13338	2.6
259.20688	0.9
303.26791	1.4
347.25897	100.0
348.26221	13.3
365.22290	1.1
365.26959	22.9
366.27573	3.4
439.30881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.7
57.03328	3.8
59.01252	14.5
68.99665	0.6
69.03342	0.6
69.46391	2.4
69.46812	1.4
71.01255	22.3
72.99183	4.4
73.02824	3.5
75.00747	25.4
78.95770	0.9
83.01238	3.0
85.02826	28.1
87.00755	7.5
89.02317	3.0
93.03367	0.8
95.01251	3.2
97.02814	0.8
98.19753	0.4
99.00762	10.2
101.02326	7.3
103.00267	0.7
111.00740	1.3
112.01570	1.1
113.02335	27.7
115.00262	2.7
116.01025	0.5
117.01835	1.6
119.95087	0.4
125.02302	0.8
129.01846	0.8
131.03415	0.8
143.03436	0.4
157.01321	1.2
159.02859	0.8
161.04465	1.5
173.04477	1.5
174.33727	0.4
175.02467	3.3
191.05542	0.7
197.11485	0.4
204.17220	0.4
233.06596	1.8
263.14996	3.4
321.15451	0.6
344.98413	0.4
377.18585	0.5
379.16159	1.1
439.18195	100.0
440.18613	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	439.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63120	0.4
53.51518	0.5
55.01762	2.8
57.03326	6.6
58.00462	0.6
59.01253	20.3
67.01775	0.8
68.15150	0.5
68.99711	0.8
69.03326	1.4
71.01257	26.9
71.57277	1.0
72.99185	6.2
73.02821	5.0
75.00748	37.9
76.01057	0.6
81.03311	0.5
83.01266	4.3
84.02052	0.8
85.02825	42.2
85.99944	0.7
86.03177	0.7
87.00748	10.6
89.02323	3.4
93.03325	0.9
95.01273	4.3
97.02828	1.4
99.00757	12.5
99.01431	0.7
101.02319	9.5
103.00249	1.0
111.00764	1.4
112.01517	1.2
113.02333	37.4
114.02670	0.6
115.00240	3.2
116.01033	0.5
117.01808	1.7
117.95913	0.5
121.02842	0.9
125.02360	0.9
129.01808	1.5
131.03401	0.5
137.02370	0.7
155.03423	0.7
157.01341	1.5
159.02940	0.5
161.04465	1.5
173.04460	4.5
175.02406	4.3
191.05507	1.0
206.04480	1.8
224.05658	0.9
233.06612	3.8
263.15009	3.8
264.15414	0.7
295.07309	0.7
300.02661	0.9
321.15308	0.6
377.18192	0.9
379.15985	1.2
421.16797	0.7
439.18195	100.0
440.12506	0.6
440.18527	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	439.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
70.34088	4.3
71.01245	2.8
85.02814	2.4
87.00735	1.5
93.03318	5.4
111.04469	2.6
134.39949	1.3
137.02342	3.0
149.02333	4.5
150.03113	9.8
155.03404	3.9
161.02359	2.3
164.04810	1.2
165.01839	5.2
165.05476	8.1
173.04488	19.1
180.04216	4.1
180.53876	1.3
191.05536	26.7
195.06572	16.6
233.06631	99.6
234.06979	4.1
331.11783	1.3
353.08862	2.4
391.13928	2.0
439.14990	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	439.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61659	1.6
54.03537	1.5
55.01760	2.7
57.03316	4.2
59.01255	16.9
70.59222	6.3
71.01260	26.1
72.99180	5.7
73.02844	3.2
75.00748	30.0
78.95782	9.0
83.01247	3.4
85.02830	31.0
87.00748	10.0
89.02312	4.2
90.68263	1.6
95.01263	4.0
96.95901	3.5
96.96849	16.3
98.02343	1.6
99.00751	9.0
101.02341	10.0
111.64444	1.4
113.02347	32.5
115.00233	3.1
117.01855	1.9
130.08604	1.8
161.04463	4.1
175.02397	4.5
233.06665	3.3
326.93317	1.9
439.14597	100.0
440.14923	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	439.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27680	1.2
59.01254	100.0
70.91741	3.7
71.01262	3.5
72.99185	4.6
73.02813	1.9
75.00736	2.4
81.03342	1.4
83.01237	1.1
83.04900	1.5
85.02833	5.6
87.00739	2.0
89.02347	1.6
93.03350	10.0
97.02762	1.3
99.00754	1.7
109.02843	3.1
111.04415	5.3
113.02325	2.4
115.15353	1.4
119.04898	3.0
134.06013	3.0
135.04446	3.1
137.02357	1.4
155.03421	3.7
161.02342	2.9
162.05533	1.5
163.03946	2.1
173.04495	21.1
179.03404	2.2
181.05019	1.6
191.05559	24.0
206.04552	6.0
224.05673	2.3
233.06644	97.3
234.06897	4.2
237.30855	1.2
276.07587	1.2
302.22778	1.2
335.08151	1.7
439.07599	1.7
439.17691	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	439.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89352	0.2
54.24806	0.2
56.33194	0.2
59.01268	1.2
62.96275	0.2
67.35438	0.2
70.76128	0.6
71.01260	0.6
75.00746	0.5
78.95785	58.3
79.96214	0.2
83.01277	0.2
85.02842	0.4
96.95974	2.8
96.96850	100.0
99.00782	0.3
110.98431	0.5
112.98727	0.2
113.02344	0.3
115.00276	0.3
154.94507	0.2
161.04491	0.2
191.05605	0.2
214.87900	0.2
233.06671	0.5
263.05881	0.4
361.77545	0.2
406.67685	0.2
410.06378	0.2
439.09085	1.2
439.13770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67098	0.5
52.16132	0.8
52.53316	0.7
58.21410	0.6
58.54408	0.5
59.01253	5.5
60.56106	0.6
61.98697	1.4
68.42912	0.6
69.99635	4.1
71.01259	1.7
73.02824	0.9
75.00706	0.7
78.95781	4.2
85.02848	1.0
96.59901	0.7
98.20600	0.7
99.00771	0.8
101.02338	0.9
118.06523	9.3
122.06025	2.1
123.06788	12.7
124.07622	0.9
137.26270	0.8
146.06023	40.6
147.06419	2.4
150.05531	1.1
152.99516	7.3
179.05789	1.4
183.13837	1.9
190.07414	1.3
198.09224	0.7
211.13356	23.3
212.10736	4.2
213.10199	1.0
226.07390	4.3
226.12341	1.7
227.08224	25.6
227.11876	2.8
227.48790	0.7
228.08493	1.6
239.08221	1.2
240.09035	1.7
241.09795	25.8
242.10487	7.3
253.10092	0.9
254.10625	1.3
255.11389	17.7
256.11810	2.1
268.41623	0.9
269.12976	8.6
270.13693	12.9
271.14432	1.6
296.11566	1.1
302.12723	13.7
303.12982	1.0
308.55972	0.7
314.12756	4.7
328.05502	0.9
328.10532	1.0
350.15540	0.8
358.09927	1.0
378.18185	1.0
394.21353	25.5
395.21603	2.4
420.19379	3.2
438.20346	100.0
439.16779	4.5
439.20801	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	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12061	0.7
54.20415	0.7
55.01751	1.3
56.58954	0.8
57.03312	1.5
59.01254	73.3
64.33427	0.8
69.49947	6.1
71.01254	12.2
72.99196	1.9
73.02834	6.9
83.01247	2.8
84.82589	0.8
85.02831	9.1
87.00743	1.9
89.02313	2.4
95.01242	1.6
99.00763	3.2
101.02323	15.0
111.00756	1.9
111.58159	0.8
113.02312	6.0
119.04903	0.9
137.02322	1.4
150.03073	1.1
161.04472	2.1
161.82283	0.8
165.01846	1.2
165.05525	1.1
178.03452	0.8
180.04132	1.2
181.04901	1.4
195.06749	0.9
201.11177	1.1
203.44687	0.9
207.69162	1.1
215.16516	1.5
216.38475	0.8
233.13448	0.8
377.21796	7.3
378.22675	1.5
418.20117	1.0
419.22781	5.7
437.23935	100.0
438.24289	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	100.0
60.00937	8.9
61.87041	9.7
61.98686	9.1
63.77893	8.3
71.01256	22.9
72.99181	10.6
73.02833	15.4
75.00729	13.1
78.95774	12.6
83.01246	15.5
85.02824	24.3
88.67122	9.1
89.02362	13.9
96.95891	26.4
98.19758	22.5
101.02329	28.6
119.04933	20.4
145.06078	13.0
152.99542	11.0
164.66977	9.5
176.69666	9.9
193.01332	16.5
201.11284	35.3
209.11778	26.4
232.93597	9.6
253.09395	11.5
284.03339	14.9
437.20197	23.6
440.56607	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	100.0
60.00937	8.9
61.87041	9.7
61.98686	9.1
63.77893	8.3
71.01256	22.9
72.99181	10.6
73.02833	15.4
75.00729	13.1
78.95774	12.6
83.01246	15.5
85.02824	24.3
88.67122	9.1
89.02362	13.9
96.95891	26.4
98.19758	22.5
101.02329	28.6
119.04933	20.4
145.06078	13.0
152.99542	11.0
164.66977	9.5
176.69666	9.9
193.01332	16.5
201.11284	35.3
209.11778	26.4
232.93597	9.6
253.09395	11.5
284.03339	14.9
437.20197	23.6
440.56607	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75585	0.9
59.01259	3.8
71.57508	1.5
81.12413	1.0
87.76883	1.0
107.23941	0.8
119.04922	100.0
120.05260	5.0
179.09331	6.0
191.03438	0.9
192.02496	1.0
221.10458	1.2
233.12872	1.6
239.33510	1.0
299.15057	5.9
311.15146	1.6
317.16177	3.6
365.43726	1.2
387.46759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93812	0.3
51.38274	0.3
57.16574	0.3
60.05266	0.3
63.72743	0.3
65.26680	0.3
71.04893	0.7
71.05293	0.3
83.02327	0.4
101.02328	0.4
102.53204	0.3
119.04919	100.0
120.05242	4.9
136.08746	0.5
143.59615	0.3
178.09795	0.7
179.09302	6.2
209.10378	0.6
221.10403	3.5
224.35461	0.3
233.12900	2.6
251.11482	1.1
263.11478	1.1
275.15143	2.3
299.15118	11.8
300.15500	0.8
311.15247	2.4
317.16156	3.6
318.16473	0.6
329.16138	1.1
341.16245	2.1
360.60773	0.4
371.17261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01222	0.3
70.14018	0.8
74.88920	0.2
83.02380	0.4
85.84622	0.3
93.03293	0.3
119.04920	100.0
120.05258	3.7
136.08682	0.7
150.10255	0.4
178.09769	0.9
179.09319	4.8
191.09273	0.4
209.10400	0.5
221.10443	1.9
233.12939	2.1
251.11464	0.9
263.11572	0.6
275.15121	1.5
299.15143	8.4
300.15387	0.8
311.15256	1.8
312.15479	0.4
317.16156	4.2
329.16269	1.1
341.16165	1.8
371.17178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46507	2.1
55.01744	6.5
57.03315	2.8
58.00460	3.6
59.01253	100.0
60.01583	2.2
61.84221	2.1
66.17756	1.9
71.01254	64.3
72.00768	2.5
72.99194	10.0
73.02821	22.8
75.00746	6.2
76.15812	1.9
79.95618	11.1
80.96388	2.9
81.03312	3.8
83.01255	12.9
83.04874	3.4
85.02827	41.2
87.00751	7.4
89.02319	17.8
93.03325	9.6
95.01279	5.1
96.95899	2.1
97.02822	3.0
98.20551	5.8
99.00752	10.8
99.92457	10.5
100.00278	3.1
100.93221	2.6
101.02326	73.6
107.04922	4.0
108.02057	2.1
109.02834	3.5
111.04387	3.7
111.17387	1.9
113.02325	30.5
114.09438	2.0
115.91971	40.2
116.91995	3.8
116.92732	18.5
117.03350	3.7
119.03426	5.7
119.04922	21.4
120.05241	5.5
121.02837	4.0
125.02373	3.4
125.09630	2.8
127.03893	4.6
127.11185	4.8
129.01822	2.1
129.09091	3.9
134.03656	20.9
134.06003	4.0
135.02859	5.2
135.04041	7.7
135.06381	3.8
136.04774	2.4
137.02370	4.2
143.03400	5.1
145.02859	4.6
145.04965	4.7
148.05136	3.4
149.05972	11.5
150.06322	9.2
151.03860	3.1
155.03392	2.3
158.06104	3.5
159.02992	3.7
160.01581	5.3
161.02029	4.0
161.04451	22.3
163.03912	16.3
163.64894	2.3
164.04256	4.5
165.01810	5.2
165.05464	3.6
171.10248	2.2
173.04457	12.7
174.04839	3.9
175.03894	13.7
176.04312	8.9
178.05020	2.5
179.05493	6.5
183.02899	3.3
187.13281	4.0
191.05562	13.0
191.52370	2.0
201.11261	75.9
202.11571	3.1
203.05418	3.3
204.03058	2.6
206.04503	7.4
207.04848	4.2
210.97018	10.2
214.01668	2.7
215.02008	2.4
220.06032	8.4
221.06406	7.9
221.11856	2.6
233.06660	8.2
234.06929	5.3
234.97089	3.1
253.09175	14.7
275.14996	28.0
313.12784	7.2
319.14014	2.0
331.17624	5.0
349.18768	10.1
357.00717	33.2
357.11694	5.6
358.01041	6.9
358.11926	2.3
371.78619	2.1
391.19775	6.5
393.08478	5.0
414.08914	2.2
428.51062	2.3
437.07391	68.9
437.20435	32.8
438.06998	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46507	2.1
55.01744	6.5
57.03315	2.8
58.00460	3.6
59.01253	100.0
60.01583	2.2
61.84221	2.1
66.17756	1.9
71.01254	64.3
72.00768	2.5
72.99194	10.0
73.02821	22.8
75.00746	6.2
76.15812	1.9
79.95618	11.1
80.96388	2.9
81.03312	3.8
83.01255	12.9
83.04874	3.4
85.02827	41.2
87.00751	7.4
89.02319	17.8
93.03325	9.6
95.01279	5.1
96.95899	2.1
97.02822	3.0
98.20551	5.8
99.00752	10.8
99.92457	10.5
100.00278	3.1
100.93221	2.6
101.02326	73.6
107.04922	4.0
108.02057	2.1
109.02834	3.5
111.04387	3.7
111.17387	1.9
113.02325	30.5
114.09438	2.0
115.91971	40.2
116.91995	3.8
116.92732	18.5
117.03350	3.7
119.03426	5.7
119.04922	21.4
120.05241	5.5
121.02837	4.0
125.02373	3.4
125.09630	2.8
127.03893	4.6
127.11185	4.8
129.01822	2.1
129.09091	3.9
134.03656	20.9
134.06003	4.0
135.02859	5.2
135.04041	7.7
135.06381	3.8
136.04774	2.4
137.02370	4.2
143.03400	5.1
145.02859	4.6
145.04965	4.7
148.05136	3.4
149.05972	11.5
150.06322	9.2
151.03860	3.1
155.03392	2.3
158.06104	3.5
159.02992	3.7
160.01581	5.3
161.02029	4.0
161.04451	22.3
163.03912	16.3
163.64894	2.3
164.04256	4.5
165.01810	5.2
165.05464	3.6
171.10248	2.2
173.04457	12.7
174.04839	3.9
175.03894	13.7
176.04312	8.9
178.05020	2.5
179.05493	6.5
183.02899	3.3
187.13281	4.0
191.05562	13.0
191.52370	2.0
201.11261	75.9
202.11571	3.1
203.05418	3.3
204.03058	2.6
206.04503	7.4
207.04848	4.2
210.97018	10.2
214.01668	2.7
215.02008	2.4
220.06032	8.4
221.06406	7.9
221.11856	2.6
233.06660	8.2
234.06929	5.3
234.97089	3.1
253.09175	14.7
275.14996	28.0
313.12784	7.2
319.14014	2.0
331.17624	5.0
349.18768	10.1
357.00717	33.2
357.11694	5.6
358.01041	6.9
358.11926	2.3
371.78619	2.1
391.19775	6.5
393.08478	5.0
414.08914	2.2
428.51062	2.3
437.07391	68.9
437.20435	32.8
438.06998	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.4
57.03312	3.3
59.01251	13.3
69.03331	1.0
70.12135	4.7
71.01255	22.9
71.10605	1.0
72.99177	4.0
73.02825	4.1
75.00748	25.6
83.01257	3.3
83.36639	0.9
85.02827	26.5
86.03162	1.0
87.00767	5.2
89.02319	2.5
93.03300	1.2
95.01265	2.7
97.02882	0.9
98.20573	1.1
99.00778	7.7
101.02326	6.6
113.02335	27.5
115.00251	2.0
117.01835	1.6
118.09309	1.0
119.04916	7.8
119.97980	1.1
135.04424	5.9
146.96779	1.1
154.66136	0.9
161.04541	1.9
175.02365	3.6
179.09238	1.1
205.53079	1.1
220.06102	1.0
233.06511	1.1
261.13400	2.6
401.07321	1.0
437.16614	100.0
438.16946	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	437.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
55.87175	0.4
57.03334	4.1
58.00460	0.5
59.01253	10.2
68.99693	1.0
69.03324	0.6
70.33870	0.8
70.34238	1.7
71.01257	21.5
72.99189	4.7
73.02824	4.2
75.00750	26.9
76.01072	0.5
83.01272	3.1
84.02055	0.8
85.02827	31.9
86.03152	0.6
87.00753	8.2
89.02308	2.4
95.01268	3.4
97.02827	0.9
99.00761	10.1
101.02327	8.4
103.00317	0.7
103.54861	0.4
106.18695	0.4
111.00771	1.1
112.01534	1.5
113.02336	29.8
114.02632	0.7
115.00269	2.0
117.01818	1.6
119.04930	2.3
125.02351	0.6
126.77841	0.4
129.01839	1.0
135.04442	1.6
135.70630	0.4
157.01375	1.1
159.02885	0.6
161.04485	1.6
173.04523	0.7
175.02399	2.9
261.13470	2.9
263.48224	0.4
319.14063	0.5
339.63666	0.4
375.16422	0.6
377.14597	0.6
419.15729	0.6
437.16629	100.0
438.10861	0.6
438.16962	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	437.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62129	0.9
51.72035	0.7
55.01751	1.6
57.03309	4.3
58.51210	0.7
59.01254	21.1
59.48075	0.6
71.00893	1.4
71.01258	20.6
71.35009	1.7
72.99187	4.7
73.02815	1.9
75.00750	28.4
83.01270	2.2
84.02048	0.8
85.02829	24.6
85.03349	1.2
87.00760	9.0
89.02318	9.2
95.01266	3.7
99.00757	10.6
101.02319	5.6
112.01524	0.9
113.02335	29.2
115.00262	2.2
117.01804	1.9
119.03404	2.4
124.71408	0.8
129.01770	1.5
131.03386	1.2
157.01233	1.1
173.04439	2.8
175.02412	4.3
325.16415	0.8
437.16629	100.0
438.16962	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	437.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60286	0.8
55.01746	2.0
56.32072	0.8
57.03322	6.9
58.00465	1.2
59.01250	24.4
64.74409	0.8
68.99685	1.0
71.01257	32.6
71.57121	1.9
72.99183	4.4
73.02817	5.0
73.03794	0.8
75.00747	36.6
79.95613	2.0
83.01260	4.8
85.02825	36.4
86.03152	1.0
87.00756	10.7
89.02319	5.5
93.03338	2.4
95.01257	3.8
96.95911	0.9
97.02848	1.4
99.00761	9.6
99.04398	1.5
100.00281	1.1
101.02319	9.6
103.00268	1.8
107.04922	1.5
112.01542	1.5
113.02333	34.7
114.02641	1.1
115.00256	2.6
117.01810	1.6
119.03440	0.9
119.04891	5.2
120.05267	1.4
123.04421	1.2
125.02332	1.8
127.11172	1.1
129.01807	3.1
134.03629	3.5
134.06027	1.1
135.04045	1.9
137.02321	1.4
147.04436	1.6
149.05972	2.6
150.06364	1.8
151.03940	0.9
157.01385	1.4
159.02943	0.8
160.01544	1.9
161.01903	1.7
161.04454	2.7
163.03909	2.9
164.04303	1.5
173.04433	5.1
175.02385	3.6
175.03925	3.3
176.04279	2.5
177.09108	1.5
179.03421	1.8
179.07059	2.5
180.06593	1.2
201.11272	17.4
202.05058	2.1
202.11624	1.0
206.04529	3.7
207.04832	2.5
220.06102	3.3
221.06390	3.3
233.06573	2.4
234.07048	1.6
235.34216	0.9
239.09381	1.0
253.09247	3.0
253.87244	0.9
256.64694	0.9
261.13379	1.6
313.12860	1.1
356.11462	1.0
357.11755	2.9
377.14667	1.3
393.08514	1.1
419.15915	1.1
437.07648	15.2
437.16620	100.0
438.07315	2.5
438.16849	9.7
444.63016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00951	3.9
59.01253	75.8
66.03361	6.1
67.01759	3.5
69.03298	2.2
69.85745	3.8
69.86152	8.0
71.01269	9.8
72.00801	3.3
72.99193	18.4
73.02830	3.0
75.00744	9.0
79.95605	8.1
81.03338	2.9
83.04913	1.9
84.43919	1.6
85.02831	13.2
87.00741	6.4
89.02309	3.0
93.03333	22.8
97.02848	2.1
98.02372	5.2
98.20435	3.2
99.00766	4.1
100.00298	1.8
100.56857	1.5
101.02336	3.4
107.04921	18.3
109.02834	9.0
111.04414	5.9
113.02342	10.3
117.03313	2.3
119.04926	13.8
121.02847	13.6
122.02325	1.9
123.04446	3.2
124.01525	3.4
125.02335	13.8
131.04916	5.3
132.04445	2.8
133.02837	4.8
134.03642	17.6
134.05995	6.0
135.04427	29.0
137.02394	12.3
144.04459	3.5
145.02850	2.0
146.05980	2.6
147.04413	22.6
148.05141	3.4
148.07603	4.0
149.05992	25.0
149.99472	5.0
152.09293	1.7
153.01813	1.9
155.03374	7.4
158.06046	14.5
160.01582	9.2
160.03908	3.4
161.02368	9.1
163.03889	10.1
168.00571	14.1
173.04482	50.0
174.05597	4.2
175.02507	2.5
175.03920	20.0
176.07104	4.5
179.03397	7.3
180.06604	2.4
184.03989	5.7
188.31946	1.6
191.05501	4.5
193.05002	2.1
201.11261	7.0
202.05031	38.2
206.04515	17.4
214.01727	3.7
215.05479	2.6
215.79863	1.5
220.06100	100.0
221.06470	5.2
233.06638	39.6
234.06949	2.6
240.72238	1.8
253.08827	1.8
282.94833	1.7
312.12460	4.6
318.58301	1.6
335.07715	3.2
349.09137	2.6
356.11325	7.7
358.09308	7.3
376.10391	5.8
385.27789	1.8
392.08099	3.6
436.07217	53.4
436.13437	3.3
437.07568	6.7
437.16632	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03041	1.7
56.72365	1.9
59.01254	100.0
60.41444	1.8
66.03367	7.4
67.01767	2.8
67.17405	1.9
69.60572	10.4
71.01270	6.0
72.00777	2.3
72.99190	26.6
75.00717	1.7
79.95627	10.7
92.52475	1.8
93.03352	23.0
98.02351	12.6
98.20477	2.4
100.00288	8.5
101.02357	2.0
107.04922	18.4
111.04406	5.8
117.03374	2.5
119.04923	29.1
121.02836	25.7
131.04907	6.7
132.02077	2.3
132.04524	2.8
134.03639	31.8
134.06024	10.7
135.04420	14.4
137.02289	9.9
144.04424	3.1
146.06070	3.9
147.04417	27.3
148.05223	6.6
148.07484	4.2
149.05998	60.9
150.06316	2.4
155.03439	7.9
158.06020	14.5
160.01595	15.4
160.04004	2.8
161.02333	2.4
162.03125	2.6
163.03926	16.6
173.04478	46.1
174.05478	6.1
175.03926	38.8
176.07088	3.2
178.05058	3.4
180.06567	3.5
184.04012	4.6
190.05119	3.2
191.05580	5.7
192.52206	2.2
193.04994	4.7
195.06638	3.4
196.14960	1.9
201.11340	8.5
202.05043	37.8
206.04515	25.8
210.98061	1.9
214.01749	7.7
215.05659	2.2
220.06117	93.2
221.06407	4.1
233.06633	46.2
234.06960	2.5
267.46149	1.9
297.10123	2.2
312.12427	8.4
349.09274	4.1
356.11322	16.6
358.09363	4.9
376.06146	2.7
376.10391	14.9
392.07962	3.1
394.11896	2.4
436.07108	65.0
436.12521	8.0
437.07413	7.2
445.24240	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	436.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	92.4
60.61702	1.7
62.83025	1.8
66.03379	4.6
67.01775	3.0
69.03310	1.7
69.20932	1.7
69.98560	10.2
71.01258	8.0
72.00806	2.0
72.70367	1.8
72.99183	26.2
75.00735	1.8
79.95617	14.2
80.96394	2.6
81.03325	3.3
83.04872	1.7
85.02817	2.5
87.00768	3.2
93.03343	42.4
98.02345	5.5
98.19865	2.8
99.00763	2.1
100.00287	6.3
101.02341	1.8
107.04918	16.9
109.02857	5.4
111.04401	5.3
116.74125	1.8
117.03345	3.2
119.04919	27.2
121.02840	16.3
123.04431	3.8
130.04123	2.2
131.04941	4.3
132.02145	2.1
132.04442	3.9
133.02867	3.5
134.03651	34.3
134.06021	7.4
135.04436	19.3
137.02356	31.1
144.04480	4.4
146.06012	2.7
147.04427	26.7
148.05162	8.8
148.07588	3.8
148.24165	1.9
149.06003	40.0
155.03397	15.0
158.06027	14.1
160.01573	16.7
161.02357	6.6
163.03929	16.6
173.04483	87.4
174.05606	5.0
175.03928	31.2
176.07127	4.4
178.04987	4.2
179.03424	6.0
180.06615	5.0
184.04074	4.1
190.05070	2.8
191.05595	6.6
193.04951	2.3
195.06612	2.0
201.11324	16.2
202.05031	42.5
203.05402	2.2
206.04538	27.7
214.01773	4.5
215.05643	2.6
220.06114	100.0
221.06473	4.2
223.23146	1.8
225.54163	1.8
233.06651	58.1
234.07031	3.6
253.09177	3.6
297.10196	2.4
297.34604	1.8
312.12390	8.1
333.76236	2.4
335.07492	3.3
349.08859	2.2
356.11435	18.3
358.09412	5.7
376.10382	9.6
392.08087	8.7
393.08771	3.0
434.25375	1.9
436.07144	81.2
436.12524	12.6
437.07248	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	436.0709
Annotation	Cladoniamide A
Peak:m/z	Relative Intensity
59.01236	3.1
66.15652	0.8
69.75984	0.8
69.76326	5.8
72.00767	2.8
77.38863	0.8
79.95611	13.3
80.96391	1.8
84.28483	0.8
93.03332	0.8
98.20528	1.5
100.00291	11.0
107.04945	4.7
110.86622	0.8
113.38612	0.8
119.04925	31.0
120.05260	1.1
132.02032	2.9
134.03639	37.7
134.05980	10.3
135.04370	2.8
138.96278	0.9
148.05220	7.7
149.05992	25.8
150.06360	2.0
160.01585	19.6
160.02945	0.6
161.01976	1.2
163.03928	25.1
175.03943	33.7
176.04410	0.9
178.05052	5.5
180.06604	6.2
187.38129	0.9
190.05049	2.5
206.04547	48.6
207.04887	2.4
214.01791	7.6
220.06070	0.9
286.00296	1.0
297.10037	2.6
312.12460	11.2
313.12793	1.7
356.11368	27.9
357.11871	4.1
370.11343	0.9
392.08075	6.3
436.07074	100.0
437.07333	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	436.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.5
65.57708	0.8
69.03339	5.4
71.01277	3.2
71.57610	1.4
72.99219	1.0
75.00757	2.3
79.95618	6.0
81.03333	1.7
81.26214	0.9
83.01271	2.2
85.02849	1.3
87.00762	1.8
89.02362	0.9
93.03360	3.2
95.01291	2.6
97.02856	3.6
100.00319	2.5
101.02380	0.9
107.01307	1.2
107.04958	2.2
108.02077	1.6
111.00778	0.9
113.02325	1.5
119.04932	9.0
121.02856	1.6
122.02370	14.7
123.00769	10.1
123.04436	1.3
124.01566	27.3
124.02439	1.7
125.02351	61.5
126.02702	2.3
132.02049	1.0
134.03642	12.5
134.05980	4.2
135.04454	3.3
136.01530	1.3
137.02348	6.4
147.04401	1.3
148.05284	3.0
149.05977	9.4
149.99504	41.1
151.00238	2.6
151.15672	0.8
158.06044	1.2
160.01582	7.3
161.02420	2.0
163.03893	5.8
165.01842	1.2
167.03406	1.4
168.00571	66.7
169.01314	6.9
173.04530	3.6
175.03934	10.1
178.04994	1.4
180.06624	1.9
191.05490	0.9
201.11263	8.2
202.05106	1.9
206.04507	7.5
207.04974	1.4
214.01819	1.4
220.06174	4.7
233.06595	2.2
253.09210	1.0
295.04742	1.0
312.12604	2.4
313.05630	7.2
314.06213	1.0
347.50009	0.8
356.11368	4.0
358.13959	0.9
392.08051	2.3
400.45044	0.9
405.62857	1.1
418.07996	3.5
436.08771	100.0
437.08936	9.8
437.16226	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	436.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.6
59.47822	0.8
69.31564	9.0
71.01248	1.0
72.00780	3.3
79.95612	27.3
80.96410	5.4
89.02317	1.2
93.03339	2.0
98.19781	1.2
100.00284	9.7
107.04883	4.1
117.86401	0.9
119.04918	29.9
120.05244	1.8
121.02859	1.4
132.02069	2.4
133.05226	1.6
134.03633	41.3
134.05997	13.5
135.04474	5.1
148.05186	13.1
149.05992	23.7
150.03084	1.0
150.06352	1.7
160.01566	20.7
161.02229	2.9
162.03062	1.5
163.03934	18.9
163.06062	1.0
169.57823	1.0
173.04506	3.0
174.36372	1.0
175.03925	28.9
176.04410	1.0
177.05554	1.2
178.05013	8.9
180.06564	6.8
181.06786	0.9
185.99840	1.2
190.05017	2.8
199.00668	1.5
202.05063	1.4
206.04549	21.2
206.08174	2.0
207.04807	1.3
214.01770	10.2
215.00063	1.0
220.06125	2.0
233.06660	1.5
250.07329	1.4
253.08784	1.4
260.02383	1.4
274.04498	1.2
297.10034	4.4
312.12411	16.8
315.75986	1.0
356.11465	8.9
377.05630	1.2
392.08151	9.9
393.08307	1.6
404.74557	1.0
436.07071	100.0
437.07477	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	435.2518
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
51.77260	0.7
52.36940	0.6
62.23055	0.7
71.57658	1.1
78.15196	0.7
78.95780	55.0
79.16694	0.6
96.96833	6.6
99.60547	0.8
120.82910	0.7
120.96863	0.7
133.13161	0.6
150.97958	1.0
152.99500	100.0
153.99846	1.5
171.00610	3.9
195.65108	0.7
267.23312	2.7
281.24777	1.3
329.84235	0.8
380.20825	0.7
435.25104	5.3
436.25656	1.1
437.28754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.57827	48.9
71.58282	57.0
78.95744	41.8
92.82771	44.8
152.99554	85.6
166.80873	43.0
205.47888	42.6
254.37646	42.2
265.73181	41.8
273.03171	48.3
275.01419	65.8
300.02716	62.4
302.03525	60.1
303.72327	41.1
328.26096	48.5
399.10300	51.3
430.19107	55.3
435.23190	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.0
57.03591	0.7
58.29512	0.6
59.01252	19.0
67.01764	0.8
68.99705	1.3
69.03334	3.2
69.39237	4.2
69.39664	2.3
71.01250	17.4
72.99193	5.6
73.02818	2.7
75.00745	19.4
81.03307	0.7
83.01240	0.8
83.04907	0.8
85.02824	18.8
87.00751	6.7
89.02318	4.0
91.03866	1.3
93.03324	1.1
95.01245	5.7
98.19720	1.4
99.00755	8.6
103.00230	1.4
111.00766	1.3
113.02324	20.1
113.09605	6.2
115.00284	1.5
115.07534	3.1
117.01833	3.4
121.43433	0.6
125.02324	0.8
125.09593	2.7
127.85982	0.8
129.01842	1.4
138.10553	0.6
157.08670	0.9
159.79303	0.7
167.03337	1.7
175.02415	3.1
185.11755	100.0
186.12157	4.5
194.87991	0.8
212.81966	0.7
231.05037	1.9
249.06117	24.4
250.06294	0.8
267.07251	0.8
272.03171	0.9
273.07642	1.2
375.16479	1.6
417.17596	2.8
435.18655	95.7
436.19052	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	435.1299
Annotation	Phloridzin
Peak:m/z	Relative Intensity
57.03331	1.2
59.01255	7.6
61.39597	0.2
61.83583	0.2
63.02310	0.2
63.12326	0.2
65.00201	1.0
65.25457	0.3
67.01757	0.2
69.03339	0.3
69.26398	0.5
69.26808	3.0
71.01269	0.5
71.09528	0.2
75.00758	0.3
81.03334	8.8
82.17656	0.2
83.01264	4.2
85.02835	0.4
93.03347	7.2
94.03673	0.5
95.01274	0.4
95.04911	0.9
101.02387	0.3
107.01287	1.5
109.02863	0.4
111.04413	0.7
111.51286	0.3
113.02345	0.5
119.04924	8.4
120.05274	0.3
121.02857	0.3
121.37457	0.2
123.04421	29.2
124.01633	0.3
124.04783	0.7
125.02350	14.0
135.04433	0.9
139.03908	0.3
147.04393	0.5
149.02353	2.0
151.00284	2.9
163.03860	0.5
165.01836	0.3
166.02443	0.3
167.03426	72.0
168.03769	2.7
169.06462	0.4
171.04530	0.3
177.01886	0.3
179.03432	7.0
180.03734	0.3
187.07513	0.4
189.01894	0.4
189.05560	1.7
190.02573	0.3
191.03444	1.1
211.07597	0.4
228.03661	0.4
229.08713	0.8
249.06062	0.5
255.06569	0.6
256.03223	0.4
257.03601	0.4
273.07697	100.0
274.08041	6.7
286.04105	0.8
287.04410	1.0
288.04712	0.6
289.05078	0.5
297.07593	0.5
301.03336	0.4
306.15616	0.3
341.06531	1.0
377.26053	0.3
435.12149	0.7
435.23010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53912	0.4
58.37039	0.4
58.54319	0.3
59.01253	7.1
62.31112	0.4
62.80151	0.4
71.01228	1.9
71.58466	0.6
72.99163	1.4
73.02812	0.5
75.00732	0.7
78.95753	0.4
83.01259	0.7
85.02803	1.1
87.04362	0.8
89.03785	0.4
91.01746	0.8
93.03333	9.4
95.04874	1.0
96.20482	0.4
97.02811	0.5
101.02310	1.2
103.05370	0.8
105.03305	0.6
107.04923	0.4
108.02043	0.5
109.02837	17.2
110.03172	0.6
117.03371	3.0
119.04930	2.6
121.02844	0.9
122.03584	0.5
123.04410	15.5
124.01699	0.4
124.04707	0.5
125.02309	0.8
133.02863	2.7
135.04404	0.6
137.02303	1.0
145.02853	7.9
147.04436	4.6
148.01495	0.8
149.02364	1.0
150.03084	1.5
151.03922	6.5
152.71805	0.4
153.01836	0.5
159.04391	1.3
161.02345	2.9
161.05977	0.5
162.03127	0.9
163.03903	1.3
165.01862	0.8
175.03920	1.1
176.01094	1.2
176.28387	0.5
177.01862	24.2
178.02286	0.8
187.03912	1.9
189.01866	53.1
190.02606	11.1
191.03444	12.4
203.03452	5.5
203.07056	0.4
216.00581	8.6
217.01373	32.5
218.01967	3.7
219.02953	13.9
219.98851	0.4
220.03355	0.6
225.05479	0.5
227.07039	0.8
229.04990	0.9
231.02954	12.3
232.03459	1.3
233.04440	1.4
234.15581	0.5
241.05013	1.8
243.06570	0.5
245.08208	1.0
269.04578	1.1
271.03296	0.6
271.06064	3.4
273.20798	0.6
280.61960	0.5
281.04437	1.9
283.06094	2.0
289.07202	5.0
297.07684	1.3
302.03342	1.0
303.04028	0.9
311.05618	5.8
323.05603	1.7
325.07397	0.5
341.06656	100.0
342.06998	9.1
435.10867	29.0
435.17062	0.7
435.20038	0.6
435.25964	3.1
436.11108	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53045	0.8
59.01255	18.4
60.01593	0.9
69.03297	1.0
70.82558	2.7
71.01247	3.7
78.95769	1.8
81.03351	6.0
83.01246	2.9
85.02820	3.8
93.03337	68.4
94.03648	1.5
95.01253	1.7
95.04929	0.8
98.19824	0.9
99.00726	1.3
101.02310	2.1
108.02054	62.4
109.02863	26.8
113.02337	2.3
119.04945	5.0
121.02805	1.4
123.00780	1.4
123.04432	9.4
125.02337	5.6
127.26286	1.0
133.02879	1.5
135.04375	2.6
137.02345	100.0
138.02649	2.9
143.68643	1.1
151.00311	1.6
151.03903	1.9
152.01060	87.3
152.99554	1.7
153.01859	37.1
154.02155	0.9
163.03928	2.7
165.01805	2.0
167.03416	27.9
168.03734	1.6
173.28975	0.9
175.08163	0.8
179.03397	2.7
181.04938	1.4
191.03410	3.6
195.02872	1.5
209.04463	1.6
271.02408	1.9
273.07672	27.9
274.08026	2.6
297.05963	19.2
298.06589	0.9
300.02722	1.4
301.03162	1.1
302.03342	3.1
303.04037	1.3
315.07159	18.0
316.07358	1.3
355.21674	1.0
435.09277	83.1
436.09653	9.7
444.07169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	4.3
57.98322	0.6
58.00457	0.9
58.04651	0.6
58.18316	0.7
59.01255	100.0
60.01592	1.1
63.02286	0.6
65.00205	1.5
68.99671	0.7
70.76691	0.6
71.01256	16.2
71.84747	0.6
72.99187	1.4
73.02829	3.6
75.88034	0.6
81.03336	1.4
83.01266	3.8
83.04885	0.6
85.02832	5.2
87.00737	1.1
89.02318	9.2
93.03352	1.4
95.01274	2.2
95.04913	1.3
97.02795	0.6
97.06477	0.8
99.00784	1.7
99.04410	1.3
101.02328	9.2
107.01280	2.2
108.02084	1.4
109.02840	4.0
113.02330	8.3
115.04086	0.6
115.91222	0.6
119.01279	0.7
119.03403	3.3
121.02860	1.8
125.02347	31.2
126.02684	1.3
129.89848	0.6
134.03716	0.7
135.00809	3.2
137.02324	3.1
137.05989	0.7
139.03949	1.2
143.03429	1.0
148.01576	1.5
149.02322	0.9
151.00264	8.2
153.01837	1.4
153.96436	0.7
159.04451	0.7
161.02393	0.8
161.04497	2.7
163.00272	2.0
163.04005	0.7
165.01857	3.8
167.03435	11.9
169.01251	1.1
175.03964	0.8
178.99754	4.4
197.11766	5.0
199.03986	1.5
209.11736	1.0
209.15364	1.6
211.03954	0.9
227.03426	3.1
229.18065	2.4
243.03024	6.6
245.04526	1.1
249.06166	0.9
253.14339	3.2
254.02161	1.0
255.02971	16.3
256.03320	2.1
265.10828	6.6
271.02487	35.2
272.02908	4.2
273.03918	0.6
283.02441	1.5
289.10858	3.8
299.01855	1.1
300.02744	53.3
301.03503	44.5
302.03760	5.0
373.22198	2.9
391.23376	7.1
392.23660	1.0
396.70758	0.6
397.13223	0.8
415.13986	2.0
415.23987	0.6
433.07742	24.0
433.13818	1.4
433.24432	1.7
434.07990	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
62.09822	0.2
62.96282	0.3
70.32851	0.4
70.33282	0.7
78.95783	49.5
96.96847	6.4
110.20509	0.2
150.97929	1.5
152.99503	100.0
153.99837	1.8
171.00569	4.4
206.96747	0.2
279.23209	1.3
286.38919	0.3
433.23663	5.1
433.29327	0.2
434.23941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
62.96282	0.3
65.98750	0.2
72.75114	0.2
78.95779	67.6
84.11697	0.2
93.94718	0.2
96.96845	5.7
118.97898	0.2
118.98849	0.2
138.02586	0.2
150.53229	0.3
150.97926	1.6
152.99496	100.0
153.99834	1.9
160.35178	0.2
168.20636	0.2
171.00560	2.6
271.02493	0.4
279.23267	1.8
300.02618	0.7
301.03641	0.4
433.07162	0.3
433.23618	7.7
434.23792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.5
59.52098	0.2
62.96279	0.3
63.49358	0.3
67.21052	0.2
70.89137	0.7
77.48233	0.2
78.95783	51.2
96.96850	5.9
99.22717	0.2
146.26195	0.3
150.69566	0.2
150.97920	1.9
152.99504	100.0
153.99858	1.9
159.64972	0.2
171.00572	4.3
187.33765	0.2
271.02530	0.3
279.23300	1.1
300.02710	0.4
301.03360	0.6
374.90842	0.2
433.23618	4.5
434.24026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03999	0.6
56.44950	0.7
57.03318	1.0
59.01255	100.0
60.01611	0.7
71.01257	7.1
71.58051	0.8
71.64123	0.6
72.99183	0.9
73.02823	1.6
75.00755	1.8
75.06708	0.6
80.96452	0.6
83.01277	0.9
85.02834	2.6
87.00765	1.7
89.02331	5.6
95.01286	1.2
99.00773	1.2
101.02334	3.9
107.01278	1.4
109.02857	1.2
113.02332	5.3
117.01828	0.6
118.78821	0.7
119.03434	1.4
119.04935	0.8
121.02847	1.1
131.03520	0.7
147.02936	0.7
151.00314	6.1
161.04503	1.2
163.00314	1.7
169.01431	0.9
178.99852	2.8
179.14265	0.7
183.10213	2.4
190.25580	0.6
199.04004	0.7
211.03885	1.3
211.13394	2.5
213.14876	4.7
215.03416	0.8
223.13394	2.2
226.02702	1.8
227.03436	1.3
234.71922	0.6
241.14413	15.6
241.16696	1.1
242.14676	0.9
243.02979	6.3
245.04529	1.0
249.06186	3.7
251.12848	1.4
253.14420	0.7
254.02267	1.6
255.02971	11.5
256.03531	1.3
267.07202	1.2
271.00021	0.5
271.02493	29.0
272.02908	3.6
300.02759	36.5
301.03500	26.1
301.06973	1.2
302.03885	2.1
315.14798	1.2
315.18167	4.1
343.18054	1.4
354.73111	0.6
433.07883	16.0
433.16977	7.7
433.22812	0.9
434.08279	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	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.2
58.00455	1.1
59.01253	100.0
60.01580	1.7
63.02273	1.0
69.03316	0.9
69.40406	1.7
69.40810	4.6
71.01257	23.2
72.99183	1.5
73.02831	2.7
74.64246	0.7
78.76974	0.6
83.01272	2.9
83.96421	0.6
85.02830	6.5
87.00740	1.8
89.02318	17.3
91.82998	0.6
92.04947	0.7
93.03344	1.1
95.01291	2.3
99.00771	1.9
101.02334	12.4
107.01294	2.8
108.02064	2.2
109.02855	2.4
111.00780	1.1
113.02324	7.8
119.03402	7.4
121.02848	2.3
123.00771	0.8
125.02325	1.2
135.00731	0.8
143.03445	1.0
148.01529	1.0
151.00293	12.6
152.01013	2.0
158.72411	0.7
161.04491	5.1
163.00311	2.5
166.42676	0.7
169.01385	0.7
178.99777	5.2
179.05566	2.9
180.15471	0.7
183.10269	1.6
187.03940	1.4
195.13832	1.4
199.03937	1.4
211.03894	2.3
215.03517	0.9
216.04280	0.9
227.03418	5.3
242.02150	0.7
243.02960	11.2
244.03346	2.0
245.04437	1.5
249.06149	2.0
253.18094	1.1
254.02184	2.2
255.02975	25.3
256.03522	3.5
257.04526	2.9
271.02481	44.0
272.03061	8.2
283.02524	2.7
299.01938	1.1
300.02740	68.7
301.03482	53.9
302.03821	4.5
331.17627	1.8
433.07693	41.9
433.16122	4.0
433.24332	3.5
434.07489	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	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67169	0.4
55.87809	0.5
59.01252	100.0
60.01593	1.4
65.00207	0.7
71.01255	2.4
73.02830	0.6
83.01286	0.7
85.02880	1.1
89.02332	1.6
95.01263	0.7
101.02355	1.7
107.01237	1.2
109.02859	1.8
113.02360	1.0
119.03440	1.0
119.04887	1.0
121.02845	1.0
123.00787	0.7
125.02367	1.6
135.00774	1.0
136.03972	0.7
151.00284	4.7
152.00961	0.6
161.04510	0.8
162.01906	1.0
163.00270	1.0
169.17213	0.6
178.99811	1.7
181.04904	0.7
187.03928	0.5
203.03561	0.7
211.03932	0.8
215.03323	0.5
226.02760	0.6
227.03502	2.2
243.03000	4.9
245.04623	0.7
254.02225	0.8
255.02959	10.0
256.03357	1.2
257.04538	1.6
271.02472	19.6
271.05557	0.8
271.10754	0.7
272.03043	3.2
272.05768	0.9
273.03961	0.6
283.02582	1.3
300.02740	28.5
301.03488	23.5
302.03748	2.6
373.12802	1.5
418.12643	1.0
433.07684	17.6
433.14890	2.0
434.08234	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	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20422	0.5
55.97836	0.5
59.01252	100.0
60.01586	1.1
61.56638	0.6
62.52543	0.5
67.22646	0.6
67.40949	0.6
67.73123	0.5
71.01259	3.3
72.99189	0.6
73.02828	1.7
83.01257	0.7
85.02848	2.2
89.02316	2.6
91.01776	0.6
95.01282	1.4
99.00780	0.8
101.02341	2.3
107.01287	1.0
108.02103	0.9
109.02839	1.4
113.02357	2.5
119.03407	0.8
119.04953	0.8
121.02859	1.0
125.02285	0.6
132.73662	0.5
134.03662	1.2
135.00882	0.8
135.04440	1.8
139.00372	1.1
139.03972	0.8
143.78040	0.6
145.02827	0.6
151.00279	5.6
153.01852	0.8
159.04442	0.7
161.02324	0.7
161.04419	0.8
163.00365	0.8
175.04086	0.7
178.02565	0.7
178.99821	2.8
190.02705	0.6
193.04977	1.6
197.11798	4.1
219.18765	0.6
227.03580	1.8
243.02983	5.0
245.04663	0.9
254.02397	0.8
255.02994	12.0
256.03329	1.2
257.03674	1.1
271.02487	20.2
271.05563	1.0
272.02820	2.8
283.02753	0.8
284.03452	1.0
285.03955	1.1
286.04242	2.1
287.04691	2.3
300.02753	32.4
301.03494	26.4
302.03976	2.1
309.07867	0.6
330.38641	0.6
373.12973	1.9
401.12143	0.7
403.10074	0.6
418.12949	1.1
433.07986	10.9
433.15259	3.1
434.08102	1.5
437.56039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.1
65.00198	1.3
70.71868	4.1
71.01227	1.7
73.94981	1.2
80.04923	6.9
94.06508	9.2
95.03637	2.6
96.04383	1.1
96.08069	4.0
97.01579	4.3
98.06015	1.2
101.02289	1.5
104.04934	2.7
106.02856	2.1
106.06483	3.5
107.01314	1.6
108.04430	4.2
109.02765	1.5
109.05209	3.2
110.06042	1.1
120.04457	8.2
121.05231	2.3
122.06020	32.7
123.04413	2.5
124.03929	2.2
124.06673	2.4
124.07584	40.4
136.03960	12.0
136.07574	1.5
138.05559	2.1
139.98561	1.2
140.07066	3.6
148.03960	72.0
148.07579	1.7
149.04427	1.9
150.05525	20.1
151.00267	4.9
152.07104	2.7
163.00157	1.4
166.05017	18.9
168.06590	13.8
178.12283	1.6
178.99806	2.5
188.89571	1.3
194.04507	3.4
199.12285	1.3
210.04066	6.3
215.08217	1.9
215.11748	1.8
227.03601	1.9
228.08951	1.9
229.09776	1.8
229.13622	1.7
231.11461	6.1
241.09875	2.7
243.02948	4.4
243.11302	3.7
255.03017	9.3
255.11516	1.9
271.02496	23.3
272.02777	2.2
273.12479	45.7
274.12811	3.9
291.13538	51.8
292.13846	5.3
300.02783	28.8
301.03494	25.8
317.11423	12.3
325.51627	1.3
326.33707	1.3
334.11743	4.4
335.12515	100.0
336.12820	6.6
358.11209	1.4
389.20663	8.1
433.07730	14.5
433.19745	12.5
434.07690	1.7
434.19406	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	433.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	5.4
57.03314	6.4
58.00464	3.6
59.01254	65.8
60.01588	1.5
62.34855	1.1
69.03319	3.1
69.33106	4.2
69.33527	7.7
71.01255	86.4
72.01596	1.2
72.99191	2.8
73.02824	13.0
75.00742	1.8
83.01261	9.5
84.78201	1.2
85.02828	25.5
87.00765	2.1
88.65760	1.1
89.02320	43.7
90.02692	1.8
94.19754	1.2
99.00783	6.1
101.02339	10.1
113.02344	6.2
117.01830	2.6
119.03388	2.5
121.10118	19.9
122.10439	1.3
122.14079	1.2
131.03403	15.1
135.02834	2.3
139.11174	2.3
141.56960	1.3
149.04489	2.2
165.09135	6.8
167.10689	3.2
174.51048	1.5
183.10178	3.1
211.13364	1.6
241.14407	6.8
243.02872	1.4
255.03069	1.5
271.02469	3.8
300.02789	5.4
301.03497	3.8
315.14487	100.0
316.14841	8.8
355.58908	1.3
413.00903	1.5
433.07724	3.6
433.17163	73.6
434.17538	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	433.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	27.5
59.01253	72.6
67.01697	2.7
68.99674	7.1
69.03327	37.5
69.23313	17.3
69.23734	21.8
71.01254	65.9
71.04879	9.4
72.99172	17.3
73.02831	6.7
75.00749	70.2
83.01244	5.7
85.02823	73.7
87.00748	21.8
89.02310	19.3
91.03887	4.8
93.03338	5.2
95.01266	18.7
99.00760	34.6
111.00743	4.4
113.02341	61.3
115.00237	6.9
117.01826	8.0
123.08054	4.2
139.11218	33.6
140.77254	3.4
175.02330	4.7
183.10185	40.9
205.77060	3.6
249.06136	50.3
250.06566	3.3
267.07260	15.8
289.87799	3.9
374.58301	3.6
433.17117	100.0
434.17419	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	433.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75367	0.8
55.01735	1.5
57.03325	8.3
58.00462	1.4
59.01254	44.7
65.00195	1.1
67.01749	1.4
69.03331	10.1
69.26574	7.6
69.26985	2.4
71.01256	37.6
71.04881	1.6
72.99184	8.2
73.02819	3.8
75.00750	21.0
81.03352	1.2
83.01255	2.0
85.02828	32.6
87.00748	10.2
88.16184	0.9
89.02319	15.8
93.03355	5.3
95.01270	9.3
98.19846	2.2
99.00774	14.3
101.02327	4.2
103.00247	3.3
108.02044	2.6
109.02861	1.0
111.00755	1.7
111.04352	1.1
111.08039	2.4
113.02336	41.3
113.05978	1.9
115.00265	2.4
117.01871	4.5
117.03333	1.2
119.03419	2.1
119.04900	4.2
121.10110	1.4
123.08072	1.4
129.01831	3.0
131.03407	2.0
137.02318	1.6
139.00284	1.2
139.11205	12.4
145.02899	7.6
157.01358	0.9
161.90450	1.1
163.03914	3.2
165.09091	1.0
167.03424	1.5
173.04436	1.3
175.02371	4.2
180.93692	1.0
183.10191	25.2
184.10426	1.1
193.03491	1.3
205.07080	2.6
214.08308	0.9
223.08098	1.8
231.04973	1.1
249.06113	14.6
267.07190	22.9
271.02423	2.0
300.02805	1.9
301.03372	1.8
310.56250	1.0
315.14444	8.5
382.26413	1.0
415.15906	2.2
433.17078	100.0
434.17596	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	433.1142
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03324	0.5
59.01254	24.2
63.02272	3.6
63.64864	0.3
64.81528	0.3
65.00196	9.7
68.99719	0.4
69.31761	0.7
69.32179	3.0
70.00056	0.3
71.01261	1.2
73.02816	0.5
81.03369	0.5
83.01260	7.8
85.02842	0.7
89.02299	0.8
89.65962	0.3
92.14907	0.3
93.03334	5.1
95.01244	0.6
97.02804	0.4
98.20553	0.7
101.02355	0.9
107.01279	16.6
109.02847	1.0
113.02352	0.7
117.03383	1.0
119.04924	34.1
120.05273	1.2
121.02832	1.2
125.02365	3.8
133.02809	0.3
137.02330	1.1
143.04924	1.3
145.02866	4.4
149.02377	0.7
151.00282	60.1
152.00597	2.0
153.01799	0.5
157.06529	0.4
161.05931	0.7
163.00327	0.5
164.01012	0.5
165.01877	6.3
169.01350	4.3
175.03932	0.4
177.01862	4.9
178.02199	0.4
178.99818	1.0
183.08133	0.3
185.05969	2.8
187.03891	3.3
193.01436	0.5
197.11737	0.4
199.07617	0.5
203.07092	0.4
227.03494	0.7
227.07092	3.6
229.04990	0.8
243.03009	2.1
251.12848	0.5
252.13162	0.5
253.04991	0.5
255.02997	4.4
256.03271	0.4
269.04584	0.6
271.02628	8.5
271.06116	100.0
272.03174	0.7
272.06476	7.6
283.02374	0.5
286.04239	0.4
295.06061	0.5
300.02768	14.1
301.03510	12.0
301.16406	0.6
302.03900	1.0
313.05499	4.3
433.07178	3.5
433.11383	5.4
433.19949	0.4
434.07178	0.7
434.12253	0.8
457.74191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01733	0.7
57.03332	1.0
59.01251	23.0
65.00194	3.4
68.99679	0.7
69.03316	1.9
69.98309	3.5
71.01257	17.3
72.01587	0.7
72.99195	1.2
73.02809	3.0
75.00747	1.8
75.06575	0.6
78.95765	0.6
79.01781	1.2
80.82451	0.6
81.03329	2.4
83.01263	5.9
85.02826	6.6
87.00754	1.5
87.04382	0.6
89.02327	9.2
93.03337	5.8
93.68842	0.6
95.01252	2.5
95.04904	0.7
97.02839	4.4
99.00747	1.2
101.02319	4.9
105.03316	1.5
105.27708	0.7
107.01286	5.9
108.02027	0.7
109.02853	2.5
111.04353	0.7
113.02341	4.4
117.03333	1.1
119.03414	1.8
119.04922	35.2
120.05262	1.7
121.02839	6.8
121.10097	1.2
123.00762	2.1
123.04424	1.7
125.02354	14.0
131.03389	1.8
133.02882	1.1
135.04413	0.8
136.01527	0.7
137.02357	4.5
143.04967	4.1
145.02831	3.8
147.04390	0.8
149.02374	5.4
149.04463	0.6
151.00275	12.7
151.03912	1.1
152.00708	1.1
155.03365	1.1
161.02327	0.7
161.04465	1.9
161.06013	1.9
163.00278	5.8
163.03947	1.4
164.01045	1.1
165.01857	8.9
165.05444	0.8
165.09134	0.8
166.02179	0.7
167.03426	4.1
169.01248	0.8
173.04469	0.9
174.70773	0.7
177.01830	2.9
178.99707	0.9
179.03429	2.0
179.05518	1.0
183.10187	1.0
185.05984	1.7
187.03958	2.9
190.99684	0.7
191.03412	1.9
193.01375	23.7
199.07593	0.8
203.07079	1.0
205.01392	1.8
207.02936	1.6
219.02913	2.4
223.02431	3.0
225.14903	2.5
227.07039	0.9
229.04973	0.9
233.06670	0.9
241.08698	0.8
255.03026	2.2
267.07098	1.0
269.08197	1.5
271.02545	2.7
271.06134	11.2
272.06360	1.1
283.06155	2.1
300.02707	4.8
301.03528	4.5
313.07187	100.0
314.07602	8.5
315.14520	9.2
316.14813	0.9
317.15103	0.9
325.07132	2.1
343.08237	27.7
344.08530	3.3
355.08276	2.0
373.13110	0.6
397.09253	0.9
401.12387	2.3
415.10526	2.6
433.11420	13.6
433.17093	6.4
433.25174	1.2
434.11685	1.0
439.49313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43351	0.4
57.03312	0.4
59.01251	100.0
60.01603	0.5
63.02270	0.5
64.73617	0.4
65.00209	1.2
71.01255	4.7
73.02827	1.4
83.01279	1.0
84.70539	0.3
85.02844	1.6
89.02312	4.7
93.03354	1.0
95.01288	1.4
95.92953	0.3
98.19805	0.7
99.00808	0.5
101.02329	2.7
101.75449	0.4
107.01279	1.6
109.02858	1.5
111.00790	0.8
113.02351	1.9
119.03411	1.7
119.04929	0.6
121.02834	1.0
123.00792	0.6
124.01532	0.7
125.02347	1.2
135.00813	0.7
136.98735	0.5
137.02359	0.8
139.00334	0.6
145.02922	0.7
148.01570	0.8
151.00287	5.5
151.03915	0.4
152.01077	1.1
153.01836	0.6
158.97762	0.4
161.02368	0.7
161.04469	0.9
162.01910	0.4
163.00308	1.4
164.01007	0.5
165.01814	0.5
166.02626	0.4
167.05014	0.4
169.01414	0.5
178.99741	2.4
179.05589	0.5
183.02942	0.5
183.04478	1.0
187.03946	0.8
193.01286	0.4
193.05051	0.5
199.03925	0.5
203.03427	1.1
211.04005	1.0
226.02635	0.6
227.03455	4.1
228.03749	0.4
229.05142	0.5
239.03540	0.6
243.02971	7.4
244.03616	0.6
245.04514	0.9
254.02194	0.8
255.02966	17.2
256.03372	1.8
257.04553	2.8
271.02481	30.7
271.10803	0.9
272.03052	4.2
273.04117	1.8
282.01743	0.4
283.02368	2.2
285.03647	0.6
299.01965	0.6
300.02747	38.5
301.03497	28.1
302.03952	1.4
331.17325	0.5
373.13086	0.9
418.12787	0.4
433.07724	24.9
433.14813	1.6
433.24493	0.7
434.07806	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37910	0.6
53.28976	0.5
59.00156	0.5
59.01229	0.9
63.02267	1.1
65.00195	1.3
69.26554	0.7
69.26885	6.2
77.29169	0.5
83.01233	0.9
107.01276	1.8
108.02079	1.3
109.02794	1.9
121.02859	1.4
130.04515	0.6
148.01547	1.7
151.00266	6.8
159.04593	0.8
163.00261	1.6
164.01073	0.9
178.99826	3.2
199.03876	1.1
211.03949	0.9
216.04031	0.6
226.02737	2.2
227.03447	4.1
243.02983	13.0
244.03441	1.2
254.02196	2.2
255.02968	29.1
256.03348	1.5
271.02484	63.7
272.02936	6.4
283.02716	1.0
299.01926	1.8
300.02756	100.0
301.03415	22.2
302.04047	0.8
433.07764	32.1
434.08206	2.3
456.13931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0775
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
50.85270	0.5
63.02246	1.1
65.00194	1.5
83.01263	0.7
107.01263	3.9
108.02103	1.5
109.02832	2.3
116.99928	0.6
121.02831	3.1
148.01570	1.7
151.00279	11.6
163.00299	3.5
164.01096	1.0
175.04034	0.6
178.99826	5.8
183.04428	0.7
199.03897	1.5
201.05524	0.6
211.03928	2.2
215.03325	1.1
216.04184	0.6
226.02678	1.4
227.03488	4.3
228.04088	0.6
229.05113	0.9
229.90730	0.6
230.01343	0.7
243.02968	10.7
245.04510	1.6
250.74249	0.6
254.02177	1.4
255.02991	23.6
256.03259	1.4
271.02490	44.6
272.02960	4.6
273.04095	0.7
283.02441	1.3
284.62463	0.6
299.02112	1.6
300.02753	77.8
301.03519	100.0
302.03897	6.2
363.16525	0.6
433.07764	38.7
434.08362	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02275	0.7
65.00204	1.1
69.68797	4.0
89.48660	0.6
107.01281	1.7
108.02055	1.4
109.02827	1.3
121.02851	1.5
130.44327	0.5
148.01578	1.2
151.00269	8.4
163.00249	2.1
178.99776	4.9
198.03220	0.9
199.04021	0.8
211.03975	1.2
226.02654	1.6
227.03394	2.7
229.04907	0.7
243.02974	10.2
244.03514	0.7
245.01266	0.6
245.04465	1.1
254.02232	2.1
255.02954	18.3
256.03387	1.2
259.29077	0.7
260.33463	0.6
267.14139	0.6
271.02475	41.3
272.02972	4.3
273.03909	0.8
283.02567	0.7
299.01962	1.2
300.02744	100.0
301.03494	80.3
302.03918	4.7
334.49017	0.6
433.07724	78.7
434.08115	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	432.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	0.2
59.01250	3.8
60.92204	0.1
68.01294	0.7
70.98383	0.1
71.01252	4.2
71.56952	0.1
71.57368	0.2
72.99184	0.3
73.02830	0.5
75.00753	0.3
77.20948	0.1
83.01269	0.3
85.02834	0.6
86.02356	0.3
87.00778	0.3
89.02320	4.8
92.77119	0.1
95.04915	0.2
97.02795	0.3
99.00770	0.3
99.73058	0.1
101.02324	1.5
113.02336	1.3
119.03419	0.3
122.02339	0.4
123.03156	10.1
124.03523	0.2
125.02358	1.7
131.03410	1.3
132.82755	0.1
134.06129	0.2
135.04362	0.2
136.07542	0.2
137.04730	0.3
138.05508	100.0
139.05855	3.3
143.03448	0.2
149.04475	1.6
152.07065	0.3
161.04457	0.8
165.04080	0.1
173.04532	0.3
180.06587	1.2
191.05556	1.3
233.06601	0.6
263.47076	0.2
293.08813	1.4
294.43292	0.2
300.10919	1.9
432.15051	6.1
433.15387	0.6
433.20792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01589	0.5
62.66836	0.4
71.01260	6.8
71.01606	0.5
72.99187	0.7
73.02836	1.9
74.02357	1.3
75.00756	1.1
83.01263	1.2
85.02847	1.9
87.00805	0.5
89.02323	2.7
99.00796	0.7
101.02325	3.4
107.01299	0.9
113.02332	3.5
125.02383	0.8
137.02293	0.6
138.01868	0.9
146.34198	0.4
151.00287	1.0
151.04080	0.5
159.02997	0.6
161.02425	0.7
161.04503	3.3
163.00354	0.5
163.15727	0.5
173.02441	0.4
214.02719	0.9
227.03455	8.9
229.05125	1.3
241.01454	4.0
242.02068	1.1
243.03014	0.6
245.00864	2.2
250.03972	0.5
251.13086	0.5
255.03000	12.3
256.03653	1.7
257.04596	1.2
268.03760	0.9
269.04541	1.3
270.01645	3.1
271.02472	3.2
283.05191	0.5
284.03253	9.6
285.04041	14.2
285.07135	0.7
286.04590	1.7
298.01276	1.8
299.02060	3.0
342.88922	0.4
371.20898	3.5
431.05756	2.4
431.10822	7.2
431.18668	1.2
431.23224	1.7
432.06055	0.8
432.11145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.3
57.03310	0.7
59.01254	100.0
60.01593	0.8
68.99709	0.3
71.01255	5.5
71.34135	0.3
71.34460	0.5
72.99195	0.9
73.02817	1.9
74.02345	0.3
75.00745	1.4
83.01244	1.4
85.02827	2.7
87.00760	1.2
89.02315	3.0
89.02823	0.3
90.35369	0.3
95.01293	0.5
99.00801	1.1
101.02324	3.2
103.00287	0.4
103.01884	0.2
105.39051	0.3
107.01283	0.5
108.02092	0.2
109.02867	0.8
113.02343	3.4
116.85975	0.3
119.03437	0.5
125.02356	0.8
133.02820	0.4
137.02415	0.3
138.01927	0.7
143.03430	0.5
143.04709	0.3
145.02872	0.4
149.09586	0.4
151.00304	1.1
152.01080	0.5
155.10780	0.9
157.98569	0.3
159.02956	0.3
160.90617	0.3
161.02406	0.4
161.04477	3.3
163.00377	0.4
164.00992	0.2
171.04503	0.4
178.99799	0.4
183.04488	0.3
186.03143	0.5
186.33038	0.3
187.04002	0.5
191.14471	0.3
199.03951	0.3
207.13857	0.3
211.03972	0.6
214.02820	0.4
227.03456	9.9
228.03902	0.9
229.05074	1.7
239.03603	0.3
241.01401	3.5
241.05167	0.5
242.02162	1.2
243.02959	0.3
245.00926	1.8
245.10860	0.2
251.12891	1.0
255.02985	11.2
256.03476	1.4
257.04611	0.5
267.07620	0.3
269.04678	1.0
270.01651	3.0
271.02554	2.1
284.03290	9.5
285.04019	13.5
286.04440	1.1
293.02008	0.9
298.01257	1.8
299.02002	2.7
371.20786	3.2
372.21344	0.3
387.16693	0.5
393.47733	0.3
415.19849	0.3
431.05261	1.2
431.10623	6.9
431.23062	1.1
432.10141	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.7
58.82285	0.5
59.01247	4.8
69.03339	1.6
69.92144	0.5
71.01256	1.4
71.58058	1.0
72.18752	0.6
74.22296	0.5
77.30215	0.5
86.72867	0.5
97.06467	12.0
113.02354	0.9
119.04871	0.7
123.08050	6.7
125.09615	100.0
126.09962	3.6
143.10687	1.4
151.00285	2.3
167.89819	0.5
169.01100	0.7
169.08604	2.1
187.09683	88.9
188.10027	3.2
227.03465	0.8
241.01405	8.0
242.02119	1.9
243.12354	1.2
245.00789	3.1
255.02879	1.4
261.13419	23.3
262.13745	1.4
270.01685	5.3
271.02432	3.6
284.03354	1.7
285.03998	2.4
298.01248	4.0
299.01962	4.7
431.06122	6.0
431.22821	49.2
432.06668	0.9
432.23212	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	431.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81304	0.2
70.89101	0.2
70.89420	0.4
78.95779	65.2
96.96842	6.3
150.97913	1.7
152.99493	100.0
153.91136	0.3
153.99864	0.9
164.93420	0.2
171.00560	4.6
196.44702	0.2
222.81462	0.3
277.21765	0.9
282.98169	0.3
322.25967	0.3
431.22018	3.8
432.22263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56093	0.2
56.44431	0.2
56.59222	0.2
59.01250	0.3
64.50217	0.2
65.99823	0.2
71.79207	0.2
78.95778	73.5
96.96842	5.1
98.20551	0.7
98.60178	0.2
110.59015	0.2
111.99066	0.2
121.16868	0.2
130.25284	0.2
133.46259	0.2
150.97945	1.9
152.42981	0.2
152.99495	100.0
153.99834	1.5
171.00563	3.3
229.46848	0.2
241.01328	0.3
255.41463	0.2
270.01413	0.2
277.21719	1.2
291.18427	0.2
295.65027	0.2
301.47107	0.2
323.03433	0.2
431.22021	7.4
431.27988	0.4
432.22412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54531	4.6
57.03325	5.6
58.00452	4.5
59.01253	84.8
60.74650	3.4
67.32933	3.7
70.09785	3.8
71.01254	90.8
71.57043	5.7
72.99174	11.0
73.02817	20.0
75.00742	8.3
83.01243	5.5
83.53322	3.7
83.58670	4.1
85.02818	36.5
87.00740	9.1
89.02323	44.4
94.96322	3.7
95.01283	6.4
97.02815	6.1
97.96893	3.8
99.00751	7.7
99.92440	5.6
101.02316	51.5
103.00331	5.2
113.02329	37.5
115.91940	11.5
119.03396	19.4
125.02322	12.7
125.05905	4.5
135.02882	4.5
138.06778	14.1
139.07516	11.0
143.03375	5.9
151.07515	18.9
152.08325	32.0
153.09123	100.0
159.02974	6.4
161.04489	49.1
168.00571	7.3
170.46927	3.8
174.01598	10.8
179.05539	8.7
183.80653	3.8
205.12308	42.8
223.13376	45.4
231.04999	3.9
249.06131	8.6
267.07379	8.2
268.03644	7.3
269.04529	15.2
304.06506	4.3
355.13184	4.3
385.18683	86.5
386.18875	11.8
431.10843	19.6
431.19803	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	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47076	0.8
58.00470	1.6
59.01255	49.6
69.53719	6.8
71.01263	20.2
72.99200	2.8
73.02840	3.0
75.00770	0.9
77.98717	1.0
83.01263	1.7
85.02837	3.9
87.00797	1.3
87.44190	0.8
89.02325	20.6
95.01241	1.9
96.11806	0.8
99.04402	31.1
99.66811	0.8
100.04738	1.0
101.02332	10.3
107.01316	1.0
111.04398	1.9
113.02348	8.7
116.71142	0.7
119.03416	6.9
151.00218	1.2
152.99265	0.9
179.05618	1.6
187.04083	1.2
189.12758	4.9
207.13861	30.4
208.14305	2.3
211.03996	1.1
227.03470	42.2
228.03915	2.9
229.05147	2.2
233.11806	0.9
241.01434	2.0
242.02284	1.4
243.02922	0.9
251.12877	100.0
252.13235	8.5
255.02986	54.4
256.03479	9.0
257.04468	2.3
269.13934	1.0
270.01810	2.5
271.02515	2.0
284.03284	48.7
285.03995	26.6
286.04443	2.0
298.01199	2.2
299.01953	1.8
346.18893	1.0
431.09995	46.6
431.18759	20.5
432.10339	6.3
432.19586	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85964	0.7
59.01254	100.0
61.67969	0.7
69.23447	7.4
69.23862	2.2
71.01252	4.0
73.02837	1.3
75.00749	2.3
80.76246	0.7
85.02821	1.8
87.00767	1.6
89.02320	2.0
93.03331	0.8
96.56432	0.9
101.02338	2.3
107.04914	2.9
111.04398	1.7
113.02332	2.9
113.64868	0.8
122.82181	0.8
125.02335	1.0
135.02905	2.0
137.02312	1.3
138.05507	0.8
151.03978	0.9
161.02374	3.5
161.04443	1.8
176.04733	2.5
179.03377	5.1
191.07097	1.0
193.83290	1.0
194.05753	7.9
209.06171	1.2
209.08163	17.6
249.06067	2.7
269.10229	1.6
298.28726	0.8
313.09119	0.9
431.15405	3.0
445.29642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05113	1.3
59.01236	4.3
60.99176	14.3
70.56760	3.5
70.57133	3.1
75.00762	1.7
79.63458	1.3
87.00741	2.5
88.00254	1.6
88.98682	100.0
89.02326	9.2
100.61160	1.5
108.02020	1.7
108.98650	1.4
109.02851	1.9
137.02316	2.4
172.82245	1.8
202.24097	1.8
240.09142	1.4
338.20221	1.8
403.24442	1.6
404.87836	1.6
431.12125	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	431.0984
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
56.18957	0.3
57.84985	0.3
59.01239	0.8
63.02254	0.5
65.00187	0.6
69.29252	2.6
73.07355	0.2
91.01757	0.7
93.03330	1.4
102.88306	0.2
107.01279	1.8
107.01918	0.4
109.02829	0.5
117.03351	0.5
131.04860	0.3
132.02113	0.7
134.47006	0.3
135.00774	1.4
137.02359	0.3
139.98756	0.3
143.04945	0.8
145.02777	0.4
151.00267	0.8
153.01787	0.4
156.05661	0.4
157.06487	0.6
158.13493	0.3
159.04382	0.8
163.00270	1.8
164.00906	0.4
165.01807	0.3
167.04915	0.5
169.06516	0.6
171.04372	0.6
173.06020	0.4
174.02910	0.3
175.03729	0.3
178.99812	0.4
180.35007	0.3
183.04443	1.3
185.02380	0.4
185.06029	2.1
187.03940	2.4
189.05544	0.5
190.99948	0.3
195.04427	0.8
197.05954	0.7
199.03923	0.7
200.04753	0.4
201.05482	0.5
211.03955	3.0
212.04657	0.3
213.05530	1.3
214.02673	0.3
223.03922	0.4
227.03453	43.7
228.03830	3.1
229.05019	8.8
230.05371	0.4
239.03479	1.8
240.04132	0.8
241.01419	0.3
241.05006	1.3
243.02986	0.6
251.64854	0.3
255.02971	62.0
256.03482	8.0
257.04565	4.5
258.04987	0.5
267.02939	0.7
283.02411	0.4
283.96753	0.4
284.03268	51.3
285.04025	100.0
286.04385	7.8
327.05115	0.9
431.09830	54.3
432.10211	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	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.62357	1.5
68.55534	1.5
70.00676	3.2
70.01095	6.0
82.25795	1.5
116.64619	1.9
147.38338	1.7
185.09703	1.8
190.62666	1.6
221.06076	1.7
235.62436	1.6
297.22772	1.7
300.87714	1.7
343.07703	1.5
445.42459	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	430.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97442	0.8
57.03331	1.2
59.01246	4.5
65.00206	2.0
69.24326	10.8
71.01280	2.0
85.02780	1.2
92.01805	0.8
97.02827	1.4
98.19727	1.4
108.47601	0.9
125.09631	3.9
147.29825	1.1
149.99538	1.1
151.00291	1.4
162.42015	0.9
165.01859	4.3
166.02617	1.1
178.99786	2.9
187.09705	3.5
194.99808	1.0
207.02908	1.1
210.02382	1.4
232.97797	6.7
236.02370	1.0
241.01437	4.3
242.02295	1.9
245.00931	3.6
261.13339	1.4
266.98538	1.1
268.03796	3.2
270.01721	3.9
279.01691	1.8
280.02524	10.9
281.02826	1.7
285.03818	1.2
294.04019	1.8
297.98172	1.4
298.01297	2.7
299.02084	3.0
307.01315	6.8
308.02005	2.6
309.02826	10.3
311.99921	1.4
321.02689	1.5
322.03552	10.0
323.04352	28.5
324.04800	1.4
335.04309	1.4
336.01437	1.8
339.99176	21.2
340.99811	2.8
342.00867	1.6
350.03094	6.0
351.03610	1.5
353.02084	1.3
354.00641	7.0
355.01642	1.9
356.02728	1.1
357.33167	1.1
365.05423	1.7
367.98782	2.9
368.04016	1.2
368.99521	18.8
382.00305	1.2
383.01080	100.0
384.01752	35.6
384.06729	1.4
385.02316	2.8
398.03427	83.1
399.03751	8.8
430.06061	68.4
431.06232	11.2
431.22791	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07852	3.1
59.01252	100.0
59.53943	3.5
71.58475	6.8
130.10782	3.3
424.25461	4.4
429.30075	10.0
440.32697	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	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34486	1.8
59.01255	100.0
67.53088	1.6
69.57411	2.0
71.50090	4.0
72.43001	1.8
75.05756	1.7
78.60083	2.3
106.93951	2.2
109.71311	1.8
126.75658	1.6
288.64948	2.2
319.39474	2.0
335.52185	1.8
435.87442	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	429.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01588	14.7
61.01675	10.8
62.27726	1.1
71.49276	2.4
78.95786	1.1
82.12515	1.0
89.02338	1.6
91.03903	2.7
96.95898	26.9
98.50948	1.1
101.02325	1.4
116.23556	1.2
141.71794	1.2
146.88422	1.1
189.83878	1.1
232.52841	1.1
293.21234	4.5
294.21646	5.5
295.21826	7.4
297.99429	1.2
307.41977	1.4
326.53766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71434	11.5
58.40823	12.1
59.01251	54.3
69.53605	100.0
71.01260	14.6
75.00754	15.8
86.15273	13.2
117.32739	11.5
166.88524	13.6
279.87439	13.6
284.04028	11.8
300.03024	13.5
311.22333	76.8
313.03336	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	429.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71434	11.5
58.40823	12.1
59.01251	54.3
69.53605	100.0
71.01260	14.6
75.00754	15.8
86.15273	13.2
117.32739	11.5
166.88524	13.6
279.87439	13.6
284.04028	11.8
300.03024	13.5
311.22333	76.8
313.03336	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	429.2132
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01754	1.0
57.03319	2.0
58.00480	1.3
59.01256	100.0
60.01588	1.2
69.01315	0.3
69.03342	0.8
69.28737	2.4
69.29160	1.4
71.01260	23.3
72.01594	0.4
72.99184	1.9
73.02822	8.3
75.00762	0.6
81.20425	0.4
83.01266	3.9
85.02831	9.4
87.00771	1.7
89.02324	11.7
92.35477	0.4
95.01275	1.6
97.02865	0.9
99.00781	1.7
101.02328	16.1
102.02695	0.8
102.22440	0.5
113.02341	10.8
114.02705	0.5
119.03397	5.2
125.02341	1.1
131.03485	0.5
137.09647	1.2
143.03423	1.1
145.05107	0.4
149.02505	0.4
149.04500	0.7
152.08392	0.7
155.52663	0.4
159.02931	0.5
161.02374	0.4
161.04456	2.2
163.11288	0.6
175.78239	0.3
195.13857	0.7
197.15427	1.8
205.12292	0.9
207.13817	2.0
209.15468	0.5
225.14934	9.0
226.15401	0.7
238.38669	0.4
267.07422	0.6
304.35260	0.4
334.80347	0.4
335.78229	0.4
369.12405	0.5
369.19186	23.7
370.19589	2.4
387.20285	42.1
388.20685	3.5
429.21344	8.3
430.21820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
58.00470	1.1
59.01255	100.0
60.01583	1.4
69.03343	0.5
69.40063	4.8
71.01259	13.6
72.99193	1.4
73.02841	1.4
73.26604	0.5
83.01253	0.8
85.02823	2.5
87.00763	1.0
87.67558	0.5
89.02322	20.1
95.01283	0.8
99.04451	0.8
101.02332	7.9
113.02335	5.9
119.03384	7.0
131.03455	0.8
137.09645	1.1
143.03416	1.5
151.03857	0.7
161.04469	1.3
179.05533	3.3
205.12344	0.6
240.60042	0.5
249.11317	7.3
250.11813	0.5
269.04721	0.6
311.49442	0.5
326.57397	0.6
387.20282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83651	0.3
59.01241	0.3
60.10421	0.2
68.12632	0.2
99.92463	5.9
100.92590	0.3
100.93243	3.6
107.98037	0.3
115.91964	100.0
116.91969	4.9
116.92751	6.5
117.92563	0.2
118.72575	0.3
119.13514	0.3
124.19650	0.2
130.34135	0.2
132.92241	0.9
140.26584	0.2
140.58960	0.3
155.95128	0.3
158.32430	0.2
165.18187	0.3
172.95401	3.9
173.95439	0.3
255.23331	0.9
355.15784	0.7
381.17343	0.4
429.19427	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20590	0.6
54.37258	0.5
55.01771	0.8
57.03318	1.5
58.00476	1.6
59.01253	100.0
60.01581	1.2
69.03323	0.8
71.01257	25.8
71.58232	1.1
72.99192	2.4
73.02823	17.3
75.00758	0.9
78.95786	1.0
83.01271	7.0
85.02826	7.4
87.00774	2.4
89.02322	8.7
93.03353	1.7
95.01276	1.9
97.02858	0.7
99.00774	1.6
101.02329	18.5
108.02071	1.6
109.02871	0.8
113.02341	10.9
119.03406	2.1
121.02932	0.6
125.02335	1.2
131.03470	1.2
137.02573	0.6
143.03418	1.0
149.04564	0.7
152.01059	1.3
152.08418	3.9
155.10617	0.7
161.02380	0.7
161.04472	4.7
171.10170	3.3
173.04483	1.0
182.45401	0.7
190.02733	1.3
201.11301	0.8
205.05107	0.9
207.10310	0.8
225.14912	3.7
233.06741	0.7
340.66675	0.8
369.19247	6.8
387.20242	16.7
387.24899	0.9
388.20798	1.4
429.14059	1.2
429.21570	2.2
430.21484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81128	0.7
57.03331	2.1
59.01254	9.2
63.02263	3.7
64.85600	0.7
65.00187	4.6
70.03940	0.8
71.01257	6.0
83.01269	3.5
85.42411	0.8
89.02305	4.7
95.01257	1.2
101.02325	3.1
103.37270	0.7
107.01257	8.6
107.04910	2.8
109.02844	2.1
113.02326	3.8
119.03387	2.9
123.00808	1.0
124.01546	3.4
125.02367	6.1
125.09610	1.0
151.00282	29.0
152.01056	7.5
153.01854	1.8
160.05234	1.1
161.13235	0.8
163.11156	1.7
165.56432	0.8
169.01334	4.1
171.10181	2.9
177.12762	5.3
178.99791	37.9
179.14345	41.6
180.14693	2.0
181.01308	1.2
189.09090	1.6
201.11168	1.5
202.06355	1.0
203.14349	6.2
205.12253	4.3
223.13347	76.6
224.13644	5.0
229.12241	1.9
247.13391	4.0
249.11279	3.7
267.12363	100.0
268.12668	6.3
271.02499	1.0
282.82230	0.9
300.02856	1.9
309.13489	4.6
325.07208	1.2
341.10068	1.1
369.09839	3.2
397.09393	1.7
429.11838	3.5
430.12119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24721	1.1
55.01751	1.6
56.94434	1.0
58.00462	4.1
59.01254	100.0
64.00902	1.0
64.03021	1.0
65.27303	1.2
70.41688	1.0
71.01257	47.7
72.01592	1.2
72.12045	1.2
72.99180	4.0
73.02823	1.8
81.06973	3.4
81.88701	1.1
83.01266	2.1
85.02829	9.3
87.00772	2.2
89.02319	42.2
95.01259	2.9
99.04392	7.6
101.02327	23.6
105.07010	1.5
111.04416	3.2
111.88419	1.0
113.02331	17.2
119.03405	18.7
143.03439	2.3
149.04401	1.4
153.01880	1.4
161.04466	1.5
161.13274	34.1
162.13527	3.3
178.99849	1.6
179.05554	3.4
187.11160	3.8
189.92384	1.2
205.12288	49.5
206.12578	2.7
249.11299	90.7
250.11580	7.8
429.17670	28.3
430.17987	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.3
57.03341	1.7
58.00466	5.5
59.01253	100.0
60.01591	1.6
71.01256	58.0
72.99191	3.6
73.02833	1.8
81.06968	2.4
83.01259	1.9
85.02828	13.0
87.00755	3.4
89.02319	61.3
95.01288	3.4
99.04398	7.0
101.02325	32.4
111.04417	3.5
113.02338	20.5
119.03395	28.2
131.03415	2.7
143.03387	3.9
149.04587	2.1
161.04419	2.0
161.13277	26.1
179.05576	6.6
186.24364	1.2
187.11163	6.7
205.12280	92.3
206.12625	5.7
215.81944	1.2
249.11299	81.6
250.11650	5.0
255.02824	1.5
284.03159	1.5
285.04178	1.8
324.53406	1.5
329.13162	1.4
387.19357	1.3
429.08264	1.4
429.17358	15.3
430.18146	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29266	1.7
56.50749	1.7
58.00473	3.0
59.01253	100.0
70.06203	8.7
71.01255	57.0
72.99181	3.2
81.06966	2.3
83.01266	2.9
85.02834	10.2
87.00764	2.1
89.02319	72.9
90.21458	1.8
95.01261	3.3
99.04392	8.9
101.02330	34.6
113.02335	25.3
114.89975	1.8
119.03393	32.0
125.02338	2.1
128.88930	1.8
131.03413	2.8
143.03450	3.1
149.04475	4.8
153.04593	1.6
154.07016	1.8
161.04466	2.4
161.13280	35.1
162.13481	2.2
179.05518	8.7
187.11229	4.9
205.12288	78.0
206.12650	4.5
249.11308	93.7
250.11653	8.6
288.75006	1.9
308.87088	2.1
385.18582	1.8
429.17700	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91739	1.7
57.03328	4.9
59.01253	50.9
62.85075	1.7
64.42414	1.6
67.01775	2.3
68.99704	4.4
69.03334	3.1
69.23392	5.0
69.23802	17.6
71.01259	37.7
71.24437	1.6
71.76170	1.9
72.99191	11.2
73.02829	5.0
75.00749	39.9
83.01263	4.3
85.02827	38.1
87.00755	17.3
89.02329	11.2
89.18849	1.9
95.01260	8.0
97.02792	1.8
99.00767	21.4
101.02326	5.3
103.00271	6.2
109.02848	3.8
113.02337	48.9
115.00232	4.5
117.01842	7.0
119.03379	1.9
125.02297	2.6
129.01804	3.3
135.11671	4.3
151.00372	2.0
160.94437	1.8
161.02373	7.2
163.00299	4.0
169.60284	1.8
174.01068	2.1
175.02402	6.0
179.10703	91.6
180.11064	4.4
185.11810	1.9
231.04974	9.8
249.03517	3.6
249.06134	72.3
250.06421	2.5
267.07281	10.7
305.14923	5.0
331.66220	1.9
341.18411	2.1
357.14468	3.4
369.15411	2.3
399.18338	3.5
411.17340	5.3
429.17590	100.0
430.18094	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	429.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65393	1.3
53.69282	1.1
55.01749	3.3
57.03333	2.7
59.01254	17.2
64.27685	1.1
68.99685	3.5
69.03329	14.3
71.01260	11.6
71.04901	4.8
71.58582	1.9
72.00777	3.7
72.99194	1.6
73.02833	3.0
74.02338	9.4
75.00737	3.1
77.51617	1.4
78.95778	3.9
81.03336	11.4
83.01258	7.3
83.04909	3.9
85.02836	9.8
86.02353	26.5
87.00751	3.7
89.02338	2.4
92.04923	9.5
93.03350	2.7
94.06528	1.8
95.01272	3.6
97.02824	10.3
99.00755	26.6
99.04424	4.9
101.02302	4.2
109.02856	7.5
111.00767	15.3
111.04427	4.3
113.02348	14.1
118.02888	2.4
121.02803	2.2
124.01584	1.3
125.02346	16.0
127.03909	4.5
130.06567	4.1
131.03662	8.5
132.04454	34.8
133.04803	1.8
134.06053	2.0
136.03949	1.9
137.02336	13.3
139.03912	4.3
144.04456	36.9
146.04742	1.4
151.00319	1.5
152.10670	2.2
155.03426	18.7
156.06807	2.2
157.07628	70.4
158.06029	9.1
158.07993	3.5
166.08607	2.1
167.06053	10.3
170.10066	1.3
172.07607	3.9
173.07155	1.3
175.08629	2.9
186.09193	2.4
187.09950	4.1
188.10693	1.6
201.06706	8.1
202.05016	2.4
208.09741	100.0
209.10371	6.9
211.12372	13.5
212.12714	1.7
219.07712	85.3
220.07988	6.0
225.14139	2.1
229.13470	2.4
229.29068	1.2
230.84549	1.3
233.64418	1.4
249.13988	2.3
253.09772	1.4
255.11449	1.6
267.12238	1.3
267.15076	1.5
273.12469	4.9
282.01791	2.6
283.18155	2.2
285.20715	1.7
297.12213	1.3
298.01288	4.5
299.13974	8.5
304.15173	1.9
310.01199	4.3
311.01794	2.0
321.15985	1.8
326.00735	6.0
327.01263	1.7
339.13516	80.1
339.17010	3.4
340.13763	8.7
349.15564	4.3
367.16675	20.0
368.16949	1.9
373.05798	7.0
374.05737	1.4
381.13922	1.2
385.17722	29.2
386.17984	3.8
393.14554	1.7
399.15540	11.5
401.05240	1.8
411.15640	12.9
412.15887	2.1
429.16608	23.4
429.25580	2.4
429.69839	1.3
430.17010	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	429.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83979	1.5
53.69051	1.3
57.03327	3.5
59.01252	75.8
67.01778	2.0
67.69537	1.2
68.99667	1.7
69.03327	1.4
70.45263	1.2
71.01251	31.4
72.01588	1.8
72.99173	5.4
73.02818	11.4
75.00746	11.1
78.95750	1.5
81.03336	1.6
82.33656	1.4
83.01248	3.8
85.02827	21.7
87.00751	9.2
89.02316	8.4
93.03346	13.0
95.01262	3.5
97.02846	1.8
99.00770	7.6
101.02327	11.5
106.05313	1.3
107.04873	2.0
108.02065	3.2
109.02811	3.1
111.00753	2.0
111.04369	1.5
113.02341	29.0
115.00221	2.3
116.04950	5.5
117.01822	1.3
117.05246	2.0
121.02840	5.1
123.04433	8.4
128.03412	1.3
129.01846	1.9
131.52237	1.4
133.02837	10.0
134.06004	2.1
135.03555	2.0
135.04443	19.5
137.02325	5.7
149.02338	2.2
151.03909	11.7
152.99379	1.2
153.01793	1.6
155.03424	1.6
161.02364	17.5
161.04370	1.4
161.35211	1.2
162.02838	1.2
163.11186	16.8
173.04514	11.1
175.02411	2.7
178.05058	1.7
179.03452	11.1
191.05580	2.2
195.02898	1.9
207.10309	2.2
213.03938	1.9
215.05534	4.5
233.06767	6.6
243.12152	1.3
249.06094	11.1
250.06497	3.9
253.07254	2.0
267.07202	100.0
268.07581	5.8
303.05258	1.5
369.15387	2.1
387.16620	4.2
411.14386	1.8
429.10379	31.5
429.17590	36.5
430.11118	3.0
430.17746	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	429.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01596	1.3
67.01768	3.4
68.99683	1.4
69.03330	1.4
69.43341	9.8
71.01254	8.4
72.99177	8.2
73.02826	1.6
75.00745	2.4
81.03333	4.5
82.03254	1.0
83.04916	2.6
85.02849	5.5
87.00762	3.8
89.02336	1.6
93.03342	27.8
93.03921	1.8
94.03644	1.0
95.01298	1.3
95.04909	3.0
97.02839	1.7
98.19807	1.7
99.00744	2.7
99.63335	1.0
101.02363	1.2
105.03348	2.5
107.04905	1.3
108.02052	5.2
109.02847	8.3
111.04386	5.6
113.02296	5.6
119.04906	2.2
121.02845	8.8
123.00775	1.5
123.04407	21.0
125.02350	2.5
127.03921	1.9
133.02873	10.0
135.04405	5.9
137.02357	7.9
142.66980	1.1
145.02742	1.1
149.02344	6.0
151.03918	15.5
155.03369	5.9
161.02345	4.4
163.04036	0.9
167.03429	1.7
173.04482	36.4
174.04849	1.3
177.01859	10.3
179.03415	4.2
179.07050	1.4
191.05557	3.6
191.82321	0.9
195.02853	7.9
215.05614	2.7
233.06638	31.0
234.07085	1.4
249.06110	3.5
267.07269	13.0
351.07080	1.5
407.33804	1.1
429.10095	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	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01572	2.6
67.01760	2.2
69.03316	1.7
69.30751	8.1
71.01265	5.5
72.99189	10.4
73.02799	1.4
74.59195	0.7
78.95764	1.5
81.03320	0.9
83.04901	2.0
85.02821	2.2
87.00761	2.1
89.02313	1.0
93.03340	25.0
95.04922	1.3
96.96848	1.2
101.02300	2.3
108.02053	3.6
109.02808	2.9
111.04414	4.8
113.02336	2.6
121.02859	11.4
123.04419	15.0
125.02325	1.1
128.36153	0.9
133.02834	5.8
137.02364	6.2
149.02350	3.8
151.03932	12.3
152.08318	1.1
153.09073	1.3
155.03436	4.9
167.03419	1.4
171.10152	2.7
173.04489	35.1
174.04846	1.9
176.85406	0.9
177.01929	5.0
191.05504	2.9
195.02985	6.2
215.05603	1.4
217.85484	0.8
233.06659	28.9
234.06944	1.7
237.14218	0.9
289.05652	2.2
351.07336	1.5
369.18970	0.9
379.10315	1.5
429.17752	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	429.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
61.75214	1.2
67.01752	4.8
69.03326	2.0
69.55883	6.5
69.56297	2.3
71.01261	8.4
72.99187	9.2
73.02811	2.1
78.77409	1.2
81.03336	3.3
83.01292	1.9
83.04895	2.7
85.02833	4.2
87.00756	4.6
89.02334	2.1
93.03345	36.2
94.03712	1.3
95.04895	1.4
97.02827	1.6
101.02271	2.9
107.04888	1.3
108.02052	5.7
109.02835	7.4
111.00763	2.2
111.04395	4.4
113.02309	4.8
121.02846	9.2
123.04424	18.8
127.03881	2.0
133.01997	1.2
133.02849	8.9
134.03662	1.5
137.02351	16.8
143.00726	1.1
147.09880	1.1
149.02335	4.8
151.03917	19.1
155.03383	8.0
160.01566	1.8
161.02379	1.4
167.03348	1.9
173.04475	78.5
174.04819	4.0
175.03938	4.0
177.01834	4.7
180.88846	1.2
186.05824	1.1
191.05496	1.8
193.04980	2.0
195.02884	11.2
209.59485	1.3
213.04039	1.9
215.05554	1.8
225.11458	1.2
233.04401	2.5
233.06627	43.8
234.06897	2.1
289.05688	2.5
351.07251	1.4
369.18997	1.5
429.09781	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	429.0828
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
55.01751	2.0
56.69778	1.3
57.03316	4.7
59.01254	20.2
63.02262	4.1
65.00196	7.3
67.80497	1.6
68.99670	1.3
69.36005	13.4
71.01249	18.8
72.99175	3.8
73.02808	2.7
75.00755	15.8
83.01260	9.1
85.02828	21.1
87.00748	5.5
89.02316	6.8
95.01258	2.9
97.02802	2.1
99.00741	5.0
101.02332	4.7
102.87407	1.5
103.00237	1.5
107.01263	11.7
109.02844	4.0
111.00755	2.4
113.02345	15.4
115.00320	1.8
117.01825	1.7
117.03276	1.5
119.04942	1.5
119.47871	1.3
121.02797	1.3
124.01524	2.3
125.02331	10.3
129.01927	1.3
131.04893	3.2
133.02864	1.9
134.22545	1.2
135.04440	1.4
145.02864	6.0
147.04456	1.5
151.00291	32.7
152.00984	2.8
153.01819	1.3
157.06541	1.3
159.04405	3.1
161.02351	6.5
163.00307	3.5
164.01031	2.3
165.01869	1.7
167.03528	1.6
167.04889	2.7
169.01321	3.8
169.02740	1.7
171.04480	2.1
173.02342	3.0
175.02490	2.0
175.03868	2.9
177.01735	1.6
178.49011	1.4
178.99792	14.9
181.06523	2.7
183.04419	3.0
185.02330	1.9
185.06062	2.5
187.03941	4.3
190.84305	1.6
195.04414	2.4
197.06056	2.2
201.01825	1.6
207.04361	2.1
209.06020	6.1
211.03932	7.0
213.05556	4.0
225.05547	8.0
227.03445	10.7
229.04974	2.1
232.74680	1.3
235.03972	6.5
237.05544	3.2
239.03375	2.8
251.03545	3.7
253.05075	14.0
255.02931	1.9
263.03510	3.8
267.12677	1.8
269.04572	10.1
271.22812	8.4
279.03024	13.4
280.03784	4.8
281.04572	47.7
282.01862	1.6
282.04944	2.8
285.04059	2.9
293.04666	2.2
295.02594	7.7
296.03278	13.2
297.04065	36.7
298.04373	2.7
299.05508	2.0
304.15317	18.3
304.65488	5.3
309.03964	2.0
311.01971	17.0
325.03543	100.0
326.03870	11.3
337.03375	3.3
339.04993	9.1
355.04526	2.1
367.04608	1.8
393.06046	1.8
411.06979	1.7
429.08255	96.8
429.18634	13.8
429.24811	4.3
429.68744	6.8
430.08557	11.7
433.28546	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
68.57439	0.7
69.50484	0.8
95.87504	0.8
113.09630	0.9
122.99871	0.8
229.58151	0.9
293.21301	6.7
332.01550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.4
59.01253	4.0
69.03341	2.2
69.60279	10.2
71.01267	3.7
75.00745	3.4
83.04906	2.1
97.02830	8.4
97.06500	1.7
109.02831	2.2
111.08043	18.8
117.01842	2.2
119.08620	1.3
125.09608	2.5
127.07524	1.2
135.02922	2.9
142.02570	1.4
153.12755	3.1
163.11165	3.6
165.12778	5.1
169.12262	5.5
171.10233	5.9
179.10786	1.4
181.12216	1.9
183.13814	1.3
193.12346	2.2
197.11780	71.3
198.12099	4.1
199.13382	2.0
209.11778	1.4
211.13332	10.4
227.12859	3.7
247.20569	3.5
259.06064	3.5
263.20071	2.7
265.18188	1.7
273.18686	3.6
291.16327	2.3
291.19666	59.3
292.20010	6.0
309.20721	100.0
310.21014	12.7
395.07529	1.7
427.23508	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	427.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57350	0.4
57.03307	0.9
59.01244	2.0
69.65107	2.8
71.01249	1.8
73.11598	0.5
75.00747	1.2
80.85956	0.5
94.73351	0.5
97.02863	0.5
97.06454	1.4
111.08031	0.8
113.09592	1.5
115.07528	1.5
117.01810	1.2
123.00694	0.5
125.05978	1.0
127.07566	0.5
135.02896	1.0
137.09566	0.5
139.11174	0.5
140.21410	0.6
141.09094	1.4
151.11148	1.0
152.46672	0.5
153.09000	0.5
165.12784	3.5
167.10602	0.6
167.14323	1.4
181.12227	3.2
183.13823	0.8
193.12233	1.1
193.15820	0.5
195.13840	2.0
206.23491	0.5
211.13315	3.2
213.14890	0.6
221.15407	1.2
229.14346	0.8
240.13646	1.7
247.20689	3.4
263.20129	0.8
273.18582	2.7
281.21149	1.2
291.19681	30.9
292.19992	2.2
305.42722	0.5
309.20715	100.0
310.21075	10.4
323.11948	0.5
339.11700	0.5
427.23340	8.2
428.04236	1.5
428.23676	0.9
429.83328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00462	1.1
56.27221	1.1
57.03313	1.5
59.01248	4.0
69.03338	2.2
71.01258	2.7
75.00742	4.5
84.38687	1.0
87.76955	1.1
89.02338	1.1
93.37404	1.0
97.02843	6.6
109.02856	3.0
111.08036	15.5
117.01849	2.0
123.07999	1.7
125.09584	1.6
135.02907	3.9
137.09712	1.2
143.78493	1.2
153.12715	1.6
163.11238	2.2
165.12773	6.2
169.12250	5.5
171.08948	1.1
171.10217	4.8
181.12289	2.2
183.13963	1.5
193.12135	1.3
193.15697	1.6
197.11777	65.4
198.12154	3.8
199.13387	2.0
209.11871	3.0
211.13359	7.9
220.78386	1.1
227.12897	5.2
247.20642	3.7
259.06094	3.2
263.20151	2.2
265.18149	1.8
273.18634	1.9
291.19690	48.7
292.17236	1.2
292.20081	4.8
309.20731	100.0
310.21194	7.9
395.08130	1.4
427.23248	13.3
428.23773	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83581	2.7
55.73992	2.8
59.01253	100.0
71.01263	7.9
71.03788	2.6
71.58223	3.0
82.19424	2.4
89.92504	3.2
121.02867	6.8
127.46851	3.2
147.63483	2.6
185.04466	2.8
195.13901	3.7
261.85162	2.7
293.17609	3.2
293.20956	4.5
311.22278	28.4
331.72217	3.0
425.51398	3.2
435.47250	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	427.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
57.03327	0.9
59.01251	100.0
60.01585	1.2
61.36849	0.3
69.26544	2.5
70.89346	0.3
71.01258	12.3
71.04900	0.4
72.01606	0.3
72.99183	1.3
73.02824	4.0
75.00746	0.3
75.09352	0.2
79.39312	0.3
79.42007	0.2
81.03345	0.3
83.01260	1.6
83.04895	0.4
83.56818	0.3
85.02824	5.0
87.00771	1.0
89.02309	2.6
93.03329	2.0
95.01260	1.5
95.04913	0.5
97.02843	1.0
99.00772	0.7
101.02332	4.3
109.02792	0.6
111.04409	0.7
113.02337	8.4
113.05984	0.6
115.07529	0.4
119.03429	0.7
119.04908	0.4
121.02834	2.0
121.06467	0.3
123.04411	0.8
123.08053	0.7
125.02319	0.5
125.05972	0.4
127.41450	0.3
135.04356	0.5
135.08136	0.4
136.05225	1.6
137.02347	1.7
138.06789	3.8
139.03960	0.6
139.07547	0.9
143.03458	0.4
149.02373	1.2
149.06021	0.9
151.07542	3.9
152.04720	0.3
152.08340	14.4
153.09120	20.2
154.09473	0.9
155.03476	0.3
161.04457	2.1
163.03931	0.4
163.11185	0.4
165.01848	0.9
165.09166	1.1
167.03413	0.4
167.07036	0.3
173.04492	2.6
187.11240	0.6
189.09171	0.3
190.09962	0.4
191.05559	0.8
193.01376	1.0
193.05006	0.7
205.12286	11.7
206.12677	0.9
211.06094	0.7
221.11896	0.5
223.13358	2.0
233.06563	2.7
316.39301	0.3
367.17606	7.8
367.22046	0.5
368.18088	1.0
385.18634	0.9
427.15649	0.5
427.20557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18385	1.1
57.03307	2.0
59.01251	100.0
60.01604	1.3
71.01257	23.3
71.04854	1.2
72.99182	2.3
73.02825	9.9
83.01259	2.7
85.02827	6.6
87.00750	1.3
89.02329	5.8
93.03311	2.9
96.04457	1.6
98.02306	1.3
99.00779	1.5
101.02322	10.2
108.02081	3.0
109.02824	2.4
110.93721	1.2
111.04408	1.3
112.81262	1.2
113.02327	11.2
115.00227	2.9
115.07549	3.2
119.03372	2.7
119.04923	2.2
125.82310	1.2
136.05182	2.2
137.02367	2.4
138.06770	2.6
140.03427	2.6
151.07547	3.3
152.01114	1.8
152.08321	10.7
153.01888	1.2
153.09122	21.6
155.03368	1.8
157.77229	1.1
161.04439	2.6
173.04469	2.0
179.58466	1.1
185.56833	1.2
191.05579	3.0
200.05450	1.9
205.12283	16.6
206.12601	1.5
221.11783	2.2
230.73151	1.5
265.10724	2.2
326.20276	1.3
367.17630	7.9
414.32675	1.3
427.16016	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	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66237	0.8
55.01754	0.8
59.01254	100.0
60.01587	1.4
69.03329	1.0
71.01255	11.2
73.02828	4.0
74.04820	0.9
77.09648	0.8
78.56820	0.8
83.01255	1.4
83.51678	0.9
85.02822	4.7
89.02315	2.5
95.01248	1.0
96.04407	0.9
97.02827	1.7
101.02331	3.8
108.02094	0.9
113.02334	10.5
114.54237	0.8
125.02369	0.8
136.05200	1.4
138.06781	4.4
151.07567	4.4
152.08345	15.0
153.09134	23.1
154.09441	1.4
161.04503	2.4
180.59763	0.8
190.09888	0.9
205.12291	12.2
223.13362	3.0
230.62599	1.7
279.19724	1.1
366.04291	1.0
367.17657	8.8
368.17657	1.5
385.18719	1.5
396.16718	1.0
427.20297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.3
59.01258	9.3
71.01263	22.2
71.05396	2.8
72.99166	2.9
73.02813	3.4
73.55891	1.2
75.00747	20.2
83.01232	2.9
85.02825	26.0
87.00760	8.3
89.02337	1.8
95.01273	3.2
99.00751	7.2
99.25611	1.1
101.02351	7.9
112.06303	1.1
113.02338	25.5
115.00223	1.8
117.01823	1.5
117.92242	1.2
125.02299	1.2
157.01431	1.2
161.04425	3.3
173.04495	1.5
175.02373	2.2
184.14839	1.3
248.43889	1.1
251.11334	3.3
370.65112	1.3
427.14539	100.0
428.14914	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	427.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.9
57.03310	2.4
59.01261	12.0
65.64123	0.8
69.97555	4.4
71.01262	23.8
72.99187	4.4
73.02807	4.2
75.00755	21.5
83.01260	3.0
85.02831	28.7
87.00764	6.3
89.02338	3.3
95.01286	2.5
98.19950	1.0
99.00771	8.0
99.07225	1.0
101.02345	8.0
103.00269	1.0
111.00730	1.0
113.02340	28.1
114.02675	1.4
115.00247	2.2
117.01790	1.0
129.01868	1.1
157.01358	1.3
159.02928	0.9
161.04468	2.4
175.02405	2.5
186.47052	0.8
193.92604	0.8
222.77475	0.8
238.38777	1.0
251.11406	3.5
317.16345	0.9
362.55798	0.9
367.12262	1.1
427.14590	100.0
428.14981	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	427.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.1
59.01251	35.8
61.28684	1.7
63.17411	1.4
63.43733	1.5
68.99686	3.3
69.03331	3.5
69.55372	9.8
69.55789	2.4
71.01252	33.2
72.99185	14.4
73.02837	3.7
75.00751	14.6
77.03822	2.8
81.03335	2.5
83.01263	3.5
85.02826	27.0
87.00742	13.1
89.02335	6.7
91.03884	1.7
93.03332	15.9
95.01266	7.7
95.04916	6.8
97.02848	1.8
97.14053	1.6
98.20532	2.1
99.00140	2.2
99.00746	12.9
101.02290	3.5
103.00300	2.6
105.03352	20.9
107.04938	1.7
109.02821	3.9
111.00766	5.3
113.02338	27.2
115.00246	1.9
115.03900	1.7
116.04975	13.3
117.01808	2.8
121.02836	7.5
123.04422	13.1
125.02306	2.0
129.01831	3.3
132.02045	4.5
133.02855	100.0
134.03534	5.8
134.06001	5.5
135.04393	6.9
137.02342	10.9
139.00287	2.4
139.03928	12.6
147.04486	3.2
148.05154	2.0
148.54221	1.9
149.02367	23.0
149.05992	5.2
150.03096	2.2
151.03934	3.9
153.01823	3.2
160.03943	4.5
161.02362	3.5
161.05962	3.5
163.03949	1.9
167.03348	1.8
173.04544	3.7
175.02475	3.8
175.03937	3.5
177.01846	24.5
177.05511	4.9
178.05035	7.5
179.03377	2.1
189.05518	4.2
191.05527	2.1
193.01656	1.7
193.03415	2.5
197.72452	1.7
205.12323	1.9
214.08344	1.4
231.04893	4.0
233.04520	3.0
233.06735	3.3
249.06131	63.5
250.06520	2.7
251.05594	14.8
253.07169	5.4
262.80280	1.6
267.07260	11.8
273.06232	2.5
291.07196	36.9
292.07666	1.7
297.09677	1.7
365.08771	6.3
409.07431	2.9
427.08597	25.8
428.12363	4.7
442.51385	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	425.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90066	1.1
59.01252	2.8
67.05389	2.3
71.04897	9.8
71.06049	1.3
71.13695	3.3
78.11951	1.4
78.95779	8.2
99.78044	1.4
113.81673	1.1
114.09145	1.6
130.08635	15.0
150.09225	1.2
152.99495	18.1
186.14941	7.4
212.12881	1.5
230.13957	100.0
231.14250	4.3
324.22189	1.4
348.35434	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01256	2.6
69.43328	1.2
69.43752	2.7
71.01256	5.9
72.99173	1.7
83.04901	1.0
93.41660	0.4
93.72842	0.4
98.20544	0.9
110.63648	0.4
115.00264	2.4
117.90538	0.4
163.11179	0.6
165.12764	0.9
167.10667	0.4
167.14355	1.1
171.10249	0.5
177.12849	0.6
179.14432	0.4
181.12276	0.9
183.13852	12.1
184.14166	0.9
193.12288	1.3
195.13844	23.3
196.14212	1.3
209.11841	1.3
211.13341	33.9
212.13725	2.3
213.14917	9.8
214.15295	0.6
223.13390	0.9
247.20685	0.8
291.19687	6.9
292.20053	0.8
307.19275	0.8
309.20715	12.7
310.21069	1.3
315.26999	3.3
333.28018	0.5
341.25064	0.9
353.90677	0.5
359.25894	2.6
360.26450	0.7
374.46664	0.4
377.26965	3.1
378.27194	0.5
392.47079	0.4
395.28156	0.7
407.28143	1.2
425.29120	100.0
426.29416	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37904	1.3
59.01254	100.0
71.01258	11.9
72.99181	2.0
89.64034	1.3
90.93208	1.7
115.00257	2.0
165.12714	1.6
181.12256	3.1
197.11749	1.6
209.11710	2.6
291.19745	11.6
307.18976	2.4
309.20734	46.3
310.21097	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	425.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00155	0.6
52.81546	0.7
53.72930	0.7
59.01254	100.0
60.01592	0.9
69.09791	0.7
70.16703	0.7
71.01270	2.8
71.35134	1.0
71.35484	1.1
100.01867	0.8
149.00824	0.7
171.91841	0.8
291.19733	5.6
292.20026	0.7
309.20718	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	425.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
71.57936	8.5
71.58373	5.5
73.09600	5.1
75.00739	8.1
77.51267	5.4
96.62472	5.3
111.14822	5.2
121.23165	5.3
130.65558	6.0
133.29808	6.0
139.55005	5.6
194.30537	5.6
291.19708	11.1
353.19452	12.5
365.14197	18.7
397.13214	8.4
425.17715	12.0
446.43042	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	425.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67327	0.8
59.01261	3.8
71.01259	38.4
71.57774	1.3
72.01580	0.8
72.99184	10.3
73.40195	0.9
80.86974	0.7
80.90498	0.6
90.93263	1.1
95.04863	0.7
97.06462	1.2
99.07957	0.8
100.53835	0.7
113.09576	1.1
115.00270	14.4
123.04426	0.6
125.05946	0.9
126.06779	0.7
128.84135	0.7
133.01329	7.7
141.09140	1.2
165.12794	3.5
167.14314	0.9
171.38435	0.8
181.12241	2.8
183.13815	0.8
184.55293	0.7
187.29128	0.7
193.12257	1.3
195.13876	1.3
205.13869	0.7
211.13396	2.4
221.15387	0.8
247.20676	3.9
273.18665	1.5
281.21054	0.7
283.38766	0.8
291.19711	22.7
292.20078	1.9
309.20724	100.0
310.21072	11.8
363.21875	1.2
387.56671	0.9
407.20801	2.9
407.59424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03503	0.7
56.68992	0.7
57.03321	0.7
59.01252	4.9
69.71446	4.7
71.01257	28.7
71.88107	0.6
72.99184	6.7
81.03298	0.6
90.93253	1.1
95.85687	0.7
96.99163	0.7
109.06475	0.9
111.08021	1.6
115.00260	5.1
127.07462	0.9
133.01314	1.0
133.10240	0.6
151.11241	0.8
153.12782	2.4
155.10660	1.0
165.12802	1.0
167.10701	1.4
179.14279	1.7
181.12268	2.1
197.11732	2.0
199.13289	0.8
209.11819	1.5
221.18558	0.6
227.12823	1.1
245.19151	0.8
247.20673	2.9
253.14386	0.8
273.18692	2.0
281.21170	1.3
289.18338	0.8
291.19675	23.4
292.20142	2.0
305.68121	0.7
307.19153	1.3
309.20728	100.0
310.21057	10.7
319.22928	1.1
396.24472	0.7
407.20786	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	425.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92811	0.7
55.01741	2.3
57.03330	5.7
58.64071	0.7
59.01252	17.8
68.99679	0.9
69.03338	1.7
69.08492	0.7
71.01254	34.8
71.49609	1.7
72.01541	0.8
72.99195	5.9
73.02831	5.3
73.08015	0.9
75.00750	42.9
76.34882	0.7
83.01244	4.2
85.02827	45.9
87.00751	13.3
89.02308	3.1
95.01264	5.6
97.02818	1.1
99.00763	13.9
99.58904	0.8
100.97514	0.8
101.02324	11.5
110.93671	0.9
111.00762	1.2
112.01527	2.1
113.02335	43.3
114.02645	0.8
115.00282	3.7
117.01839	1.7
129.01808	1.5
143.40517	0.8
157.01317	1.6
161.04466	3.4
175.02420	3.3
175.09656	1.1
240.77811	0.8
249.13356	5.2
297.65051	1.0
307.13943	1.5
425.16644	100.0
426.16980	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	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32676	1.4
78.95785	7.1
103.74202	0.4
110.98422	5.3
112.26566	0.3
152.99484	0.8
167.01060	3.8
185.02138	2.4
233.18149	0.4
242.91739	0.4
255.23289	100.0
256.23651	9.2
273.43710	0.3
298.56018	0.3
323.41125	0.4
400.09174	0.4
423.25272	6.2
424.25568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.252
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01808	0.3
68.72848	0.3
70.15155	1.1
77.78014	0.3
78.95781	13.3
86.52155	0.3
98.19796	0.3
104.97345	0.7
110.98418	9.7
152.99475	1.2
163.11096	0.4
166.99667	0.7
167.01062	10.9
168.01427	0.4
177.00734	0.3
185.02153	2.6
237.22209	0.3
255.23276	100.0
256.23630	8.3
276.00461	0.4
407.35748	0.3
423.25195	13.8
424.25369	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	423.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.7
57.03326	4.5
58.00453	1.1
59.01252	16.2
69.03335	1.0
69.76412	5.7
71.00842	1.1
71.01254	26.0
72.99194	5.2
73.02823	2.6
75.00748	31.3
78.95742	0.9
83.01248	4.2
84.02028	1.0
85.02821	29.6
87.00747	7.9
88.29643	0.9
89.02315	7.3
95.01253	3.0
96.87482	0.9
96.96880	2.1
98.20432	1.1
99.00758	11.0
101.02336	5.8
103.00288	1.1
106.60513	0.8
112.74073	0.8
113.02333	29.9
114.02663	1.4
115.00230	2.4
117.01801	2.5
119.03432	2.0
119.04917	1.7
129.01915	1.0
131.03424	1.0
161.04466	1.3
173.04445	2.5
173.34775	0.9
175.02321	4.0
230.68596	0.8
247.11967	1.3
261.62964	0.9
281.75214	0.9
403.36145	0.9
423.15063	100.0
424.15359	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	423.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36772	1.5
55.01755	2.1
57.03312	5.8
59.01254	22.9
69.03342	1.4
69.74097	8.5
69.74491	2.9
71.01257	37.8
72.99178	7.6
73.02795	4.9
73.39478	1.7
75.00751	43.4
78.27611	1.3
83.01247	3.5
85.02829	48.2
87.00751	13.2
89.02323	12.4
95.01270	6.1
96.96848	3.1
99.00766	14.4
101.02299	8.2
103.38278	1.4
113.02333	38.8
115.00214	4.2
117.01799	2.3
119.03379	3.7
124.42265	1.4
129.01826	1.9
131.03410	2.2
137.04919	1.5
140.68475	1.5
168.02466	1.5
173.04480	3.5
175.02383	3.6
176.54118	1.4
177.62459	1.3
177.95274	1.2
423.15091	100.0
424.15347	10.7
429.07602	1.7
433.81265	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	423.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84056	6.2
59.01240	37.8
70.87447	17.2
71.78800	6.6
82.53513	6.8
93.03351	10.6
124.88457	7.0
173.04469	61.9
201.94620	7.3
206.76665	6.9
233.06656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06221	4.7
59.01256	58.6
61.68369	5.0
61.98664	5.0
69.70315	28.7
75.18194	5.1
80.16231	4.4
81.98403	6.3
93.03346	13.0
93.78085	4.0
98.20542	6.1
103.26110	5.2
122.88544	5.1
138.81497	4.6
173.04465	70.3
174.04915	5.0
191.05547	14.0
233.06615	100.0
234.06891	7.1
271.64511	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	423.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
69.63438	11.9
69.63839	21.4
71.01258	7.5
77.68916	4.6
93.03329	15.6
105.49807	4.3
106.91240	5.4
107.21631	4.1
111.04443	6.5
119.04905	16.1
135.26387	4.6
138.14450	5.9
148.01537	6.2
153.05510	5.3
155.03439	10.0
163.03871	15.8
173.04471	58.0
191.05539	9.9
195.09843	5.0
215.05455	15.4
233.06586	36.0
402.93164	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	422.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	64.8
69.24689	58.8
69.25114	19.5
71.01253	17.5
73.02839	6.1
74.02337	22.2
75.00743	8.7
85.02816	9.2
86.02374	10.3
89.02302	7.6
93.03331	19.2
99.05502	15.2
119.03408	6.7
119.04939	10.0
127.07528	11.1
128.03458	61.1
135.04350	8.6
137.02335	8.4
143.04520	57.7
145.02858	10.5
146.92296	6.5
149.02330	15.1
150.03149	16.0
160.00639	11.2
163.03909	8.8
164.04590	9.7
165.05479	20.5
173.04498	20.3
179.04562	15.4
191.05540	15.7
195.06609	12.0
210.08815	8.5
215.05563	7.4
233.06511	21.0
254.07780	23.8
272.08878	27.9
288.06595	8.5
304.06210	9.8
306.07666	100.0
375.14474	13.2
389.88123	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	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82619	0.4
63.35961	0.5
66.94543	0.4
71.34557	1.3
78.95778	36.5
102.10481	0.4
104.16547	0.5
105.68308	0.5
110.98424	56.1
122.73726	0.5
152.99516	4.8
167.01097	1.3
185.02142	100.0
186.02478	2.5
187.38914	0.5
188.75691	0.5
253.21724	24.4
254.22047	2.6
421.23651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2598
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.22799	0.7
57.03316	2.2
59.01245	4.5
63.55629	0.7
65.03838	1.0
69.03331	2.4
70.35104	3.1
71.01244	1.1
71.04886	1.2
81.03329	1.7
83.04899	9.5
85.06461	2.9
95.04901	1.3
97.06477	4.3
105.06985	0.9
107.04921	0.8
109.06506	2.7
111.08014	3.8
112.56062	0.7
119.04906	1.0
123.08057	1.9
125.09615	11.7
127.11163	1.6
133.06503	1.1
133.51379	0.8
137.09634	2.4
147.39140	0.8
151.11224	0.9
163.11212	1.6
171.10182	25.3
183.47595	0.8
185.11725	1.4
187.14957	2.2
189.16512	1.2
195.61488	0.8
203.14317	1.6
205.15923	5.8
209.11790	2.7
211.13347	9.0
213.12473	0.8
213.14841	1.2
215.14418	2.3
219.10274	1.1
221.15414	3.0
231.13931	3.1
231.40660	0.7
233.15424	36.6
234.15764	4.1
235.13300	0.8
239.16533	1.1
247.13274	1.2
249.14951	16.6
250.15376	1.0
251.16534	2.6
257.17596	3.0
283.19342	1.2
323.23755	1.1
331.26315	2.2
336.37726	0.9
339.23053	1.1
341.24887	3.5
357.24347	1.4
359.25980	2.3
367.22754	2.0
375.25433	3.1
377.26880	3.3
385.23856	8.3
393.26404	2.9
403.24896	70.1
404.25256	11.0
421.25964	100.0
422.26331	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37804	0.8
61.72941	1.0
63.13898	1.0
78.15332	1.0
78.68932	1.0
78.95783	42.3
80.96379	1.4
99.18491	1.1
110.98422	58.1
144.63411	1.0
148.28999	0.9
152.99513	3.6
167.01093	13.5
171.30179	0.9
185.02155	100.0
186.02486	2.5
202.29865	0.9
212.78717	1.0
247.87013	1.1
253.21715	26.5
254.22032	1.8
263.25452	1.1
421.23639	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.5
71.01254	1.8
71.37049	1.2
75.08935	0.5
82.42718	0.4
89.02325	1.3
93.03318	0.5
101.02332	1.1
113.02326	0.7
119.04918	100.0
120.05258	3.4
151.04063	0.5
173.04408	0.7
178.09729	0.5
179.09309	5.1
192.85468	0.5
221.10367	1.6
233.12962	2.1
265.13126	1.9
275.15192	2.0
299.15121	8.9
300.15344	0.7
311.15210	2.1
317.16205	3.5
329.16260	0.8
341.16171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01583	1.2
71.01254	2.5
73.02826	1.1
83.01251	0.6
85.02841	1.1
89.02319	0.8
94.57640	0.4
97.85294	0.4
99.00771	0.5
101.02324	2.0
112.82614	0.4
113.02338	0.9
133.25673	0.4
161.04480	1.7
170.31087	0.4
185.11824	1.2
229.29008	0.5
240.04382	0.6
271.02515	0.7
299.02145	0.6
301.16699	1.1
318.05417	0.4
319.06592	0.5
319.17575	3.9
361.18677	2.3
421.11456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01583	1.2
71.01254	2.5
73.02826	1.1
83.01251	0.6
85.02841	1.1
89.02319	0.8
94.57640	0.4
97.85294	0.4
99.00771	0.5
101.02324	2.0
112.82614	0.4
113.02338	0.9
133.25673	0.4
161.04480	1.7
170.31087	0.4
185.11824	1.2
229.29008	0.5
240.04382	0.6
271.02515	0.7
299.02145	0.6
301.16699	1.1
318.05417	0.4
319.06592	0.5
319.17575	3.9
361.18677	2.3
421.11456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61263	10.2
57.01892	9.9
57.32972	9.2
59.01268	19.0
61.34930	12.0
69.75845	66.7
69.76247	24.3
108.02058	100.0
109.02362	22.4
109.15175	13.9
137.97369	10.2
148.04561	10.1
149.56567	11.9
152.01071	34.1
153.01698	33.7
157.11806	10.2
213.43021	11.3
213.84645	10.2
405.91653	11.0
421.10315	87.1
421.15445	81.9
422.09900	15.5
437.98364	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	419.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78132	37.0
63.81091	41.3
71.15737	100.0
80.96407	53.2
87.50297	37.1
151.33150	43.7
256.48642	51.3
345.24576	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02852	11.1
59.01254	7.1
65.65582	0.6
66.64029	0.6
67.59392	0.7
70.82249	2.4
71.01254	1.8
72.00777	3.7
72.99173	5.7
73.03938	7.4
75.00739	6.0
78.95777	20.1
82.06501	1.0
85.02841	2.1
87.53025	0.6
91.05427	4.2
96.96861	1.2
97.03927	1.1
98.02361	4.1
101.02345	1.3
103.00262	2.0
104.33370	0.7
108.08065	2.1
111.04269	0.8
115.05040	5.9
116.03435	1.5
118.06481	1.0
119.04813	0.7
126.09164	0.9
129.01895	0.8
129.09337	1.3
129.10234	14.3
130.99759	7.8
135.02943	0.6
137.02303	1.0
138.09232	0.7
139.08696	1.2
141.10207	1.5
143.11819	1.6
147.04422	19.3
148.04791	0.9
151.08669	2.3
152.07088	9.1
152.99480	3.8
155.08173	2.0
163.03775	0.9
164.07086	44.8
165.07385	1.1
168.11327	16.5
169.09769	2.3
171.00586	3.2
186.12416	31.3
186.34888	0.7
187.12727	1.3
196.09761	1.5
202.07277	0.8
210.12442	20.7
211.10902	4.4
211.12657	1.5
228.13409	3.9
233.16576	10.0
267.27029	0.8
277.15598	5.9
290.18726	9.5
291.19083	1.2
332.19855	5.8
376.18771	100.0
377.19107	9.8
402.20923	1.2
420.17618	5.3
420.21716	7.9
421.22034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33344	0.3
59.01255	100.0
60.01597	0.5
71.01250	2.6
72.99214	0.4
78.21128	0.3
85.02862	0.5
89.02316	3.0
90.43246	0.4
97.06451	1.7
99.08022	0.5
101.02357	1.4
109.06554	0.3
113.02355	1.3
119.03399	1.1
122.36237	0.3
125.02361	0.4
131.03404	0.5
147.73010	0.3
153.12770	18.8
154.13141	1.0
161.04533	0.4
179.05621	1.0
179.10701	5.9
179.43808	0.4
197.11783	37.9
198.12164	2.8
315.07132	0.4
340.52304	0.3
401.25525	0.8
419.26825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43483	28.1
59.01252	45.7
71.06292	63.1
71.06648	51.1
74.76991	32.1
115.39187	28.1
116.62770	29.1
171.65906	29.8
176.79460	26.6
187.79352	28.7
205.76328	30.4
224.21017	27.5
343.13055	34.0
345.24292	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	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74112	0.7
57.03317	2.2
59.01252	100.0
60.01601	1.2
69.03319	3.6
71.01256	14.3
71.13052	1.1
71.13403	1.6
72.99178	1.9
73.02814	3.5
74.02356	1.2
75.00748	2.4
83.01260	0.9
83.04863	1.0
85.02819	7.8
87.00755	3.0
89.02325	12.4
93.03334	1.0
95.01251	2.0
95.04906	2.2
96.84234	0.7
97.02854	1.8
98.02370	1.5
99.00761	2.5
99.04401	1.9
99.05521	1.5
101.02323	10.3
105.01810	0.9
108.02051	2.8
109.02841	1.3
111.04371	1.2
113.02343	9.6
115.00270	1.0
119.03369	4.0
123.04408	2.2
125.02377	1.2
125.05914	0.9
128.03467	6.7
129.01845	0.8
131.03391	2.5
135.02869	0.9
135.08043	1.2
139.07512	0.9
143.03455	1.6
143.04512	5.5
145.06291	0.8
147.04475	0.9
151.07664	0.9
152.01079	1.1
159.02852	0.9
160.00548	0.9
161.04475	8.3
171.07603	1.1
177.09126	4.5
178.02708	0.8
179.05547	2.3
179.07040	3.0
181.08627	0.8
185.00826	1.8
185.08090	1.0
189.06833	1.1
193.70653	0.7
203.01907	2.3
203.09166	0.8
208.62590	0.8
210.08983	1.2
233.10298	9.7
239.09274	4.3
239.12842	1.4
254.07738	1.1
272.08792	3.2
290.14212	0.7
299.10583	1.2
306.07526	3.2
350.79654	0.8
353.25961	0.8
359.17111	11.7
360.17249	1.6
401.12155	1.2
419.11423	1.8
419.19577	1.4
420.08896	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	418.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.6
67.41885	1.2
71.00895	1.8
71.01260	19.0
71.07270	2.0
78.95801	5.8
82.61550	1.0
87.77924	1.1
101.22595	1.1
140.07072	30.9
152.99513	10.0
158.08162	7.3
251.20181	1.1
277.21729	100.0
278.22095	9.3
418.26736	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	419.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.4
59.01257	10.9
60.33102	0.8
66.47718	0.8
71.01254	7.2
71.58183	1.1
73.02804	2.7
74.26445	1.1
75.00753	1.8
81.03340	1.3
83.01252	2.0
85.02827	3.5
89.02317	2.1
93.03321	1.7
97.02847	1.0
99.00755	1.4
101.02296	3.8
102.02637	1.1
108.02056	100.0
109.02869	15.5
111.00803	0.9
113.02306	3.3
119.04932	10.6
121.02875	5.4
123.00736	1.2
123.04352	1.4
124.01520	1.0
125.02325	1.1
132.02042	1.2
133.02852	1.4
134.03593	2.2
135.02838	1.0
135.04395	1.8
136.01497	1.0
136.96794	0.9
137.02354	8.8
137.94278	0.9
139.00244	1.6
145.02899	6.4
147.04443	5.3
151.00232	1.3
151.03905	9.8
152.01057	53.3
152.04633	1.8
153.01855	21.6
160.01553	4.2
161.02251	1.5
161.04465	1.2
162.03108	1.0
163.03897	15.2
164.04294	1.0
165.01839	3.1
166.02658	1.5
166.06210	1.2
167.03352	1.4
173.02362	2.5
174.03178	5.8
175.03928	33.8
176.04700	11.6
177.05412	3.6
178.02730	1.4
179.03337	2.8
180.04211	13.7
181.04926	2.6
188.04720	6.4
188.67799	0.9
189.05489	10.1
190.06285	31.6
191.03467	1.2
191.07060	24.1
192.04176	2.1
192.07433	1.3
193.04979	15.3
194.05772	10.3
203.07063	4.2
205.08643	22.0
206.08984	1.9
207.06587	7.8
208.07346	10.7
222.08809	1.8
223.09650	1.2
301.10669	1.0
329.09900	1.2
337.09332	1.1
359.11353	2.0
374.13620	4.5
389.16074	93.9
390.16367	13.4
419.09787	51.5
419.22501	1.9
420.10007	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	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73710	0.4
55.01764	5.4
57.03327	5.6
58.00476	2.9
59.01251	49.7
60.01583	0.6
60.93008	0.4
63.96112	1.0
68.99709	0.6
69.03328	1.1
71.01254	100.0
71.57801	0.7
72.01592	1.3
72.99194	3.3
73.02821	25.7
75.00743	3.1
81.03332	0.8
81.27715	0.5
83.01257	10.7
84.02054	0.9
85.02823	37.8
86.03149	0.5
87.00751	4.0
87.04388	2.9
89.02316	27.4
93.03336	0.5
95.01262	7.9
95.01837	0.8
97.02811	2.1
99.00755	12.4
101.02322	53.2
102.02692	1.4
103.30520	0.4
111.00761	0.9
113.02328	37.3
114.02674	0.8
114.03545	0.5
119.03385	12.0
122.23306	0.4
125.02315	2.3
126.79039	0.6
128.03380	0.6
129.01851	1.6
131.03384	0.8
137.02348	0.7
139.00290	0.5
143.03424	4.2
143.04462	0.8
149.04515	0.7
151.00204	0.5
159.02901	7.4
161.04462	38.5
162.04877	1.0
165.03972	1.5
166.02638	1.1
169.12279	0.5
177.00911	1.1
179.05574	1.9
181.05025	1.1
205.03500	1.3
227.03439	12.8
228.03848	1.5
229.05003	0.7
255.02957	16.1
255.16447	0.5
255.19681	1.6
256.03470	2.0
269.13968	2.0
271.02631	0.7
284.03241	13.6
285.03986	10.6
286.04468	0.9
297.20798	0.6
343.21414	0.6
380.09158	1.1
381.09705	0.8
399.24268	0.5
417.08328	9.9
417.20920	6.7
417.25131	15.5
418.08719	1.9
418.21045	0.8
418.25568	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	417.2495
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
53.64180	0.6
55.01753	5.9
57.03327	5.3
58.00462	3.1
59.01252	72.8
69.03326	0.9
69.28826	6.4
71.01254	100.0
72.01583	1.4
72.99191	5.6
73.02820	24.1
73.80077	0.7
75.00746	2.7
81.03337	0.8
83.01263	11.8
85.02827	39.2
85.99996	0.9
87.00734	4.1
87.04403	2.2
89.02318	36.0
90.02679	1.1
95.01260	7.8
97.02858	2.3
98.20551	1.5
99.00761	11.2
99.01348	1.0
101.02324	63.9
102.02654	1.1
111.00848	0.6
113.02334	40.3
114.02671	1.5
119.03394	15.5
125.02342	2.3
127.82052	0.6
129.01836	1.8
131.03404	1.6
137.02342	0.9
142.39084	0.8
143.03432	5.0
149.04453	1.3
159.02919	8.2
161.04472	40.3
162.04832	0.7
179.05551	2.6
179.06990	0.8
185.11845	0.7
189.86540	0.6
195.08020	1.2
205.03496	1.3
207.06294	0.6
211.13362	0.8
227.03522	2.2
240.42694	0.7
255.02934	3.1
255.19678	2.8
284.03384	2.7
285.04047	2.2
392.15387	0.6
417.08386	2.0
417.25037	29.3
418.25305	2.8
443.04233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2496
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
52.84081	0.5
55.01764	4.0
57.03339	3.9
58.00477	5.2
59.01254	92.0
60.01597	0.7
69.03342	0.8
69.25800	0.5
71.01257	100.0
71.57569	0.7
72.01601	1.4
72.99189	7.6
73.02822	19.7
75.00759	1.6
83.01264	10.3
83.04885	0.5
84.02049	0.5
85.02828	31.9
86.03177	0.6
87.00750	5.1
89.02324	66.2
90.02683	1.0
90.65263	0.6
91.03843	0.5
95.01270	8.1
97.02845	1.3
99.00758	7.4
101.02328	68.4
102.02653	1.5
111.00774	0.7
112.81493	0.5
113.02338	38.6
114.02702	0.9
115.45358	0.5
116.95725	0.5
119.03397	29.2
120.03719	0.9
125.02330	1.7
129.01805	1.1
131.03398	3.2
141.09142	0.9
143.03409	5.8
149.04462	2.4
159.02928	4.7
161.04480	22.7
171.10162	0.7
179.05527	7.5
193.12291	0.9
205.03554	0.7
209.15401	1.2
225.14749	0.6
255.02792	1.1
255.19635	7.8
256.19940	0.6
284.03342	1.0
328.56116	0.5
343.21335	0.5
343.24887	4.2
417.07971	0.8
417.24966	14.9
418.25272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	96.7
71.01282	31.7
71.57559	58.1
78.95803	76.4
114.76672	33.7
142.59386	39.8
166.99434	41.2
179.16124	40.4
181.05089	44.9
227.03481	64.4
255.02969	100.0
284.03253	84.4
390.33362	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62661	0.3
59.01254	100.0
60.01584	1.0
69.22581	3.9
69.22993	1.0
71.01272	1.0
85.02827	0.6
85.11705	0.4
113.02341	0.5
167.10774	0.6
211.13399	0.4
242.10538	0.4
249.06114	0.5
318.91754	0.4
352.47946	0.4
403.56219	0.5
417.17209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Maryal
Peak:m/z	Relative Intensity
55.01752	1.9
57.03321	1.9
58.00473	1.0
59.01258	20.2
62.18165	0.5
71.01257	32.8
72.99183	2.3
73.02830	10.2
75.00754	1.4
75.02274	0.6
83.01257	5.1
83.04894	0.7
85.02826	15.1
85.06470	1.2
85.99984	1.4
87.00761	6.0
89.02315	5.6
95.01276	2.6
99.00768	4.5
101.02328	21.3
111.04339	1.0
113.02338	11.1
113.05909	0.6
114.06766	1.0
115.07508	0.8
119.03416	2.4
121.02854	1.4
125.09650	1.4
129.01828	0.8
129.09148	1.0
141.09100	3.1
143.03491	0.7
143.10648	2.1
159.02898	1.5
161.04449	4.7
193.15932	2.2
211.16971	1.3
215.12894	1.3
237.14873	0.6
251.81883	0.6
255.02977	1.6
255.15981	4.6
269.77359	0.7
284.03296	1.1
285.04010	0.9
305.15964	0.8
343.24033	1.4
417.21307	100.0
418.21686	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	417.205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30177	20.2
57.18043	27.2
59.01241	35.2
61.37048	19.2
78.58912	19.3
78.95752	100.0
102.82191	19.6
168.42984	20.7
224.79083	21.5
328.55524	21.2
377.95081	25.1
417.22977	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05096	29.8
59.01249	47.9
70.84924	55.0
78.56197	27.4
78.95780	100.0
80.80022	29.5
92.03138	27.7
197.99344	31.5
232.00024	31.2
232.24921	27.7
255.02965	39.9
285.03946	40.8
292.90314	29.1
352.36673	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
58.00483	1.4
59.01254	100.0
59.51822	0.9
66.12857	0.7
69.70353	5.1
71.01254	31.7
72.99183	3.1
73.02824	3.8
75.00754	2.1
83.01268	2.3
85.02831	8.3
87.00774	2.0
89.02320	25.4
93.03317	1.1
95.01263	2.6
97.02857	1.3
98.20528	1.2
99.00776	1.7
101.02334	17.7
109.02867	0.9
113.02332	13.5
119.03387	13.1
125.02312	1.5
131.03403	1.2
137.02324	1.3
143.03415	3.7
149.04500	1.2
161.04477	19.5
173.04492	2.4
175.02441	1.1
177.09181	4.6
179.05540	6.5
181.04933	1.4
191.05556	2.0
195.06624	0.9
195.10283	2.2
202.05022	2.1
318.42032	0.8
353.30368	0.7
357.15524	21.5
358.15884	2.4
417.17581	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
58.00483	1.4
59.01254	100.0
59.51822	0.9
66.12857	0.7
69.70353	5.1
71.01254	31.7
72.99183	3.1
73.02824	3.8
75.00754	2.1
83.01268	2.3
85.02831	8.3
87.00774	2.0
89.02320	25.4
93.03317	1.1
95.01263	2.6
97.02857	1.3
98.20528	1.2
99.00776	1.7
101.02334	17.7
109.02867	0.9
113.02332	13.5
119.03387	13.1
125.02312	1.5
131.03403	1.2
137.02324	1.3
143.03415	3.7
149.04500	1.2
161.04477	19.5
173.04492	2.4
175.02441	1.1
177.09181	4.6
179.05540	6.5
181.04933	1.4
191.05556	2.0
195.06624	0.9
195.10283	2.2
202.05022	2.1
318.42032	0.8
353.30368	0.7
357.15524	21.5
358.15884	2.4
417.17581	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.85784	45.8
71.01254	37.4
72.99202	14.9
73.02820	14.8
75.00746	11.4
79.02290	8.1
83.04859	9.6
85.02824	15.7
99.00793	22.7
101.02334	11.7
101.14983	8.7
112.98731	13.5
113.02355	17.7
115.00278	12.7
133.72536	8.6
142.99699	25.6
151.00294	10.0
153.04738	9.3
153.06143	8.4
173.00845	21.3
174.01620	44.4
193.12141	16.3
211.13396	33.8
227.03352	21.7
239.12791	12.9
255.02945	30.9
265.10867	10.8
267.07144	16.6
267.12366	11.6
284.03226	31.9
285.03860	13.8
367.13986	41.7
376.43994	9.7
417.08231	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.0
57.03332	1.5
59.01251	100.0
60.01603	0.8
69.67576	0.6
71.01255	27.6
72.99191	2.6
73.02809	10.2
74.02361	1.3
75.00756	2.8
79.08332	0.6
83.01265	3.3
85.02824	13.5
87.00768	1.6
89.02316	5.2
93.03354	2.7
95.01283	2.3
97.02866	0.7
99.00755	4.1
101.02325	20.6
102.05512	1.0
105.01818	1.2
109.02822	1.0
110.02393	1.7
113.02329	13.8
113.03060	1.0
119.03377	0.9
124.15401	0.7
125.02356	2.0
126.20921	0.7
126.78113	0.6
128.03419	5.5
131.05016	0.7
135.21024	0.7
137.02330	5.8
139.07538	5.6
143.03436	2.1
146.04520	0.9
150.70854	0.6
151.00279	1.1
151.03873	0.8
152.99557	0.7
159.02914	3.7
161.04466	34.9
162.04872	1.3
163.03958	1.0
165.01834	0.8
165.09166	3.0
166.02654	2.7
171.10301	1.1
173.04527	1.3
177.02081	0.7
181.04980	5.2
181.08607	1.1
191.05556	0.7
200.06018	0.7
202.05096	1.6
205.03593	1.4
227.03477	0.7
233.06720	2.3
255.02946	1.5
258.95416	0.6
285.03961	1.3
289.12387	0.9
357.15549	15.8
358.16071	1.7
374.18289	1.1
394.23764	0.7
400.09195	0.8
402.13312	0.8
415.37888	0.8
417.09131	1.1
417.17102	4.1
418.16693	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.083
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
63.90074	0.7
69.52947	2.4
69.53373	3.0
73.24191	0.6
107.01274	1.8
132.02094	0.9
137.02457	0.6
149.45833	0.6
149.60864	0.6
151.00278	1.4
159.04448	0.8
163.00333	1.3
167.04918	0.8
183.04517	1.9
185.06000	1.4
187.03966	1.8
199.03963	1.0
211.03944	3.4
213.05455	1.5
227.03465	76.0
228.03827	5.0
229.05122	4.7
239.03416	1.9
241.04951	1.2
255.02989	100.0
256.03500	12.2
257.04517	2.5
267.02869	0.9
284.03278	84.8
285.04022	76.8
286.04437	5.8
327.05112	0.9
417.08295	70.0
418.08591	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.083
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43518	3.0
69.43923	1.0
107.01302	0.8
140.52434	0.4
144.50244	0.4
151.00273	1.4
163.00369	0.7
183.04442	1.9
187.03888	0.5
199.03755	0.5
210.32198	0.4
211.03918	1.9
227.03450	78.4
228.03781	5.5
229.05043	1.5
239.03497	0.6
255.02971	100.0
256.03546	14.2
257.04462	1.3
284.03262	83.3
285.03973	30.6
286.04431	1.8
327.05173	1.0
417.08258	83.4
418.08575	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	415.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.3
60.01606	0.5
69.03320	1.9
69.05023	0.5
71.01257	4.2
71.40813	0.5
71.57527	0.6
71.57899	0.7
73.02821	1.3
74.38994	0.4
78.95803	0.6
81.03342	0.7
83.01237	0.5
83.04903	1.3
84.02043	5.8
85.02818	1.1
87.00755	0.8
89.02329	4.4
91.03888	11.0
92.04226	0.5
97.02832	2.4
97.06473	8.3
99.00716	0.7
99.04378	1.6
101.02330	1.9
109.06429	0.5
111.08067	0.6
113.02336	1.1
119.03423	0.4
119.08546	0.9
121.10147	0.5
125.09598	1.4
127.11166	0.8
130.08543	0.6
135.08031	0.7
137.09598	1.2
149.13258	0.7
161.04491	1.2
165.12796	0.6
171.10190	18.9
172.10588	1.1
175.11217	0.8
183.13699	1.1
185.11790	0.9
191.10834	0.7
193.12277	10.0
211.13382	3.3
221.11713	0.9
225.14917	14.3
226.15303	1.3
243.16010	5.4
244.04982	0.5
246.97574	0.5
253.14366	1.4
291.19717	1.3
309.05219	0.5
324.31110	0.5
341.23322	100.0
342.23660	9.3
347.88565	0.5
415.23193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63298	0.4
54.30912	0.5
57.03315	0.7
57.92166	0.4
59.01247	6.1
69.03326	1.9
71.01265	2.9
71.57420	0.9
72.99176	0.6
78.95792	0.6
81.03333	0.6
83.04897	1.3
84.02036	3.0
85.02828	0.9
87.00743	0.9
89.02312	3.4
91.03889	8.5
95.04901	0.6
97.02827	0.8
97.06469	10.6
99.00776	0.6
99.04393	1.7
101.02302	1.3
104.64357	0.6
111.08082	0.7
119.08547	0.8
125.09608	1.3
137.09647	1.1
149.13297	0.5
151.11229	0.8
153.09137	0.7
154.32706	0.5
165.12712	1.0
167.14432	0.5
171.10181	12.6
172.10631	0.8
175.11276	1.1
177.12790	0.9
183.13829	0.8
185.11758	1.0
193.12288	13.4
194.12636	0.7
197.15399	1.0
211.13393	2.7
221.11812	1.1
225.14912	16.7
226.15257	1.1
243.15956	7.3
253.14511	1.1
291.19650	1.5
326.03024	0.5
341.23318	100.0
342.23694	9.8
375.51498	0.4
415.10187	0.5
415.23471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91615	0.3
59.01240	0.8
61.93563	0.4
71.57645	0.6
74.98985	6.6
77.00543	77.3
78.00867	0.5
95.71804	0.4
97.28468	0.4
99.04415	0.5
109.80247	0.4
132.43544	0.4
135.34386	0.4
147.08070	2.2
149.09637	1.4
161.09645	1.4
163.11165	3.3
171.86922	0.4
187.09807	0.4
187.11201	2.6
208.10884	0.6
257.92294	0.5
265.12317	0.6
279.13785	0.9
280.14789	1.0
307.17072	0.9
309.22229	1.9
337.21750	100.0
338.22092	14.1
415.23166	10.4
416.23508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1977
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01759	1.1
55.32993	0.5
57.03337	1.8
58.00474	1.4
59.01255	100.0
60.01576	1.2
65.00201	1.2
68.99684	0.7
69.03340	0.8
71.01259	41.3
72.01582	0.5
72.99191	2.8
73.02824	27.9
75.00768	1.0
83.01257	11.7
83.01712	0.8
85.02831	6.6
87.00751	3.6
89.02322	20.7
95.01281	2.3
97.02863	0.7
99.00773	1.1
99.68946	0.4
101.02328	30.4
102.02683	0.7
107.01290	1.4
109.02857	0.8
113.02340	11.0
113.03062	0.8
114.02688	0.5
119.03413	8.3
121.02847	4.2
125.02342	5.9
131.03418	2.4
135.61116	0.5
137.02364	0.9
143.03433	2.4
149.04506	1.1
151.00281	5.2
153.01859	1.3
155.03485	1.2
161.04494	4.2
161.05772	0.6
169.01349	0.9
179.05533	2.5
185.07227	0.9
189.05682	0.6
193.12366	1.2
262.08420	0.7
300.02780	1.0
373.18924	1.8
397.09521	0.6
415.10568	0.7
415.19647	9.2
415.24490	0.6
416.20197	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
70.90268	21.6
70.90603	9.8
94.69098	9.0
161.28786	8.5
180.83720	8.9
187.70610	9.7
240.92743	9.3
267.05157	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	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78107	7.0
59.01257	100.0
63.53954	6.4
68.83144	6.7
69.29195	76.2
125.40260	6.8
128.93597	6.7
169.11566	6.1
223.28052	6.3
253.17831	7.6
367.03647	7.3
413.30798	11.2
415.16995	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	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01600	1.2
66.38841	0.3
69.59881	2.0
69.60289	0.7
71.01260	3.8
73.02834	1.4
83.01262	0.5
85.02845	1.5
89.02334	1.2
98.20591	0.4
101.02333	1.9
113.02336	1.8
119.03463	0.5
130.46573	0.3
148.44424	0.3
153.31467	0.4
161.04492	0.9
177.18106	0.3
178.72549	0.3
186.40337	0.3
209.15649	0.5
307.49426	0.3
330.60745	0.4
340.59009	0.4
353.19699	1.4
371.20764	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	413.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.5
66.03396	0.8
69.94019	0.7
71.01253	1.7
71.57793	1.0
75.00759	1.2
76.55051	0.8
76.64117	0.8
77.59305	0.8
78.95744	0.8
82.02857	2.1
83.02396	1.3
84.00768	1.1
84.04399	2.4
85.02829	1.0
85.03958	3.8
91.05448	1.1
101.02325	1.6
101.07083	1.6
101.15087	0.8
102.05501	4.7
105.01808	8.3
110.02365	2.2
111.05547	1.6
112.02631	0.9
113.03453	8.5
116.04967	3.9
117.03384	1.2
123.05531	2.8
124.02715	1.2
125.02287	1.5
127.05045	1.6
128.04961	1.1
132.08054	2.2
137.05939	1.1
141.06613	100.0
142.06906	2.0
153.10245	5.0
154.06140	2.8
167.03389	1.7
167.04547	5.5
167.11783	1.1
175.08661	1.0
180.11392	2.3
186.07932	1.3
200.05856	1.0
203.08186	3.5
213.06648	1.5
214.07440	21.8
214.12122	0.8
215.08203	11.9
217.09785	1.9
228.09027	1.0
243.15007	6.2
245.08139	3.6
246.12469	5.7
254.15108	2.8
255.15251	0.9
256.12231	1.2
259.11057	2.0
271.14536	34.1
272.14807	2.9
288.65176	1.2
295.13300	1.5
296.14020	0.9
310.15567	1.8
315.08725	4.7
339.18256	3.4
339.21902	1.0
354.20541	1.5
369.22906	8.7
370.23248	1.0
413.16595	1.2
413.21918	29.6
414.22275	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
55.20510	0.2
57.03083	0.2
57.03315	0.8
59.01254	100.0
60.01591	0.9
69.03344	0.3
70.97387	0.4
71.01257	7.3
72.99203	0.3
73.02825	2.3
75.00733	0.2
83.01261	1.3
85.02824	3.7
85.03282	0.2
87.00781	0.6
89.02309	1.4
95.01293	0.4
97.02814	0.3
99.00748	1.1
101.02332	5.0
105.82539	0.2
113.02335	3.4
119.03403	0.4
120.03427	0.1
121.02789	0.2
125.02371	0.4
137.09615	0.3
140.91525	0.2
143.03424	0.4
159.02913	0.5
161.04482	2.9
167.81184	0.2
194.72231	0.1
209.15382	1.7
249.39212	0.2
315.25507	0.1
353.19678	1.7
354.20020	0.2
371.20734	8.5
372.21118	0.5
413.22000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1302
Annotation	Flecainide
Peak:m/z	Relative Intensity
51.53151	0.3
55.01762	1.8
55.19476	0.2
57.03327	5.3
58.00464	0.6
59.01253	13.5
67.01780	0.5
67.92732	0.3
68.99693	0.9
69.03318	1.0
69.91578	0.3
69.91891	1.7
71.01256	31.7
72.01609	0.5
72.99183	5.9
73.02442	0.5
73.02821	7.1
75.00748	34.8
83.01263	4.7
84.02048	0.7
85.02826	41.8
86.03179	1.2
87.00753	9.4
89.02323	4.0
95.01259	4.9
97.02827	1.0
99.00758	12.8
101.02324	13.3
102.02663	0.5
103.00236	0.8
104.60277	0.3
111.00742	1.1
112.01540	0.8
113.02334	36.2
114.02663	1.1
115.00269	4.2
117.01833	2.1
125.02350	0.7
129.01863	1.5
130.99780	0.3
131.03380	1.0
133.01329	0.3
139.00256	0.3
143.03404	0.6
157.01289	1.3
159.02882	1.1
161.04482	4.5
173.04498	0.9
175.02394	3.6
190.79172	0.3
237.09782	4.4
295.10339	0.9
326.23019	0.3
353.10898	1.0
395.11801	0.6
413.13000	100.0
414.13330	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.8
63.02815	1.3
66.03626	1.2
71.58244	2.1
72.99181	3.5
74.99837	1.3
86.69136	1.3
89.02325	2.2
91.03847	1.9
97.06445	7.6
125.05986	15.6
143.07040	55.8
144.07422	1.7
151.11197	17.8
152.18393	1.5
153.10199	1.4
169.12262	100.0
170.12576	4.3
195.10216	3.5
197.70837	1.5
213.11270	14.3
271.94357	1.4
287.15015	61.5
288.15396	5.0
295.32947	1.6
343.40610	1.8
413.21722	4.2
425.58887	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.8
57.03320	3.0
59.01251	23.7
62.11304	0.8
67.01762	1.0
69.03343	1.4
69.67794	5.1
71.01254	21.0
71.28146	0.8
72.99176	4.4
73.02827	1.4
75.00750	15.2
83.01260	1.1
85.02831	22.0
87.00755	7.7
89.02323	5.5
91.03918	0.8
92.64245	0.9
93.03349	4.2
95.01264	6.3
98.20582	0.9
99.00768	7.4
103.00259	1.7
109.02898	1.3
111.04395	0.9
113.02338	32.7
115.00240	1.8
117.01809	3.6
117.03367	3.3
119.04922	38.0
120.05268	1.6
121.02853	8.7
127.46104	1.0
129.01804	1.5
131.03284	0.8
135.04424	2.6
137.02373	2.4
145.02859	19.9
155.03473	1.0
161.02394	1.2
163.03938	34.6
164.04285	1.8
173.04468	4.4
175.02383	2.6
179.03447	2.3
197.04475	3.8
207.05200	1.3
231.05008	1.1
233.06667	2.8
237.07651	3.1
249.06139	22.9
250.06425	1.5
267.07217	100.0
268.07547	3.5
346.18820	0.8
351.10721	1.0
413.10904	37.9
414.11270	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.9
57.03330	2.2
58.00481	0.9
59.01255	21.0
67.01762	0.6
68.99698	1.9
69.03337	1.3
69.63599	0.9
69.64002	3.1
71.01257	21.7
72.99193	5.3
73.02834	1.5
75.00754	14.2
81.03345	0.5
83.01266	1.0
85.02827	22.1
87.00755	8.5
89.02325	6.5
91.03894	1.3
93.03345	2.4
95.01268	4.7
95.01774	0.6
99.00764	9.6
101.02346	0.8
103.00236	2.6
107.04894	0.9
109.02878	0.5
111.04436	0.8
113.02338	26.9
115.00278	1.9
117.01856	2.3
117.03345	4.8
119.04925	41.0
120.05264	1.4
121.02867	4.9
122.03149	0.5
123.36066	0.4
128.38536	0.5
129.01846	1.8
134.13643	0.4
135.04439	2.0
137.02283	0.5
145.02864	19.3
145.78732	0.5
146.03201	0.6
157.01349	1.0
163.03931	32.2
164.04269	1.3
168.46309	0.4
173.04507	1.8
175.02393	2.1
179.03433	1.1
188.40700	0.4
197.04500	2.4
205.07124	0.5
207.05112	1.7
231.05052	1.1
233.06700	2.3
237.07674	3.4
249.06155	22.6
250.06514	1.6
267.07224	100.0
268.07574	4.6
351.10852	1.4
395.10068	0.5
413.10883	42.9
414.11182	5.2
424.88010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14872	6.8
59.01252	100.0
60.76692	7.6
78.95766	43.6
79.26483	8.1
89.16949	6.9
95.66901	7.1
152.99486	20.8
195.32628	8.0
249.43045	7.9
255.23404	11.1
333.10519	8.9
378.90543	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	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.5
58.30498	1.1
59.01249	22.4
60.76389	1.4
66.88468	1.3
67.01751	1.1
69.03302	1.5
69.67493	4.4
69.67924	4.2
71.01260	22.9
72.99172	6.3
73.02815	2.4
75.00744	18.6
76.68635	1.2
77.59881	1.3
78.23154	1.1
78.95788	1.9
83.01232	1.1
84.94232	1.1
85.02821	20.4
87.00766	8.8
89.02338	6.3
93.03366	2.0
95.01260	5.0
99.00745	8.5
103.00269	1.7
113.02332	23.5
117.03333	4.2
119.04918	39.4
121.02860	5.8
125.38204	1.1
129.01846	1.9
135.04445	2.9
137.02333	1.6
145.02864	17.8
163.03928	33.3
173.04404	4.2
176.01169	1.3
179.03328	1.3
197.04544	2.9
209.04529	1.5
219.89909	1.2
231.04970	1.5
233.06506	3.4
237.07625	3.2
249.06126	23.6
267.07208	100.0
268.07565	3.5
292.68964	1.3
312.59512	1.4
351.10977	1.2
353.08917	1.7
357.68179	1.1
413.10907	29.8
414.11191	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68416	0.9
59.01243	3.0
66.29977	0.9
69.02137	0.9
71.01272	0.9
71.58270	1.4
75.00744	7.4
78.95780	1.1
87.00743	1.2
89.02332	1.0
93.03349	1.8
111.08074	1.0
117.01802	2.5
117.23560	0.9
121.10144	2.0
135.02911	9.8
171.10176	4.7
195.13875	6.7
199.38091	0.8
211.13383	1.2
223.13318	6.4
226.70227	0.9
228.13678	1.0
256.13132	1.9
275.20151	12.3
282.16928	0.9
293.21268	100.0
294.21667	7.9
319.22937	1.7
337.14749	1.2
345.20081	1.1
411.24045	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05254	3.6
53.46670	3.4
59.01255	100.0
65.18804	3.0
65.95250	3.2
66.28310	3.4
71.37754	7.3
78.95802	8.3
84.05405	3.2
105.25059	3.6
131.38556	3.6
152.99501	4.3
171.34840	3.2
185.85687	3.5
224.19524	3.5
250.20757	2.9
391.33969	3.9
423.91766	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	411.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	10.8
69.60336	7.6
71.01269	3.5
72.99166	2.5
75.00748	41.3
75.35101	1.2
89.02329	5.8
99.00800	1.2
135.02904	41.9
171.10260	1.4
188.15532	1.1
195.13864	6.0
205.12437	1.2
207.86504	1.1
223.13359	6.5
275.20184	6.7
293.21228	100.0
294.21631	8.3
411.27866	1.3
420.24365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81796	0.4
57.03306	0.5
59.01258	1.8
63.05102	0.3
64.83857	0.4
69.03288	0.4
71.01241	0.6
71.57395	0.4
75.00768	0.5
87.00764	0.4
111.08026	0.7
117.01842	1.0
135.02902	1.6
137.12875	0.5
171.10210	1.2
179.10806	0.6
179.14301	1.0
195.13840	8.4
196.14441	0.7
205.12346	0.5
205.16045	0.4
211.13335	0.9
223.13379	7.9
224.13687	1.0
225.14597	0.4
228.13612	0.7
231.21109	0.7
256.13132	2.2
265.21835	0.4
272.57300	0.4
275.20184	7.2
293.21246	100.0
294.21582	10.2
411.23816	4.9
412.24194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1661
Annotation	Yadanziolide S
Peak:m/z	Relative Intensity
50.30686	2.3
55.01754	7.2
57.03337	2.2
59.01243	9.8
71.01250	13.3
71.16808	2.0
72.99206	5.5
73.68563	2.5
81.03342	4.0
83.01258	10.8
85.02827	2.9
87.00765	3.4
87.75407	1.9
93.71449	2.2
95.04886	3.1
97.06483	3.7
99.00764	7.2
101.02332	3.2
107.04914	2.3
109.06430	2.9
109.99913	2.2
115.00204	2.6
119.04926	7.7
121.64559	2.2
124.01547	2.6
124.98712	8.8
140.98146	2.7
142.99788	22.7
151.00323	3.4
152.01083	4.5
154.99774	71.8
170.51984	1.9
172.00108	3.6
173.00838	100.0
177.12762	5.8
178.99838	2.9
189.12778	2.9
192.59415	2.3
193.01361	2.8
205.12260	3.9
225.55054	2.0
233.15410	12.2
237.14932	4.4
249.14999	4.3
261.14932	5.3
265.14505	5.0
265.17981	6.2
277.14709	3.8
293.14182	4.2
293.17584	9.9
313.07138	4.6
321.17142	3.1
337.12979	14.8
337.16525	4.3
337.20078	3.3
349.16519	12.6
353.06750	6.2
367.12097	2.2
367.17654	5.7
381.15460	14.9
411.11288	3.9
411.16592	96.0
412.16986	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	411.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
57.03317	4.0
59.01040	0.9
59.01255	9.8
65.42830	0.9
68.80712	1.2
70.85797	1.6
71.01260	21.4
72.99174	4.2
73.02817	2.7
75.00749	28.0
83.01258	3.9
85.02832	33.5
87.00768	7.4
87.23044	0.9
89.02319	2.5
95.01266	3.1
99.00764	11.2
99.04394	2.8
101.02328	8.1
111.00791	1.4
112.01530	2.0
113.02338	34.3
115.00283	2.7
115.03893	1.3
117.01839	1.4
117.05466	2.0
127.92292	0.9
129.01822	1.4
131.27780	0.9
142.30875	1.0
157.01353	1.4
161.04507	2.1
161.08101	11.3
162.08578	1.0
175.02441	2.7
235.11868	5.5
249.06172	11.3
351.12704	1.1
393.13867	1.5
411.15106	100.0
412.15536	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82746	0.7
54.50066	0.7
55.01752	2.4
57.03333	6.4
58.00451	0.7
59.01258	16.1
67.01765	1.1
68.99686	0.9
70.00362	3.5
71.01260	28.9
71.04880	1.4
72.00813	0.8
72.99183	5.9
73.02814	4.8
75.00749	30.7
78.95783	1.2
79.31483	0.7
83.01254	4.0
84.02032	0.7
85.02827	39.6
87.00749	11.2
89.02308	3.4
95.01257	5.6
96.95898	8.9
96.96828	1.2
97.02862	1.4
99.00768	12.8
99.04383	2.9
101.02327	10.6
103.00220	1.3
111.00774	1.6
111.15620	0.7
111.24281	0.7
112.01517	2.0
112.98679	1.9
113.02336	36.2
114.02673	0.7
115.00220	3.4
115.03871	1.6
117.01803	2.3
117.05434	2.1
118.04997	2.8
125.02339	3.2
129.01814	1.7
138.96971	0.9
142.99794	1.0
149.73618	0.7
157.01341	2.6
161.04402	2.5
161.08105	10.5
163.77711	0.6
169.01347	1.9
175.02409	4.4
233.06636	0.9
235.11839	4.8
241.00160	4.8
249.06137	10.9
263.05991	0.7
267.07266	0.8
351.12924	1.4
401.53015	0.7
403.30136	0.7
410.20746	0.7
411.02698	3.0
411.09854	7.4
411.15060	100.0
412.10352	0.7
412.15518	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	411.127
Annotation	t(6)a
Peak:m/z	Relative Intensity
59.01247	27.3
62.34755	1.7
69.32242	1.8
69.47916	10.5
69.48339	4.8
72.00784	29.7
72.99182	3.7
74.02335	23.7
75.00748	4.0
83.04863	1.9
87.00759	2.1
88.41288	1.6
89.02308	2.8
93.03326	7.5
98.02411	1.5
100.00310	12.4
116.09995	2.1
118.04990	100.0
121.02824	2.4
123.04377	8.9
124.62410	1.8
132.47731	1.7
133.02806	5.5
137.02377	4.8
144.02905	14.3
149.02321	4.8
151.03917	6.4
160.02530	5.1
169.08661	1.7
173.04448	7.8
177.01808	5.3
179.05478	6.2
191.52115	1.7
195.02966	6.3
201.07574	2.0
233.06583	5.8
411.08768	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50558	0.9
57.03300	1.7
57.31207	0.9
59.01251	100.0
60.01603	1.7
64.75061	0.8
65.03815	1.3
66.73669	1.1
67.01753	2.3
68.99663	1.3
69.03326	4.4
69.88391	5.9
71.01252	5.6
72.99173	2.0
75.00745	3.6
81.03347	5.1
83.01247	1.3
83.04913	1.9
84.09094	1.1
85.02811	3.2
87.00763	8.1
89.03847	2.7
93.03333	41.7
93.03920	2.5
94.03654	1.4
95.01257	2.8
95.04897	3.8
97.02827	2.0
99.00739	1.3
99.04406	2.0
101.02361	1.0
103.00260	1.3
105.03342	5.4
107.04909	5.5
108.02056	6.7
109.02843	13.4
111.00812	1.1
111.04391	6.3
116.65771	1.1
119.04912	3.9
121.02819	7.2
123.00758	1.2
123.04410	54.3
124.66965	1.2
125.02303	4.7
127.03897	1.1
127.04966	0.9
133.02855	27.5
134.03496	1.6
135.00748	2.9
135.04402	1.7
136.37242	0.9
137.02345	19.0
137.05890	1.1
149.02338	13.0
149.06006	1.3
151.03914	28.6
152.04193	1.7
155.03384	9.2
163.03891	2.8
173.04469	53.7
174.04829	1.6
177.01860	21.9
179.03410	1.3
179.05521	5.4
191.05576	3.3
192.00523	6.4
195.02917	34.0
197.04356	1.0
201.07559	4.2
207.02888	6.2
215.05528	5.3
233.06636	48.5
234.06978	3.0
235.07060	1.3
262.03253	1.1
267.07132	1.3
276.33713	1.0
348.44833	0.9
351.07086	14.0
369.08340	2.6
401.06607	1.0
411.09262	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	411.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15654	1.9
59.01253	100.0
69.03331	2.7
71.01266	2.4
74.61258	2.1
76.09210	1.8
81.03343	4.4
82.35268	1.7
83.04855	2.1
87.00758	13.7
87.62340	1.7
93.03338	30.9
95.04888	3.1
105.03365	4.4
107.04917	4.2
108.02046	5.4
109.02820	8.9
111.04403	6.0
113.02412	2.3
119.46027	1.9
121.02834	7.1
123.04420	50.2
125.02320	4.7
133.02864	26.4
135.00746	2.8
137.02318	10.6
149.02379	13.2
151.03911	29.7
155.03374	6.9
173.04485	41.4
177.01842	23.8
191.05617	2.8
195.02927	35.1
215.05595	5.2
233.06624	50.2
234.06918	2.0
321.67377	2.3
351.07288	11.0
411.09381	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	409.236
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
78.95776	68.4
96.96840	5.8
112.23402	0.3
112.31181	0.2
112.73273	0.3
126.83562	0.3
150.97945	1.8
152.99489	100.0
153.99809	1.6
171.00571	3.0
229.40051	0.3
229.47821	0.3
255.23274	1.9
256.23563	0.4
302.92160	0.3
358.53778	0.3
409.23627	11.4
410.23877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
59.01251	59.6
60.01600	0.5
62.16121	0.5
66.27858	0.6
67.01768	3.9
69.03334	0.5
69.36012	1.8
69.36439	2.5
71.01251	3.9
81.03344	0.8
83.04905	1.5
85.02827	1.1
93.03335	28.3
109.02832	1.0
111.00780	0.9
111.04401	4.9
113.02288	0.9
117.03287	0.5
122.15688	0.5
132.02063	0.7
133.02847	0.5
134.03641	5.9
137.02351	7.2
149.06015	0.6
155.03387	5.5
160.01604	3.6
173.04482	100.0
174.04800	3.8
175.03923	2.2
183.19896	0.5
191.05560	1.6
193.04973	4.2
204.75603	0.5
222.80020	0.5
233.06631	90.4
234.06958	5.2
305.53326	0.6
349.09259	6.1
397.04709	0.5
398.53473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	53.7
68.99659	3.6
69.47214	20.3
71.01252	40.0
72.99186	15.0
73.02778	4.2
75.00748	22.7
75.02457	6.3
75.05788	2.8
78.95769	10.4
79.90219	2.8
85.00892	3.8
87.00732	12.6
88.03919	3.5
96.95896	13.0
96.96858	6.0
97.00899	3.6
99.00772	21.0
100.98662	3.3
101.02323	5.6
101.04033	5.6
103.00247	12.6
110.98406	3.8
111.00701	3.7
112.98700	26.0
113.02310	4.6
114.98325	3.8
114.99472	4.3
115.00260	65.2
115.01936	3.3
117.01795	10.9
124.98710	3.7
129.01869	6.0
129.03554	18.3
133.20016	2.8
142.99779	37.8
143.01442	4.0
145.01323	13.6
145.03040	5.5
157.01294	5.8
157.03069	5.7
171.01022	6.2
173.02531	6.5
175.02345	15.3
201.02078	17.6
233.04718	100.0
234.05060	6.8
241.00240	4.4
245.14113	2.5
260.24301	2.8
263.05917	3.3
267.07300	3.0
349.20157	2.9
367.06900	3.1
409.07813	74.6
409.12125	7.1
410.08054	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	407.2204
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
52.71964	0.6
55.59828	0.6
59.01234	1.2
60.87613	0.6
62.96301	0.8
78.95779	100.0
80.07904	0.6
84.42007	0.6
96.96850	8.3
98.19678	0.5
105.10532	0.6
121.70310	0.6
129.89389	0.6
139.61810	0.7
150.97876	1.5
152.99498	78.6
153.99770	1.1
154.06342	0.6
171.00560	59.8
172.00906	1.2
407.22104	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65886	0.8
53.70553	0.9
55.01482	1.0
55.01752	2.3
57.03328	2.0
57.21016	0.8
58.00460	1.3
59.01252	100.0
60.01570	1.6
64.47089	0.9
66.96407	0.8
69.03333	1.0
69.47607	8.1
71.01257	23.9
73.02820	9.9
75.00747	1.1
83.01260	3.7
83.04866	1.1
85.02826	12.7
87.00761	2.7
87.04362	1.0
89.02322	8.1
95.01270	1.9
97.06496	1.2
99.00753	3.3
101.02332	18.6
113.02344	9.2
119.03383	2.6
119.04929	2.1
128.03397	1.5
131.03279	0.9
143.03488	1.0
145.02802	1.0
147.04376	1.1
151.03915	1.1
157.08694	0.9
157.09978	0.8
159.10201	2.3
161.04485	5.0
161.05626	1.0
163.03825	1.1
179.03477	1.4
196.98407	1.0
203.12816	3.5
243.04100	1.4
244.04922	1.1
252.81778	1.0
257.05432	1.2
259.07269	2.1
271.07217	1.5
287.10422	4.0
309.07706	1.1
313.08426	5.1
329.15985	4.4
331.09363	4.3
347.17065	4.0
365.18259	9.0
366.18304	1.0
389.18127	3.6
407.10715	2.5
407.19226	58.3
408.19440	5.5
419.39343	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0603
Annotation	Scolopendrine
Peak:m/z	Relative Intensity
59.01252	21.0
71.01248	3.6
72.00777	4.6
73.02811	3.0
79.95612	9.1
85.02842	1.2
89.02323	2.2
91.25176	1.1
93.03314	1.3
97.09136	0.9
100.00285	11.6
101.02325	3.0
107.04904	4.6
113.02325	1.3
117.03342	8.4
119.04922	100.0
120.05225	4.5
128.53429	1.1
134.06010	8.0
136.07617	1.2
137.02296	1.0
143.04445	1.1
145.02863	50.6
146.03174	2.4
158.06038	3.3
162.05571	2.4
163.03925	23.3
177.03296	2.9
180.06583	5.2
186.03876	1.0
195.68179	1.2
202.05045	1.6
206.04549	35.5
207.04662	1.1
214.01779	5.5
245.46074	1.0
282.11368	13.3
315.06311	8.3
326.10352	20.4
326.14005	0.8
327.10861	1.4
362.06735	4.7
364.16776	1.5
365.17972	1.4
406.06003	75.2
407.06329	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	405.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05354	0.8
52.11597	1.0
59.01257	100.0
60.01600	1.0
70.90649	2.7
71.95444	0.8
78.95779	3.5
108.60808	0.9
115.13486	0.9
138.92839	0.9
239.80133	1.3
259.02139	1.1
358.80627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62848	0.9
59.01256	100.0
70.02191	2.1
70.02608	4.6
78.66163	1.0
85.32648	1.1
105.68923	1.1
106.28936	1.1
228.52315	1.2
236.93353	1.3
279.19708	1.6
317.94559	1.3
345.85266	1.1
381.01178	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.3
59.01256	4.9
66.42058	0.7
69.03329	1.1
71.01247	1.5
71.04910	0.7
71.33567	0.7
71.57724	1.6
83.04903	1.5
85.47701	0.7
96.95934	0.8
97.06474	0.8
100.77077	0.7
107.04926	1.2
109.06445	0.8
111.08068	1.2
135.08066	1.4
137.09631	1.1
156.57478	0.8
163.64044	0.7
197.11882	0.8
211.13292	1.3
213.14917	2.2
231.17453	0.9
239.16478	2.9
241.18192	2.1
247.13388	1.5
275.16599	1.2
291.19739	2.1
315.26968	2.1
323.22281	7.0
325.25458	5.5
333.27997	1.8
341.24973	1.6
343.26523	4.0
351.23438	1.2
359.25803	3.6
361.27396	2.9
369.24475	5.7
377.26978	2.0
387.25433	14.8
388.25717	2.2
405.26501	100.0
406.26819	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	405.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.4
65.91534	0.9
66.42730	0.9
73.02847	1.2
75.33397	1.1
95.04929	1.2
105.58517	1.0
111.08030	1.6
192.24693	1.0
219.36151	1.1
239.16522	3.0
241.17987	2.9
253.17818	1.2
275.16632	2.2
291.19641	1.2
299.18127	1.1
309.33255	1.1
314.37183	1.1
315.26917	2.3
317.28836	1.2
325.25327	4.2
333.27927	2.3
341.24753	2.4
343.26434	5.5
351.23410	1.2
359.26007	3.1
361.27667	6.4
369.24310	5.9
387.25381	11.1
388.25699	2.0
405.26480	100.0
406.26804	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.4
58.00476	1.2
59.01252	31.5
64.80104	0.4
65.00207	0.6
71.01255	16.0
71.58033	0.9
72.99184	1.3
73.02814	3.8
74.02348	0.5
83.01278	1.4
85.02840	3.7
87.00768	0.8
89.02319	16.1
93.03331	0.5
95.01275	1.4
99.04397	1.1
101.02323	7.9
107.01276	1.1
113.02335	5.5
116.83309	0.4
119.03386	5.2
124.01579	1.0
131.03418	0.6
138.29773	0.5
143.03413	0.7
151.00279	6.7
152.01051	2.3
161.04613	0.6
163.11185	4.2
168.26587	0.4
178.99846	1.1
179.05499	1.1
181.12262	24.4
182.12610	1.7
191.05612	0.4
199.03896	0.6
207.10225	1.1
215.03419	0.7
225.11275	100.0
226.11626	8.0
227.03394	1.2
227.12839	1.2
243.02805	1.1
243.12399	0.7
244.03470	0.6
271.02441	0.7
272.03253	22.6
273.03799	5.3
287.14981	3.3
329.10812	0.6
405.09189	3.3
405.17590	22.5
406.17978	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	404.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75172	0.3
55.41864	0.3
59.01241	0.8
61.98701	0.6
66.04125	0.3
66.66662	0.3
69.03318	0.5
69.29346	3.6
74.98994	0.3
78.95779	1.9
80.96208	0.5
82.06516	0.8
98.05985	1.9
98.19747	0.6
100.07500	0.3
118.53436	0.3
126.05505	33.4
127.05853	1.2
127.13354	0.3
128.88742	0.3
144.06570	100.0
145.06917	3.1
161.58350	0.3
166.14781	0.3
248.21204	0.3
277.21722	22.2
278.21988	1.8
323.22610	0.4
369.53577	0.3
387.25424	0.8
404.28156	8.5
405.26437	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	405.1193
Annotation	CHEBI:76157
Peak:m/z	Relative Intensity
54.74916	0.2
59.01247	2.0
65.00188	0.5
65.03840	0.3
69.03352	0.3
69.22919	0.8
69.23344	1.6
71.01259	0.6
73.02840	0.2
75.00752	0.3
79.60349	0.2
80.02546	0.5
81.03350	0.2
85.02842	0.3
89.02329	0.3
91.01777	14.6
93.03310	0.3
95.01271	1.0
95.73851	0.2
101.02319	0.4
107.04929	0.8
108.02057	20.4
109.02872	4.5
111.00738	0.2
113.02326	0.5
119.04948	0.3
121.02834	0.8
123.00777	6.0
124.01556	0.6
135.00784	14.4
136.01129	0.7
137.02357	4.0
145.59259	0.2
152.01070	18.8
153.01569	0.9
169.06677	0.3
173.04593	0.2
197.06058	1.7
199.07593	0.9
213.05589	1.0
215.07108	0.8
225.05528	0.4
241.05032	0.2
243.06606	100.0
244.06952	7.5
392.58389	0.3
405.11996	3.9
406.12045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38538	1.4
58.02845	12.7
58.99453	1.6
59.01254	15.9
62.66725	1.4
69.97445	4.1
69.97839	3.6
70.02843	2.4
71.01262	7.0
72.00799	2.8
74.02354	29.1
78.09184	1.3
81.04479	1.6
82.02849	2.5
84.04366	1.7
86.02351	8.5
86.98973	2.5
87.05514	8.3
89.02310	10.8
89.61052	1.3
90.00063	1.7
96.19454	1.5
97.35583	1.5
99.05527	24.6
101.02340	3.9
101.07090	3.4
102.05475	3.8
109.03988	2.6
109.07597	1.8
112.03908	5.3
113.02304	2.2
113.03443	2.7
116.01653	2.2
119.03373	2.0
123.05547	1.6
124.03959	2.1
125.03486	2.9
127.05046	4.5
128.03438	72.0
135.05519	6.8
136.47946	1.6
137.07123	1.5
141.06601	7.9
143.04533	100.0
144.04892	1.8
145.06067	4.8
146.04529	9.5
153.06598	6.7
155.08157	2.6
160.00665	27.3
166.09796	4.2
167.04599	8.4
167.08170	2.7
177.03267	7.6
179.04555	17.5
181.06110	4.9
185.05602	3.0
203.06778	1.5
210.08774	16.8
242.07732	3.0
254.07806	22.3
272.08871	32.5
273.09262	2.1
288.06726	10.7
306.07666	67.0
307.07925	3.8
405.21201	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	403.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41653	4.9
57.11553	4.3
59.01253	100.0
61.98690	7.6
66.26383	4.5
69.28999	53.0
77.91035	4.8
78.95783	8.9
110.78767	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	404.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35140	1.3
58.02849	9.8
59.01254	1.9
69.75530	3.8
69.75954	6.3
71.01264	1.9
74.02343	27.7
82.02853	2.9
84.04369	1.7
86.02354	9.3
86.05988	2.7
86.99007	1.6
87.05518	6.5
90.00062	3.3
93.78423	1.5
97.03951	4.0
98.19864	2.8
99.05527	20.7
101.07082	3.3
102.05487	2.7
107.06053	1.7
109.03976	2.3
111.05552	1.8
112.03899	2.3
113.07076	1.3
116.01682	1.9
120.01164	1.4
121.73055	1.7
123.05564	2.3
124.03931	2.4
125.03485	3.9
127.05037	3.6
128.03433	60.1
129.03786	1.4
135.05544	4.9
137.07083	2.1
141.06599	5.3
143.04536	86.4
144.04884	1.8
145.06059	4.3
146.04518	8.4
153.06581	3.5
160.00664	24.9
166.09781	2.4
167.04510	6.7
167.08099	2.4
177.03329	9.8
179.04565	16.1
185.05652	2.3
197.05609	3.8
210.08781	17.2
242.07770	1.6
242.48326	1.5
254.07835	30.2
255.07968	2.0
272.08905	42.7
273.09024	2.3
288.06564	14.6
306.07666	100.0
307.07901	5.6
348.49753	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	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
71.17886	61.4
71.18194	94.4
76.65068	52.9
101.01019	49.5
104.90132	56.7
110.25859	62.7
126.19867	57.1
142.15591	56.4
166.29227	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46203	0.4
57.03319	1.3
57.71868	0.5
59.01251	10.8
60.41746	0.5
61.98690	1.0
62.90356	0.4
69.03326	0.7
71.01252	2.0
71.04910	0.6
72.99142	0.6
74.02377	0.8
74.50203	0.5
83.04897	1.0
84.43539	0.5
89.02312	5.2
91.03886	17.9
92.04249	0.5
97.03976	0.7
97.06466	0.9
99.05486	0.5
99.08046	5.8
100.76035	0.5
113.02289	0.7
121.02879	0.8
125.02335	0.5
125.09622	1.1
127.11197	2.9
137.02338	1.5
139.11185	1.5
145.34441	0.5
155.14294	0.7
165.12733	0.7
167.14334	1.6
171.10184	5.5
181.27274	0.5
183.13834	7.7
188.87616	0.5
193.12267	2.0
199.13251	0.8
200.60680	0.5
209.11795	1.8
211.13347	38.9
212.13649	2.2
227.08075	0.7
229.14426	20.8
230.14790	1.7
238.57204	0.6
283.10873	1.6
293.18460	1.1
293.21533	2.6
311.22281	10.7
312.22540	0.6
329.23331	100.0
330.23685	10.1
337.17770	1.1
360.69983	0.6
369.20032	2.9
403.19443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1974
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01763	2.5
55.55027	0.4
57.03323	2.0
58.00468	1.3
58.15765	0.5
59.01254	62.8
61.98686	1.9
65.14983	0.5
69.03316	1.6
69.23543	6.0
71.01257	26.9
72.99183	1.5
73.02822	8.5
75.00734	1.6
83.01256	6.5
85.02823	12.8
85.99963	1.7
87.00750	4.5
87.04338	0.7
89.02318	4.5
89.68257	0.5
95.01269	2.5
95.04864	0.8
97.02824	1.9
98.20580	1.1
99.00774	3.3
101.02324	17.7
109.02819	1.5
111.00757	1.3
113.02327	7.6
113.89749	0.5
119.03400	1.1
123.00725	0.9
124.01517	1.2
125.02375	3.4
129.01833	0.6
135.02930	0.5
135.80156	0.5
137.02325	2.0
139.03911	0.8
143.03343	0.8
147.04356	0.6
149.02332	0.6
150.03159	0.7
151.00339	0.6
151.03979	0.6
159.02914	0.9
161.02319	0.8
161.04471	2.0
161.05821	0.5
163.04012	0.6
165.01848	0.6
167.14331	0.5
175.03859	0.7
180.04158	0.6
181.12259	1.6
185.15434	0.5
199.13324	12.3
200.13660	0.7
201.61195	0.6
211.13435	0.6
213.14914	1.6
217.08719	0.6
223.13371	0.7
241.14391	2.2
249.06090	0.7
255.03011	1.2
271.02487	2.6
289.07288	1.1
299.01956	1.3
300.02768	5.7
301.03183	0.6
305.06647	1.7
306.07651	0.9
315.01569	1.0
315.05112	6.0
315.08597	0.8
317.19644	3.3
343.17627	21.7
344.17960	2.2
359.11508	0.8
361.18674	60.1
362.19077	4.5
385.12885	0.7
401.14056	0.6
403.14798	3.5
403.19702	100.0
404.20020	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	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77989	1.2
56.92756	1.1
57.03303	2.1
58.00464	3.4
59.01254	75.4
69.41592	13.4
71.01254	53.8
72.99183	4.2
73.02814	4.5
77.77496	1.3
78.63541	1.2
78.64576	1.2
83.01262	1.5
85.02821	10.1
87.00741	1.9
88.71384	1.3
89.02319	52.7
93.03336	1.2
94.86588	1.2
95.01266	2.4
99.04395	5.7
101.02324	23.4
111.00710	1.3
111.04374	2.0
113.02351	17.4
119.03395	22.9
124.05199	2.0
131.03383	3.7
135.11685	5.9
138.14574	1.3
143.03395	4.3
144.63092	1.2
149.04529	1.6
149.39944	1.2
161.04465	2.4
161.09677	3.4
175.02422	2.1
179.05519	5.5
179.09117	2.5
179.10713	50.3
180.11063	3.1
223.09720	100.0
224.10104	7.7
273.74078	1.3
315.14429	8.2
403.16187	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	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	30.3
67.81537	2.1
71.01241	7.1
71.58015	3.0
72.99176	2.2
73.02808	6.5
74.94252	2.0
75.00735	3.6
80.32734	2.4
85.02859	3.0
87.00736	3.2
89.02297	5.6
93.03345	2.5
99.00751	2.6
101.02316	4.2
104.04877	2.2
109.02821	3.5
113.02339	3.9
118.79455	2.1
122.06005	8.6
125.02319	3.4
130.02850	3.3
132.04448	16.5
133.39574	2.1
137.02354	5.4
139.00270	3.7
147.03143	4.9
148.03947	3.1
150.05502	4.0
151.00262	4.3
158.02371	7.7
160.04005	12.0
162.05493	2.9
175.02576	4.0
176.03496	14.6
176.07060	4.7
178.99649	2.7
179.03409	3.5
190.05066	18.2
191.05409	2.4
201.95625	2.6
204.02959	3.6
211.12354	3.0
212.05878	2.5
213.06508	2.4
215.11772	5.6
223.08611	3.1
224.09502	12.8
225.06314	3.5
226.07307	4.1
227.08299	6.4
234.04129	3.3
239.08208	3.0
239.11874	24.2
240.10155	7.4
241.01178	6.7
241.09790	6.3
241.14474	2.9
242.01987	2.4
243.02907	6.4
245.00879	3.9
250.07411	2.7
252.05342	3.0
253.06181	26.5
255.07623	6.8
255.11372	4.5
265.09744	6.8
267.07681	8.3
268.08563	12.1
270.01639	10.1
271.02463	18.9
281.09259	6.9
283.10901	67.9
284.11115	7.2
297.38367	2.5
299.10324	2.6
309.08820	19.6
310.09311	3.0
327.09885	88.2
328.10089	10.3
341.11295	7.7
353.07715	5.4
359.12253	7.8
371.04391	4.4
371.08850	77.3
372.09024	6.0
403.07050	5.0
403.11371	100.0
403.23486	6.0
404.11569	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96915	2.5
57.03339	2.7
59.01253	34.3
60.62323	2.4
71.01249	14.4
71.04837	2.3
73.02810	5.9
75.00718	3.6
79.70253	2.1
80.04919	3.1
85.02805	4.2
89.02290	5.0
93.03326	4.3
95.01223	2.1
95.04806	2.3
97.02822	2.9
98.19785	7.2
99.00717	2.2
101.02308	5.2
108.04417	3.2
109.02823	4.1
113.02280	2.7
115.91911	2.4
120.04364	2.9
122.06039	11.5
122.06815	2.4
123.04359	3.6
125.02319	4.8
130.02907	3.1
131.03510	3.0
132.04453	25.3
135.04417	3.4
137.02324	6.4
139.03894	2.2
146.05983	2.7
147.03156	4.0
148.03944	3.7
150.05470	5.9
158.02403	11.7
160.03886	12.8
161.04544	5.6
162.05458	5.8
175.02611	4.5
176.03430	21.1
176.07057	2.3
176.60524	2.4
179.03395	4.7
181.08574	3.7
182.67677	2.6
184.07565	4.8
190.05031	24.3
191.05490	4.2
195.06580	2.2
196.11259	2.8
197.07025	2.2
198.04146	2.3
203.97563	2.4
204.02885	6.8
211.12260	4.2
212.05727	5.4
212.10693	3.6
213.06587	2.5
215.11749	5.6
223.08707	3.9
224.07477	3.0
224.09439	14.2
225.06345	2.6
226.07384	4.3
227.08200	13.0
234.04088	3.5
239.08185	6.0
239.11841	26.4
240.05293	2.5
240.10112	8.8
240.12253	3.8
241.01320	4.9
241.09654	11.5
242.47026	2.4
243.02885	2.5
245.00934	3.2
250.07285	5.3
252.05309	2.3
253.06184	39.0
253.09976	4.4
254.06635	4.8
255.07651	5.8
255.11259	11.0
265.09518	3.2
266.06827	3.4
267.07825	10.8
268.08527	17.1
269.09164	6.4
270.01648	4.5
270.06525	2.5
271.02487	11.7
271.07043	4.2
281.09454	10.1
283.10892	85.2
284.11057	8.3
287.10361	3.0
287.14688	3.3
294.06320	3.1
308.46579	2.2
309.08832	27.5
310.09085	2.9
327.09857	99.3
328.10086	9.4
341.11279	7.3
353.07672	4.8
359.12274	8.0
371.08804	76.4
372.09030	9.5
385.10541	2.5
403.07010	5.1
403.11349	100.0
403.23361	3.1
404.11673	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	401.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71818	0.6
57.03325	3.2
59.01256	9.0
69.03333	1.7
69.23199	9.6
71.01252	3.0
73.02823	2.1
77.33871	0.7
82.62895	0.7
84.02076	0.8
85.02826	11.3
85.03294	1.0
89.02324	5.8
91.03887	22.4
97.02838	2.0
97.06497	4.1
101.01376	0.7
111.98095	0.7
113.02327	0.8
125.09619	2.6
127.11158	1.9
137.09610	3.4
151.00378	0.8
153.01900	0.8
153.12788	2.9
155.10715	2.0
155.14268	0.9
165.12840	1.3
167.14331	1.0
171.10187	25.1
172.10646	1.1
177.12802	0.9
179.10681	0.9
183.13887	3.6
193.12257	0.9
195.13875	6.9
195.24942	0.8
197.11784	2.4
201.11264	1.2
209.11803	1.8
211.13341	20.1
212.13686	1.0
217.72258	0.7
221.11783	3.2
229.14420	11.6
239.12863	5.5
247.20894	0.9
291.19681	6.6
292.20010	0.9
309.20712	8.2
310.21143	1.2
327.21786	100.0
328.22110	11.2
370.19827	1.0
401.20218	0.9
401.25671	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89581	0.2
62.96271	0.3
71.30725	0.2
74.60269	0.2
77.11021	0.2
78.95779	100.0
95.35018	0.2
96.96844	11.7
98.19815	0.3
140.01091	0.7
169.11441	0.2
173.25546	0.2
261.42316	0.2
261.45132	0.2
285.43246	0.2
312.15259	0.2
364.16739	0.2
402.24139	22.4
403.24417	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	401.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.8
57.03320	1.6
59.01248	1.7
59.29847	0.9
69.55821	5.6
69.56227	1.6
71.01257	1.3
73.02836	4.9
83.04925	1.0
85.02850	1.2
91.03892	3.8
93.52705	1.0
97.06463	2.4
98.03584	1.6
98.20523	2.0
99.08037	1.8
102.67343	1.0
112.05174	2.9
113.09643	1.6
115.07538	3.4
121.02844	10.4
125.09659	2.2
127.07560	3.6
127.11188	3.7
129.09111	26.7
139.11186	1.2
141.09123	11.4
153.12767	1.1
155.10687	53.0
156.10999	1.9
165.12730	1.7
167.10611	1.2
171.10211	12.7
177.74774	0.8
183.10207	1.3
185.11763	42.4
186.12080	1.5
197.11778	36.6
198.12080	2.2
209.11755	7.6
210.59097	0.8
211.13223	1.9
232.30223	0.9
247.20607	3.4
260.73010	0.8
291.19696	20.9
292.19946	2.0
299.22089	1.1
301.65009	0.9
309.20724	44.7
310.21146	4.4
313.07037	2.3
327.21765	100.0
328.22095	12.1
401.08600	1.6
401.25360	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03307	1.2
59.01252	2.6
66.13312	0.5
69.03339	0.7
69.23354	6.5
71.01271	0.9
71.04907	1.0
73.02827	4.7
83.04914	1.1
85.02847	1.3
87.13863	0.5
89.02349	0.8
91.03896	2.4
97.06477	2.4
98.03613	0.8
98.19778	1.3
99.08035	1.9
99.12789	0.6
110.30635	0.5
112.05199	2.9
113.37450	0.6
115.07578	2.9
121.02856	10.3
123.08115	0.6
125.09653	2.7
127.07569	3.4
127.11196	2.9
128.76717	0.5
129.09116	24.0
130.09503	0.9
136.98932	0.5
141.08092	0.9
141.09117	10.8
141.12732	1.4
142.09547	0.6
155.10696	51.4
156.11018	2.3
163.11177	1.2
165.12772	1.9
171.10211	13.8
173.08134	1.1
180.11563	0.7
183.10312	0.7
183.13905	0.7
185.11774	45.1
186.12140	2.2
193.12248	0.7
193.15987	0.7
197.11786	33.5
198.12102	1.7
209.11815	7.1
211.13292	1.7
238.12111	0.8
247.20619	2.4
271.02316	0.6
273.18622	0.9
291.19675	22.1
292.20007	2.3
299.22171	0.9
300.02676	0.9
309.20724	40.7
310.21091	3.3
313.07156	3.4
327.21780	100.0
328.22116	11.1
348.94745	0.5
383.24570	1.0
401.08722	2.2
401.25296	1.5
407.15906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	3.3
57.03324	31.7
59.01255	67.5
63.92851	2.0
69.62589	6.7
69.63017	9.0
70.91194	1.9
71.01255	49.9
73.02824	9.2
83.01265	3.2
83.98108	2.1
85.02832	14.7
87.00759	4.0
89.02316	24.9
95.01263	4.0
95.04925	3.1
98.19801	4.5
101.02329	21.9
109.02815	2.7
113.02328	19.6
113.31238	2.3
119.03410	10.2
121.06496	3.0
123.04308	2.7
123.08067	19.9
135.04398	14.6
135.08058	2.8
148.05249	3.2
151.07559	38.2
159.02893	4.1
161.04465	10.2
161.09639	15.6
163.07544	23.9
165.09091	12.8
173.09563	2.9
174.54591	2.3
177.09123	9.8
179.05524	3.5
179.10667	20.9
187.07524	3.7
188.08334	14.9
203.10719	89.8
204.11078	5.2
212.69418	2.6
221.11787	100.0
222.12105	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	401.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37360	0.5
57.03331	12.0
59.01254	20.0
69.03310	1.8
69.45432	5.3
69.87411	0.6
71.01258	18.7
72.01574	0.7
72.99162	1.6
73.02818	5.7
74.02343	1.7
75.00743	1.1
81.03332	1.6
83.01282	1.5
83.04932	0.9
85.02828	9.2
87.00744	2.1
89.02319	6.7
93.03321	1.4
95.01250	3.1
95.04890	1.8
97.02824	3.1
97.06488	0.7
99.00774	1.9
101.02335	8.1
101.02942	1.2
103.03943	1.0
107.04928	2.5
108.02056	20.0
109.02853	15.4
109.06503	1.4
113.02323	6.9
119.03365	1.8
119.04946	1.0
119.08569	1.0
121.02830	2.1
121.06493	15.3
122.06899	1.0
123.00810	1.3
123.04397	2.3
123.08062	4.9
125.02302	0.9
125.05915	0.8
128.03429	1.4
129.03691	0.8
131.08582	4.1
133.06499	4.2
133.10167	1.1
134.03627	1.5
135.04451	4.4
135.08067	3.7
137.09708	0.8
139.07568	1.0
141.09140	2.0
143.04559	2.0
144.05704	14.2
145.02876	1.0
147.04372	1.4
147.08054	1.4
148.05145	0.8
149.06004	2.0
149.09636	34.1
150.09982	1.7
151.03946	1.8
151.06480	1.1
151.07571	8.9
151.11183	1.3
152.01062	19.3
153.01846	7.5
153.09106	1.2
158.07190	1.0
159.02910	1.8
159.08073	11.2
160.08736	0.8
161.04475	5.8
161.05988	4.4
161.09622	3.7
162.06792	1.5
163.07597	5.5
165.01825	1.0
165.09143	3.1
173.04509	1.1
173.05945	1.4
173.09657	2.0
175.07504	1.2
175.11238	1.3
177.09140	100.0
178.09540	5.8
179.10713	7.9
185.09674	0.8
187.07597	2.4
188.08357	5.6
191.05511	1.3
191.07053	1.1
191.10741	2.8
193.12317	2.2
203.07095	1.1
203.10724	23.0
204.11063	1.3
205.08629	5.9
206.09435	5.0
221.11790	61.5
222.12112	4.1
239.12875	13.0
240.13301	0.9
360.06061	0.8
383.10150	1.4
401.10770	20.6
401.18414	1.4
402.11325	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	Unknow
Peak:m/z	Relative Intensity
55.01246	1.7
59.01251	20.1
69.03323	3.5
69.41472	1.7
69.41780	17.7
71.01250	7.0
72.99194	5.8
73.02816	2.1
75.00747	36.0
83.01248	2.4
85.02846	2.7
87.00740	4.3
88.52711	1.5
89.02338	7.7
95.04889	3.1
97.02835	2.9
98.20611	4.1
99.00777	4.0
101.02335	2.3
102.05507	2.0
106.05934	2.0
107.11743	1.8
109.02834	10.5
111.00758	2.8
112.98695	3.2
115.00269	5.5
123.00741	2.0
123.04418	5.0
125.02327	10.1
125.09596	3.9
128.79935	2.2
135.02892	100.0
137.02341	4.7
138.03058	2.0
139.00275	1.9
139.21458	2.4
141.01875	4.5
142.99748	5.4
149.02319	4.7
151.03902	1.9
153.01842	5.2
161.02356	3.2
165.01912	2.2
173.00897	3.5
175.02420	6.9
175.03949	4.6
183.13914	5.2
193.04857	1.7
193.12383	2.6
207.06630	2.3
209.11714	2.7
211.13332	37.8
211.15164	3.3
212.13731	2.2
221.11842	2.8
227.50949	1.9
239.03636	2.4
239.09218	3.3
239.12953	2.9
251.09225	2.4
265.10910	4.2
277.11029	1.8
283.11902	11.8
289.07257	3.4
295.11963	5.1
303.05151	2.9
323.11609	2.6
327.21594	2.5
331.86856	2.3
352.86267	1.9
366.68787	1.9
383.13486	6.5
401.12363	10.9
401.17102	2.5
401.22198	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	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87323	19.6
54.81493	20.6
59.01249	64.8
63.67000	20.4
70.05405	100.0
71.01251	45.4
73.02834	21.3
87.15336	20.3
89.02317	41.6
179.05621	19.4
215.09299	24.2
249.76462	29.4
268.97272	24.0
313.47922	21.5
341.10889	45.7
394.37335	23.6
401.11008	30.6
404.62885	28.8
404.69864	26.4
418.00467	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	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12133	3.0
58.34573	3.1
59.01251	17.4
70.64858	9.4
71.01256	21.5
71.33165	3.1
72.99165	4.6
73.02822	8.9
85.02834	12.3
87.00755	100.0
88.01056	3.0
89.02325	9.1
101.02344	4.4
108.02041	18.8
109.02847	7.7
111.00767	4.1
113.02387	7.0
121.02863	4.5
127.03876	4.3
138.03175	4.4
151.00290	9.2
152.01044	10.9
161.02310	8.6
163.03917	8.0
164.04659	7.7
165.05426	3.9
166.02638	17.7
176.04723	5.2
177.01787	5.1
178.06241	4.1
179.03406	11.5
179.06976	20.6
181.05022	13.5
186.38783	3.3
191.03456	8.5
191.07039	4.1
194.05760	10.2
205.04813	3.8
206.05672	4.3
209.08183	7.0
219.02869	3.7
247.02229	3.6
249.07721	3.8
261.07492	4.6
265.07217	35.1
277.07169	6.7
283.45090	3.4
295.08179	10.6
341.10983	4.2
357.08331	8.0
401.10938	68.9
402.11133	6.8
409.16241	2.8
414.04044	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1242
Annotation	Paraibanol
Peak:m/z	Relative Intensity
50.23423	1.0
57.03320	3.1
59.01258	4.9
59.64016	1.0
69.27968	11.8
71.01262	3.9
73.02841	1.6
81.03339	4.7
81.92644	1.0
83.01265	6.5
85.02837	1.8
85.90508	1.1
87.00742	2.5
93.03357	2.1
95.01288	1.4
95.04897	6.3
97.02823	8.0
99.00743	1.9
101.02293	1.2
108.02020	1.3
109.02847	30.3
109.06437	1.3
111.04404	1.3
121.02871	5.1
122.03687	2.7
123.04433	18.9
125.02340	24.9
126.02606	1.4
127.07569	1.6
135.04401	3.3
137.02354	16.4
138.03130	1.4
139.03943	5.3
142.99811	1.7
145.02859	2.0
146.03641	1.8
149.02356	7.3
149.05981	1.3
150.03175	1.3
151.03937	12.4
151.07552	2.0
153.01843	2.5
153.05476	1.8
159.04442	4.6
160.05244	1.7
160.89638	1.2
161.02361	5.7
161.06012	7.0
162.03165	2.2
163.00229	2.8
163.03902	2.6
163.07510	1.5
164.01071	4.5
165.01820	6.6
166.02673	1.7
167.03412	2.9
169.32309	1.1
175.03897	4.5
175.07539	2.3
177.01865	3.3
177.05470	1.2
178.99768	1.4
179.03426	9.6
185.06004	1.8
187.03937	5.9
188.04753	5.1
191.03358	1.6
191.07124	1.3
195.06566	8.6
199.07663	1.1
201.05602	1.8
202.06335	2.2
203.03537	1.2
203.07088	16.9
205.05013	12.2
217.05075	1.6
217.08684	1.5
221.08203	5.9
227.07185	2.6
231.02907	3.0
234.05194	2.3
235.06143	2.8
245.08167	22.9
246.08597	2.0
247.06139	2.7
289.07199	100.0
290.07535	9.6
292.00296	1.1
339.12863	1.4
357.09653	4.1
371.07138	1.3
383.11380	2.5
401.12451	44.7
402.12567	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60917	1.2
59.01248	5.3
64.46160	1.4
66.49265	1.3
68.99687	2.1
69.03318	2.4
70.74733	4.7
71.01258	15.5
72.99192	3.2
73.02818	11.4
75.00768	1.6
81.03336	1.7
83.01235	1.9
85.02830	10.4
87.00755	100.0
87.61335	1.2
89.02299	1.6
97.02840	1.4
98.20498	1.9
99.00742	1.4
101.02315	5.2
108.02030	8.7
108.04466	3.7
109.02869	6.9
109.03891	1.8
111.00761	1.9
113.02331	3.4
115.00279	1.5
121.02827	2.1
123.00768	2.9
125.02316	2.1
127.03883	1.7
131.03349	2.3
133.01266	1.4
147.02972	1.5
147.26410	1.5
149.02347	4.3
151.00325	9.4
151.03917	3.2
152.01057	5.9
153.01805	4.1
153.05458	1.7
157.04897	1.7
161.02362	6.6
161.04268	1.4
163.03915	8.2
164.04727	10.6
165.05446	6.0
166.02618	18.7
175.03973	2.6
176.04691	5.5
177.01912	3.1
178.06244	7.0
179.03439	12.2
179.07045	22.3
181.04980	20.2
187.03972	2.7
191.03424	9.7
191.06985	2.7
192.04105	2.8
193.04935	6.6
193.08749	2.0
194.05806	11.1
202.06291	1.6
203.03423	3.7
204.04036	1.6
205.05026	4.1
206.05737	3.1
207.02982	2.4
207.06517	2.6
209.08134	12.9
218.05757	2.4
219.02977	3.0
221.08128	2.1
234.05434	2.8
235.06087	2.2
237.07645	4.3
247.02348	3.9
249.07660	4.6
251.09241	2.2
257.23224	1.5
261.07639	2.9
262.04803	2.7
265.07166	44.6
266.07458	4.1
277.07178	8.2
279.08847	1.6
295.08182	21.2
325.09262	6.8
341.10870	2.3
355.10336	4.8
357.08240	6.1
401.10876	98.7
402.11206	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	400.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.2
62.96295	0.2
72.94618	0.2
78.95780	100.0
85.12730	0.2
87.76054	0.2
89.02311	0.2
96.96844	12.0
98.20564	0.4
121.02849	1.1
138.90338	0.1
140.01045	0.6
142.67181	0.1
146.89346	0.2
147.56184	0.2
166.17865	0.1
246.38942	0.2
248.24863	0.1
313.07410	0.4
355.32755	0.2
357.50897	0.1
400.22583	16.8
401.09018	0.3
401.23001	2.0
422.06549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30912	0.9
57.03336	1.3
58.00501	1.2
59.01249	9.5
59.65295	1.1
70.06721	2.0
70.07112	3.1
71.01260	7.8
71.04906	1.4
73.02824	2.4
78.75856	1.1
80.02580	1.9
81.03300	1.1
83.04911	5.2
84.02045	2.6
85.02845	3.7
89.02345	5.4
89.46184	1.0
91.03893	3.4
95.04937	2.4
97.02834	1.4
97.06486	2.5
98.20535	1.2
99.00768	1.3
99.04398	2.5
99.08048	2.5
101.02341	2.1
109.02843	1.2
109.06528	2.4
111.08039	1.0
112.05197	1.4
113.02346	1.5
115.07533	2.9
119.03445	2.1
121.06514	1.2
123.00806	1.2
125.09631	9.4
127.07565	16.0
131.83614	1.1
135.08054	4.1
137.09616	2.6
139.07553	2.9
153.09128	44.1
155.10686	2.2
158.65570	1.0
163.11235	3.6
171.10190	10.2
178.09975	6.0
185.11774	20.1
191.10655	2.9
197.11775	10.9
209.11781	72.0
210.12111	4.4
211.13347	1.7
225.11174	1.4
227.12779	1.9
236.10722	1.3
238.12106	2.7
239.16615	2.4
245.19183	3.2
251.16539	2.6
253.18048	1.3
256.13132	2.0
263.20227	2.1
271.17087	1.7
279.19684	2.8
281.21405	1.5
287.74313	1.2
289.18155	15.0
290.18457	1.1
297.20786	2.7
307.19174	100.0
308.19531	11.8
312.15784	9.0
325.20218	64.4
326.20786	5.6
381.22906	10.2
399.23663	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	399.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.8
58.00457	1.7
59.01246	4.6
66.08879	0.8
68.76968	0.9
69.03346	1.2
70.57214	1.0
70.89765	2.7
71.01257	4.2
71.04896	1.7
73.02833	3.2
80.02602	1.6
81.03326	1.9
83.04902	5.5
84.02048	3.0
85.02834	4.3
89.02338	1.4
91.03907	2.5
95.04924	2.4
97.06476	3.4
99.04416	2.6
99.08061	2.6
101.02350	1.0
109.06493	1.6
111.08067	1.4
112.05209	1.5
113.02379	1.2
115.07515	2.2
123.08014	1.3
125.05938	1.1
125.09624	10.6
127.07558	14.4
135.04399	1.0
135.08057	3.4
135.95506	0.9
137.09589	2.2
139.07561	3.3
140.79222	0.9
153.09129	38.1
154.09464	1.0
155.10687	2.7
163.11205	5.2
165.12738	3.3
171.10217	12.6
178.09892	4.8
181.12320	1.0
185.11768	20.8
191.10785	1.9
197.11781	10.2
207.10201	2.5
209.11783	71.0
210.12099	3.2
211.13269	1.6
227.12833	1.5
238.11995	4.4
239.16579	3.3
245.19069	3.3
251.16412	1.6
253.17903	1.2
263.20172	1.7
265.18076	2.2
281.21286	1.9
289.18076	14.8
290.18600	1.9
297.20755	2.4
307.19156	100.0
308.19427	9.3
312.15729	9.9
325.20209	62.7
325.24100	1.8
326.20563	5.6
349.38214	0.9
381.22882	8.4
382.23099	1.1
399.16620	4.4
399.23834	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	399.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.2
58.36139	1.6
59.01260	13.0
70.19081	8.8
71.01241	10.5
72.99183	3.3
73.02821	2.7
83.01275	5.0
85.02848	3.0
86.33652	1.6
87.00774	3.3
91.03884	3.2
97.06482	1.8
99.00752	10.2
101.02338	5.9
109.06491	2.5
111.00757	3.3
112.98692	15.5
113.02320	3.5
115.00289	5.0
120.34373	1.9
142.99765	7.8
173.00864	2.1
174.01624	100.0
175.02257	5.8
177.12646	2.7
205.12198	4.3
209.11790	2.8
211.13393	2.2
219.06645	3.5
237.15021	6.8
281.13968	5.7
307.19299	3.8
325.20221	11.9
399.16583	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	398.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06192	0.7
57.60195	0.7
58.79425	0.6
59.01255	100.0
60.01578	1.3
61.34204	0.7
61.98736	0.7
71.37186	0.9
71.37522	0.9
72.40163	0.6
76.30260	0.6
86.02353	1.0
103.86298	0.6
209.11862	3.0
238.18166	2.3
256.49701	0.8
307.19217	4.4
320.25919	3.2
338.27002	6.8
381.23151	1.1
395.24500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	0.3
59.01253	8.1
64.36342	0.3
70.20112	0.3
71.00085	0.3
71.00429	0.5
71.01257	3.7
72.99183	0.5
73.01058	0.3
73.02834	0.3
85.02824	1.3
87.00794	0.3
89.02316	2.4
92.61555	0.3
95.01299	0.4
101.02342	2.0
113.02338	1.2
115.67100	0.3
119.03397	1.1
134.03635	85.5
135.03911	3.5
148.05226	1.0
149.05988	100.0
150.06316	5.1
161.04538	0.4
176.30800	0.3
179.05591	0.4
190.05006	0.3
191.05655	0.3
202.05086	0.6
203.05818	11.4
204.06606	2.1
218.08157	4.6
219.08565	0.4
220.06105	0.8
221.06793	0.8
222.07607	0.6
223.59470	0.3
236.09201	2.3
248.07750	0.9
343.49307	0.3
352.01559	0.3
354.57791	0.3
398.14584	8.2
399.14670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	0.4
59.01251	4.7
59.69716	0.3
69.94507	1.3
71.01257	3.1
72.99159	0.4
78.29384	0.3
85.02817	0.9
87.00792	0.4
89.02320	2.7
89.91130	0.3
101.02316	1.8
113.02331	1.1
119.03413	0.8
134.03632	82.8
135.03896	3.4
148.05176	1.3
149.05988	100.0
150.06332	4.0
161.04498	0.4
202.05069	0.8
203.05818	8.4
204.06520	1.6
218.04639	0.4
218.08128	3.8
220.05943	0.5
221.06952	0.8
222.07706	0.3
236.09245	1.5
248.07675	0.8
309.22147	0.3
328.18820	0.3
398.14597	13.6
399.14810	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31835	1.1
54.13229	1.1
56.53759	1.3
59.01247	4.7
67.20303	1.3
69.87428	2.6
69.87851	4.4
71.01263	4.3
73.02844	1.4
73.55444	1.1
78.50334	1.1
78.95776	1.3
85.02823	2.1
85.08114	1.3
86.02335	3.1
89.91949	1.2
90.28978	1.1
93.03373	3.3
98.20454	1.9
101.02306	2.1
102.98501	1.4
105.00049	71.2
107.22392	1.2
112.00269	9.6
119.04902	1.2
120.01157	7.6
121.02844	5.7
124.56544	1.4
125.91801	1.1
125.92856	1.1
140.30106	1.3
143.37973	1.4
145.02858	1.6
147.04503	1.8
149.02386	5.7
160.01598	1.9
163.03917	2.6
164.04741	7.2
171.10191	1.5
175.00339	2.0
175.03932	4.7
177.01840	1.4
178.06274	2.2
179.07042	6.6
190.02620	5.1
190.05017	4.0
190.06499	1.6
191.05386	1.2
192.03192	5.6
205.04988	8.9
205.06808	1.4
218.04558	35.6
219.04817	2.8
232.06197	2.3
233.06912	45.2
234.07240	3.2
248.09270	100.0
249.09552	6.0
292.08289	23.7
293.08585	1.9
326.07056	19.8
327.07193	1.7
399.13351	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	398.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32880	0.8
58.81630	0.8
59.01252	7.3
59.50829	0.7
71.01253	1.4
71.37757	1.7
74.37683	0.8
86.02345	1.6
93.03323	1.8
104.76902	0.8
105.00043	67.0
106.00438	0.7
112.00304	4.3
113.02384	0.8
119.04907	2.1
120.01102	4.1
121.02847	4.6
145.02831	1.5
147.04431	1.2
149.02382	4.8
160.01535	2.6
163.03873	2.1
164.04669	3.9
171.10191	5.0
174.05559	0.9
175.03935	2.9
177.01837	1.5
178.06314	0.9
179.07062	3.0
189.20531	0.9
190.02570	1.6
190.04951	4.8
191.05440	0.9
192.03337	2.5
205.05035	4.4
217.03676	1.0
218.04526	35.0
219.04881	2.6
220.09727	2.1
232.06065	1.0
233.06894	47.5
234.07242	2.7
248.09256	100.0
249.09578	6.3
280.08362	1.1
292.08270	26.3
293.08582	2.8
326.07022	22.0
327.07285	1.7
364.80438	0.7
398.09177	2.0
399.13315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	6.0
57.03322	3.3
57.73822	0.8
58.00473	5.0
59.01256	100.0
67.01752	1.2
68.99704	1.0
69.03333	6.8
71.01260	92.9
72.01604	1.6
72.99184	7.1
73.02826	18.2
75.00751	2.1
75.83628	0.8
81.03341	3.6
83.01263	11.6
83.04922	1.3
85.02835	21.3
85.99978	1.8
87.00755	18.2
89.02324	63.8
90.02666	1.4
91.03887	2.2
93.03339	1.6
95.01273	5.6
97.02844	19.3
98.19756	1.9
99.00766	6.7
99.04421	1.1
101.02330	68.2
102.02698	1.1
103.03913	1.6
109.02827	2.0
111.00744	0.9
111.04408	5.7
113.02337	28.6
115.03914	1.8
119.02567	2.0
119.03400	25.7
121.02885	1.6
124.01600	2.3
125.02345	23.2
131.03404	2.5
133.05022	4.8
139.03920	2.8
141.01889	1.9
143.03433	9.7
149.04463	2.9
161.04494	11.4
162.04929	0.9
169.05011	2.1
179.05634	5.1
185.04507	2.4
199.06091	0.8
217.07155	3.1
218.14485	0.9
221.06627	4.6
228.19179	0.8
235.08203	18.7
245.06459	1.0
253.09134	1.6
263.07861	1.8
277.09488	1.5
287.07733	1.5
305.08932	2.8
305.21268	1.6
361.11395	1.9
379.12537	1.8
397.13553	51.8
398.13956	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	397.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
57.03322	7.3
57.67835	1.6
59.01266	14.7
69.03340	2.0
69.20148	1.8
70.44186	6.1
71.01260	24.5
72.99181	5.4
73.02827	5.5
75.00749	28.5
83.01249	2.0
85.02831	39.0
87.00759	10.6
89.02346	2.7
95.01292	3.7
96.44138	2.0
99.00760	13.3
101.02323	10.3
113.02341	30.6
115.00325	2.0
117.01791	1.7
147.06528	5.3
161.04463	3.1
163.03864	1.6
175.02435	2.4
221.10307	5.3
249.06158	2.3
337.11646	1.9
348.57208	1.8
386.00232	2.0
397.13528	100.0
398.13940	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	396.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73875	0.8
59.01255	100.0
59.34751	0.8
60.01593	1.6
61.98711	1.6
62.13748	0.9
65.23102	0.8
69.36697	2.2
69.37110	6.5
78.38586	0.8
79.95633	1.1
82.51669	0.8
87.00755	1.0
88.46492	0.8
96.95885	9.4
99.34400	0.8
100.63941	1.0
105.01827	3.7
111.08060	1.2
139.11185	1.4
142.82051	0.9
152.99483	0.9
196.02832	0.9
201.11357	1.1
211.13599	0.7
253.85687	0.9
267.18225	1.5
271.02530	1.0
299.02087	1.0
299.17447	4.9
318.24261	1.7
335.77072	0.9
336.25571	4.7
389.96246	1.0
396.24136	14.8
397.09131	1.7
397.24585	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03326	3.3
58.00474	1.1
59.01257	20.6
65.33262	0.4
67.01743	1.4
68.99693	3.0
69.03327	2.0
71.01257	23.0
72.99182	7.6
73.02818	2.2
75.00751	27.8
78.95774	0.7
81.03335	1.7
83.01270	1.7
84.02023	0.5
85.02827	25.1
87.00755	8.7
89.02321	5.3
89.92078	0.4
91.03883	1.0
93.03346	1.9
95.01274	6.8
97.02839	0.8
99.00765	13.7
101.02328	0.6
103.00246	3.2
109.02894	1.4
111.00757	1.5
111.04376	0.6
112.01563	0.5
113.02341	31.5
114.02678	0.5
115.00284	2.4
115.03890	0.7
117.01840	4.7
118.94823	0.5
119.04910	0.8
129.01820	3.7
130.99707	0.5
132.04721	0.5
134.04034	0.6
135.74797	0.4
139.00301	0.6
143.03430	0.7
147.04428	100.0
148.04788	4.0
157.01312	1.1
175.02400	3.6
189.04057	1.1
198.58727	0.5
200.99507	0.4
211.13380	0.7
231.05070	7.7
248.63867	0.5
249.06155	64.3
250.06436	4.0
254.60013	0.5
307.34503	0.5
337.09390	0.7
379.10217	3.0
397.11398	59.4
398.11792	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	395.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03243	0.3
58.69299	0.3
59.01247	1.3
62.51837	0.3
67.02464	0.3
69.58641	2.2
71.01258	0.8
91.54971	0.3
93.32835	0.3
99.87997	0.3
116.67589	0.3
117.01836	0.7
127.07537	0.3
135.02925	0.7
201.50409	0.3
233.22755	0.4
233.43173	0.3
265.73267	0.3
275.20306	0.4
277.21729	100.0
278.22076	11.0
284.73947	0.3
306.78824	0.3
395.24319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09069	0.5
50.98603	0.4
51.48633	0.5
58.97756	0.5
59.01247	2.4
69.62258	3.6
71.01267	0.7
75.00732	0.5
75.48021	0.6
78.95789	2.8
88.08809	0.5
114.34225	0.5
117.01788	0.7
135.02927	1.2
152.99483	3.7
169.29787	0.5
204.13882	0.5
277.21725	100.0
278.22098	8.9
322.75061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01584	1.3
65.03858	0.6
66.31448	0.5
67.01762	1.3
69.03345	0.8
69.71278	4.3
71.01267	1.5
81.03339	2.0
83.04907	1.5
85.02846	1.4
87.00798	0.8
93.03339	12.8
93.62341	0.6
95.01290	0.8
106.04147	2.7
107.04924	7.8
108.02066	2.8
109.02847	13.7
111.04403	4.3
113.02332	0.8
119.04919	0.9
121.02883	2.1
123.00778	1.2
123.04515	1.1
133.02855	3.4
135.04428	4.8
137.02347	7.1
145.60899	0.7
155.03426	6.7
161.02359	3.8
173.04483	31.9
174.04910	0.9
179.03435	54.2
180.03694	3.2
191.05603	2.2
215.05588	7.9
233.06639	70.7
234.07021	4.4
315.76251	0.7
335.07715	10.0
336.08203	0.9
353.08920	1.3
356.98383	0.6
372.70209	0.6
395.09805	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	395.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31398	0.8
59.01254	51.2
67.01765	4.0
69.42789	7.1
71.01248	3.3
71.72868	0.6
81.03330	2.0
83.04898	1.3
87.00760	1.2
87.35857	0.7
93.03337	27.1
94.03678	1.6
102.79494	0.7
106.04166	0.8
107.04925	2.8
109.02829	1.5
111.00790	1.4
111.04424	5.9
124.98716	0.8
133.02878	2.0
135.04442	1.3
137.02339	9.9
142.69319	0.8
155.03415	7.1
161.02364	2.0
173.04482	100.0
174.04881	3.8
175.66792	0.7
179.03442	15.9
191.05582	2.0
215.05585	2.2
232.25574	0.8
233.06641	94.0
234.07013	5.0
293.26157	0.8
335.07666	4.4
361.60803	0.7
395.09888	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.4
57.19901	0.3
59.01254	82.4
60.01593	0.7
60.99162	0.3
67.01762	1.3
69.03349	0.5
71.01264	1.4
72.99198	0.4
73.02827	0.4
76.15290	0.3
81.03353	0.9
83.04906	1.4
85.02813	0.5
87.00762	0.7
93.02758	0.7
93.03347	12.0
94.03671	0.4
106.04152	0.9
107.04924	3.9
108.02074	0.5
109.02867	1.3
111.00758	0.5
111.04414	3.3
121.02845	1.1
123.04446	0.6
127.03893	0.6
133.02864	1.8
135.04416	2.1
137.02357	3.9
155.03404	4.4
156.03708	0.4
161.02353	2.7
166.23094	0.3
170.88759	0.3
173.04483	39.3
174.04839	1.5
179.03436	23.5
180.03769	1.2
191.05556	1.8
195.58122	0.3
215.05563	3.5
233.06642	100.0
234.06976	5.7
249.06151	0.5
263.61722	0.4
335.07733	5.7
336.08224	0.5
353.08752	0.5
395.09811	2.8
396.10205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	98.1
64.06297	0.7
67.01781	1.4
69.70348	4.9
71.01268	1.3
71.32372	0.8
83.04887	1.5
85.02862	0.8
93.03336	8.5
94.73914	0.8
98.11804	0.7
106.72199	0.8
107.04980	1.0
108.02006	0.8
109.02841	2.3
110.69743	0.8
111.04407	3.1
124.00257	0.7
128.63878	0.9
133.02870	1.6
133.35793	0.8
135.04468	1.5
137.02357	3.6
155.03407	4.5
155.93471	0.9
161.02364	3.2
173.04480	48.7
174.04860	2.7
177.30344	0.8
179.03429	6.3
191.05589	2.2
198.47057	0.8
233.06641	100.0
234.07008	4.7
335.07858	2.5
395.15375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61494	1.1
58.50703	1.1
58.73202	1.2
59.01253	100.0
60.01567	1.3
67.01757	4.3
69.34718	12.1
71.01259	5.1
72.99193	1.7
81.03330	1.4
83.04914	1.6
85.02822	1.8
87.00755	3.2
93.03336	28.7
95.00692	1.1
98.19729	2.7
106.04115	1.4
107.04911	4.1
109.02827	4.9
111.04414	8.2
133.02841	3.2
135.04381	6.6
137.02345	11.3
155.03419	8.0
161.02357	6.2
168.34836	1.3
173.04474	91.0
174.04826	4.1
179.03419	29.5
180.03731	2.5
191.05518	6.6
192.05957	2.1
208.11549	1.1
215.05612	4.1
221.06432	1.8
233.06631	92.9
234.06860	6.7
335.07724	6.4
395.10098	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77552	1.9
57.03315	4.2
59.01254	23.4
67.25021	1.8
71.03034	1.9
71.57907	3.0
76.14671	1.6
76.15157	2.1
78.95769	1.9
85.18865	2.0
99.08015	3.5
99.92450	4.7
102.44905	1.9
113.09612	6.0
139.11214	4.6
147.11638	2.3
165.12753	6.2
169.12242	3.2
171.10181	8.4
180.21404	1.8
181.12215	3.3
193.12228	2.7
197.11797	10.8
199.13261	2.5
207.09946	5.8
211.13330	15.8
215.10490	5.1
219.09990	20.0
233.11562	44.1
237.09782	3.0
249.13371	3.6
251.11397	11.3
293.12442	15.3
293.21219	12.2
294.12665	3.3
296.34821	2.3
311.22275	100.0
312.22540	10.7
315.19366	7.8
333.20432	17.9
334.20743	2.7
377.19458	6.0
393.21329	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	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.1
59.01254	23.2
61.98701	1.6
69.03290	1.0
70.76987	0.8
74.65839	0.9
78.95779	1.7
95.04891	1.7
97.02844	2.8
97.06469	1.4
99.08035	2.2
99.92464	1.3
113.09602	3.0
123.08018	1.1
125.09621	1.8
129.09062	2.2
139.11185	10.5
147.11713	2.9
153.09224	0.9
163.11293	1.1
165.12762	3.9
167.10715	1.2
169.12265	2.2
171.10222	9.0
181.12248	2.7
183.13864	2.5
191.10622	1.0
193.08421	7.2
193.12329	4.9
197.11766	5.6
199.13306	2.9
207.10005	1.6
211.13387	10.8
215.10631	5.3
233.11571	56.6
234.11896	4.2
237.09734	1.4
249.13525	1.7
249.22075	1.1
251.11401	6.1
253.09244	1.0
254.50423	1.0
259.09583	1.5
276.63458	1.0
279.10825	2.4
293.12433	11.3
293.21222	15.1
294.21451	1.0
311.22293	100.0
312.22714	8.5
315.19379	1.5
333.20523	4.2
393.22144	15.7
394.22565	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	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75423	0.8
59.01257	100.0
60.01591	1.3
60.62372	0.8
69.38165	1.4
69.38567	6.5
71.01261	3.6
73.02797	1.1
83.05518	0.8
85.02831	1.5
89.02309	1.0
89.08441	0.8
101.02333	2.5
113.02341	2.3
129.59700	0.7
146.08186	2.0
161.04489	2.4
166.76581	1.0
193.95760	0.9
277.12366	0.9
331.17715	1.6
352.05521	0.8
391.27328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	42.3
69.03346	2.3
71.01249	2.3
71.57563	2.6
83.04910	3.3
95.04932	2.4
99.92451	5.5
101.02352	1.8
107.42106	1.7
109.06485	2.9
111.08047	41.2
115.91944	2.0
116.92657	2.0
127.07535	3.3
147.11702	2.3
151.11220	6.5
165.12729	7.3
169.12280	9.4
181.12189	2.2
197.11780	100.0
198.12096	5.0
199.13297	3.5
211.13347	10.4
215.10481	3.5
217.08374	2.8
219.09982	84.9
220.10426	3.5
223.11699	2.7
227.12782	2.6
233.11574	37.2
237.09793	3.3
249.13515	6.0
251.11411	26.4
252.11696	3.2
261.10944	1.9
263.20087	5.2
265.18057	3.2
279.10861	3.7
287.16208	4.5
291.19687	15.6
293.12454	33.7
294.12585	5.0
305.04767	2.5
309.20731	73.3
310.21021	7.1
313.17935	1.8
331.18924	28.7
332.18942	1.9
350.03320	2.0
375.18094	2.9
391.19785	19.9
392.20059	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.4
55.58461	0.8
57.03321	0.9
57.75565	0.7
58.00473	1.3
59.01252	100.0
60.01580	1.0
69.91150	1.5
69.91549	3.4
71.01254	29.4
72.99176	2.1
73.02808	4.5
83.01284	3.3
85.02824	8.7
87.00743	2.0
89.02317	20.0
95.01278	2.1
98.20534	1.1
99.00731	1.7
101.02319	20.4
113.02335	11.7
117.08432	0.7
119.03380	8.6
122.37741	0.8
124.53040	0.7
127.02832	0.7
141.09163	2.2
143.03461	1.8
149.04427	0.9
159.02904	1.6
161.04469	7.0
179.05565	1.1
229.18118	2.6
231.96513	0.9
236.02333	0.8
331.17691	1.5
391.23288	9.2
391.26953	1.1
392.24100	0.9
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
59.01254	100.0
60.01564	1.0
62.74826	0.9
63.72478	0.9
69.03312	0.9
69.91872	5.6
71.01257	13.3
71.18736	0.8
73.02834	6.0
77.17589	0.9
79.97803	0.9
83.01247	1.1
85.02824	3.2
86.34880	1.1
87.00784	1.6
89.02323	9.9
99.00773	1.2
101.02334	9.5
113.02349	5.9
119.03374	3.9
161.04384	4.6
179.05559	1.7
187.13370	4.4
256.48972	1.0
314.69284	1.0
331.17651	2.7
344.52304	1.1
349.18674	9.4
350.18948	1.4
391.19275	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.5
59.01254	100.0
60.01587	1.2
71.01255	14.9
72.16493	0.8
73.02828	8.4
83.01267	2.3
85.02833	4.3
87.00749	1.2
89.02315	13.8
89.02831	1.2
99.00748	1.0
101.02332	16.1
113.02341	8.3
119.03376	5.6
121.66313	0.7
131.03416	1.3
135.95195	0.7
143.03453	2.4
149.04468	1.3
153.52954	0.9
161.04462	4.8
179.05582	3.5
187.13329	7.2
203.33119	0.7
229.41078	0.9
331.17688	2.8
349.18671	15.6
350.19104	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	391.1972
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01757	2.0
55.22277	0.5
57.03322	1.8
58.00451	1.3
59.01253	37.5
60.01593	0.5
67.57567	0.4
69.03325	0.5
69.53010	3.8
69.53348	0.8
71.01256	22.1
72.99183	1.9
73.02819	9.7
74.02347	0.4
75.00751	1.1
83.01262	6.2
85.02828	14.4
85.99960	1.2
87.00757	1.3
89.02310	3.3
95.01263	2.2
97.02848	0.9
99.00759	4.1
99.08114	0.5
101.02322	22.4
102.02645	0.5
111.00761	1.9
113.02335	7.8
117.03369	0.4
119.03383	0.8
129.01807	0.7
129.09096	1.8
130.08627	0.6
132.02087	0.8
133.02884	1.2
134.03651	0.7
137.02353	0.6
141.01816	0.6
143.03430	0.6
151.00258	0.9
159.02884	2.0
160.01573	1.5
161.02422	0.8
161.04449	4.0
164.07065	0.8
166.08636	0.7
175.03951	1.7
186.06844	1.2
229.14430	1.4
243.02956	0.5
258.01849	0.7
259.02570	0.6
269.14981	0.5
271.02469	3.3
299.02045	2.4
300.02631	1.1
301.03571	0.8
311.55478	0.8
315.09933	0.6
318.56015	3.8
319.06357	4.0
331.17700	2.1
347.20700	1.9
350.50476	0.4
357.14682	2.0
372.41293	0.5
373.18713	2.5
374.17627	0.8
391.19727	100.0
392.20084	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.8
57.03316	1.3
58.00472	1.0
59.01251	100.0
60.01585	1.2
69.03327	0.8
69.95335	2.1
71.01253	21.9
72.99184	1.0
73.02819	11.8
74.80738	0.4
79.14067	0.5
80.50504	0.4
81.06950	0.5
83.01251	2.8
85.02818	7.5
87.00761	1.0
87.04401	1.3
87.14457	0.4
89.02315	10.6
89.02826	0.7
91.53549	0.4
95.01283	1.9
98.72195	0.4
99.00774	0.9
101.02325	13.3
102.02660	0.5
113.02328	12.4
114.02630	0.6
117.05822	0.4
119.03371	3.9
123.04332	0.4
125.02312	1.0
128.03426	0.4
143.03435	1.4
149.04501	0.7
161.04434	4.9
174.99103	0.4
179.05588	1.0
185.11774	0.6
187.13322	7.2
188.13730	0.5
204.18520	0.4
211.63484	0.5
242.27235	0.4
255.67477	0.5
331.17593	5.2
349.18692	12.1
350.19128	1.2
391.19748	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81351	0.4
52.66228	0.5
56.69779	0.6
57.03322	0.7
57.73287	0.6
59.01252	100.0
60.01585	0.9
65.43912	0.5
70.59377	0.5
71.01249	8.4
73.02824	2.8
83.01283	1.4
85.02812	3.8
87.00758	1.1
89.02335	2.9
95.01255	0.8
98.20552	1.2
99.00768	0.7
101.02327	6.8
104.62691	0.5
113.02341	3.8
119.03451	0.7
119.81116	0.5
125.02347	0.8
128.16377	0.5
143.03464	0.6
159.02899	0.7
161.04466	5.6
185.49660	0.5
187.13281	0.6
310.56366	1.0
331.17651	5.2
332.18161	0.7
391.19827	1.7
391.27280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.8
58.00450	0.9
59.01253	100.0
60.01582	1.4
63.28334	0.8
66.21934	0.8
69.03337	2.1
69.36178	0.9
71.01257	6.6
71.57302	1.7
73.02819	6.8
75.00756	1.6
83.01256	1.5
85.02826	3.4
89.02323	8.3
93.12931	0.9
101.02356	5.4
113.02333	2.9
119.03405	3.7
129.01820	1.3
134.04642	1.7
137.09604	1.1
145.58908	0.8
161.04465	1.6
178.61987	1.0
179.05539	1.3
191.05540	1.6
199.09659	2.8
234.52359	1.1
373.04013	1.0
391.20087	5.0
391.27164	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
70.89303	43.7
80.96402	21.7
208.35458	12.6
210.00177	13.8
329.30850	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	391.153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01255	4.8
69.03326	3.3
71.01251	0.7
71.04909	0.8
75.11465	0.5
77.07458	0.5
78.95787	6.2
83.04920	0.5
89.02366	0.5
95.04908	0.8
98.20496	1.1
109.06455	0.6
110.98428	6.0
125.09663	0.6
149.09616	0.7
152.99532	0.6
157.93132	0.5
162.94788	0.4
167.01094	1.9
167.10735	3.7
179.10692	1.3
179.14334	4.3
185.02170	5.8
195.13870	11.1
196.14188	0.8
205.12306	11.2
205.14082	0.9
206.12547	0.7
223.13370	100.0
224.02646	0.4
224.13687	6.9
231.15230	0.4
391.15179	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	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	87.3
66.45768	30.8
70.89314	100.0
78.74323	35.6
99.93961	35.3
121.93719	34.9
158.82965	40.7
161.95441	35.9
225.42946	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	389.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65088	2.2
57.03328	5.7
59.00992	3.2
59.01259	46.7
71.57315	4.6
80.02557	5.3
81.03364	5.8
83.01281	11.5
83.04921	4.5
89.41926	2.1
95.04923	2.4
97.02846	3.9
97.06470	8.1
109.06467	4.1
123.04410	8.5
123.08054	4.4
125.09623	20.4
135.08101	3.8
137.05971	2.8
137.09657	14.4
163.11195	19.9
165.12813	5.8
167.10651	2.5
175.07434	2.9
181.12216	4.2
185.11732	15.1
191.10783	4.1
191.14365	22.5
197.99121	2.5
207.10132	15.4
209.11787	83.0
210.12099	6.2
211.13455	2.9
221.17816	2.7
225.11205	7.3
231.10004	56.3
232.10422	4.3
233.11656	4.5
245.19107	41.1
246.19394	4.6
263.20148	3.6
271.17133	4.4
277.21475	2.3
289.18121	100.0
290.18466	10.7
291.11810	3.7
307.19150	52.9
308.19373	6.5
317.17252	3.1
329.17377	12.3
345.11191	2.9
360.56561	2.4
389.19302	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	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
52.73275	0.6
57.03310	1.3
59.01245	7.5
61.88283	0.5
70.14175	1.0
70.14591	2.1
71.01260	4.5
72.94684	0.6
73.02801	1.2
79.87994	0.7
85.02837	2.4
89.02306	3.4
95.01276	0.7
101.02311	4.4
111.08053	2.0
113.02332	3.6
119.03360	0.7
133.86928	0.6
142.86118	0.7
157.44318	0.7
161.04506	0.6
165.12773	23.7
166.13074	1.4
183.13835	83.2
184.14183	2.6
197.15356	2.5
207.13882	1.1
209.11789	2.8
225.14874	1.9
227.12839	100.0
228.13193	7.3
251.12862	3.6
269.13959	1.8
291.07654	1.0
350.05692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
57.03313	1.2
59.01252	100.0
60.01590	1.3
68.93700	0.4
69.03350	0.8
71.01255	13.6
72.99200	1.2
73.02818	6.0
75.00759	1.3
81.03322	0.6
83.01250	3.5
85.02818	8.1
87.00752	1.0
89.02357	2.0
95.01286	1.6
97.02863	0.7
97.06499	0.7
99.00784	2.0
101.02326	17.3
102.02649	0.5
111.00729	0.9
113.02339	5.6
119.03464	0.5
125.02356	2.1
129.17268	0.4
134.03690	0.7
143.03445	0.8
150.03200	0.6
159.02975	0.9
161.04454	7.4
173.07509	0.6
185.11774	3.3
186.12122	0.4
205.03517	0.5
227.12849	1.3
229.10936	0.6
245.13914	0.8
274.63644	0.5
280.08585	0.6
295.10959	1.5
299.14981	0.5
313.12042	2.1
327.14609	0.5
329.16055	4.0
347.17126	16.9
348.17715	1.7
357.10962	0.7
359.15643	0.6
389.17917	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.7
57.03326	0.9
58.93935	0.5
59.01254	100.0
60.01586	1.4
62.21422	0.6
69.03358	0.6
71.01259	13.9
71.58237	0.5
72.06736	0.5
72.99199	0.7
73.02824	5.6
75.00766	0.7
83.01263	4.4
85.02827	8.2
87.00754	1.1
87.04411	0.7
89.02320	2.6
94.41978	0.5
95.01293	1.6
95.48769	0.5
97.02887	0.6
97.06466	0.6
97.93047	0.5
99.00774	2.6
101.02326	18.9
104.99863	0.5
105.29388	0.5
108.90480	0.5
111.00761	0.6
113.02337	5.5
119.92196	0.6
125.02364	1.9
129.05083	0.7
135.43225	0.5
143.03433	1.4
159.02989	0.8
161.04472	6.4
175.04007	0.4
185.11807	3.4
205.08722	0.7
207.27917	0.5
227.12932	1.5
245.14157	1.1
249.06125	0.6
253.33405	0.6
295.10974	1.2
313.12067	2.0
329.16101	4.4
347.17120	15.5
348.17548	1.5
357.11069	0.6
389.18069	1.8
394.16498	0.6
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
55.01763	1.1
57.03315	1.5
58.00465	1.0
59.01254	97.1
59.25051	0.5
60.01604	1.1
61.01671	0.8
69.54462	4.0
70.97580	0.6
71.01257	20.6
72.01601	0.8
72.99183	1.1
73.02823	3.3
75.00757	2.0
83.01255	2.6
85.02829	8.1
85.99980	0.8
86.03177	0.7
87.00757	1.8
89.02326	7.3
90.02658	1.2
91.02758	0.6
93.03326	0.7
94.46330	0.5
95.01280	1.7
98.20498	1.0
99.00764	2.0
101.02325	11.9
102.02694	0.6
113.02338	7.3
113.53445	0.6
115.02818	0.5
115.04112	0.5
119.03411	3.0
120.03745	0.7
125.02361	0.6
130.08540	0.6
131.03441	0.8
137.02333	0.8
149.09676	0.8
150.03215	0.6
159.02899	0.8
161.04457	2.0
189.59500	0.5
198.50269	0.6
227.12817	0.7
249.06261	0.8
267.07288	0.9
313.08267	1.0
329.10403	0.5
329.16013	0.9
347.17017	1.3
371.17136	1.0
389.18170	100.0
390.18463	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
57.03322	2.3
58.00460	2.6
59.01254	100.0
69.03334	1.5
69.47216	1.6
69.47618	7.3
71.01257	58.2
72.23837	0.9
72.99197	5.3
73.02446	1.6
73.02826	27.5
83.01254	8.6
84.07511	0.9
85.02831	8.9
87.00738	4.2
89.02325	57.8
89.56382	1.1
95.01253	3.1
99.00745	2.8
101.02331	41.9
101.77316	1.1
102.02714	1.1
104.70750	1.0
108.02078	1.6
109.02805	1.0
109.10004	0.9
113.02338	18.0
117.03336	2.0
119.03392	21.2
119.04836	1.9
123.00764	1.1
125.02325	1.6
127.64381	0.9
130.04114	1.2
130.08562	1.0
131.03406	3.2
134.03633	1.3
135.04395	1.4
136.01573	2.3
137.02351	8.7
139.00238	3.1
143.03423	6.0
145.01794	1.3
145.02846	11.4
145.75632	0.9
147.03302	1.1
147.04422	14.2
149.02414	1.1
149.04488	2.5
151.02802	1.3
151.03920	14.4
152.04652	2.2
153.01779	1.6
153.09128	6.9
158.03644	1.5
159.04425	1.3
161.02328	1.3
161.04445	4.9
161.05922	2.8
162.03075	3.6
163.03909	16.0
165.01793	3.1
166.02615	1.0
166.06265	1.5
167.03365	1.5
167.07018	1.2
167.10687	16.2
168.04053	1.0
169.61610	1.1
173.02368	6.0
173.05972	1.1
174.03159	13.0
175.03932	62.6
176.04710	24.3
177.05490	6.3
179.03412	2.5
179.05554	7.6
180.00584	2.4
180.04208	29.8
181.04669	2.4
185.11734	2.2
188.04752	13.3
189.05507	21.3
190.06294	59.8
191.03380	2.6
191.07065	41.6
192.04149	3.0
192.07410	2.3
193.05006	27.8
194.05786	20.5
195.06126	1.8
198.05345	1.1
202.90439	1.1
203.07123	4.6
205.08653	47.5
206.08952	2.1
207.06552	18.1
208.07375	19.0
209.04353	1.6
209.15437	4.6
219.89691	0.9
223.09683	4.1
227.16501	1.0
271.73776	1.1
329.15958	2.5
338.97519	1.1
347.17157	5.2
359.11288	2.2
359.15140	1.2
374.13770	9.7
375.14261	1.0
389.16000	81.7
389.25739	7.3
390.16376	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	389.1609
Annotation	Flibanserin
Peak:m/z	Relative Intensity
57.03328	1.0
58.00461	1.2
58.87853	0.7
59.01255	37.7
59.37030	0.7
71.01261	26.6
71.57850	1.9
72.99166	1.6
73.02825	12.6
80.19952	0.8
83.01281	4.8
85.02827	4.5
87.00758	2.6
89.02325	18.1
95.01299	0.9
99.00758	1.5
101.02328	17.5
101.03815	1.3
106.24614	0.8
108.02074	1.8
109.02823	2.2
113.02336	8.6
117.03358	2.3
119.03400	6.4
119.04902	3.2
125.02341	1.6
127.49253	0.9
130.04095	1.2
131.03389	1.1
135.04388	1.3
136.01598	4.5
137.02347	8.8
139.00267	2.5
139.03957	1.7
143.03383	1.2
145.02863	12.2
147.04425	17.4
151.00243	1.1
151.03922	17.7
152.04652	2.5
153.01839	2.4
153.05463	0.9
153.09106	2.2
158.03600	1.7
159.04388	2.3
161.02357	2.4
161.04462	2.2
161.06000	3.6
162.03131	2.7
163.03925	23.8
164.04352	1.0
165.01855	3.0
165.05429	1.3
166.06207	2.2
166.75005	1.0
167.03374	1.5
167.06984	1.1
167.10687	9.9
168.32558	1.0
172.53023	0.8
173.02390	6.4
173.05980	1.2
174.03148	19.5
175.03928	81.3
176.04713	27.1
177.05513	8.2
178.99652	1.0
179.03426	3.9
179.05586	1.9
179.07079	0.9
180.00670	1.5
180.04207	37.1
181.04768	1.8
185.11728	1.2
188.04715	12.7
189.05501	30.0
190.06285	65.2
191.03357	1.9
191.07063	56.5
192.04172	3.2
192.07430	3.2
192.34592	0.8
193.04991	32.8
194.05774	26.6
195.06186	1.5
203.07086	6.8
205.08655	58.6
206.08969	3.6
207.06567	23.9
208.07347	22.7
209.04492	1.5
209.07654	1.3
209.15477	1.1
223.09688	5.1
257.04437	0.8
258.72971	0.9
298.04803	0.8
329.16251	1.3
347.17169	2.8
359.11484	1.5
374.13791	10.5
375.13791	1.5
389.16046	100.0
389.25433	4.7
390.16348	14.2
411.50507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39470	41.7
59.01260	100.0
62.35189	38.4
69.97242	38.8
71.01272	63.8
71.57611	51.5
71.57989	65.7
75.81519	41.5
76.55756	43.0
89.02348	47.9
157.42717	42.8
218.24254	41.5
227.90839	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74165	35.2
57.49515	37.6
59.01252	100.0
71.57145	50.7
75.71444	35.8
99.28058	40.6
107.59128	42.3
111.19032	41.8
159.17818	37.8
164.44905	36.6
165.71664	39.9
216.02647	44.7
320.65906	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34834	1.2
55.01756	5.0
57.03313	3.6
58.00460	4.7
59.01251	100.0
60.01582	2.0
69.50333	8.6
71.01254	76.2
71.22367	1.0
71.78452	1.2
72.99182	4.8
73.02827	8.1
73.96798	1.0
75.00774	3.0
75.88029	1.0
83.01271	5.8
85.02824	25.2
87.00761	3.7
89.02319	67.3
93.03337	13.0
95.01259	5.0
99.00751	6.4
101.02322	43.2
103.00181	1.2
103.15199	1.1
111.00770	1.8
113.02325	34.1
115.00235	1.2
119.03391	27.4
127.33399	1.1
131.03410	2.5
137.02333	25.3
143.03419	5.0
143.04411	1.3
149.04427	1.8
150.04796	1.2
151.07590	1.7
152.08400	5.5
159.02898	2.7
161.04488	13.9
179.05533	4.6
189.12793	6.5
207.13887	2.4
225.14934	7.7
249.06143	5.8
265.61160	1.0
367.50052	1.3
387.09372	11.0
387.15924	1.8
387.20313	22.3
388.20523	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	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.2
57.03328	4.5
58.00471	5.5
59.01253	100.0
60.01576	1.1
69.03319	1.1
69.85964	5.5
71.01257	72.4
72.99181	6.1
73.02823	9.1
75.00746	1.4
80.99029	1.0
81.03323	1.0
83.01261	5.9
85.02348	1.4
85.02829	18.9
87.00772	5.0
89.02320	65.3
90.02682	1.4
93.03326	0.8
95.01269	5.0
99.00752	4.7
101.02328	47.7
102.02649	1.6
111.00788	1.0
113.01534	1.1
113.02335	28.0
119.03394	29.4
123.51878	0.9
125.02315	1.1
129.13745	0.9
131.03429	2.0
134.03610	0.9
135.00777	1.0
136.01581	1.3
137.02364	1.9
137.09598	1.0
143.03421	3.8
149.04475	1.8
151.03906	1.5
159.02873	1.2
161.04466	7.4
163.11201	1.0
163.87477	0.8
164.01041	1.3
179.03384	6.8
179.05598	4.2
180.03937	1.1
194.05821	1.5
195.13837	2.1
197.15462	2.0
207.13852	2.7
225.14948	17.3
260.24341	0.9
290.86078	1.0
315.14810	1.2
319.01422	0.9
341.11038	1.1
357.09634	3.0
372.12094	3.3
387.16019	2.3
387.20285	65.4
388.20508	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47625	0.5
55.01758	1.5
57.03331	1.6
58.00468	1.9
58.34960	0.5
59.01252	100.0
60.01590	1.2
60.99160	0.7
67.01785	1.0
68.99669	0.5
69.03341	1.0
69.41534	4.7
71.01256	37.7
72.01584	0.7
72.99180	4.6
73.02818	6.3
75.00758	0.7
81.03326	0.8
83.01263	3.3
83.04909	0.6
85.02825	14.6
87.00761	4.3
89.02322	23.3
90.02637	0.8
91.12910	0.5
93.03347	9.8
94.98337	0.4
95.01272	2.4
95.04951	0.7
97.02837	0.7
99.00755	2.2
99.04434	0.5
101.02322	22.1
102.02647	0.6
107.04964	0.6
108.02071	1.9
109.02878	1.7
111.04411	1.1
112.71399	0.5
113.02331	13.8
114.02669	0.6
117.05534	0.4
119.03390	9.6
121.02837	2.3
121.10148	1.2
123.04428	2.7
125.02361	0.7
127.03887	1.0
131.03430	1.7
133.02870	0.7
137.02385	0.9
143.03473	1.1
149.02376	0.8
149.04430	0.7
151.03888	4.1
153.01772	0.9
159.02893	0.9
161.04456	6.1
163.11192	14.9
164.11526	0.6
165.09097	0.6
173.04472	4.9
177.01883	0.7
179.03398	0.7
179.05556	1.3
189.12801	2.4
191.05545	30.2
192.05830	1.3
195.02898	1.0
207.10213	3.6
207.13928	0.7
211.19582	0.5
225.11284	1.1
225.14964	0.6
236.45744	0.6
240.46265	0.5
247.04597	1.6
274.44293	0.5
341.16684	0.5
387.16586	62.0
388.11780	0.7
388.16882	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	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01741	0.9
57.36789	0.6
58.00466	1.7
59.01257	100.0
60.01604	1.1
69.03337	1.9
69.85902	2.5
69.86314	1.0
71.01260	20.4
72.99204	1.4
73.02818	1.0
83.01273	1.8
85.02827	4.4
89.02325	18.5
90.23856	0.6
95.01270	1.7
96.61312	0.6
99.00795	0.7
101.02320	13.0
109.06498	0.7
113.02332	6.9
119.03387	7.5
127.33010	0.6
128.23940	0.6
143.03319	0.6
149.04488	0.6
163.11197	4.8
164.44150	0.6
179.05463	0.9
207.10216	17.1
208.10545	1.4
215.20236	0.7
278.83218	0.6
294.79932	0.6
307.41623	0.6
387.16632	87.1
388.16998	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	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.54469	0.8
52.24698	0.9
53.08069	0.9
55.01751	2.6
57.03326	2.9
58.00455	1.4
59.01254	100.0
61.28529	0.8
62.52317	0.9
69.03329	1.0
69.40688	5.3
69.41106	3.1
71.01256	42.0
72.99187	1.5
73.02820	27.3
75.00727	1.2
81.03308	1.0
83.01276	7.6
85.02823	12.1
87.00763	1.8
89.02324	9.9
94.38478	1.0
94.61906	1.0
95.01273	3.0
96.05001	0.9
99.00761	3.3
101.02324	29.3
113.02340	14.9
119.03390	3.1
121.10140	10.1
125.02336	1.5
131.03395	2.0
143.03384	1.9
149.04494	1.1
159.02951	1.7
161.04485	14.6
165.09108	2.9
175.07637	1.2
177.05495	1.3
185.20201	0.9
195.68408	0.9
203.07140	1.3
207.13785	1.4
218.30710	0.9
221.08102	1.7
270.70895	1.0
301.16525	6.2
327.14536	2.0
345.15482	2.5
347.73270	0.9
387.16611	13.4
388.17007	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.0
58.00473	0.6
58.24873	0.5
59.01256	67.6
60.01577	0.6
65.25962	0.6
69.03326	1.0
69.83562	3.0
71.01258	21.2
72.99187	0.9
73.02827	2.1
73.44797	0.6
83.01269	1.4
85.02830	4.2
87.00773	0.9
89.02322	19.0
90.02671	0.7
93.03353	1.1
95.01261	1.5
98.19884	1.0
99.00761	1.6
101.02329	15.3
101.49996	0.5
108.05066	0.6
113.02338	8.7
119.03397	7.3
131.03351	0.7
137.02380	2.6
143.03447	1.0
144.79480	0.6
161.04474	2.2
163.11203	15.8
164.11519	0.7
179.05507	0.7
182.59068	0.7
185.00772	0.9
189.12804	1.7
207.10246	13.7
207.13908	0.6
208.10664	1.0
225.11082	0.6
249.05962	0.6
387.16623	100.0
388.16980	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	387.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.8
59.01255	1.7
63.67759	0.5
69.03320	1.1
71.18303	0.7
71.18642	0.7
81.03339	4.4
83.01249	5.9
93.03344	2.4
95.01303	1.3
95.04907	5.9
97.02834	12.1
103.59246	0.6
108.02068	1.1
109.02840	39.7
110.03180	0.8
121.02849	6.2
122.03637	2.2
123.00785	0.8
123.03528	1.4
123.04417	27.5
124.04774	1.4
125.02340	25.1
133.02858	0.8
135.04411	3.2
135.08073	1.3
137.02339	16.2
137.06001	0.9
138.03148	1.3
138.69269	0.6
139.03915	5.7
141.87968	0.6
143.04906	0.7
145.02875	2.2
146.03662	2.8
147.04480	1.1
147.08063	0.8
149.02342	8.0
150.03102	1.9
151.03925	14.6
152.04292	0.7
159.04427	4.0
160.05220	2.6
161.02367	1.9
161.06000	9.6
162.03201	3.5
163.03873	2.1
164.01103	5.6
165.01859	6.2
166.02611	0.7
167.03441	3.0
173.05984	2.3
175.03879	4.4
175.07623	3.6
177.05492	1.9
179.03416	11.2
179.07059	2.6
185.06001	1.8
187.03949	8.2
188.04768	7.0
189.05473	0.6
191.07106	2.1
193.08594	1.0
199.07559	1.1
201.05498	1.7
202.06270	3.6
203.07089	25.0
204.07399	1.6
205.05019	17.4
206.05353	0.8
212.04733	1.1
217.04919	0.9
219.06468	1.2
221.08147	5.9
227.07106	4.6
231.02954	2.2
245.08171	28.7
246.08502	2.1
247.06052	3.8
251.99707	0.7
252.02470	0.6
257.11853	1.2
271.06140	1.1
289.07184	100.0
290.07526	8.6
299.12799	3.2
300.13132	0.6
343.11877	14.8
343.15878	1.1
344.12280	1.6
387.14487	36.2
388.14902	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	64.8
59.57435	1.9
62.18032	1.8
64.87579	1.9
71.01254	22.3
73.02816	16.8
83.01245	4.8
85.02825	8.7
89.02325	9.2
94.81862	2.0
101.02318	13.0
113.02310	7.9
119.04915	5.9
119.08510	5.1
121.10117	2.9
121.26185	2.1
123.00775	7.1
131.04910	3.2
134.03630	2.4
135.04440	2.1
137.02339	3.7
138.03151	11.5
147.04410	3.8
148.05167	6.6
149.05931	8.0
153.05499	18.9
159.04420	16.0
160.05208	21.1
161.04457	6.2
161.05974	6.4
162.03107	4.0
163.07458	3.2
165.01826	9.1
165.05043	2.2
174.03114	4.3
175.07529	5.9
176.04706	3.2
177.05487	100.0
178.06281	22.3
179.03345	3.9
180.04164	6.0
187.03954	13.1
188.04727	11.9
191.07005	17.4
192.04228	2.1
192.07742	8.8
203.03343	2.6
203.07079	64.7
204.07391	3.4
206.05855	17.0
210.05208	12.4
219.06577	2.5
220.07463	5.0
221.08144	67.3
222.08478	4.8
224.06808	22.0
268.07364	4.7
283.09616	3.2
295.06000	2.4
296.06824	2.9
312.06451	2.8
324.06335	3.8
327.08807	3.1
339.08551	7.8
339.12216	2.7
343.11865	3.8
354.10983	4.4
357.13324	7.3
369.13284	17.0
370.13776	2.6
387.14865	11.4
388.15649	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	387.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	2.2
59.01256	1.5
62.28542	0.7
69.41010	7.3
71.01229	0.8
72.04021	0.6
81.03347	2.7
83.01259	3.9
83.04941	0.8
93.03349	1.8
95.04931	3.1
97.02841	7.4
98.20547	1.3
99.04421	1.0
107.04926	0.7
108.02039	1.0
109.02840	26.3
115.00291	2.5
121.02853	2.9
123.04406	16.4
124.01563	0.8
125.02335	14.7
135.04424	2.6
137.02357	7.9
138.82159	0.7
139.03918	3.2
145.02856	1.4
146.03682	1.5
149.02353	5.1
150.03188	0.9
151.03917	10.5
152.04271	0.8
156.06618	0.8
159.04491	2.8
160.05293	1.3
161.02351	1.6
161.05989	6.4
162.03177	2.1
163.03966	2.5
164.01076	3.0
165.01857	5.7
166.02629	0.8
169.29373	0.7
170.99620	0.8
173.05989	1.1
175.02403	3.1
175.03937	2.7
175.07535	1.9
177.05415	0.8
179.03450	6.8
179.07068	2.2
180.03964	0.7
185.06070	1.2
187.03922	5.7
188.04706	3.4
191.07085	1.5
201.05334	1.0
202.06322	2.0
203.07077	16.1
205.05031	13.0
212.04755	0.8
217.08539	0.9
221.08070	4.4
227.07048	1.8
231.02895	1.2
233.07996	0.8
245.08180	21.9
246.08537	1.5
247.06108	2.1
269.14041	0.9
271.06180	1.0
275.12933	0.9
289.07190	100.0
290.07507	6.7
299.12881	2.4
309.62073	0.8
343.11823	14.6
343.15887	1.2
344.11969	1.8
369.13486	1.5
387.14474	38.9
388.14963	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1452
Annotation	Simulanol
Peak:m/z	Relative Intensity
54.10780	0.3
57.03329	2.6
59.01250	0.9
67.01763	0.4
67.52496	0.3
68.99715	0.4
69.03327	0.6
69.32658	3.4
71.01263	0.5
80.02570	0.7
81.03337	2.5
83.01255	4.4
83.04877	0.4
85.02821	0.4
91.05412	0.4
93.03333	1.7
95.01231	0.8
95.04906	4.7
97.02245	0.6
97.02833	8.5
99.04404	0.5
108.02035	1.3
109.02840	33.3
110.03153	0.9
111.08011	0.5
115.05370	0.5
117.03338	0.5
121.02850	4.6
122.03600	1.4
123.04415	22.8
124.01503	0.4
124.04739	0.9
125.02341	19.1
126.02652	0.4
133.02849	0.3
135.04413	3.0
135.08037	0.7
136.01520	0.4
137.02347	10.5
137.05954	0.6
138.03085	1.0
139.03911	5.4
145.02835	1.1
146.03654	2.0
147.04364	0.5
149.02351	8.0
149.09584	0.7
150.03107	1.3
151.03922	12.7
155.83406	0.4
157.06474	0.5
158.03659	0.4
159.04445	3.9
160.05186	2.1
161.02373	1.6
161.04753	0.5
161.06001	8.0
162.03110	2.8
163.03925	2.3
164.01068	3.9
165.01848	5.1
166.02576	0.5
167.03471	2.4
167.04655	0.4
173.05933	1.1
174.03088	0.6
174.06693	0.5
175.03949	2.8
175.07538	3.0
177.05499	1.6
179.03447	7.6
179.07002	1.6
181.04962	0.3
185.06024	1.1
186.06853	0.6
187.03941	6.8
188.04736	5.4
190.02528	0.4
191.07089	1.6
193.08673	1.2
199.07576	0.8
201.05482	1.1
201.09134	0.4
202.06299	2.4
203.03348	0.6
203.07066	17.8
204.07306	0.8
205.04999	13.1
206.05289	0.8
212.04713	1.1
217.05186	0.4
217.08694	0.7
219.06459	1.0
220.07277	0.3
221.08134	4.6
227.07060	2.7
229.05185	0.6
230.05812	1.3
231.02940	1.5
245.08170	23.1
246.08505	1.3
247.06102	2.6
257.11963	0.6
271.06116	1.0
275.12796	0.6
289.07184	100.0
290.07559	7.3
299.13007	2.5
301.14688	0.4
343.11871	15.2
343.15451	0.7
344.12051	1.2
344.15985	0.4
369.13547	1.0
387.14508	35.7
388.14801	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	387.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42862	0.7
55.66274	0.6
57.03315	2.5
66.42999	0.6
69.03340	1.1
70.34014	2.4
81.03333	5.2
83.01248	6.3
83.04877	0.6
83.69776	0.6
91.58945	0.6
93.03332	1.7
95.01277	0.9
95.04894	6.0
97.02831	10.8
98.03133	0.8
98.19837	0.7
108.02031	1.6
109.02840	40.7
110.03162	1.2
121.02855	6.2
122.03613	2.8
123.04417	31.7
124.04763	1.1
125.01443	1.2
125.02338	22.9
133.02817	0.8
133.06491	1.0
135.04430	3.3
135.07999	1.0
137.02345	14.5
137.05960	0.7
138.03107	1.6
139.03072	0.7
139.03932	6.1
145.02837	2.1
146.03667	1.6
147.04472	1.2
149.02357	8.0
150.03093	1.5
151.03925	15.7
157.06538	1.1
159.04457	4.9
160.05151	2.6
161.02325	2.5
161.05986	10.6
162.03140	2.8
163.03914	1.8
164.01068	4.2
165.01849	6.5
166.02505	0.9
167.03406	1.9
173.05940	2.2
174.03194	0.9
175.02580	0.9
175.03899	3.7
175.07544	2.9
177.05492	2.8
179.03442	8.8
179.07039	2.2
180.03804	0.9
185.06024	2.0
187.03954	7.6
188.04720	6.6
189.05365	0.8
190.02728	0.7
191.07106	2.0
198.82361	0.6
199.07484	1.2
201.05507	1.4
202.06337	3.9
203.07074	22.9
204.07458	1.3
205.05023	18.0
206.05412	1.1
212.04720	0.9
218.76546	0.6
219.06633	1.6
221.08145	5.4
227.07088	3.6
229.04993	0.7
230.05684	1.6
231.02969	1.1
233.08151	1.2
245.08173	25.2
246.08525	1.7
247.06117	3.2
257.11801	0.9
271.06097	1.4
280.66525	0.7
289.07193	100.0
290.07535	7.5
299.12979	3.5
325.14481	0.9
328.84674	0.9
343.11902	14.4
343.15503	1.2
344.12225	0.9
369.13101	1.2
387.14520	37.3
388.14960	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09540	0.3
59.01252	4.5
67.46165	0.3
71.01250	4.2
72.99166	1.0
73.02823	1.0
75.00750	2.2
83.01247	0.6
85.02831	2.6
87.00755	0.8
89.02318	1.6
89.48885	0.4
92.06161	0.3
93.03338	43.9
94.03680	1.5
95.01264	0.7
98.52863	0.3
99.00762	1.2
101.02331	1.3
103.00169	0.4
113.02338	2.5
137.02347	100.0
138.02689	3.3
143.73126	0.3
153.01852	0.7
179.03586	0.3
191.05605	2.2
198.23351	0.4
202.05960	0.4
249.06137	17.6
250.06485	0.8
267.07343	0.5
269.07675	0.4
309.22440	0.4
383.97241	0.4
387.09332	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	387.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.7
57.03313	3.7
58.00456	1.1
59.01251	44.0
67.01775	1.5
68.99676	1.4
69.03315	2.3
71.01259	45.6
71.44193	1.4
72.99184	5.9
73.02808	5.7
75.00746	10.5
81.03314	1.4
83.01265	4.0
83.04889	1.1
85.02344	1.8
85.02827	21.4
87.00781	8.3
89.02322	26.8
93.03343	49.9
94.03696	1.4
95.01254	3.6
97.02838	1.1
99.00771	9.6
101.02329	17.4
103.00247	1.6
108.02037	2.2
111.04400	1.3
113.02332	20.6
114.02718	1.5
115.00240	2.0
115.13871	1.1
117.01839	2.3
119.03400	6.6
121.02850	6.7
123.04390	1.9
125.02238	1.1
129.01875	2.7
137.02350	100.0
138.02690	3.7
141.04277	1.0
143.03407	2.3
145.06084	1.5
147.02786	1.1
151.03964	2.2
153.01797	1.4
161.04453	4.3
173.04486	4.3
175.02460	2.5
177.03329	2.6
179.03354	1.0
179.05376	1.2
189.12794	2.8
191.05563	21.2
202.78246	1.0
207.13849	1.5
211.06134	2.1
231.05093	3.6
249.06136	34.7
250.06485	2.8
267.07257	5.4
269.10278	2.0
279.04395	1.2
299.44751	1.1
369.08063	1.5
387.09317	58.1
387.16650	3.7
387.20294	3.1
388.09708	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	387.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.5
57.03313	3.7
59.01255	74.9
65.81756	1.8
68.99698	3.2
69.03329	3.7
71.01257	58.9
71.57549	2.3
72.01574	2.3
72.99194	17.5
73.02806	7.7
75.00763	13.1
80.67672	1.9
81.15684	1.7
83.01273	5.7
85.02827	33.6
87.00758	12.9
89.02322	34.6
93.03339	71.4
93.03926	4.1
93.71024	1.8
95.01249	7.0
97.02785	3.2
99.00789	12.4
99.44467	2.4
101.02328	27.5
103.00242	2.8
108.02039	2.3
109.02836	3.1
111.04391	5.4
113.01608	3.5
113.02328	33.4
119.03413	13.9
121.02834	8.6
123.04398	5.3
127.03944	2.4
131.03381	3.4
137.02353	100.0
138.02768	1.8
143.03442	3.2
143.04543	2.5
145.06065	2.0
149.02341	3.1
151.03897	8.3
151.61926	1.7
155.03436	1.9
157.01270	2.2
161.04462	7.4
163.11183	3.7
173.04501	7.9
177.03276	3.2
187.02441	2.6
189.12749	2.5
191.05556	52.7
195.02890	2.7
199.09584	2.2
207.10262	1.9
225.14940	2.9
231.04964	3.2
249.06139	32.9
267.07153	8.9
269.10361	1.9
309.87231	2.3
369.08240	5.1
387.09323	62.3
387.16522	12.5
388.09576	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	386.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93958	1.9
59.01261	16.8
69.03325	1.9
71.01257	19.4
72.00771	4.8
73.02807	5.2
74.10658	1.8
80.67931	2.1
83.01286	3.7
85.02815	6.6
87.00758	2.8
88.25713	2.0
88.93104	2.0
89.02314	5.9
93.03323	9.4
94.02818	1.9
95.01244	3.4
97.02878	3.3
98.20562	5.8
100.00284	7.8
101.02325	12.2
107.04919	13.9
108.02084	4.8
109.02835	8.1
111.00716	1.7
111.27375	2.2
113.02328	7.1
119.04914	31.9
121.02864	18.9
123.00779	4.7
123.04391	3.2
125.02334	4.7
132.02051	3.2
132.04460	2.3
133.05234	36.4
134.06024	100.0
135.06345	5.6
136.01553	35.2
136.03810	2.1
137.02333	13.6
139.00351	2.4
145.02872	3.4
148.03958	8.1
149.02361	45.3
150.03024	6.2
151.00278	7.9
151.03914	38.6
152.01100	4.5
161.02415	2.5
161.04462	7.5
162.03215	3.4
163.02690	3.6
163.03937	41.6
164.03462	3.4
164.04698	32.8
165.05463	5.0
166.02617	19.5
175.00316	10.1
175.03897	5.2
176.01076	2.1
176.03436	14.1
177.01878	26.4
177.03314	4.1
178.04984	4.0
178.06317	25.1
178.95490	2.1
179.03433	5.0
179.07072	31.9
180.06558	8.1
181.05016	23.5
190.02650	21.4
191.03593	3.9
191.05792	19.0
192.02783	3.9
192.04201	5.9
193.03680	4.7
204.02969	10.3
205.03593	9.3
205.05295	20.7
206.04503	45.1
206.08162	24.5
207.03143	2.6
207.04979	3.9
207.06621	35.2
207.08478	4.6
208.06033	16.7
219.05330	7.8
220.06075	21.5
221.06615	2.2
222.07648	9.0
224.03189	2.4
234.07681	13.8
236.09215	6.0
264.31149	2.1
269.08109	2.4
284.10449	3.4
299.12997	2.8
312.08902	12.9
312.11899	2.4
314.72476	2.1
326.10333	2.9
327.11136	42.4
328.11371	6.5
342.13474	52.6
343.13702	6.9
357.09763	5.8
372.11902	3.5
386.07840	3.2
386.12494	57.0
387.14114	13.2
387.19965	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	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18944	0.7
56.19888	0.7
57.34006	0.6
59.01248	0.8
59.62881	0.6
70.89371	1.6
91.03870	1.2
105.08790	0.6
113.09622	0.7
115.07550	1.0
128.08315	1.0
160.86671	0.6
167.14311	3.1
183.13802	2.2
195.13835	11.2
211.13321	1.0
213.14975	1.3
234.01981	0.7
239.23732	0.8
242.15343	1.0
249.22083	1.2
265.21924	1.0
293.21216	9.4
294.21533	1.2
311.22272	100.0
312.22610	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39993	0.6
57.03312	1.6
58.00463	0.8
59.01255	6.1
69.03330	0.9
69.87373	1.4
69.87797	2.4
71.01247	2.3
73.02820	1.3
77.18362	0.5
81.65704	0.6
83.04875	0.6
89.02320	3.4
91.01685	0.6
91.03879	11.6
97.17509	0.7
99.08040	2.4
113.09608	3.3
127.07556	0.8
129.09111	5.4
139.11168	1.2
151.11134	0.8
153.12779	0.9
165.12669	0.7
169.12256	2.5
171.10173	2.2
181.12245	4.5
183.13838	1.8
193.12303	2.9
195.13742	0.9
197.11758	8.1
199.13329	3.2
211.13348	16.3
212.13666	0.8
225.97360	0.7
265.21695	1.2
275.20102	1.2
293.21210	12.5
294.21637	1.7
311.22278	100.0
312.22617	10.7
385.26099	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	385.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.7
62.76801	0.2
63.27564	0.3
81.80414	0.3
87.62733	0.3
91.03883	1.4
97.06438	0.5
106.48145	0.3
113.09599	0.9
115.07534	1.1
127.07557	0.8
128.08340	0.9
139.11192	0.3
141.49800	0.3
151.96317	0.3
154.09857	0.3
167.14346	3.6
173.00952	0.3
183.13855	2.8
195.13860	11.2
196.14099	0.8
211.13382	0.9
213.14917	0.8
229.14391	0.5
241.14412	0.7
242.15228	0.8
249.22279	1.0
265.21738	1.0
267.23352	0.7
275.20102	0.6
283.22696	0.5
293.21234	9.5
294.21445	0.7
311.22296	100.0
312.22668	10.3
312.25546	0.2
385.25836	1.0
400.17532	0.3
401.19983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2234
Annotation	Oleandolide
Peak:m/z	Relative Intensity
56.13003	0.4
56.54102	0.4
59.01251	3.7
61.71516	0.4
68.62016	0.4
69.94775	2.4
71.01242	0.8
89.02338	1.2
91.03858	2.8
98.19791	0.5
100.37881	0.4
112.08991	0.4
121.02859	0.9
122.03616	1.5
125.02352	0.7
126.03187	0.6
136.05228	0.8
140.44701	0.4
167.14323	3.0
190.16838	0.4
193.15910	1.7
196.97614	0.4
205.09589	0.5
207.17493	1.4
223.20668	2.3
231.17505	1.1
233.15434	0.6
249.18611	8.2
249.21170	0.6
267.19662	100.0
268.20023	6.8
275.16553	11.8
276.16916	1.1
293.17609	65.9
294.17975	5.4
311.18643	11.7
311.22244	1.0
312.19012	1.1
313.71616	0.5
367.21271	6.7
368.21405	0.8
385.22345	45.0
386.22562	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	385.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	1.1
59.01248	3.7
64.18779	0.7
71.01236	0.7
71.04900	0.6
84.24722	0.6
89.02300	1.5
91.03890	2.4
97.06475	0.8
101.02309	0.8
121.02885	1.1
122.03629	1.8
134.60628	0.6
136.05128	1.0
166.57156	0.6
167.14363	3.1
169.12224	1.0
183.13805	0.8
185.11697	0.9
193.15900	1.3
196.71980	0.8
207.17497	1.7
223.20564	2.5
231.17595	0.7
249.18578	8.0
267.19659	100.0
268.20044	8.1
275.16534	10.9
293.17606	75.5
294.17947	5.2
305.24777	1.1
311.15070	1.3
311.18686	13.3
311.22244	2.4
312.19098	1.3
323.25919	1.8
341.27054	3.2
349.24091	1.0
367.21225	7.3
367.25018	1.6
385.22250	38.3
385.26172	19.0
386.22250	5.3
386.26459	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13709	0.9
50.28471	0.9
55.01747	2.9
57.03330	5.9
58.00465	2.0
59.01252	100.0
60.01601	1.1
69.03320	3.6
69.37862	7.5
71.01254	37.6
72.01579	1.1
72.99191	4.2
73.02818	5.9
83.01276	4.4
83.04894	1.5
85.02824	13.9
85.26768	0.8
85.99967	1.1
87.00743	4.9
87.57827	0.7
89.02315	20.4
95.01263	2.9
97.02844	1.2
98.20644	0.9
99.00761	4.2
99.04379	1.1
101.02324	18.3
107.04904	1.5
108.02059	1.4
109.02844	1.9
113.02329	13.8
119.03382	8.9
125.02341	5.9
129.01830	1.0
137.02348	7.0
137.09654	1.5
142.99750	1.2
149.02351	1.3
150.03110	1.3
151.00233	1.6
151.11189	0.9
152.01019	1.5
153.01816	1.3
161.02313	1.0
161.04471	4.6
161.09729	0.9
161.13150	1.2
163.11206	11.1
164.01062	1.0
165.01848	3.4
165.09084	2.1
167.03429	1.3
174.01625	3.9
175.03915	1.4
175.07559	1.2
179.03386	2.0
181.10789	1.7
181.12262	22.4
182.12688	1.4
185.00769	1.0
187.11215	2.9
189.12761	3.8
190.09911	3.5
205.12277	11.9
211.13353	1.4
223.13298	2.4
229.08760	1.0
247.09888	1.7
247.13223	1.3
249.97144	0.9
267.12311	1.8
311.56873	1.0
323.22726	0.9
367.12000	1.2
367.21381	1.7
385.07916	1.7
385.13046	1.9
385.18759	2.1
386.12836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1872
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.85887	1.3
51.81559	1.5
52.65057	1.5
53.28633	1.2
55.01767	2.0
57.03316	1.7
58.00470	5.0
59.01255	100.0
59.98402	1.7
69.03317	3.3
69.28925	15.6
71.01257	75.6
72.99187	7.5
73.02831	1.7
75.00720	1.3
83.01275	6.1
85.02834	12.6
87.00768	5.0
89.02322	92.2
95.01283	5.1
99.04386	11.0
101.02328	40.2
113.02330	28.3
119.03399	33.2
121.02863	2.0
122.03658	3.1
124.01573	1.6
125.02364	2.9
131.03429	4.2
135.04405	2.4
137.02348	22.6
143.03418	5.5
149.04434	2.8
150.03174	4.2
161.04526	2.7
161.13295	5.1
164.01068	1.6
165.01854	24.1
178.50984	1.5
179.03316	2.4
179.05547	8.7
205.12282	66.2
206.12651	7.4
223.09712	5.6
233.90279	1.5
288.06488	5.1
305.15121	4.7
321.71768	1.3
385.13040	4.0
385.18176	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1868
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
55.01761	2.2
57.03321	2.8
58.00463	2.0
59.01251	55.2
69.03315	1.7
69.82770	1.7
71.01254	66.4
71.04910	0.3
72.01581	0.9
72.99174	2.2
73.02820	12.0
75.00750	1.0
81.03326	0.7
83.01251	3.6
83.04898	1.2
83.15022	0.3
84.02048	0.4
85.02824	20.6
86.03156	0.4
87.00732	2.2
87.04420	0.3
89.02318	34.3
90.02674	0.5
95.01257	3.8
95.04893	2.0
96.58423	0.3
97.02827	5.3
98.20519	0.6
99.00753	5.5
101.02323	34.9
102.02654	0.7
105.06995	1.0
107.04936	0.7
108.05692	3.0
109.02831	0.6
109.06507	1.5
111.04415	1.1
111.08027	0.5
113.02330	27.7
113.05962	3.6
113.83607	0.3
114.02688	0.6
119.03392	11.8
119.04248	0.6
120.03720	0.3
121.02811	0.3
121.06456	0.5
122.03593	1.9
123.08054	4.2
124.05223	0.7
125.02346	1.2
125.05985	3.4
129.01837	0.7
131.03387	1.1
135.08063	0.8
136.05208	3.2
137.06003	1.6
138.06766	19.1
139.07565	9.8
140.07860	0.4
143.03394	3.0
147.08043	0.5
149.02354	0.8
149.04488	0.9
149.06006	0.8
151.07555	21.1
152.04770	3.0
152.08339	46.9
153.09119	100.0
154.09460	5.0
159.02914	4.2
161.04468	17.9
161.09630	0.9
162.04842	0.3
163.11162	2.4
164.04683	0.8
165.09119	2.2
167.07040	1.7
170.05779	0.6
175.00296	0.8
175.07578	0.4
179.05519	2.2
179.10649	0.6
185.00865	0.8
187.11215	1.1
189.09172	0.8
190.02669	1.8
190.09917	2.4
205.03374	0.4
205.05019	2.1
205.12276	34.0
206.05681	0.4
206.12636	2.1
223.06096	1.4
223.13347	13.8
224.13673	1.2
229.12357	0.5
265.07129	0.8
295.08240	0.3
325.09183	1.2
385.18594	6.8
386.19116	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82627	1.5
57.03320	2.3
59.01265	8.4
66.68120	1.7
69.46453	1.7
71.01248	8.6
71.45081	2.6
72.99181	15.8
75.00751	2.6
75.04327	1.7
75.61211	1.7
83.01264	4.9
83.04903	4.1
87.00762	3.1
89.02302	1.7
99.00754	12.5
111.00786	3.0
112.51758	1.6
112.98687	20.3
115.00252	4.1
117.01793	2.6
137.02330	8.8
140.01126	1.7
142.99773	32.7
163.03975	2.2
165.01901	2.6
173.00807	13.4
174.01624	100.0
175.02277	6.1
179.14359	1.8
185.19254	1.8
195.13860	4.0
205.12334	6.5
205.16098	1.8
211.13367	24.5
219.13875	2.9
223.13347	30.2
224.13643	2.5
225.14880	2.5
235.13512	2.5
237.11226	3.0
237.14984	3.2
245.11763	3.3
249.11217	2.2
251.12842	2.9
253.14445	2.6
263.12918	12.6
267.12415	24.2
277.14362	2.4
279.12338	2.6
281.14075	2.7
293.14142	2.6
305.13748	2.2
307.11945	12.3
308.12140	2.0
325.13016	3.2
349.12827	3.4
367.14017	20.9
368.14346	3.1
385.13931	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15006	2.6
57.03331	7.0
59.01249	12.0
69.03339	2.8
69.77238	16.4
71.01270	10.8
72.99183	21.6
75.00754	3.5
83.01263	8.2
83.04901	8.0
99.00745	11.5
109.02842	4.8
111.00764	2.8
112.98701	24.0
113.99454	2.8
115.00254	5.3
117.01808	2.9
117.50223	2.0
121.02919	3.7
122.03619	4.0
125.02365	9.8
131.83270	2.7
137.02350	37.6
142.99780	39.3
149.02357	4.7
150.03159	6.0
156.00398	2.4
164.01108	3.1
165.01889	21.3
173.00841	10.5
174.01637	100.0
175.02228	7.3
175.03938	3.4
185.00844	2.4
191.07062	3.2
195.13829	2.6
196.46857	2.6
201.05124	2.3
205.12354	8.3
207.13907	3.9
211.13359	32.3
221.11935	3.5
223.13387	41.3
225.14874	5.1
237.11275	5.7
237.15021	4.0
239.12794	2.7
251.12938	2.9
263.12891	10.7
267.12415	34.1
279.12274	2.8
281.14151	3.8
287.13190	3.1
288.06409	4.2
307.11874	9.2
325.12802	6.6
335.21750	2.5
349.12711	3.5
367.14230	14.7
385.13187	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16885	3.8
55.01742	3.3
57.03324	6.9
59.01254	16.3
61.32666	3.2
66.95265	3.0
69.03341	4.0
71.01257	20.8
72.99190	22.5
74.09346	2.9
83.01266	7.8
83.04920	7.7
85.02855	3.9
89.02325	3.6
95.04902	3.5
96.69116	4.0
97.02789	4.3
98.20592	4.6
99.00764	13.0
109.02850	12.7
112.98708	23.4
116.54939	3.3
121.02785	3.8
123.04426	15.5
125.02368	16.3
137.02345	37.6
142.99765	29.7
149.02357	4.7
150.03125	6.4
151.03891	7.9
153.09045	3.4
155.05118	3.2
156.00581	3.6
161.02454	4.0
164.04694	4.0
165.01900	17.9
173.00874	11.7
174.00189	6.7
174.01630	100.0
175.02438	4.7
175.03926	6.6
179.07112	4.9
183.13812	4.2
185.73863	3.2
190.02554	3.9
191.07034	4.5
195.13911	4.1
203.08237	5.7
205.12334	8.0
207.13785	3.9
211.13338	35.9
212.13834	3.2
219.06448	6.2
223.06052	4.8
223.13377	40.3
224.13832	3.7
235.13350	4.2
255.95949	4.1
261.07654	5.8
263.12894	10.8
267.12363	34.7
287.05493	5.5
288.41037	3.4
307.11829	7.9
323.09134	3.7
325.09503	4.4
341.10370	6.9
367.14203	15.6
385.12747	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	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	5.9
59.01253	9.5
70.54917	11.0
71.01273	10.5
72.99183	22.8
75.80507	2.9
79.45549	2.9
83.01261	6.6
83.04898	5.4
85.02860	3.1
87.00784	4.9
94.81766	3.6
99.00766	16.9
109.02837	4.8
112.22973	3.6
112.98695	21.0
115.00304	5.2
117.01855	4.5
125.02363	5.2
135.02863	4.0
137.02356	9.4
142.99774	31.9
144.58530	3.2
150.21420	3.5
156.00534	5.4
172.99510	3.8
173.00815	15.7
174.01619	100.0
175.02284	8.8
179.14264	5.0
195.13846	5.1
205.12286	7.8
211.13361	39.6
223.13358	44.1
235.13139	4.4
237.14989	4.8
239.12968	4.3
251.12939	3.8
261.07629	3.9
263.12741	16.8
267.12402	35.9
281.13931	4.1
307.11880	8.9
325.12875	7.2
367.13986	14.7
385.14343	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	11.2
59.01255	33.6
68.65202	3.3
69.03340	7.3
69.78392	21.5
71.01259	29.7
72.99187	26.5
82.00610	3.9
83.01272	18.1
83.04906	7.9
85.02834	8.3
87.00774	8.1
89.02329	8.7
93.03367	4.0
95.01292	3.6
95.04878	5.1
97.02826	5.3
99.00776	24.6
101.02331	5.1
108.01959	3.9
109.02852	12.1
112.98693	20.8
113.02388	5.0
115.00288	8.7
117.01836	5.5
119.03411	5.4
121.02861	8.4
122.03670	3.6
123.04359	6.5
124.98738	7.1
125.02364	25.1
135.02951	3.5
137.02351	56.0
142.99770	53.7
146.03632	4.3
149.02361	7.2
149.48399	3.1
150.03146	12.0
151.03932	8.1
154.99756	8.8
156.00578	4.8
159.02866	3.5
161.02315	5.1
161.06076	3.5
164.01039	3.7
165.01816	17.5
167.03416	4.3
173.00830	23.1
173.05968	7.6
174.01625	100.0
174.03137	6.7
175.02330	5.1
175.03891	6.8
175.07564	7.7
179.03436	3.8
183.13747	4.2
185.00868	3.4
187.07498	3.4
191.07158	6.9
195.13828	6.0
200.04674	5.2
205.12370	12.6
207.13858	3.8
211.13332	45.8
212.13950	3.9
217.08836	4.2
219.06664	4.9
221.12039	3.7
223.13358	52.3
224.13748	4.8
235.13374	6.3
237.11403	4.5
237.14996	7.7
239.12848	4.1
247.09756	14.2
249.14973	6.1
263.12823	16.3
267.12363	47.5
288.06348	3.6
305.14111	6.8
307.11938	11.3
325.12878	6.1
341.10358	5.1
349.12961	5.3
355.13971	40.4
356.14551	3.5
367.14484	19.3
385.15411	31.2
386.13025	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	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.3
57.03325	5.6
58.00483	1.1
59.01256	33.4
60.01610	0.8
67.01769	0.9
68.99712	2.6
69.03326	6.5
71.01258	40.2
71.57898	0.9
72.99187	8.0
73.02823	4.6
75.00749	26.2
76.62585	0.6
80.43151	0.7
81.03336	1.0
83.01278	3.1
84.02050	0.7
85.02827	37.1
86.03186	0.9
87.00755	14.0
87.01267	0.9
89.02320	14.2
89.02821	1.0
91.03909	1.9
91.05413	12.0
91.05943	0.8
92.05801	0.8
93.03344	4.0
95.01268	6.5
97.02861	3.0
99.00767	14.8
99.78682	0.6
101.02331	4.0
103.00265	3.5
109.02861	1.3
111.00766	0.8
111.04399	1.1
112.01592	0.9
113.02335	45.3
114.02702	1.0
115.00275	2.1
117.01884	3.6
117.03349	6.2
119.03405	2.9
119.04887	1.0
129.01810	3.5
131.03348	0.8
134.03664	1.3
135.04434	13.7
137.02367	1.3
137.53668	0.6
138.06776	2.0
139.00343	0.8
139.07529	1.2
149.02440	1.2
149.04497	0.7
149.84380	0.8
151.07571	1.8
152.08362	4.4
153.09128	9.2
161.04558	0.8
165.09052	0.7
173.04462	1.3
174.01662	2.5
175.02444	3.5
179.07031	1.0
181.05034	1.0
181.08583	0.9
185.00882	1.7
191.05557	2.5
193.05093	0.8
205.07143	1.4
205.12309	3.7
207.05058	1.3
223.06062	0.9
223.08057	0.7
223.13371	1.5
231.05049	2.3
249.06157	42.2
250.06516	1.9
267.07217	100.0
268.07587	6.1
325.09491	0.9
385.11371	27.7
385.18652	1.1
386.11826	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	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.5
57.03315	3.6
58.00462	1.3
59.01252	27.7
61.23879	0.8
67.01752	1.2
68.99683	2.0
69.03327	4.7
71.01257	33.5
71.57247	1.3
72.01604	0.9
72.34916	0.7
72.99177	6.4
73.02818	2.7
75.00749	19.8
77.92482	0.9
83.01260	2.2
83.04892	1.0
85.02827	33.2
86.38480	0.9
87.00753	11.1
89.02320	10.3
91.03909	1.0
91.05411	12.5
93.03342	2.4
95.01279	7.2
97.02809	2.4
99.00758	11.6
101.02315	5.7
103.00261	2.3
109.02840	1.5
111.04400	1.7
113.02332	36.5
114.02669	1.4
115.00262	2.7
117.01824	2.8
117.03359	3.6
119.03375	1.7
121.02795	1.3
129.01834	3.3
131.03323	1.1
134.03625	0.8
135.04404	11.6
137.02216	1.0
138.06776	2.2
149.04430	1.0
151.07545	2.0
152.08366	3.8
153.09134	8.2
157.01389	1.3
161.04451	1.7
174.01627	3.8
175.02397	2.8
181.04990	1.5
185.00807	2.5
191.05481	2.6
193.04976	1.1
205.07065	1.4
205.12241	3.4
207.04942	2.0
209.06505	1.4
223.06062	1.1
225.00499	1.1
231.04970	2.6
236.14351	0.8
249.06131	42.3
250.06445	2.2
267.07208	100.0
268.07623	5.4
325.09146	1.2
385.11392	32.0
386.11765	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02250	0.8
55.01751	3.3
59.01244	0.9
67.01750	0.7
69.03329	89.0
70.03651	2.6
70.12390	3.8
71.01255	1.5
72.99173	1.3
79.01752	2.5
85.02804	0.9
95.01263	1.0
97.02834	19.0
98.03162	0.7
99.00755	20.8
111.04402	1.7
113.02311	0.7
131.96652	0.7
141.01843	16.5
149.02304	2.1
164.04716	1.5
174.01637	0.8
177.08919	0.7
177.19293	0.8
179.06955	0.7
181.08623	2.2
185.00839	100.0
186.01204	4.3
193.01279	1.2
197.45103	0.8
199.09697	3.9
203.01796	1.5
208.03690	1.4
223.06067	10.2
224.06511	0.8
242.92587	0.8
267.07092	1.0
276.25049	0.7
385.11371	17.6
386.11456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Axitinib
Peak:m/z	Relative Intensity
56.68042	7.8
59.01249	14.0
70.76739	23.7
71.01238	7.5
72.99185	12.6
115.00266	7.5
119.04921	100.0
163.03917	82.6
174.01617	39.8
221.91711	7.7
285.87241	8.9
288.70355	8.2
385.11426	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.0
65.28932	0.9
65.58421	0.8
69.03321	2.7
69.52198	6.7
69.52609	1.6
71.01254	5.8
72.99178	2.0
73.02815	4.1
75.00745	4.3
81.11063	1.1
83.01274	4.7
85.02827	7.5
87.00751	7.2
89.02267	1.0
92.80511	1.0
99.00772	1.9
101.02309	2.7
113.99503	3.5
115.00264	15.8
141.70624	1.1
149.02382	1.1
163.03899	1.0
174.01620	100.0
175.02406	10.5
177.01898	1.4
179.03447	1.7
191.03481	1.5
193.01273	1.1
193.04984	1.2
194.05809	3.3
208.03674	1.5
209.08127	6.8
223.06079	4.5
237.07768	1.2
239.09348	2.4
248.91838	1.1
251.09186	1.4
265.07248	1.2
267.08722	4.4
281.10016	1.2
295.08292	10.5
325.09296	15.3
385.11389	88.0
386.11670	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	384.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40073	2.4
56.97927	2.4
58.99477	100.0
59.01245	8.7
62.58366	2.7
69.03316	14.0
71.01250	6.5
71.57080	2.8
71.59580	3.0
74.00569	6.3
78.96103	3.4
85.02838	3.1
89.02348	2.9
96.91262	2.7
97.02879	3.8
99.00826	2.8
99.98520	12.5
112.00310	7.8
120.99554	30.6
121.02805	3.1
134.03624	31.2
135.04439	32.0
149.02342	8.6
149.05978	26.1
160.01599	5.2
160.03943	3.2
161.02324	3.2
164.04749	4.0
166.00865	4.4
175.03894	7.8
181.03090	4.0
185.00864	11.7
193.01384	6.5
201.04286	12.0
202.04942	4.6
203.05826	12.4
208.03676	3.8
210.25655	2.8
216.06604	16.9
218.02785	3.6
218.08194	15.4
219.08649	2.9
219.42606	2.7
223.06096	9.5
235.03023	8.2
250.05417	45.1
251.05769	4.9
262.07370	15.3
294.04565	4.8
312.05460	5.6
384.12726	3.2
409.73453	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	383.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25371	2.7
51.10472	2.3
57.03318	7.1
58.98150	2.5
59.01252	26.0
65.46700	2.5
67.81606	2.4
71.01247	14.9
71.57250	2.9
72.05996	2.5
82.76030	2.4
83.01266	4.1
83.04903	4.1
85.02836	5.0
87.00723	3.2
89.02317	9.5
91.03902	3.2
93.86866	2.8
95.04870	3.4
100.69311	2.5
101.02339	6.8
105.01800	3.2
111.08041	10.0
113.02297	6.4
113.09684	3.7
125.09621	3.3
127.73080	2.7
151.11201	12.4
163.11082	4.1
165.12756	21.9
167.10690	6.9
179.10684	7.2
181.12254	19.2
191.10771	11.2
193.15967	2.8
195.13919	5.7
209.11794	58.6
211.13382	3.3
247.20740	9.8
265.21741	5.2
275.20215	11.5
281.21280	6.3
291.19684	100.0
292.19998	7.6
309.20700	54.2
310.21222	5.4
312.76578	2.8
341.10947	5.0
378.54489	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	383.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68789	0.8
59.01249	5.2
69.03336	1.7
69.66625	0.8
70.77737	3.0
71.01260	1.9
71.04890	1.0
72.99175	1.2
73.76064	0.8
81.03313	0.9
83.04884	0.8
89.02338	2.6
91.03886	9.5
97.02831	4.8
97.06471	1.1
109.06476	1.2
109.56725	0.7
111.08051	13.2
112.08393	1.2
120.96117	0.8
123.99828	0.8
125.09631	1.6
127.07510	1.3
137.09624	3.1
160.93468	1.2
163.11150	0.8
165.12762	4.5
169.12262	2.6
171.10216	6.9
181.12337	1.8
183.13849	3.1
185.11740	0.9
193.12224	1.8
195.13896	1.4
197.11778	31.2
198.12114	3.3
199.13319	2.4
205.12195	0.8
209.11781	3.6
211.13361	5.4
227.12857	10.4
247.20680	2.6
263.20187	5.2
265.18097	1.7
273.18652	1.3
291.19662	47.1
292.19952	4.3
309.20715	100.0
310.21005	10.0
383.11188	1.0
383.24689	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	383.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	6.6
71.01260	3.1
73.02824	1.0
74.97768	0.5
83.81486	0.5
85.02840	1.0
87.00745	0.7
89.02330	2.4
91.03891	2.1
94.95633	0.6
98.19819	1.0
101.02329	1.1
105.01811	0.8
108.71507	0.5
113.02343	1.0
136.69836	0.5
161.04469	0.7
182.35480	0.5
183.04097	0.5
201.66660	0.6
229.22072	0.6
247.20647	7.0
248.21063	0.8
265.21744	100.0
266.22079	9.2
291.19708	16.4
292.20053	1.1
309.20758	26.7
310.21100	2.5
314.06281	0.8
341.10785	1.0
345.07361	0.5
383.24411	20.6
383.29166	1.2
384.24713	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	6.6
71.01260	3.1
73.02824	1.0
74.97768	0.5
83.81486	0.5
85.02840	1.0
87.00745	0.7
89.02330	2.4
91.03891	2.1
94.95633	0.6
98.19819	1.0
101.02329	1.1
105.01811	0.8
108.71507	0.5
113.02343	1.0
136.69836	0.5
161.04469	0.7
182.35480	0.5
183.04097	0.5
201.66660	0.6
229.22072	0.6
247.20647	7.0
248.21063	0.8
265.21744	100.0
266.22079	9.2
291.19708	16.4
292.20053	1.1
309.20758	26.7
310.21100	2.5
314.06281	0.8
341.10785	1.0
345.07361	0.5
383.24411	20.6
383.29166	1.2
384.24713	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09124	0.9
53.95749	0.8
59.01255	2.5
62.10830	0.7
63.70900	0.8
69.50211	7.2
71.01275	1.0
77.97208	0.8
91.03898	1.9
97.06490	1.5
97.90101	0.8
98.20591	1.7
113.09611	1.8
122.01789	0.8
123.73686	0.8
129.21054	1.0
139.11247	1.1
141.09071	1.0
149.81200	1.1
165.12779	2.9
167.14308	1.5
181.12283	2.5
183.13811	1.2
193.12326	1.3
195.13823	2.6
211.13376	3.3
221.15532	2.2
229.14462	1.2
238.75621	0.9
247.20636	3.8
273.18576	3.1
281.21249	1.5
291.19690	34.9
292.20062	3.4
309.20743	100.0
310.21085	9.7
314.17404	1.6
372.02640	0.8
383.24402	3.7
398.87494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02329	0.6
57.03313	1.2
58.00461	1.5
59.01255	7.4
67.20679	0.6
69.03321	1.2
69.27381	4.7
69.27797	2.4
71.01254	2.9
83.04890	1.4
85.02821	0.8
85.90119	0.6
89.02328	5.0
91.03343	1.3
91.03882	17.3
95.64889	0.6
97.02822	2.6
97.06433	0.8
101.02277	0.7
109.06496	1.0
111.08048	29.8
112.08359	1.2
125.09633	1.7
127.02535	0.7
127.07535	1.8
137.09645	3.2
141.08972	0.7
151.11226	1.1
153.12756	1.9
155.10562	0.8
165.12764	3.0
169.12271	6.4
171.10176	3.3
179.10764	1.3
181.12263	2.9
183.13794	2.8
193.12302	0.7
197.11771	76.0
198.12134	4.3
199.13348	4.6
209.11780	2.8
211.13321	7.7
225.14932	0.9
227.12859	9.0
229.19783	0.7
247.01920	0.6
247.16959	0.7
247.20647	2.5
263.20172	7.6
265.18115	3.5
273.18631	2.7
291.19687	49.0
292.20020	5.4
309.20721	100.0
310.21036	7.6
311.22144	1.0
336.27893	0.7
341.10733	1.1
341.37094	0.6
383.24286	2.4
400.24573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.0
61.31164	1.1
69.46188	10.2
71.01256	2.3
80.32368	1.1
88.31947	1.2
89.02330	2.3
89.57097	1.2
91.03901	9.6
93.07021	1.5
97.02822	2.5
109.06491	1.7
111.08053	25.4
122.02445	1.1
125.09616	1.4
137.09627	4.1
147.94603	1.1
165.12794	3.8
169.12256	4.8
171.10167	5.3
181.12277	1.7
183.13832	1.6
197.11783	56.7
198.12090	4.1
199.13315	4.7
209.11763	2.7
209.15512	1.2
211.13257	3.6
227.12869	11.1
247.20631	1.3
263.20044	3.6
265.18118	3.1
273.18597	3.2
291.19690	50.7
292.20032	4.6
309.20737	100.0
310.21115	9.3
383.24554	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01244	2.3
69.73150	0.7
71.01265	1.2
71.37556	1.1
79.30740	0.5
89.02338	1.1
90.42219	0.6
91.03889	1.7
95.04882	0.7
97.06452	2.1
111.08027	0.7
113.09637	1.5
115.07464	0.9
121.66703	0.6
125.05988	0.9
141.09102	1.3
151.11203	0.8
165.12758	2.6
167.14351	1.4
179.14432	0.6
181.12251	3.0
183.13823	1.0
193.12213	1.5
193.15976	0.6
195.13765	2.7
210.47536	0.5
211.13344	3.6
221.15477	2.7
229.14406	1.1
237.49623	0.8
239.81648	0.5
240.13635	1.0
241.14409	0.7
247.20679	3.9
263.20233	1.0
265.21729	1.4
273.18494	3.3
281.21262	1.6
291.19675	37.9
292.19925	3.8
309.20715	100.0
310.21033	8.4
314.17374	1.0
359.06998	0.7
366.58411	0.6
383.23972	3.0
383.28635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1197
Annotation	Acetyl-maltose
Peak:m/z	Relative Intensity
55.01753	2.9
57.03318	9.0
58.00463	1.6
59.00953	1.5
59.01257	30.8
67.01788	1.5
68.99671	1.3
69.03342	1.5
71.01263	50.3
71.56905	1.5
72.99178	9.0
73.02826	9.8
75.00752	47.2
75.42383	1.4
83.01249	5.6
85.02828	51.3
86.03193	1.3
87.00761	20.4
89.02323	14.2
95.01282	6.4
96.12905	1.6
99.00769	17.0
101.02332	19.4
103.00171	1.4
112.01459	1.5
113.02342	47.8
115.00273	4.9
115.03937	1.7
117.01865	2.6
118.98752	1.3
119.03436	2.3
129.01833	3.0
131.03503	1.8
133.04976	22.4
134.04630	7.9
159.02908	1.3
161.04468	3.0
175.02422	5.8
207.08774	7.9
249.06134	13.6
260.19049	1.5
265.09259	1.6
323.09839	3.4
341.10815	5.1
383.11972	100.0
384.12375	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	383.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78267	3.0
55.01760	5.5
57.03320	5.0
58.99477	7.4
59.01257	43.1
69.03329	3.0
71.01253	48.1
72.99184	5.8
73.02825	6.5
75.00747	31.2
77.57142	2.9
83.01270	5.6
85.02825	35.8
87.00752	33.8
89.02330	18.4
93.74051	2.7
95.01253	5.6
98.20712	4.3
99.00742	13.0
101.02328	13.8
111.00787	3.6
113.02341	42.5
115.00247	5.6
119.03406	3.2
129.63550	3.5
130.98445	3.0
133.04962	57.6
134.04659	9.3
135.04301	7.5
151.76270	3.2
169.61191	3.3
186.51619	3.3
196.69228	3.0
205.92628	3.1
206.06732	3.4
207.08824	6.4
249.06152	43.9
250.05269	4.0
383.07428	6.2
383.12012	100.0
384.12372	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	382.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34583	1.1
57.55092	0.9
59.01257	100.0
98.19766	2.2
113.02368	1.4
116.79745	1.0
144.06593	1.1
149.59203	1.0
175.40977	1.0
175.89619	1.1
276.49448	1.0
287.69308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66039	1.9
57.03319	4.9
59.01254	20.4
61.01672	2.8
71.01261	19.9
71.57153	2.8
72.98773	4.4
72.99183	72.9
73.02766	2.6
75.00762	2.5
85.02823	3.6
89.02322	3.2
90.49770	2.2
93.03349	8.2
98.02363	79.6
101.02354	4.1
107.04907	4.0
117.03360	5.9
117.51059	2.3
119.04922	14.0
120.62610	2.0
121.02847	13.8
134.03682	3.5
134.06046	12.1
135.04463	19.3
139.07573	2.7
144.04466	6.5
147.04430	24.0
149.06003	8.2
151.07536	4.0
157.05261	3.1
158.06030	34.6
159.06317	2.5
160.03951	2.9
161.02347	6.9
163.03963	4.3
163.07538	3.8
165.05499	2.7
165.09117	3.5
174.05511	3.1
176.07092	30.3
179.10738	5.0
193.04927	2.8
202.05043	32.4
203.10672	10.6
220.06137	62.8
220.54951	2.1
221.06499	3.7
221.11801	10.7
233.06786	2.4
278.92191	1.9
322.09283	3.9
382.11469	100.0
383.12134	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	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70127	0.8
52.28093	0.9
59.01251	3.2
70.18293	3.3
71.01260	1.7
71.61237	0.7
73.02803	0.8
74.04539	0.9
78.95776	0.8
80.96405	0.9
84.02129	0.8
87.00780	1.2
89.02361	1.2
90.06921	0.8
95.39925	0.9
98.06004	2.3
100.88294	0.8
101.02333	1.1
126.04565	1.8
126.05500	34.7
127.05866	1.6
128.03441	0.9
132.25371	0.9
144.06569	100.0
145.06967	2.3
166.07335	0.8
211.20634	0.9
255.23289	38.3
256.23669	3.6
274.12405	1.0
295.03702	0.9
382.29568	13.2
383.29794	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.6
71.04878	1.0
71.58050	0.8
74.50355	0.5
75.21914	0.5
78.95778	1.9
96.26369	0.5
99.80482	0.5
102.82401	0.5
108.01358	0.5
127.11178	0.8
130.90750	0.5
151.11191	0.7
152.99518	3.7
153.12701	2.8
163.11217	1.6
165.12744	3.0
170.05772	3.2
175.24825	0.5
179.10707	12.4
180.08073	0.5
180.11070	0.7
181.12268	32.3
182.12582	2.3
195.10237	3.5
196.10641	0.7
197.11816	1.0
199.13336	100.0
200.13664	6.3
215.12817	3.4
217.00107	1.2
222.75671	0.4
363.25330	4.7
364.25845	0.8
381.26382	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79313	27.3
59.01242	40.0
70.62444	100.0
78.95774	54.2
93.70229	24.6
98.19907	32.2
144.77901	30.8
145.06099	50.5
152.99500	51.0
183.17784	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.3
61.94337	0.8
68.71243	0.8
69.44549	6.9
78.95782	6.2
96.96845	0.9
137.05952	0.9
151.07532	2.2
152.99521	8.5
170.05760	4.4
192.11526	1.1
199.13388	2.4
217.00287	2.2
233.19070	2.4
251.20142	2.7
277.18103	83.4
278.18451	7.2
279.19678	29.3
279.21939	0.7
280.20010	2.5
292.19290	0.9
295.19156	100.0
296.19537	10.7
306.17899	1.1
345.24234	1.3
363.25403	18.4
363.29547	1.5
364.25790	2.1
381.22208	0.9
381.26392	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	381.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	5.5
59.01245	8.9
63.93899	1.3
69.03316	1.8
71.01263	4.7
71.37891	1.7
71.38220	1.8
78.95787	2.4
79.09415	1.3
81.03340	2.0
83.04900	3.5
91.03890	2.5
95.04893	1.6
97.02835	1.6
97.06463	15.8
105.16093	1.1
108.75912	1.0
109.06488	3.1
111.08041	5.6
114.63310	1.1
115.15861	1.1
123.04403	4.4
123.08076	2.7
124.93449	1.2
125.09628	4.5
135.08060	1.9
137.05986	1.6
137.09644	2.8
141.60953	1.0
143.93884	1.2
149.09619	2.8
151.11188	10.9
153.12691	1.8
155.10675	3.8
163.07523	1.4
163.11218	7.9
165.12793	7.0
167.10706	3.8
169.12265	1.6
177.12759	3.3
179.10667	5.4
181.12289	11.4
185.11774	4.5
191.10721	4.7
191.14339	8.2
205.12300	2.1
207.10156	3.1
209.11781	28.8
210.12144	2.6
211.13353	2.8
217.00282	4.2
223.54050	1.3
225.11226	2.6
227.12885	2.5
229.20157	1.3
239.09181	1.6
245.19118	22.8
246.19424	2.4
261.18674	2.4
263.20233	8.5
271.17114	3.1
279.19769	2.5
289.18115	68.4
290.18344	7.2
295.19278	1.7
302.62817	1.3
307.19168	100.0
308.19431	10.6
381.22705	5.5
402.76868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97142	0.3
53.53465	0.3
55.51039	0.3
59.01247	2.8
71.58234	0.5
72.99189	6.3
75.00748	7.0
78.95796	0.7
87.00747	1.6
105.01826	100.0
106.02130	1.6
151.11179	0.4
152.99493	1.0
195.14243	0.3
209.11865	1.0
217.00278	0.8
228.06024	0.4
245.19118	0.4
259.51297	0.3
261.18243	0.3
289.18155	0.9
293.21350	1.5
307.19238	1.8
381.22443	0.4
381.26700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81201	11.3
56.23410	11.2
58.77145	10.6
59.01254	44.6
78.95779	42.0
83.04910	12.4
90.34451	10.5
98.19708	19.7
105.75344	10.0
112.37469	11.9
117.01672	10.9
149.39691	10.6
152.99535	100.0
217.00287	27.5
229.26192	12.9
287.16638	11.3
324.39908	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	381.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81519	1.0
57.03331	5.6
59.01245	10.7
69.03337	2.8
71.01258	4.2
71.04882	1.1
72.99159	1.1
80.02530	1.6
81.03325	1.5
83.04900	3.2
88.19705	0.9
89.02333	1.3
89.02934	0.9
91.03887	1.8
95.04909	1.5
97.02837	1.4
97.06468	17.7
105.01786	1.3
106.04144	1.2
108.02094	0.9
109.06493	3.3
110.98254	1.0
111.08032	3.7
119.08501	1.2
123.04392	1.8
123.08006	1.4
125.09618	4.3
137.05981	1.3
137.09628	3.5
138.06761	1.5
141.12770	1.4
149.06042	1.0
149.09633	1.9
151.11177	10.7
153.09122	1.2
153.12709	1.1
155.10652	4.5
159.97296	1.1
163.11197	6.1
165.12761	10.1
167.10667	2.8
169.12273	1.2
177.09160	2.1
177.12741	1.7
179.10663	4.8
181.12285	9.8
185.11787	4.3
189.12827	1.1
191.10709	7.6
191.14351	9.5
195.10030	1.5
197.11664	1.2
204.66231	1.0
205.12268	1.7
207.10173	3.9
209.11783	29.3
210.12051	1.2
211.13336	4.2
217.00220	3.0
217.15883	1.6
224.10548	1.2
225.11157	2.4
227.12759	2.1
228.61108	1.1
230.84885	1.1
237.11237	1.2
239.09241	1.2
245.19086	25.5
246.19402	2.3
261.18512	1.7
263.20126	10.1
271.17068	4.8
277.80975	1.3
279.19626	4.0
283.15488	1.4
289.18097	68.0
290.18396	5.8
307.19131	100.0
308.19504	7.8
381.22913	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	381.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	5.0
59.01246	11.1
69.03311	2.4
69.22620	1.1
71.01257	4.3
71.15610	2.3
71.15960	1.7
77.57524	1.2
78.95770	2.4
79.03373	1.3
80.02544	1.8
81.01081	1.1
81.03337	2.0
83.04905	2.6
85.02772	1.5
91.03884	2.1
93.03365	1.5
95.04907	3.5
97.02842	1.7
97.06480	19.3
97.97815	1.2
101.29373	1.2
105.01834	1.4
106.04116	2.4
109.06466	2.9
111.08028	4.0
122.13288	1.2
123.04408	3.1
123.08033	2.8
125.09607	3.4
134.08963	1.1
135.08054	1.5
137.05936	1.5
137.09599	3.6
137.32616	1.1
138.06660	1.4
142.02650	1.3
149.09598	1.3
151.11211	11.5
153.12730	1.5
153.81708	1.3
155.10675	3.4
160.08934	1.4
161.37721	1.1
162.10434	1.2
163.07645	1.7
163.11179	8.1
165.12764	10.0
167.10713	2.7
169.12192	3.0
172.94995	1.2
177.08936	1.3
177.12735	2.7
179.10666	6.5
181.12294	11.4
185.11765	4.7
191.10678	4.9
191.14308	8.5
194.23105	1.2
195.10085	1.4
197.11809	1.4
205.12265	2.7
207.10222	3.9
209.09895	2.2
209.11790	31.4
209.13763	2.1
210.12057	1.9
211.13194	2.9
214.67233	1.1
217.00227	4.4
217.15871	2.0
225.11208	2.8
239.09148	2.0
245.19109	26.0
246.19374	2.1
248.42836	1.2
263.20166	10.7
264.20303	1.5
271.16983	3.4
279.19638	3.2
289.18097	66.4
290.18478	7.9
295.19193	1.6
307.19147	100.0
308.19489	9.6
381.22867	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	381.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19536	0.4
57.03324	0.8
58.17868	0.4
59.01254	3.7
66.57200	0.4
69.26535	4.3
71.01263	0.9
71.04887	1.7
75.00722	0.5
77.98935	0.4
80.02551	0.5
81.03351	1.5
83.04885	0.9
89.02319	0.5
91.03886	1.6
92.67680	0.4
93.03316	0.6
95.04913	1.9
95.81295	0.4
97.02834	1.3
97.06484	1.1
98.03587	0.6
106.04118	0.8
107.04918	0.5
109.06472	6.9
111.04401	4.1
111.08057	1.2
120.05767	0.4
121.06499	1.0
123.04398	1.3
123.08037	1.8
125.06048	0.4
125.09607	1.7
127.07523	1.4
135.08029	0.8
137.02271	0.4
137.05968	0.9
137.09648	2.9
141.09050	0.4
141.12727	0.8
143.10716	0.9
145.06464	1.3
148.01501	0.4
149.06062	0.6
149.09608	0.7
151.11203	0.7
152.99513	0.5
160.77664	0.4
161.09590	0.6
163.07574	0.6
163.11237	3.5
167.10718	1.2
171.10213	0.5
177.12744	1.1
178.99969	0.5
179.10698	0.8
181.12294	1.4
185.11772	3.7
191.14336	4.1
192.14749	0.6
195.13861	8.8
196.14064	0.5
207.10228	2.6
209.11752	0.8
217.15999	0.4
225.11284	4.6
226.69057	0.6
233.15414	0.7
235.13365	1.2
243.17210	0.4
245.19104	10.5
245.21626	0.5
246.19365	0.8
247.17117	0.7
251.16324	0.6
263.20166	0.6
271.16949	2.0
273.14911	0.9
287.16354	1.1
289.18106	100.0
290.18463	10.1
291.19669	0.6
299.14835	0.5
307.19162	30.9
308.19470	2.8
309.20590	0.4
363.21765	0.8
381.22830	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	380.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01583	1.4
70.99057	1.2
71.01588	3.2
78.95784	5.7
85.22686	1.1
85.86794	1.1
93.83944	1.1
96.15849	1.2
100.08031	1.3
132.84105	1.2
152.99480	5.4
186.62035	1.1
196.15022	1.1
211.64151	1.3
217.00238	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	381.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32616	0.4
57.03332	0.5
59.01250	2.5
61.68624	0.3
67.04010	0.4
69.03323	0.4
71.04900	2.8
77.46200	0.3
80.02544	0.9
81.03323	0.9
83.04891	1.1
89.02322	0.7
91.03884	1.3
95.04930	0.9
98.03606	0.7
98.20525	1.1
98.95425	0.4
106.04166	0.6
109.06483	8.7
109.07188	0.7
109.18108	0.3
109.59351	0.3
110.06836	0.5
111.04421	4.6
111.08046	1.0
112.05147	0.4
119.04898	0.4
123.08039	1.1
127.07526	1.5
132.01538	0.4
135.08041	0.6
137.06024	0.6
137.09619	0.7
143.10687	1.0
145.06500	1.6
149.09618	0.8
151.11177	0.7
163.11110	0.4
167.10701	1.5
172.93062	0.4
177.12744	0.8
179.10713	1.2
181.12404	0.4
191.14320	0.5
195.13853	13.0
196.14197	0.7
204.02786	0.4
207.73495	0.4
215.14407	0.5
233.15431	0.6
235.13382	0.9
243.17320	0.4
245.19077	4.0
249.15004	0.8
251.16513	0.9
271.16959	1.0
273.15219	0.4
287.16660	1.9
289.18103	100.0
290.18430	9.6
307.19162	10.5
308.19550	1.1
381.22815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07696	0.3
57.03330	0.8
59.01252	38.4
60.99173	0.4
64.47675	0.3
67.01763	2.7
69.03339	1.0
71.01261	4.0
71.57948	0.4
72.99181	0.4
75.00751	0.8
79.34630	0.3
81.03355	0.6
83.04901	1.2
85.02825	1.5
87.00776	1.3
93.03338	22.0
94.03687	0.7
108.02091	0.4
109.02859	0.8
111.00777	0.9
111.04398	4.2
113.02350	1.3
117.03374	1.4
119.04916	4.0
129.01878	0.4
135.04442	0.3
137.02344	7.6
144.46138	0.5
145.02826	3.5
155.03409	5.7
163.03940	3.0
173.04477	100.0
174.04822	3.1
191.05566	0.8
233.06635	75.1
234.06972	4.4
235.75215	0.3
249.06110	0.7
267.07260	0.8
276.13953	0.5
300.02795	0.6
319.08243	2.4
320.08157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55389	0.8
59.01250	73.8
67.01756	0.8
71.01250	2.2
76.58266	0.8
93.03330	18.8
98.19659	1.4
111.00739	1.2
111.04385	4.1
117.03349	4.1
119.04924	12.4
137.02354	9.6
145.02850	13.7
146.03185	1.3
155.03389	7.4
163.03914	12.6
173.04472	71.7
174.04819	2.5
191.05525	3.0
198.91682	0.8
233.06625	100.0
234.07018	6.4
319.08246	15.9
320.08484	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24269	0.5
59.01252	100.0
60.01595	1.2
67.01778	1.0
69.53018	4.1
71.01261	1.2
81.03326	0.8
83.04881	1.0
85.02840	0.7
93.03338	8.2
94.41068	0.5
96.60661	0.5
98.20561	0.9
111.04404	4.6
117.03346	2.6
119.04910	7.7
126.71827	0.5
137.02364	1.7
142.65617	0.6
145.02849	9.6
155.03401	3.6
162.03979	0.5
163.03937	5.4
173.04475	28.7
174.04770	0.9
180.51306	0.5
185.55371	0.4
191.05560	1.8
195.97543	0.4
203.09270	0.5
204.10822	0.5
233.06630	71.4
234.06987	3.4
252.82988	0.5
297.18530	0.6
319.08252	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	379.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	61.0
59.79797	0.3
60.01592	0.4
67.01767	0.5
67.89602	0.3
70.49710	1.2
71.01277	0.7
83.04888	0.6
85.02801	0.4
93.03338	6.1
97.53378	0.3
108.33807	0.3
109.02827	0.5
111.04404	2.9
117.03346	1.7
119.04903	4.3
137.02376	1.8
139.53612	0.3
145.02863	5.3
147.18541	0.3
155.03404	2.9
163.03899	4.5
173.04471	32.1
174.04739	0.7
190.55261	0.3
191.05576	1.7
197.51405	0.3
233.06627	100.0
234.06990	4.1
245.14751	0.3
319.08206	12.0
320.08533	0.9
379.10349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54055	0.6
51.89817	0.7
56.68106	0.7
59.01255	32.4
65.92100	0.6
67.01759	1.5
71.01251	1.6
81.03320	0.7
83.04886	0.8
93.03341	13.1
98.19769	1.7
100.54572	0.6
111.00757	0.7
111.04395	2.6
119.04909	2.5
137.02356	5.3
145.02834	2.3
155.03423	5.7
163.03897	3.0
173.04480	86.3
174.04805	2.9
191.05566	0.9
230.28389	0.9
233.06647	100.0
234.07004	4.4
247.04153	0.6
319.08127	4.6
379.10199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00339	0.5
54.72443	0.5
58.02877	0.5
59.01252	59.5
60.99200	0.8
67.01747	2.9
69.03335	0.9
71.01267	2.7
71.57981	0.8
81.03322	0.8
83.04887	1.3
85.02809	1.0
87.00736	1.1
93.03337	35.7
94.03680	1.2
101.02355	0.8
109.02855	0.9
111.04414	5.4
113.02367	1.1
117.03330	3.0
119.02546	0.6
119.04919	16.0
120.05234	0.7
137.02345	21.5
138.02678	1.1
145.02855	15.7
146.03204	0.7
151.00308	0.7
155.03404	8.0
156.03705	0.5
163.03914	12.4
164.04317	0.7
173.04477	100.0
174.04834	3.1
191.05560	3.3
195.15602	0.6
215.05394	0.8
233.06628	98.4
234.07004	5.0
319.04800	1.1
319.08203	12.5
320.08472	1.0
360.61310	0.6
379.10254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
61.97391	1.6
71.01272	11.9
80.82120	1.8
83.16824	1.8
86.49877	1.7
89.02321	17.6
101.02332	8.3
107.70118	1.7
113.02343	4.8
114.90097	1.7
115.70817	2.1
116.02616	2.0
119.03402	6.0
132.72591	2.1
133.93785	1.9
161.04494	2.9
268.03940	2.0
341.10895	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	18.5
70.87586	1.2
70.87931	0.6
71.01273	0.5
78.95775	0.5
89.02309	0.6
95.04899	8.0
97.06467	0.6
113.09635	3.1
179.14401	0.8
181.12331	0.6
195.13852	18.8
196.14264	1.0
217.12083	0.6
224.75108	0.7
225.72827	0.5
233.22614	0.6
246.12440	0.8
247.09557	0.6
249.11212	0.9
249.22299	0.9
263.07776	0.6
277.21756	13.9
278.11343	5.9
278.22089	2.1
279.12036	0.7
281.13733	0.6
295.22797	100.0
296.23138	10.2
299.19958	1.0
315.19452	1.2
317.20987	43.1
318.21365	4.4
338.12149	1.7
361.19897	4.0
362.20557	0.8
377.22192	9.7
378.22409	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27393	3.9
55.25548	4.5
57.90242	4.3
58.67183	4.7
59.01246	31.7
71.01249	20.4
71.56257	7.3
85.18417	4.2
85.83366	5.4
89.02325	41.5
101.02341	11.7
107.49574	4.3
113.02364	7.9
119.03381	11.0
130.41757	4.5
158.18054	5.4
165.52437	4.6
179.05522	24.4
215.03223	17.1
218.96481	5.3
279.00128	5.1
341.10913	100.0
377.08597	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56753	7.5
59.01252	100.0
71.01242	13.1
85.02839	8.5
93.90778	7.9
112.57333	7.7
116.49858	8.1
139.54352	7.9
144.62309	7.8
149.68990	8.1
152.99504	8.1
169.59714	9.2
174.03169	7.7
178.64586	8.2
178.94688	10.0
209.11758	16.5
211.13440	20.8
315.61771	8.4
362.43851	9.2
377.42010	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	41.7
64.13305	1.4
71.01283	1.4
95.04923	5.1
98.19748	3.2
117.00403	2.0
121.10138	28.5
125.09689	2.0
138.20474	1.3
138.21700	1.3
148.48828	1.5
149.09631	1.7
159.01369	2.2
171.10193	62.2
171.23463	1.8
172.10622	1.6
175.71898	1.7
185.11702	2.6
207.10025	1.7
217.00246	4.5
231.21230	5.9
253.09291	4.5
260.62149	1.5
275.20178	100.0
276.20529	7.6
278.11319	10.0
293.21265	74.6
294.21542	5.6
297.18192	1.8
315.19415	37.9
316.19769	3.5
333.19412	2.2
359.18439	6.9
375.20923	32.4
376.20633	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02206	1.3
56.36641	1.6
57.03323	6.6
59.01255	36.1
59.64207	1.4
63.77402	1.5
69.32398	8.7
69.32825	8.6
75.59077	1.5
78.95779	2.1
79.48580	1.4
113.09608	19.2
121.06502	3.6
121.10102	2.2
139.11192	1.9
167.10692	2.5
171.10156	7.6
179.10599	2.7
195.13924	3.7
201.35451	1.7
217.00238	5.1
249.22128	3.0
272.13895	2.9
275.20172	9.5
290.06329	1.8
293.21240	93.1
294.21606	11.0
315.19412	100.0
316.19730	9.1
333.19260	2.3
375.21255	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	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.0
56.42588	0.5
57.03324	1.1
58.00470	1.5
59.01253	46.0
62.86804	0.4
67.80648	0.4
69.49307	2.8
69.49724	1.0
71.01257	29.4
72.99178	3.3
73.02830	1.5
75.00782	0.8
79.43822	0.4
83.01255	1.5
85.02829	7.0
85.38126	0.4
87.00757	1.7
89.02321	23.5
94.32145	0.4
95.01256	2.9
99.00752	1.2
101.02327	16.5
113.02338	8.7
119.03401	7.7
126.11472	0.4
143.03407	0.7
145.12228	0.5
149.84538	0.5
165.03972	1.2
165.12665	0.6
173.04443	0.7
183.13785	2.7
195.13847	13.1
196.14075	0.5
213.14929	4.2
227.12868	1.8
231.36050	0.5
244.33897	0.5
356.94537	0.5
357.19113	0.7
375.20236	100.0
376.15948	0.5
376.20569	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79256	1.3
59.01254	23.1
69.24722	14.7
71.01284	1.4
74.39748	1.5
95.04913	37.8
98.79366	1.2
99.92466	4.9
100.36669	1.5
115.91995	1.4
179.14360	2.1
195.13837	10.9
204.95958	1.4
223.13347	10.8
237.22781	1.5
246.12376	10.6
249.06258	1.5
256.13147	2.6
275.20175	5.9
278.11374	86.7
278.46811	1.9
279.11810	5.1
293.21252	100.0
294.21609	8.6
315.19479	12.7
337.02948	1.4
338.12231	6.3
358.12320	2.4
375.21436	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18837	0.8
60.97399	1.1
62.70819	0.8
65.16314	0.9
67.64448	1.0
82.15484	1.0
93.00027	2.0
94.16351	1.1
95.11274	0.9
98.20569	2.1
129.41479	1.1
143.91148	1.3
159.08372	11.3
161.06308	4.1
209.01245	3.2
217.07277	1.6
277.07437	2.5
289.07559	2.1
291.09122	91.2
292.09238	11.9
309.10077	2.9
357.13919	1.9
359.15375	100.0
360.15530	16.6
375.18491	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97370	0.4
62.13486	0.3
74.98948	1.6
82.14561	0.3
87.34871	0.3
93.00025	1.8
149.00902	0.7
159.08388	10.7
160.08679	0.4
161.06328	3.1
192.98056	0.6
197.04655	0.4
209.01262	2.5
217.07199	1.1
225.00682	0.5
232.92984	0.4
261.04373	0.7
275.05936	0.8
277.07483	2.2
289.07468	1.9
291.09113	93.5
292.09253	11.8
293.06961	0.6
309.10138	2.7
310.10196	0.4
357.13733	2.0
359.15356	100.0
360.15515	16.2
360.30127	0.4
375.18521	4.3
376.18613	1.2
377.16348	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03487	1.8
59.01252	13.7
69.03308	1.8
69.52011	13.1
71.01253	7.2
72.06039	1.6
72.99179	69.7
75.00755	3.0
77.43001	1.4
81.03333	3.9
85.02799	2.1
89.02319	2.6
93.03338	57.1
95.01263	3.1
95.04900	7.4
97.02824	5.3
97.99951	3.2
101.02317	4.1
103.00253	6.8
103.18959	1.8
105.03319	4.7
107.04911	4.7
108.02038	6.7
109.02827	2.3
111.04401	2.7
112.99799	2.0
113.02277	2.4
116.64911	1.6
121.02846	100.0
122.03164	2.5
123.04409	76.1
124.04681	2.2
125.02299	4.7
133.02849	52.3
135.04416	32.5
135.57513	1.9
136.01596	2.3
136.04669	2.0
137.02325	3.4
149.02364	24.8
150.03139	2.6
151.03917	73.7
152.04218	3.5
153.01833	1.8
163.03841	1.9
167.47215	1.5
177.01843	2.6
182.02036	1.9
193.59558	1.6
199.09740	2.4
213.04086	1.8
249.06041	2.4
327.12601	1.7
375.09232	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	373.26
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03315	1.2
58.00462	1.2
59.01250	2.5
69.03320	0.4
69.67787	0.4
71.04884	0.5
73.02820	0.7
83.04865	0.5
85.02839	1.6
87.04398	1.1
97.02834	0.4
97.06475	1.5
98.20586	0.7
98.47201	0.4
101.02362	0.5
109.02866	0.5
110.20814	0.5
111.00798	0.6
121.10083	2.0
123.08048	1.1
125.02326	0.5
125.09604	1.1
139.11211	1.8
141.09172	0.4
141.12733	1.5
151.03908	0.5
155.10681	0.5
157.12257	2.3
163.00319	0.4
167.10640	0.4
169.12251	1.6
185.11749	4.9
199.13284	0.6
203.10588	0.4
213.11302	0.8
214.12025	0.9
215.12852	12.3
216.13290	0.9
285.20999	0.7
295.22809	0.5
298.01282	1.0
310.01141	1.0
313.23807	1.4
325.23804	2.0
326.00735	1.2
327.01480	0.5
327.25464	0.6
337.23749	0.5
341.23257	1.1
343.24866	9.4
344.25137	1.2
355.24829	2.7
358.06857	0.5
371.24390	1.8
373.25958	100.0
374.26334	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	374.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.3
69.18893	0.2
70.63467	0.4
70.63843	0.3
72.34097	0.2
80.73418	0.2
101.05966	0.9
114.67864	0.2
124.07626	0.6
148.05101	0.2
165.10242	0.3
166.01418	0.2
174.99174	0.3
177.53514	0.2
189.10271	0.6
206.12839	0.2
212.91687	0.2
217.00232	1.0
222.61282	0.3
232.10883	11.1
233.11240	0.3
272.17719	0.2
274.15720	0.3
289.17868	1.8
290.18777	2.9
315.20724	0.2
316.16776	1.6
318.18161	0.4
343.15540	0.8
358.21408	0.8
374.24493	100.0
375.24820	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	373.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36121	0.6
59.01251	12.4
64.85148	0.6
67.83589	0.7
71.58047	0.9
75.44777	0.6
93.03331	2.8
125.05946	0.6
141.09169	0.7
148.08864	1.4
150.10405	0.9
163.11195	1.4
165.12766	20.9
166.13133	1.9
175.11220	0.8
189.12764	0.7
223.87598	0.7
229.48457	0.8
244.10759	4.2
247.20627	11.8
248.20966	1.0
273.18564	5.5
274.19095	0.7
291.19669	100.0
292.20007	10.0
313.17816	12.7
314.18121	0.6
373.19958	8.4
374.20514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59890	1.6
57.03325	2.2
59.01257	15.2
67.43635	1.3
71.57981	2.6
73.22536	1.4
121.10130	16.9
125.09648	4.9
141.12718	2.3
168.29456	1.6
185.11807	12.2
185.13156	1.8
197.11768	3.6
207.09940	4.4
218.98761	1.5
245.19141	7.9
264.55219	1.7
291.19681	73.7
292.19995	8.2
292.95145	1.6
298.15387	1.6
298.76599	1.6
313.17862	100.0
314.18140	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	373.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11436	0.2
53.87653	0.2
55.01756	0.5
57.03328	0.7
58.00473	0.2
59.01257	100.0
60.01594	0.9
67.01746	0.2
68.99682	0.2
69.03349	0.2
69.68989	1.2
69.69395	0.3
71.01259	6.8
72.99193	0.9
73.02835	1.9
75.00754	3.4
83.01279	0.4
85.02831	5.6
87.00761	1.5
89.02326	1.3
95.01262	1.2
95.04904	0.2
97.02859	0.3
99.00763	2.2
101.02329	3.4
103.00266	0.3
111.00791	0.3
113.02337	5.6
113.03056	0.3
115.00288	0.4
117.01874	0.4
119.04963	0.3
124.05232	0.3
124.82469	0.2
125.02377	0.3
129.01848	0.5
135.04434	0.2
143.03427	0.3
159.03009	0.4
161.04475	2.6
161.13295	1.1
163.03821	0.2
168.04172	0.3
175.02426	0.3
187.11227	1.0
193.12279	0.4
205.07114	0.4
205.12320	1.1
227.09341	0.5
237.11389	0.7
249.06236	3.1
249.08841	3.4
249.11130	0.2
267.07230	4.5
269.08606	0.2
329.10797	0.2
331.17633	2.9
373.13693	0.2
374.12274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05865	0.8
59.01253	100.0
60.01587	1.1
71.01259	6.4
71.19530	0.8
72.99193	1.5
73.02823	3.3
74.06660	0.7
85.02831	4.3
87.00749	3.5
89.02319	2.0
93.03337	0.9
98.20662	1.5
99.00791	1.3
101.02333	4.7
103.67929	1.0
104.34706	0.9
105.01823	2.8
105.38811	0.7
111.41447	0.9
113.02326	3.6
119.91309	0.8
125.02258	1.0
129.01826	0.8
135.53673	0.7
143.03412	1.0
144.30850	0.8
151.00281	0.9
161.04478	3.0
197.78883	0.8
218.60245	0.8
271.02478	1.3
289.07297	1.2
299.01962	1.0
331.17365	1.6
373.05856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
57.03310	0.8
58.61758	0.5
59.01252	100.0
60.01581	0.8
69.34557	1.5
69.34969	4.2
71.01252	8.1
72.99193	1.5
73.02826	2.1
75.00737	3.2
81.03402	0.5
83.01278	1.2
84.64812	0.5
85.02833	4.6
87.00771	1.5
89.02325	1.6
89.52004	0.6
95.01287	1.2
97.02836	0.6
99.00795	2.1
101.02328	3.3
103.00274	0.6
113.02338	6.3
125.02296	0.7
143.03427	0.6
161.04533	2.3
161.13319	0.9
164.40814	0.5
187.11214	0.6
205.07133	0.5
205.12267	1.0
227.09056	0.6
230.40372	0.5
249.06192	2.3
249.08775	3.1
267.07153	3.3
277.34094	0.5
280.56573	0.6
331.17758	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62030	4.0
57.03312	4.4
59.01257	26.0
66.19185	4.5
67.01766	10.4
69.03326	8.9
69.30856	32.5
69.31287	13.2
71.01255	21.5
71.04829	5.2
73.02825	6.6
75.45269	3.6
81.03347	7.5
85.02787	10.8
87.00748	100.0
89.02348	4.6
93.03346	94.9
99.00781	5.6
101.02326	30.4
102.05495	6.0
105.01846	5.0
110.97591	4.8
111.00797	16.2
111.04408	41.9
113.02348	5.4
114.79029	4.0
121.02872	6.6
125.09576	5.8
128.03410	5.7
129.01839	13.9
137.55225	4.1
146.04506	6.0
147.02878	6.9
151.03844	6.0
173.00873	5.6
173.04462	71.8
181.08633	19.7
191.05559	50.2
199.09692	28.5
311.12140	5.3
373.10590	6.4
373.14978	26.3
374.15195	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	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46026	0.4
59.01259	2.6
59.21018	0.3
70.05879	2.3
71.01257	0.7
85.02841	1.6
94.74390	0.3
109.76996	0.4
109.99995	6.3
111.00824	0.9
113.02352	1.7
113.13829	0.5
124.01572	0.8
125.02350	5.4
136.01617	0.5
137.99492	9.3
139.00284	6.5
140.01067	0.8
151.03963	0.8
152.01093	2.4
153.01846	100.0
153.99039	0.7
154.02628	9.3
155.03343	1.1
166.02617	0.9
167.03413	4.8
168.04204	44.6
169.01363	0.5
169.04991	13.8
179.03439	0.8
191.03468	0.7
194.02164	0.5
209.04469	0.5
211.06071	0.4
281.06506	0.5
310.86087	0.4
373.11292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04826	1.0
57.03328	1.4
59.01252	12.5
67.01748	1.2
68.99685	2.6
69.03319	2.2
69.77027	3.7
69.77438	2.5
71.00895	1.4
71.01254	16.9
72.99181	3.6
73.02812	1.3
75.00752	14.2
81.03311	1.4
85.02821	15.7
87.00742	5.3
89.02325	2.2
93.03300	1.3
95.01284	3.7
99.00771	7.5
100.75829	0.8
103.00269	1.5
104.50254	1.0
105.53625	0.9
111.00743	1.4
113.02339	17.1
116.40009	1.1
117.01812	2.8
122.02369	63.3
123.02745	1.5
153.01822	2.0
175.02391	2.8
189.05698	1.0
210.76210	0.9
212.08939	0.9
231.05060	6.2
249.06140	100.0
250.06409	4.7
372.04810	1.6
372.09338	21.4
373.09961	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	371.2436
Annotation	19(R)-hydroxy-PGF1alpha
Peak:m/z	Relative Intensity
57.03336	1.1
59.01265	2.6
60.67607	0.3
69.86656	1.1
69.87070	0.9
71.01254	0.9
71.04876	0.4
73.02827	1.3
85.02824	1.1
95.04945	0.4
97.06461	3.1
101.02370	0.4
109.02839	0.4
111.61625	0.3
114.88564	0.4
116.77447	0.4
123.08045	1.5
125.09621	1.7
127.11241	0.6
137.09612	1.2
139.11160	2.7
141.12700	0.5
155.10672	1.2
157.12286	1.3
161.04790	0.4
171.10193	1.2
185.11758	16.5
186.12076	0.5
213.11256	1.5
214.12019	2.6
215.12808	2.1
241.14406	0.8
243.16003	3.2
255.16116	1.0
311.22253	1.6
339.21460	0.5
341.23291	6.5
353.23273	1.6
369.23264	0.7
371.24384	100.0
372.24701	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	371.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64039	0.5
55.01756	0.9
57.03333	1.7
58.00472	1.6
59.01255	100.0
60.01582	1.2
60.87286	0.6
69.03334	1.4
71.01259	24.7
71.04907	0.7
72.99191	4.5
72.99556	0.7
73.02825	21.0
75.00766	1.4
81.03323	3.7
83.01268	8.4
83.04906	2.8
85.02831	13.1
87.00745	1.2
89.02324	2.5
97.02847	1.5
98.20572	1.5
99.00774	2.8
99.04414	2.0
101.02332	18.9
101.03007	0.9
103.03902	2.4
109.02863	2.5
113.02352	2.1
116.93180	0.5
119.03397	1.4
121.02885	0.9
121.10122	12.7
123.04388	0.8
127.03906	4.4
128.31499	0.5
131.03407	1.7
137.02350	0.7
138.42992	0.6
145.04977	4.1
165.09143	16.1
167.10706	2.8
183.10178	1.3
189.10036	0.6
229.41907	0.6
311.14996	14.9
312.15436	1.8
318.68002	0.6
329.16101	7.2
330.16449	1.1
371.07645	0.9
371.17126	28.8
372.17578	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	371.1711
Annotation	Aurantiomide A
Peak:m/z	Relative Intensity
57.03332	0.7
58.00475	2.0
59.01254	100.0
60.01595	1.1
69.03328	3.7
69.53587	5.3
71.01257	7.6
72.99179	1.6
73.02829	2.6
75.00755	0.8
81.03326	1.1
83.01276	0.7
83.18901	0.6
85.02822	6.6
87.00745	0.7
89.02322	4.7
94.28321	0.6
95.01286	1.1
97.02853	1.5
98.20519	1.3
101.02338	3.9
103.03921	3.2
103.23063	0.6
107.01292	2.0
109.02817	1.3
110.80126	0.6
119.03378	0.8
121.02814	0.6
123.00774	0.7
123.06767	0.7
124.01521	1.2
125.02368	5.2
125.37770	0.6
134.03535	0.7
135.00813	3.1
139.00249	0.8
151.00279	5.0
152.01044	4.1
163.11243	5.0
166.02635	18.6
167.03430	5.4
168.03831	0.8
177.01831	1.4
178.99812	1.3
207.10210	14.0
208.00047	3.4
208.10513	1.1
209.00832	0.7
209.04416	0.7
225.11189	0.7
285.97934	0.7
353.15939	0.7
371.06433	4.7
371.17087	64.2
372.06750	0.7
372.17374	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	371.1351
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
53.09446	0.3
57.03354	0.3
59.01257	1.7
65.00221	1.1
71.01258	1.1
71.57971	0.4
71.58353	0.4
81.03336	5.4
83.01269	1.0
87.00751	0.3
89.02341	0.4
95.04912	0.5
97.02847	0.8
99.08051	1.5
101.02314	0.4
101.05993	1.1
109.02861	0.6
113.02345	0.3
113.32465	0.3
121.02879	0.3
123.04450	0.5
123.08057	2.6
125.02344	5.2
125.05989	6.4
127.07511	0.5
135.04402	0.3
136.05211	0.7
137.05968	0.3
138.03181	0.3
139.03906	0.5
141.09117	1.0
147.08096	0.8
148.01587	0.4
149.02348	0.9
151.00317	0.8
152.01057	1.0
165.09148	37.8
166.09496	1.6
172.77605	0.3
175.00325	0.6
177.09079	0.4
179.07147	0.4
191.07088	1.4
193.08667	1.2
205.08652	1.2
208.07352	0.5
209.08156	100.0
210.08496	5.0
215.07065	0.8
221.08174	1.1
222.09023	0.9
223.09746	2.7
233.08173	24.9
234.08463	1.7
235.09715	0.4
251.09248	11.0
252.09650	0.7
263.09232	2.7
275.09283	0.4
281.10324	0.3
293.10358	0.4
311.11325	0.5
321.44366	0.3
371.13501	5.8
371.24481	0.9
372.13828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
67.70493	0.9
71.01255	3.8
71.57340	0.9
73.02827	1.1
75.00740	1.1
76.63628	0.8
85.02838	3.2
88.45369	0.7
89.02319	2.5
101.02319	2.1
102.23198	0.8
103.03883	1.1
113.02348	1.9
130.08600	2.7
156.58026	1.0
163.11198	11.7
167.03448	1.4
180.10249	1.6
246.09167	1.2
371.13171	1.0
371.17148	19.9
372.17245	2.7
372.21408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01759	1.3
57.03320	2.3
58.00462	0.9
59.01253	17.3
65.58504	0.8
67.01763	1.2
68.99683	1.1
70.36301	2.6
71.01252	16.6
71.01655	0.9
72.99176	5.9
73.02826	3.1
75.00744	18.0
83.01232	1.1
85.02823	21.7
87.00755	7.7
89.02328	5.3
93.03325	2.0
95.01244	4.9
97.25188	0.7
99.00759	9.2
101.02315	1.4
103.00261	3.8
111.00739	0.9
113.02332	30.3
114.02696	0.9
115.00269	1.5
117.01817	3.3
121.02844	100.0
122.03188	3.0
129.01830	2.4
147.74400	0.8
150.03096	1.5
157.01321	1.2
165.05476	1.1
167.03386	1.0
173.04420	1.0
175.02406	3.6
191.05530	2.2
193.03517	1.5
197.04558	0.9
231.05106	5.0
249.06122	26.8
250.06409	1.6
353.08762	2.0
371.09793	56.8
372.10144	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.1
57.03320	2.9
58.00465	1.0
59.01251	19.6
59.96210	0.4
65.31094	0.4
67.01761	1.7
68.99686	2.8
69.03322	1.8
71.01255	20.7
72.99178	5.9
73.02824	2.5
75.00748	22.3
77.03850	0.5
81.03325	0.5
83.01271	1.6
83.04928	0.5
84.02014	0.5
85.02825	20.9
87.00751	8.2
89.02333	4.9
91.03912	0.6
93.03348	1.3
95.01266	5.9
97.02817	0.7
98.20673	0.9
99.00763	10.9
99.69930	0.5
103.00267	2.1
109.02856	0.9
111.00756	1.4
111.04400	0.8
113.02333	24.3
114.02686	0.6
115.00271	1.7
117.01820	3.4
121.02847	100.0
122.03163	3.2
127.03868	0.4
129.01823	1.4
157.01363	1.0
175.02403	2.8
189.03906	1.0
220.27246	0.5
227.62070	0.4
231.05096	6.4
249.06139	64.7
250.06418	3.1
311.07849	0.4
349.83374	0.4
353.08859	1.2
371.09814	38.4
372.10162	4.3
385.19827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.7
59.01254	4.2
59.97202	0.6
61.41628	0.7
70.59200	0.6
70.78358	0.5
71.01279	1.2
71.21083	0.6
71.21416	1.1
85.51915	0.5
89.02356	2.2
91.03897	7.2
101.63747	0.6
113.09653	1.2
119.04982	0.5
135.39081	0.5
138.06873	0.8
151.07605	1.2
156.60336	0.5
160.36320	0.5
164.08406	0.7
170.05760	3.4
171.10214	3.6
195.13835	7.1
196.14256	1.0
233.19106	1.4
249.18475	0.8
250.83456	0.6
251.20226	2.4
277.18130	100.0
277.21634	13.0
278.18439	11.5
278.21844	1.2
295.15732	1.6
295.19193	52.8
295.22809	66.1
296.19513	6.0
296.23181	5.7
369.22821	72.0
370.23242	7.4
370.27737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3011
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
51.91410	1.0
55.14881	0.9
71.48653	1.9
76.42344	0.9
78.35299	0.9
86.60799	1.0
254.67192	1.2
298.45334	1.0
305.28607	1.0
307.30072	71.3
308.30579	6.2
325.31192	1.8
339.53021	1.0
351.29068	16.2
352.29453	3.1
369.30093	100.0
370.30453	13.8
374.19470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
59.01258	4.8
70.87199	0.5
70.87523	0.6
71.01256	1.0
89.02309	2.8
91.03886	10.0
113.09612	2.1
147.45769	0.4
159.30495	0.5
179.14346	1.3
181.12193	0.6
195.13850	16.9
196.14209	0.9
277.18124	4.2
277.21707	14.5
278.18567	0.5
278.22006	1.2
295.22778	100.0
296.23129	9.5
333.20505	0.8
369.22714	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
71.01256	31.6
71.56239	15.3
73.02824	15.4
76.21088	10.0
83.98392	8.3
85.02821	17.1
101.02332	32.6
113.02309	14.9
237.09770	22.6
238.41541	11.0
260.33441	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	369.2282
Annotation	Thromboxane B2
Peak:m/z	Relative Intensity
57.03309	0.4
59.01248	3.2
61.49825	0.3
62.82039	0.3
63.08003	0.3
63.94559	0.4
69.51163	2.8
71.01260	0.7
84.53896	0.3
89.02311	1.8
91.03889	4.8
98.19753	0.3
109.06483	0.4
111.08051	0.3
113.09624	0.6
137.05922	0.7
138.06767	0.5
151.07587	1.3
164.08286	0.4
165.09146	0.6
170.05748	4.3
171.10178	3.9
181.58452	0.3
195.13863	5.4
208.48256	0.4
233.19138	1.7
251.20180	2.4
277.18109	100.0
277.21561	8.7
278.18463	10.2
278.21997	1.3
295.19165	53.7
295.22781	45.4
296.19507	5.3
296.23135	4.5
369.22824	64.4
370.23120	7.9
370.27567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.4
58.00458	2.2
59.01249	41.0
68.98905	1.3
71.01257	29.5
71.56731	1.7
72.66682	1.4
72.99174	4.3
83.01239	1.6
85.02823	5.9
87.00766	2.8
89.02307	27.8
93.03362	3.6
95.01260	1.7
101.02323	14.8
104.41697	1.5
113.02321	10.8
119.03383	9.5
119.04910	2.1
134.03624	3.7
135.04396	1.5
143.04916	9.1
145.06494	75.4
146.06819	4.7
147.04399	2.4
151.02428	2.1
160.01541	1.6
163.03955	1.8
163.07573	4.8
178.46579	1.4
189.05498	100.0
190.05830	5.6
191.05489	3.8
193.04913	2.2
200.85945	1.3
252.54156	1.6
268.89481	1.6
298.32562	1.4
309.04282	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1341
Annotation	5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone
Peak:m/z	Relative Intensity
54.56274	0.9
55.53889	0.8
57.03322	0.9
59.01240	1.0
69.03313	1.5
69.87141	3.7
69.87537	1.9
72.53664	1.0
81.03356	1.4
83.01254	6.8
87.25213	0.8
92.72538	0.9
93.03344	2.1
93.06982	1.2
95.01242	1.0
95.04903	1.7
97.02829	11.0
98.20474	1.6
105.03355	1.2
108.02048	3.1
109.02841	49.0
110.03099	1.3
110.24671	0.8
117.03385	1.1
119.08529	1.3
121.02842	7.0
121.06470	4.2
122.03609	2.8
123.04415	30.6
124.04777	1.7
125.02374	4.8
133.02823	1.1
135.04410	4.3
137.02333	2.2
137.09566	1.6
139.03912	4.1
139.11134	1.2
143.04967	1.2
145.02873	2.1
146.03639	3.1
147.04382	1.8
149.02361	11.4
150.03076	1.6
151.03929	15.5
159.04449	6.2
161.02359	7.9
161.06003	8.9
161.09604	6.0
162.03159	5.4
163.03889	3.7
163.07591	2.8
163.11224	2.0
165.01839	1.4
165.09142	1.1
173.09610	1.6
174.03098	1.2
175.03886	4.8
175.07545	1.2
175.11205	1.5
176.01103	1.7
177.05463	3.1
177.09114	1.6
187.03920	4.3
188.04677	3.0
189.01904	1.8
189.05518	4.7
189.09152	2.0
190.02585	1.5
201.05472	1.8
201.09190	1.5
202.02557	0.9
202.06180	1.2
203.03419	2.6
203.07054	8.2
205.04999	16.5
205.08641	12.6
206.09097	1.2
207.10208	10.1
213.05530	1.2
215.10744	1.7
217.08612	9.9
219.10233	5.2
227.29184	0.9
230.05815	1.8
231.02980	2.1
231.06546	1.3
231.10257	1.4
240.11401	1.0
244.07437	2.3
245.08180	5.1
246.08887	4.3
247.06087	10.1
247.09683	3.4
259.09714	5.6
281.11871	1.2
283.13455	3.1
301.14459	2.2
307.13409	1.1
325.14459	16.1
326.14877	1.9
329.14908	0.9
351.12347	1.1
369.13431	100.0
370.13782	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18470	1.6
57.03322	1.8
59.01253	4.4
60.99172	4.5
67.01762	6.4
67.06499	1.6
69.03329	2.3
71.01256	6.0
71.15400	4.8
73.02822	1.9
80.50166	1.5
81.03331	4.2
83.04896	1.6
85.02809	10.5
87.00759	17.6
89.03871	1.7
93.03336	68.0
94.03683	1.9
95.04923	3.3
97.02797	2.0
105.00041	1.8
107.04910	4.8
108.02066	6.9
109.02845	14.2
111.04419	9.6
119.04922	5.4
121.02836	1.8
123.04404	33.0
125.02347	5.3
127.03912	3.0
129.01820	4.0
133.02840	15.8
135.00810	2.3
135.04443	1.9
149.02414	4.6
151.03909	28.9
171.02907	2.3
173.04478	39.2
177.01866	10.0
184.51097	1.6
185.19307	1.6
191.05542	100.0
192.05846	2.7
195.02881	16.9
219.08578	2.5
325.09250	1.7
355.04126	1.6
369.08173	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	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.8
60.99157	3.1
65.50433	1.3
67.01757	9.9
69.03342	3.9
71.01258	6.8
71.35237	1.2
71.58115	1.8
73.02827	4.7
75.00756	1.6
78.95805	1.4
81.03334	3.2
83.01284	1.8
85.02819	9.5
87.00752	16.9
89.03825	1.8
93.03337	77.6
95.04921	3.1
97.02810	2.3
99.00773	1.6
101.02359	2.3
105.03384	1.8
108.02075	6.7
109.02836	5.4
111.04400	10.0
113.02310	2.3
119.04920	4.5
121.02855	4.8
123.04420	39.1
124.04765	1.7
125.02365	2.8
127.03872	2.2
129.01794	3.4
133.02863	20.1
141.01877	1.5
147.04425	7.1
149.02357	5.1
151.00266	1.5
151.02670	2.0
151.03915	30.5
155.03406	2.5
163.03862	3.3
165.01843	11.0
165.05463	5.7
173.04480	61.0
174.04836	2.2
177.01875	5.9
190.99832	1.9
191.05556	100.0
192.00728	3.5
192.05902	4.7
195.02921	22.8
196.03275	1.3
207.02980	3.8
296.55814	1.6
299.01968	2.3
300.02704	2.0
301.03763	1.4
306.23920	1.4
369.08273	26.6
369.12592	1.2
370.08429	3.1
391.22733	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18470	1.6
57.03322	1.8
59.01253	4.4
60.99172	4.5
67.01762	6.4
67.06499	1.6
69.03329	2.3
71.01256	6.0
71.15400	4.8
73.02822	1.9
80.50166	1.5
81.03331	4.2
83.04896	1.6
85.02809	10.5
87.00759	17.6
89.03871	1.7
93.03336	68.0
94.03683	1.9
95.04923	3.3
97.02797	2.0
105.00041	1.8
107.04910	4.8
108.02066	6.9
109.02845	14.2
111.04419	9.6
119.04922	5.4
121.02836	1.8
123.04404	33.0
125.02347	5.3
127.03912	3.0
129.01820	4.0
133.02840	15.8
135.00810	2.3
135.04443	1.9
149.02414	4.6
151.03909	28.9
171.02907	2.3
173.04478	39.2
177.01866	10.0
184.51097	1.6
185.19307	1.6
191.05542	100.0
192.05846	2.7
195.02881	16.9
219.08578	2.5
325.09250	1.7
355.04126	1.6
369.08173	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	369.0614
Annotation	Meliternatin
Peak:m/z	Relative Intensity
51.01578	1.0
55.65297	1.1
57.03312	1.2
59.01235	3.5
59.92916	1.0
61.21852	1.0
66.36475	0.9
68.08802	1.3
71.58455	1.7
75.60349	1.1
78.32676	1.3
88.84534	1.0
135.02808	1.4
137.09589	1.1
212.01093	1.2
251.12837	2.1
253.01334	1.4
268.00204	4.2
281.00873	7.5
282.01596	6.5
295.02582	3.0
295.99622	66.4
296.99936	4.4
309.00180	1.4
310.01169	8.9
311.01965	51.7
312.02307	3.8
321.00348	2.8
323.01886	1.8
323.99109	10.8
325.03485	2.7
326.04358	18.4
327.04819	2.8
338.00769	4.7
339.01382	21.1
340.01895	2.7
353.02994	9.3
354.03818	96.6
355.04214	7.1
357.02567	1.7
369.06152	100.0
369.22473	5.5
370.06488	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	368.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	5.4
68.57265	0.4
71.01247	3.0
71.56814	0.5
71.57227	0.7
77.49905	0.5
78.95758	0.4
83.01273	0.7
85.02837	0.9
87.00775	0.7
89.02314	2.0
93.03336	1.3
101.02313	1.2
102.30574	0.5
113.02336	0.7
119.04919	100.0
120.05244	3.8
123.04405	0.6
130.04128	2.5
131.04915	0.8
134.03629	0.6
144.04462	1.0
145.06534	1.4
154.68137	0.4
158.06029	1.1
162.05476	0.7
188.07123	5.2
189.05559	1.4
191.05573	1.1
192.05818	0.6
194.05444	0.4
206.08203	0.7
248.07849	0.5
275.63745	0.5
368.13547	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	368.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07878	0.2
52.30641	0.2
58.00454	0.2
59.01251	2.8
71.01256	1.8
71.15818	0.3
71.16164	0.3
72.99230	0.2
73.02846	0.3
76.85924	0.2
79.39722	0.2
80.10528	0.2
83.01273	0.3
85.02832	0.5
89.02335	1.4
93.03362	0.5
101.02317	1.0
113.02359	0.6
119.04919	100.0
119.38483	0.2
120.05251	3.8
130.04150	1.9
131.04904	0.4
140.07047	0.2
144.04453	0.8
145.74615	0.2
158.06021	1.0
173.04526	0.2
177.02025	0.2
188.07103	4.1
189.07419	0.2
191.05528	0.3
206.08185	0.7
248.07724	0.5
266.20142	0.2
368.13495	7.3
369.13867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70192	1.0
55.01738	1.0
59.20069	1.1
70.49563	3.6
105.00047	69.2
106.00394	1.5
112.00285	5.1
120.01140	3.5
134.03636	6.9
139.64067	1.1
147.04477	1.1
148.05191	5.7
149.05966	2.4
159.04449	2.2
160.01572	2.3
160.05182	3.5
175.03923	5.2
177.01701	1.2
190.08717	1.8
192.03290	2.3
202.05006	4.9
203.05823	47.3
204.06204	1.6
218.08183	100.0
219.08524	6.7
262.07187	33.1
263.07425	2.0
296.05994	30.4
297.06226	2.5
326.19138	1.1
368.08023	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	368.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41392	1.5
51.73523	1.5
56.79062	1.3
70.35078	5.1
71.01262	1.6
71.78846	1.5
86.02361	1.8
98.20477	1.6
105.00045	71.4
112.00287	10.8
120.01136	8.8
134.03584	7.7
145.02864	2.3
148.05196	5.1
149.05989	4.6
149.41130	1.4
153.31358	1.5
159.04469	2.0
160.01573	4.1
160.05234	2.6
162.03241	1.7
168.92958	1.6
175.03958	9.2
191.05603	3.0
192.03244	3.1
202.05067	2.4
203.05806	42.4
204.06165	2.7
218.08173	100.0
219.08510	6.1
235.96761	1.9
262.07205	27.9
296.05945	22.7
374.54517	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09724	0.6
55.25665	0.8
59.01244	5.1
64.32584	0.6
70.34942	2.0
71.01257	1.0
73.04323	0.6
79.27344	0.7
89.02309	3.7
91.03886	12.9
93.42693	0.6
98.20512	0.8
102.82391	0.7
125.12177	0.7
179.14336	1.0
186.86198	0.7
195.13811	6.7
196.14375	0.9
198.81615	0.7
205.15910	1.1
223.13319	6.9
256.13174	1.8
275.20096	4.9
293.21259	100.0
294.21539	9.4
309.04086	1.5
367.11752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2643
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
50.07497	1.0
69.71712	3.0
69.72134	3.7
119.49218	0.9
133.06487	11.4
149.09633	96.2
150.09990	4.2
187.73772	1.0
194.09489	1.0
205.15923	59.7
206.16277	4.9
295.17029	3.0
328.16943	2.6
367.26425	100.0
368.26752	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	367.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.0
59.01258	2.9
97.06483	0.9
111.12356	0.4
113.09614	18.1
114.09917	0.7
135.11607	0.5
139.11197	1.2
142.69165	0.4
167.10704	1.9
177.12714	1.0
179.10670	1.5
179.44344	0.4
188.01631	0.4
195.13860	2.4
203.73555	0.4
206.13351	0.4
249.22255	2.2
260.84995	0.4
271.07370	0.4
275.20203	0.7
293.21234	100.0
294.21545	10.5
341.35306	0.4
353.31628	0.5
363.11197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.6
60.81045	0.6
70.33326	1.9
71.01269	0.7
71.39410	0.6
75.66160	0.7
81.50102	0.6
89.02287	3.2
91.03889	12.2
97.02835	1.0
98.79980	0.7
106.82250	0.6
113.09586	0.7
117.11687	0.6
128.25630	0.7
139.38251	0.7
142.67677	0.6
179.14255	1.3
195.13841	7.1
205.15866	1.2
223.13364	6.0
256.13150	1.3
262.11859	2.3
275.20120	6.0
276.20508	0.9
293.21237	100.0
294.21564	9.3
322.89282	0.6
331.18860	2.8
332.18909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	3.5
59.01250	2.8
61.81367	0.3
69.65320	2.5
78.01057	0.4
83.04893	0.6
91.03902	0.6
97.06453	0.5
109.06433	0.4
113.09612	16.1
114.09944	0.6
135.11678	0.4
139.11174	1.6
149.09619	0.8
155.10651	0.4
158.75003	0.3
167.10709	2.2
177.12756	1.3
179.10701	2.0
195.13818	2.4
202.11320	0.3
249.22151	2.0
275.20233	0.5
279.56281	0.4
293.21225	100.0
294.21616	8.7
294.24808	0.3
353.82700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25513	0.9
52.90246	0.8
58.44188	0.8
59.01260	4.3
69.03342	2.1
69.31843	4.1
69.32269	4.9
71.01257	5.3
72.99168	2.2
75.00734	1.5
77.13403	0.8
81.03334	1.2
83.04917	2.6
87.79174	0.9
89.95716	0.9
93.03332	1.1
95.04902	1.5
99.00761	27.7
108.02066	2.7
109.06494	1.2
112.01553	2.7
115.00259	2.9
119.04855	0.9
121.06490	1.0
122.03639	1.4
124.98690	1.3
125.02298	1.1
134.03662	1.2
135.04469	0.9
136.01535	2.3
138.03110	2.2
140.01030	6.9
144.00534	1.0
147.08054	0.9
156.00520	3.6
163.03914	4.1
164.04724	4.1
166.02649	1.6
167.06096	5.1
175.04007	1.0
177.05518	6.3
177.12709	1.6
192.04268	1.5
193.05000	1.2
199.13332	3.8
201.12836	1.3
205.12230	1.3
207.13823	2.6
209.07193	2.4
221.11769	1.1
223.13364	4.5
225.02223	1.0
233.11777	1.6
235.13414	1.2
243.13895	1.6
245.11732	1.6
249.14900	1.5
251.12936	1.3
261.11496	4.4
261.14093	0.9
263.12842	2.6
265.14490	0.9
269.30884	0.9
277.14444	1.9
278.11765	1.3
279.12402	10.7
289.10864	2.9
293.13824	2.2
305.14014	2.2
306.12268	1.9
307.11884	32.4
307.15442	1.6
308.12173	2.9
310.55740	0.9
313.03845	1.1
337.12982	4.3
349.13007	4.8
351.34781	1.1
367.13950	100.0
368.07974	1.6
368.14041	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	367.1399
Annotation	8alpha-Acetoxy-10alpha-hydroxy-13-O-methylhirsutinolide
Peak:m/z	Relative Intensity
50.96058	0.3
52.05944	0.3
57.03310	1.3
59.01250	4.8
63.79971	0.4
65.46098	0.3
67.01772	0.5
68.99683	0.6
69.03329	2.4
71.01257	3.7
71.04895	0.4
71.57953	0.6
72.99179	1.1
75.00732	1.8
75.35190	0.3
80.02560	0.4
81.03345	0.7
83.04905	2.0
85.02824	0.4
87.00755	0.4
91.05417	0.5
93.03352	0.9
95.01250	0.9
95.04916	1.9
96.99203	0.4
97.02836	1.0
97.06448	0.7
99.00758	24.7
106.04108	0.7
107.04925	0.9
108.02061	2.9
109.02850	0.6
109.06467	0.9
110.03588	0.4
111.00764	1.6
112.01532	1.8
113.09592	0.4
115.00269	2.9
119.04916	1.0
121.02861	1.1
121.06477	0.6
122.03599	1.1
123.00766	1.2
123.04443	0.5
124.01537	0.8
124.98702	1.8
125.02318	0.6
128.01045	0.4
131.51031	0.3
133.06462	0.8
134.03664	0.6
135.04457	0.7
135.08058	0.5
136.01553	1.4
138.03119	1.0
139.07506	0.4
140.01054	5.9
140.10689	0.8
143.57829	0.4
144.00548	1.8
147.08041	0.8
148.05159	0.4
149.02348	0.7
150.03174	0.7
151.03860	0.5
152.01018	0.4
152.99467	0.7
153.01907	0.4
156.00597	1.9
156.68776	0.3
159.04440	0.6
163.03925	3.8
163.11258	0.5
164.04688	6.0
165.09177	0.4
166.02628	0.9
167.10728	0.4
171.08072	0.4
175.03882	1.3
176.04630	0.4
177.05511	7.7
177.12779	1.0
178.02495	0.5
178.06073	0.7
179.14374	0.5
189.12799	1.2
191.07050	0.5
191.14330	0.8
192.04146	1.8
193.04974	0.5
193.12253	0.9
199.11157	0.4
200.03217	0.6
201.12766	1.0
203.10703	0.6
205.05208	0.4
205.12259	1.8
205.15736	0.4
207.13838	3.2
209.11850	0.6
215.10664	0.4
217.12303	1.8
217.15872	0.5
219.13844	1.7
221.11758	0.8
221.15385	0.8
223.13362	4.1
227.10732	0.6
231.13774	1.1
233.11823	2.5
233.15411	0.8
234.12448	0.6
235.13339	1.9
237.14810	0.5
243.10220	0.6
243.13861	1.0
245.11861	2.1
247.13371	0.9
247.33200	0.3
247.41930	0.4
249.11124	0.6
249.14969	1.5
251.12854	2.6
259.13345	1.9
261.11334	3.9
261.14969	1.1
263.12897	2.8
265.14478	1.0
271.09595	0.5
275.12881	1.1
277.14395	1.9
278.11652	0.8
279.12393	11.2
280.12683	0.8
287.12900	1.4
289.10840	3.4
291.12280	0.5
293.13934	1.1
305.13821	2.6
307.11856	36.4
308.12152	3.1
309.13467	0.5
319.11798	1.1
331.12021	0.8
337.13016	4.0
338.13580	0.6
349.12894	5.2
367.13950	100.0
368.14249	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	367.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.7
59.01253	5.9
67.01744	0.6
68.99683	1.2
69.03320	2.3
71.01251	5.4
72.54311	0.5
72.99184	1.9
73.02838	0.8
75.00739	2.0
80.02556	0.7
81.03324	1.1
83.04875	2.4
84.02039	0.5
87.00726	0.8
95.01283	1.0
95.04913	1.6
96.99202	1.3
97.02831	1.1
97.06414	0.6
99.00764	23.9
101.02284	0.6
106.04131	0.9
107.04929	1.2
108.02055	2.8
109.06457	0.6
109.99992	0.9
111.00755	1.8
112.01556	2.1
113.02308	0.8
115.00253	2.5
119.04900	1.0
120.05690	0.8
121.02837	1.3
122.03602	1.5
123.00760	1.8
123.04374	0.6
124.01593	0.9
124.98695	1.5
125.02352	1.3
134.03639	1.6
135.04422	0.7
136.01567	1.5
137.02336	0.7
138.03113	1.6
140.01053	6.2
144.00578	2.7
147.08029	0.9
147.11670	0.7
149.02370	0.9
149.05933	0.7
150.03093	0.6
152.01068	0.6
156.00584	5.1
162.95941	0.5
163.03922	5.1
163.11194	0.9
164.04715	5.2
166.02655	1.2
172.78073	0.5
174.82761	0.5
175.03868	1.6
177.05492	7.1
177.12778	1.0
178.02608	0.7
189.12772	1.2
190.02454	0.5
191.03525	0.8
192.04207	2.1
193.05003	1.2
200.03180	1.2
201.12784	0.8
205.12244	2.5
207.13962	3.0
213.99927	0.7
217.12288	1.5
217.15738	0.5
219.13821	1.2
221.11816	0.9
221.15321	0.8
223.05983	0.7
223.13336	4.5
231.13922	0.8
233.11732	2.7
233.15395	1.0
234.12375	0.6
235.13263	1.3
237.14931	0.7
243.13922	0.9
245.11818	1.8
247.13379	1.1
248.12862	0.9
249.11252	0.6
249.14964	2.4
251.12872	1.9
259.13354	1.5
261.11404	4.0
261.14932	2.1
263.12817	3.8
265.14435	1.4
275.12912	1.0
276.12433	1.0
277.11127	0.6
277.14429	2.1
278.11401	0.6
279.12411	10.1
280.12790	0.9
287.12933	1.9
289.10724	2.9
293.14053	1.8
305.14017	2.8
307.11865	36.4
308.12073	2.9
309.13672	0.6
319.11810	1.0
320.11819	0.7
321.80515	0.5
323.14941	1.1
331.11700	1.0
337.12933	5.0
338.13330	0.7
349.12979	5.3
350.13025	0.8
367.13971	100.0
368.13687	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
59.01251	1.8
60.99176	0.4
67.01755	1.0
69.03304	0.5
69.55363	1.8
71.01257	2.2
71.56815	0.2
73.02829	0.7
81.03315	0.3
82.45514	0.2
83.04901	0.4
85.02825	8.9
87.00744	3.0
93.03334	7.8
98.20621	0.3
99.00742	0.4
99.04395	0.5
101.02337	0.2
105.00037	1.0
109.02840	1.1
111.04405	1.7
113.02325	1.3
117.03316	0.4
127.03915	2.1
134.03632	4.0
143.03384	0.3
149.05965	0.4
152.08350	0.9
153.09113	0.9
155.03333	0.3
160.01585	0.3
171.02861	0.4
173.04448	2.8
175.03870	0.4
191.05542	100.0
192.05894	3.7
193.04987	1.8
203.05823	0.9
205.12273	2.2
218.08168	1.0
262.07239	0.4
296.05939	0.3
307.87527	0.3
367.10278	1.1
367.17398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	18.5
58.00467	3.7
59.01252	24.6
67.01752	2.7
69.03331	37.8
69.44594	14.4
70.76911	1.7
71.01263	10.2
71.04886	2.2
72.99173	7.1
73.02828	3.0
75.00749	39.4
75.43970	1.7
76.86637	1.4
78.38323	1.4
81.03336	5.6
83.04890	5.8
85.02824	10.9
87.00756	8.8
87.04399	8.9
89.02323	7.0
93.03330	15.6
93.07017	2.2
95.04932	1.7
97.02863	2.0
97.06488	1.6
98.19847	3.4
99.00736	1.7
99.04403	15.2
101.02321	3.3
102.05507	2.2
103.00252	23.9
105.00055	1.8
107.04886	1.8
109.06474	33.3
111.04380	3.8
111.08041	2.3
113.02325	5.0
115.03912	3.0
116.06999	2.0
117.01871	2.6
117.05469	6.3
119.04910	10.9
121.06516	2.3
125.05997	1.8
127.07555	10.5
133.06502	4.0
134.03619	6.9
135.02896	100.0
136.03255	2.7
137.05968	1.8
139.03893	3.2
139.07544	14.9
146.04477	1.7
149.02365	1.6
151.07550	7.6
153.85878	1.5
155.03366	2.4
157.08670	7.6
163.03906	10.0
169.08626	18.5
173.04453	7.9
175.04031	1.9
183.06570	6.0
187.09677	7.2
191.05547	50.9
193.04996	4.0
201.07634	54.0
218.08134	4.4
231.08713	4.2
249.09790	6.2
307.14713	1.8
321.82111	1.6
367.12201	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	367.1034
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03323	0.7
58.00443	0.3
59.01249	1.7
59.69312	0.3
60.99162	1.2
67.01761	4.7
69.03321	1.2
69.46910	2.6
71.01273	1.8
73.02821	0.4
78.99644	0.3
81.03330	1.0
83.01273	0.3
83.04898	1.0
85.02822	5.4
87.00756	6.1
89.50169	0.3
93.03338	28.0
94.03704	0.9
97.33316	0.3
99.00742	0.6
99.04419	0.8
105.00063	0.4
109.02844	0.5
111.04406	4.4
113.02341	0.9
117.03333	0.9
119.04967	0.4
121.72285	0.3
127.03901	1.3
129.01852	0.5
134.03636	13.1
135.04007	0.5
137.02353	0.5
143.03488	0.5
149.02298	0.4
149.06027	1.0
155.03394	1.2
160.01643	0.4
163.03925	0.7
173.04482	14.9
174.04712	0.7
175.03925	0.8
191.05545	100.0
192.05898	3.7
193.04991	6.0
194.05307	0.5
204.38016	0.3
218.08223	0.9
367.10287	3.0
368.10123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66408	0.4
55.04873	0.3
59.01258	1.8
62.50900	0.3
71.01231	0.4
71.04607	0.6
71.04915	0.4
84.60765	0.3
101.02369	0.4
116.04942	4.2
132.04398	0.4
160.03951	100.0
161.04297	3.8
186.80820	0.5
204.03012	3.8
226.75912	0.4
249.06033	0.7
325.11691	0.6
333.79568	0.4
366.08276	11.6
367.08417	0.8
367.12631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03312	0.4
59.01251	1.8
60.99176	0.4
67.01755	1.0
69.03304	0.5
69.55363	1.8
71.01257	2.2
71.56815	0.2
73.02829	0.7
81.03315	0.3
82.45514	0.2
83.04901	0.4
85.02825	8.9
87.00744	3.0
93.03334	7.8
98.20621	0.3
99.00742	0.4
99.04395	0.5
101.02337	0.2
105.00037	1.0
109.02840	1.1
111.04405	1.7
113.02325	1.3
117.03316	0.4
127.03915	2.1
134.03632	4.0
143.03384	0.3
149.05965	0.4
152.08350	0.9
153.09113	0.9
155.03333	0.3
160.01585	0.3
171.02861	0.4
173.04448	2.8
175.03870	0.4
191.05542	100.0
192.05894	3.7
193.04987	1.8
203.05823	0.9
205.12273	2.2
218.08168	1.0
262.07239	0.4
296.05939	0.3
307.87527	0.3
367.10278	1.1
367.17398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2698
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
55.01759	0.4
58.30744	0.3
59.01247	0.7
66.92662	0.2
70.24194	1.0
71.51403	0.3
72.91627	0.2
75.98389	0.2
85.06449	1.4
96.38641	0.3
151.07562	0.2
155.14296	0.6
165.12813	1.3
181.12270	0.8
199.13342	16.2
200.13710	0.8
201.02644	0.3
215.66946	0.3
231.21977	0.3
251.20193	0.4
261.18561	0.5
277.21732	1.3
279.19684	8.3
280.20035	1.1
291.19620	0.5
347.21869	0.6
347.25943	8.8
348.26202	1.1
363.25497	0.8
365.26971	100.0
366.27344	12.0
366.32047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2697
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
55.01747	0.5
59.01244	0.8
61.26426	0.3
71.00890	0.9
71.01241	0.4
71.83454	0.4
109.36314	0.3
112.71466	0.4
153.12698	0.4
155.14326	1.0
162.67842	0.4
163.11198	0.4
165.12784	2.8
181.12250	1.5
199.13338	30.7
200.13661	1.5
252.59467	0.4
279.19632	0.5
283.26541	0.6
291.19601	0.6
320.62567	0.4
347.25876	4.3
363.25290	0.6
365.26959	100.0
366.27307	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	365.2697
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
51.81644	0.4
55.83409	0.4
59.01246	0.8
63.00317	0.4
64.64696	0.4
69.44723	3.6
85.06472	2.6
199.13336	2.0
251.20226	0.6
261.18481	0.9
279.19687	18.2
280.20010	1.8
314.35577	0.4
347.25906	5.8
365.26974	100.0
366.27307	12.2
366.31064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21733	0.4
59.01242	1.7
65.94558	0.5
71.01260	0.5
71.58305	0.6
83.04900	0.7
85.23326	0.4
91.03919	1.1
92.04810	0.4
111.08009	0.8
119.04895	0.6
121.10026	0.4
123.08040	0.5
125.09550	0.6
139.11145	0.8
147.35280	0.4
150.42233	0.4
151.11125	0.5
163.11226	0.5
165.12767	1.5
171.56860	0.5
189.12752	0.5
193.15744	0.4
197.11792	0.7
203.14288	0.6
211.13275	0.6
217.15912	0.7
229.19574	1.0
245.18935	0.5
247.20708	1.8
263.20178	25.1
264.20511	3.0
273.18689	4.3
291.19678	100.0
292.20013	9.1
329.16837	0.5
365.23447	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	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
59.01257	3.0
64.67894	0.4
70.88925	0.4
70.89247	1.0
71.01261	0.9
83.04899	1.3
89.02335	0.7
90.43343	0.4
91.03893	0.8
95.04890	0.8
95.21181	0.4
97.06478	0.5
97.96158	0.4
109.06445	0.5
111.08046	9.2
113.09613	0.8
115.84486	0.4
123.08145	0.5
125.09601	1.4
127.11180	1.3
137.09627	0.8
153.09091	0.5
153.12762	0.8
157.35410	0.4
167.10674	2.1
177.12793	2.4
179.10687	1.7
195.13847	5.9
203.14394	0.6
229.19513	0.5
247.20653	2.8
259.91751	0.4
263.20178	1.6
264.20535	0.5
273.18549	4.2
291.19669	100.0
292.19977	9.0
333.80847	0.4
365.23392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
59.01256	3.1
67.97732	0.5
69.75078	0.9
69.75491	2.3
71.01254	0.6
83.04897	0.9
89.02328	0.5
91.03882	0.7
93.06986	0.5
95.04917	4.8
97.06448	0.7
98.19828	0.5
109.06544	0.4
109.59016	0.4
111.08054	5.6
121.10130	5.2
123.08058	0.6
125.09634	4.1
137.09608	0.7
139.11176	0.4
141.12790	0.7
147.08061	0.9
153.12799	0.5
158.49069	0.4
167.10707	1.1
177.12778	1.2
179.10669	0.8
182.33241	0.4
185.11781	6.3
195.13861	3.9
197.11743	1.4
209.11801	0.7
211.13304	0.7
219.17509	1.4
247.20715	2.7
263.20129	1.3
267.07632	0.5
273.18610	2.8
289.18021	0.7
291.19684	100.0
292.20029	8.6
321.10571	0.4
365.15060	0.9
365.23312	10.5
366.23538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77170	0.4
57.33263	0.4
59.01250	3.0
62.99768	0.4
69.36259	3.4
69.36681	0.8
71.01252	0.9
90.96902	0.4
95.04890	0.5
96.95871	0.6
97.06470	1.1
111.08028	0.5
113.46989	0.4
121.10116	1.5
123.08057	0.7
125.09634	0.7
153.78828	0.4
162.10481	0.8
163.11189	2.9
165.12767	5.2
167.86565	0.4
177.12811	0.8
179.14383	2.0
185.11847	1.0
189.12941	0.5
193.15910	1.6
194.24387	0.4
209.11807	1.1
223.13367	2.1
247.20671	5.5
248.20937	0.4
263.20135	1.4
273.18530	2.6
280.33475	0.4
291.19666	100.0
292.19995	8.8
365.14490	1.4
365.19479	1.3
365.23706	1.6
366.23077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
59.01253	2.8
63.33739	0.3
64.16248	0.4
70.79086	0.3
71.01257	0.7
71.04871	0.5
71.57520	0.6
79.25645	0.3
80.91322	0.3
85.02845	0.3
89.02304	0.7
91.03902	0.8
93.06977	0.6
96.95885	0.5
97.06457	1.3
107.05628	0.3
109.06487	0.4
111.08069	2.1
113.02258	0.4
121.10126	9.0
122.10448	0.5
123.08059	0.8
125.09612	5.4
141.12743	0.9
147.08063	1.5
165.12796	0.4
167.10727	0.5
169.12408	0.3
173.65994	0.3
177.12798	1.0
185.11765	10.2
186.12122	0.7
186.44936	0.3
189.20175	0.3
191.78020	0.3
195.13815	1.0
197.11765	2.6
203.14391	0.3
209.11816	0.8
211.13385	1.3
223.13367	0.9
247.10074	0.3
247.13292	0.4
247.20677	0.9
273.18518	1.5
289.18027	0.6
291.19672	100.0
292.20013	9.5
365.10272	0.5
365.19601	0.4
365.23361	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17477	0.6
57.63916	0.8
57.69636	0.8
59.01252	100.0
60.01600	1.1
62.26705	0.7
65.77458	0.7
71.58009	1.1
78.95776	7.5
79.65624	0.7
83.04866	0.8
89.02312	0.7
96.96843	1.1
99.57927	0.8
109.98493	0.7
111.40736	0.8
125.81817	0.7
130.15950	0.7
142.45406	0.7
143.08611	0.8
152.99493	15.2
232.10121	0.6
239.84604	0.9
347.18753	1.9
365.19690	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24568	0.9
55.01754	1.8
57.03307	2.5
58.00465	1.4
59.00953	1.4
59.01249	29.4
65.56453	0.8
68.99693	1.1
71.01254	23.9
71.04881	1.0
71.57391	1.3
72.01578	0.8
72.99184	6.2
73.02819	6.8
75.00739	2.2
75.63489	1.0
83.01242	4.7
85.02811	9.9
87.00751	4.0
89.01900	0.9
89.02332	9.9
95.01257	2.4
99.00750	3.5
99.07984	1.2
101.02322	22.9
111.00752	1.2
113.02338	10.6
115.00253	3.3
115.03870	1.8
119.03387	4.9
131.03439	1.2
135.02896	2.9
143.03371	1.3
149.02289	1.0
151.03853	1.6
157.12256	2.1
161.04478	2.8
179.05499	1.2
185.11761	3.2
203.12775	7.0
247.11845	1.2
249.06050	4.1
264.92380	0.9
267.07269	4.4
347.17084	15.5
348.17822	1.0
365.18140	100.0
366.18442	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.8
57.03318	2.1
58.00462	4.2
59.01255	100.0
61.44714	1.2
69.03331	4.8
69.59387	10.1
71.01257	73.5
72.99186	6.0
73.02827	20.2
83.01264	4.0
85.02834	16.6
87.00757	3.4
89.02319	77.4
95.01255	5.0
97.06468	10.8
99.04407	3.0
101.01701	2.8
101.02334	43.4
113.02339	28.2
119.02580	2.3
119.03395	35.4
131.03401	3.8
143.03391	7.7
149.04465	2.4
153.09137	2.3
161.04485	10.5
179.05557	18.2
203.12840	48.3
204.13191	3.3
223.84378	1.5
229.48883	1.3
257.54337	1.6
360.02124	1.7
365.13678	2.6
365.18161	42.1
366.18292	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.7
56.23427	0.6
57.03327	2.2
58.00469	1.0
59.01252	100.0
61.36636	0.6
68.99672	0.6
71.01253	14.7
71.92220	0.6
72.99182	1.7
73.02822	7.3
83.01263	4.6
85.02826	11.1
85.99968	1.5
87.00763	1.5
89.02340	2.6
95.01275	1.4
99.00775	2.9
101.02328	19.2
101.05958	6.1
111.00802	1.4
113.02324	6.9
119.03391	0.8
137.03699	0.6
149.02405	0.7
159.02905	1.6
161.04477	2.9
257.43777	0.7
305.16074	6.3
347.17117	6.3
365.18155	90.7
366.18497	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47265	1.1
59.01253	100.0
71.01263	1.4
73.02811	1.2
89.02316	1.2
93.03369	1.3
113.02356	1.6
123.66548	1.1
128.02306	1.1
134.04562	1.3
137.02330	1.3
297.30270	1.1
305.98969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0878
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
50.79464	0.3
59.01252	1.3
69.59746	2.2
71.01247	0.8
73.02836	0.9
85.02831	0.5
89.02350	0.4
96.95960	0.3
100.01397	0.3
102.47363	0.3
104.99229	0.3
113.02332	0.3
129.01933	0.3
135.04378	0.4
145.02841	1.2
147.04388	0.5
153.01901	0.3
158.03647	15.3
159.04427	6.1
171.04442	1.7
173.02374	0.3
175.03868	0.5
185.06100	0.3
201.01860	0.9
201.05519	2.9
202.02660	100.0
203.03152	7.7
213.05481	2.2
215.03470	0.6
227.03435	0.4
231.06633	1.2
245.04570	0.8
269.04788	0.3
275.05704	2.2
358.29013	0.3
363.57086	0.4
365.08759	38.0
366.09094	3.1
382.29700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73484	1.1
59.01252	100.0
62.72095	1.0
69.34293	10.4
69.34695	2.4
71.01250	5.8
73.02853	1.7
85.02818	1.6
86.81941	1.1
89.02310	3.1
91.37893	1.2
93.03331	1.8
101.02322	2.7
113.02337	3.7
130.70656	1.0
137.02318	1.5
156.65828	1.1
160.15314	1.1
282.70377	1.2
288.28653	1.2
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
50.98194	0.9
55.01764	1.9
57.03316	2.2
58.00464	3.4
59.01252	100.0
60.01592	1.0
69.03326	1.0
70.22614	3.5
71.01254	68.0
72.01595	1.7
72.99180	5.2
73.02814	11.7
75.00748	2.7
83.01264	5.6
84.03438	0.9
85.02824	22.4
86.83517	1.0
87.00772	3.6
87.26048	1.0
89.02319	52.6
95.01260	6.1
95.04915	2.9
99.00753	4.6
99.04382	1.3
101.02319	41.6
105.97208	1.2
108.50353	1.1
113.02331	28.7
119.03393	21.3
131.03407	1.5
143.03419	3.6
149.04443	1.0
159.02960	2.2
161.04480	12.8
179.05544	8.6
183.10265	1.2
201.11285	8.9
205.03479	1.1
257.13046	1.1
304.33591	1.1
335.98737	1.0
363.16586	31.7
364.16986	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1656
Annotation	Sauriol A
Peak:m/z	Relative Intensity
52.60054	0.6
58.99228	0.5
59.01246	5.2
60.80088	0.5
70.34562	2.4
71.01249	4.6
73.02814	1.3
81.11607	0.6
84.55744	0.6
85.02786	1.9
89.02299	0.8
93.03333	5.2
101.02276	2.0
108.02045	1.9
109.02842	9.6
113.02293	1.6
119.04871	1.2
121.02842	32.1
122.03633	20.3
123.04480	2.9
124.01501	2.3
129.03294	1.3
134.03616	1.2
135.04417	3.4
136.01521	0.8
136.05122	1.9
137.02342	3.7
138.03215	0.8
146.03554	1.1
147.03334	1.0
147.04422	14.3
148.04979	0.9
149.05923	2.3
150.04102	1.5
154.02644	3.4
159.04446	0.7
161.04698	0.7
161.05994	5.4
163.03868	0.6
164.04616	0.9
165.05481	38.3
166.05785	1.2
173.05978	0.8
175.07440	0.7
178.06213	0.9
179.07057	14.3
199.13245	1.7
209.08066	2.0
209.11673	0.9
223.09575	1.0
298.11856	1.1
307.13120	0.7
313.14337	1.0
315.12344	3.0
346.14154	12.2
347.14279	0.7
361.16364	100.0
362.12579	0.8
362.16687	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1507
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
52.61384	0.4
54.63596	0.4
57.03331	2.8
59.01248	1.5
67.05402	5.6
69.03333	9.2
69.33849	2.2
69.34280	1.7
71.01239	2.5
71.04886	0.5
72.99196	0.5
73.02827	2.5
75.00749	3.7
81.03333	1.6
83.04864	0.4
84.02030	0.5
85.06459	0.6
87.00757	1.4
89.14733	0.4
89.36750	0.4
99.00764	1.0
99.04404	2.0
111.04411	39.9
112.04743	1.7
119.08569	1.1
125.09621	6.4
131.75304	0.4
137.09592	1.3
143.03438	2.6
155.10670	0.8
161.04485	9.8
169.08638	2.8
179.05556	4.8
181.08644	19.5
182.08989	1.2
199.09706	100.0
200.10017	5.5
325.77869	0.4
339.18909	0.4
361.10782	0.7
361.15097	11.3
362.15555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1505
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
50.16085	1.5
57.03317	5.3
59.01249	11.1
59.68402	1.1
65.79710	1.5
67.05402	6.2
69.03323	16.1
69.83324	6.3
71.01263	8.3
71.04879	1.5
72.99178	5.5
73.02811	8.0
75.00748	17.3
81.03332	4.5
85.02777	2.4
87.04376	2.0
88.20348	1.3
89.02319	5.7
97.78315	1.4
98.20525	2.5
99.00749	4.5
99.04406	9.8
101.02340	2.8
109.14517	1.3
111.04402	46.4
125.09599	8.5
137.09604	2.4
143.03438	9.8
161.04462	35.5
162.04645	1.4
169.08591	4.9
179.05527	9.4
181.08618	35.9
182.08855	1.7
199.09683	100.0
200.10036	5.0
211.93958	1.3
242.65451	1.6
331.13824	2.6
343.14078	2.0
361.15012	19.7
362.15350	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	361.1507
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
57.03329	2.9
59.01252	2.7
59.84221	0.9
67.05394	7.3
69.03329	14.3
69.98074	3.4
69.98492	2.2
71.01272	2.3
72.69353	0.9
73.02830	1.5
75.00751	8.7
81.03334	2.6
87.00752	2.1
96.95878	1.8
99.04430	2.7
100.13200	0.8
101.02344	0.9
111.04411	60.1
112.04733	1.8
119.08591	1.2
125.09637	9.3
136.58434	1.1
137.09641	1.4
143.03358	2.2
153.91095	0.9
155.10686	1.1
161.04480	11.2
169.08607	3.8
179.05560	6.0
181.08649	24.3
188.45869	0.9
199.09706	100.0
200.10057	5.7
227.43079	1.0
343.14117	1.0
361.15091	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	361.1506
Annotation	1-O-beta-D-Glucopyranosylamplexine
Peak:m/z	Relative Intensity
53.88259	1.9
55.01758	2.8
57.03326	3.2
58.00472	4.8
59.01254	100.0
63.98075	1.5
67.21095	1.4
70.49374	4.3
70.49766	3.5
71.01256	56.2
72.99180	5.0
73.02836	3.7
82.19846	1.5
83.01276	3.3
83.04910	2.5
85.02828	15.0
87.00778	4.9
89.02321	49.2
95.01257	4.3
96.95909	18.3
98.20518	2.0
101.02328	32.3
111.04400	4.2
113.02340	21.3
119.03394	19.9
119.08556	38.8
123.08044	4.6
153.09135	2.0
161.04471	2.7
163.07571	16.7
171.11713	4.9
179.05502	1.8
180.68593	1.5
181.08545	2.1
189.12883	2.4
199.09724	4.2
201.12770	1.9
207.13857	1.9
218.61790	1.6
225.96181	1.6
237.14861	5.0
281.13953	7.2
331.14069	2.1
343.13986	22.5
361.05414	3.2
361.09644	22.3
361.15063	21.1
362.10019	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	361.1506
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
57.03332	1.9
58.00460	5.1
59.01252	100.0
59.44543	1.4
60.01577	1.9
64.62186	1.3
69.03362	1.8
69.58908	8.4
71.01254	67.0
72.99186	6.5
73.02823	5.4
75.00748	4.2
83.01253	2.5
85.02830	16.9
87.00744	3.4
89.02323	73.8
95.01278	5.2
101.02325	35.0
111.04377	3.5
113.02327	28.4
117.03332	1.5
119.03400	31.4
119.04846	3.2
121.02778	1.5
131.03406	2.9
135.04391	1.6
137.02338	2.7
143.03355	2.4
145.02853	2.7
149.04437	2.6
161.04465	2.7
163.03925	2.4
179.05563	3.7
181.08635	43.4
182.08998	3.1
199.09694	4.0
202.31461	1.3
236.07922	3.1
267.07007	1.8
352.57516	1.4
361.15115	13.5
373.07574	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83594	0.7
59.01257	21.4
59.17012	0.6
98.19774	2.0
100.78307	0.8
113.24542	0.7
115.83133	0.7
129.31473	0.6
182.22507	0.7
187.89804	0.8
210.68068	0.7
277.21732	100.0
278.22040	7.9
359.22040	11.6
360.22522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73711	19.8
59.01237	36.1
61.71898	21.3
71.52246	45.1
81.70164	19.8
94.92603	20.3
119.04914	100.0
136.63533	22.4
162.19699	20.8
163.03917	83.7
236.14771	18.7
359.95975	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	361.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.2
59.47730	0.7
61.91900	0.9
65.03831	2.5
71.01234	2.1
73.02812	1.8
76.35887	0.8
83.04893	2.2
88.71864	0.9
89.61512	0.9
93.03337	83.2
94.03703	1.9
97.80248	1.2
98.19788	2.4
101.02289	2.0
107.04895	2.6
111.04411	4.2
117.03353	12.5
119.04920	100.0
120.05273	3.5
121.02853	1.5
130.94743	0.9
131.04892	1.8
137.02350	35.9
138.02657	1.6
145.02859	51.0
146.03214	1.5
150.04105	2.0
155.03418	7.3
159.04457	0.9
161.04509	1.1
163.03928	75.0
164.04242	4.1
169.06512	3.1
183.68611	0.9
193.06529	4.0
194.07263	1.1
195.08109	13.9
196.08339	1.2
197.06079	1.1
199.09622	1.4
212.27144	0.9
213.05531	2.9
213.09132	3.5
239.07074	3.7
243.12195	1.1
257.08218	4.5
301.07190	24.0
302.07489	2.9
330.10654	1.1
361.09189	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	3.6
59.01256	4.6
62.79668	1.5
69.03320	2.5
69.24885	10.2
69.25307	8.1
73.02827	2.2
85.02828	2.1
87.00759	5.5
93.90676	1.5
93.97971	1.6
97.06490	1.6
109.06482	2.0
122.03657	2.0
132.04437	1.8
147.02998	3.0
148.85176	1.6
165.12778	4.0
169.15811	1.6
177.12747	1.6
179.14378	3.3
183.13826	2.5
186.09206	1.8
195.13759	2.3
205.12291	2.0
211.13319	31.3
212.13678	2.2
213.14885	34.1
214.15338	2.3
223.13373	7.3
235.13399	3.5
241.14417	100.0
242.14690	5.4
251.12862	28.5
253.14383	11.3
259.13348	9.6
260.13702	2.5
263.12869	2.8
269.13745	3.5
276.82419	1.8
277.14426	11.4
278.14886	2.6
293.13840	2.3
305.13968	2.6
343.17709	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1501
Annotation	5-O-Methylhirsutanonol
Peak:m/z	Relative Intensity
52.41941	2.6
57.88023	2.8
59.01249	11.5
62.77166	3.0
71.01265	4.2
71.58009	6.0
72.99181	3.6
103.37796	3.0
116.07064	12.4
121.02858	18.4
123.00810	6.1
130.08641	8.2
136.01517	7.0
137.02339	9.5
145.02820	11.0
147.04402	19.5
149.02373	3.6
150.03136	7.1
151.00264	4.4
153.01820	3.5
155.08179	3.5
158.03601	5.3
159.04478	17.9
160.05215	53.1
161.05968	16.8
162.03140	5.9
163.03905	28.2
164.04666	11.0
173.02385	4.4
173.05965	10.1
174.03134	8.8
175.03932	59.8
175.07547	43.1
176.04697	20.7
177.05519	18.8
178.06261	9.7
180.04230	32.8
188.04591	6.4
189.05447	19.4
190.06288	48.7
191.05751	3.5
191.07112	46.1
193.04950	33.9
194.05745	13.5
203.07130	4.3
205.08644	38.1
207.06639	15.4
208.07327	14.1
227.03543	3.2
255.02859	3.9
271.02469	9.3
297.18185	7.2
300.02634	15.5
329.10056	7.0
329.13913	100.0
330.14215	6.6
341.16916	4.3
344.01614	6.8
344.12598	10.0
359.04205	21.4
359.11316	4.4
359.14957	78.8
360.04236	3.9
360.15314	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	359.1501
Annotation	Piperphilippinin VI
Peak:m/z	Relative Intensity
59.01249	3.0
59.97142	1.1
60.01609	1.1
69.42315	10.5
71.01263	1.3
81.22700	1.0
90.21593	1.3
104.86383	0.9
108.13412	1.1
111.00764	1.2
121.02842	3.6
122.03632	1.2
126.05920	1.1
134.03647	1.9
135.04404	2.2
136.84230	1.1
143.04831	1.8
145.02826	3.4
146.03661	5.3
147.04402	5.1
148.05183	8.5
149.05974	4.9
150.03114	2.0
158.03606	3.8
159.04437	9.6
160.05196	21.3
161.02335	2.9
161.05992	24.0
162.03151	10.1
162.06747	6.0
163.03929	5.5
171.04410	3.1
172.05217	94.3
173.05945	12.7
174.03145	10.9
174.06366	1.3
175.03894	3.7
175.07576	12.2
176.04706	1.7
177.05479	13.3
178.06287	15.2
180.04231	4.1
187.07578	81.4
188.07932	5.1
189.05496	7.3
190.06281	39.8
191.03374	2.1
191.07037	20.9
192.04211	4.1
192.07495	2.3
193.04982	7.6
194.05742	1.3
203.07201	1.2
204.07860	4.4
205.08643	44.8
206.08888	1.7
207.06564	6.7
208.07306	1.8
210.05280	6.7
240.06418	1.8
263.07111	1.3
265.08780	1.1
275.07202	2.8
280.07382	1.2
281.08276	5.1
284.10635	1.6
293.08261	6.7
296.10565	5.3
297.11212	2.5
299.12872	11.5
308.10519	4.6
311.09137	3.3
311.12891	13.5
313.10788	1.7
313.14349	1.1
314.11612	1.1
317.19482	1.6
323.12958	10.7
325.10861	1.4
326.11438	1.9
329.13928	57.4
330.14288	5.7
341.13947	100.0
342.14276	12.1
359.15027	32.2
360.15396	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	4.0
69.30293	6.8
69.30703	1.7
89.00221	1.6
94.39446	0.7
97.02845	2.6
109.02871	0.9
111.22583	0.9
121.02861	1.3
135.00768	7.4
137.02359	1.4
138.03082	1.9
149.99461	1.0
154.90047	0.8
163.00276	9.9
165.01845	12.8
166.02567	0.9
177.01891	1.9
186.03166	1.4
193.01303	1.1
198.03169	1.9
201.01906	1.5
202.02699	1.3
213.01904	3.1
214.02539	4.2
226.02711	1.0
229.05067	1.3
230.02213	3.2
230.85130	0.9
231.02951	2.1
241.01402	1.3
242.02158	7.3
246.01605	1.6
257.04565	4.1
258.01743	6.5
261.04037	1.4
269.00916	45.3
270.01465	4.4
272.99472	0.9
273.04099	5.3
283.02472	7.6
284.03317	2.6
285.03931	2.8
286.01227	22.9
287.01547	2.5
297.00449	6.9
297.03650	1.3
298.01144	29.0
299.01605	2.2
301.03540	46.4
302.03937	3.4
311.02036	2.8
312.02756	100.0
312.99698	1.5
313.03464	39.3
314.03888	3.0
327.05096	84.6
328.05539	10.7
329.03027	29.2
329.06290	1.1
330.03418	2.4
344.05341	29.0
345.05719	2.5
359.04169	2.1
359.07742	48.0
360.08154	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	359.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58250	0.9
57.03322	3.4
59.01249	1.6
62.72418	0.9
63.18274	1.0
65.00195	3.7
65.03803	1.0
67.01762	2.8
68.99680	4.1
71.01250	1.7
71.56322	2.1
79.46310	1.0
81.03324	3.4
83.01256	18.0
85.02851	1.4
89.11108	1.1
96.76004	0.8
107.01262	3.5
109.02842	6.9
110.98376	1.0
116.12521	0.8
120.57277	1.0
121.02866	1.2
125.02341	40.3
126.02670	1.7
134.04622	14.5
149.02351	2.8
151.00285	18.5
153.01840	100.0
154.02168	2.4
166.25945	1.2
177.01840	1.7
178.99763	4.2
195.02866	2.8
237.08606	1.0
245.87001	1.1
315.07263	7.8
341.05164	2.0
352.14230	1.1
359.05972	5.9
359.09924	1.4
360.06982	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62752	3.2
59.01257	100.0
59.22114	3.5
73.02829	3.2
75.22643	2.9
82.49170	3.5
84.91569	4.0
89.57741	3.4
99.78550	3.6
100.04797	3.9
105.48074	3.3
109.02850	6.8
111.72499	3.8
117.82057	3.2
121.02824	10.6
151.03911	5.0
171.10115	4.5
174.92145	3.5
198.05177	3.8
200.69781	4.0
205.07187	3.6
223.13258	7.6
225.11470	3.5
304.42392	3.5
308.32779	3.2
327.05090	10.6
342.07367	8.1
343.94299	4.4
357.05988	6.2
357.14282	7.5
357.26459	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	357.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.0
57.03328	1.8
58.00455	0.8
59.01256	100.0
60.01594	0.7
65.21570	0.8
69.03326	1.6
71.01257	19.6
71.58105	1.1
72.00768	1.4
72.99191	2.2
73.02830	7.9
83.01255	6.5
85.02829	12.1
89.02319	9.9
93.03328	2.0
99.00751	1.4
101.02327	12.9
113.02332	8.9
119.04910	2.1
121.02846	1.1
121.10132	9.5
122.20345	0.8
131.03427	5.3
136.01526	0.8
151.03899	1.6
151.39340	0.9
165.09132	5.1
170.31052	0.8
175.02383	1.2
180.06552	5.1
183.13831	1.0
211.13362	8.1
269.12964	1.2
297.13440	14.7
298.13797	1.7
313.12546	1.0
315.14526	1.1
342.11264	1.0
357.09930	0.9
357.15707	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.0
57.03328	1.8
58.00455	0.8
59.01256	100.0
60.01594	0.7
65.21570	0.8
69.03326	1.6
71.01257	19.6
71.58105	1.1
72.00768	1.4
72.99191	2.2
73.02830	7.9
83.01255	6.5
85.02829	12.1
89.02319	9.9
93.03328	2.0
99.00751	1.4
101.02327	12.9
113.02332	8.9
119.04910	2.1
121.02846	1.1
121.10132	9.5
122.20345	0.8
131.03427	5.3
136.01526	0.8
151.03899	1.6
151.39340	0.9
165.09132	5.1
170.31052	0.8
175.02383	1.2
180.06552	5.1
183.13831	1.0
211.13362	8.1
269.12964	1.2
297.13440	14.7
298.13797	1.7
313.12546	1.0
315.14526	1.1
342.11264	1.0
357.09930	0.9
357.15707	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1345
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
53.49965	1.7
59.01240	4.3
59.03511	1.5
69.43490	11.5
69.43904	4.4
71.01249	6.8
73.02803	2.1
85.02829	2.4
87.02623	1.8
101.02337	2.3
101.18666	1.7
101.36855	1.8
108.02057	26.6
109.02859	1.9
115.00298	4.6
121.02843	4.3
123.04424	29.5
125.09596	1.8
125.39013	1.5
131.04912	2.1
135.04385	2.9
136.01569	4.2
143.04932	2.4
145.02861	2.3
146.03656	2.3
147.04419	6.2
148.05199	9.6
149.02342	5.5
149.05959	6.2
150.03113	10.9
151.03918	4.2
158.03621	6.4
159.04414	19.1
160.05215	24.2
161.02335	2.5
161.05914	6.3
162.03117	6.6
163.03931	2.8
164.04663	2.0
165.05466	2.1
167.07100	2.5
174.03146	12.0
175.03911	2.8
175.07553	9.6
176.04669	7.3
177.05495	92.5
178.06274	28.9
180.04141	2.6
183.13805	2.6
187.03897	15.6
188.04720	21.6
189.05249	2.2
190.06241	2.4
191.07068	29.4
192.04245	3.3
192.07893	13.9
193.08513	2.6
201.05551	2.7
203.07077	100.0
204.07375	4.4
206.05794	15.1
209.15485	1.9
210.05226	9.9
211.13362	3.6
213.14796	2.9
219.06532	3.4
220.07332	4.5
221.08136	63.2
222.08488	5.0
224.06897	17.2
231.41949	1.8
279.06653	2.6
280.07278	3.0
281.08160	5.9
291.06638	3.0
295.09729	2.6
296.10602	2.3
309.07724	5.5
311.12680	3.9
313.07355	2.1
313.10788	7.1
321.16992	2.1
324.10019	5.5
327.12283	5.6
339.12375	30.1
340.12582	2.2
342.11002	2.9
357.12787	17.4
357.19312	4.1
358.13715	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	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	3.0
58.02220	1.3
59.01236	7.3
67.05405	1.5
68.99693	9.8
69.03329	5.6
69.54835	11.7
71.01255	11.8
72.99189	1.8
74.02364	2.8
85.02793	2.9
87.00750	12.8
93.03343	2.4
96.99223	8.1
98.02350	2.6
99.00797	1.3
107.33520	1.3
111.04410	20.7
113.02381	2.2
115.00265	36.4
121.06500	2.1
123.04411	15.6
125.60757	1.3
134.03703	1.6
135.04434	4.1
137.05943	3.2
151.03922	22.4
152.62497	1.4
153.05464	20.1
163.03873	1.9
165.05527	1.4
174.01686	1.3
175.02399	100.0
176.02844	2.7
181.08661	9.5
191.05521	2.2
193.04955	2.3
195.10210	1.4
199.09727	15.0
235.09712	2.6
249.11166	1.5
265.22375	1.5
269.11511	2.3
327.11047	2.3
339.10519	1.6
357.08206	3.2
357.11917	51.4
357.21185	3.0
358.12317	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	357.0979
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
55.36799	0.6
70.95792	0.5
77.08986	0.5
119.01273	1.5
120.02023	0.6
121.02831	1.0
134.67334	0.6
139.93425	0.5
146.61932	0.5
147.00803	0.7
148.04187	0.9
169.02792	0.9
185.02383	0.7
197.02374	6.4
200.04678	0.7
211.03886	1.7
212.04726	4.1
213.01874	4.7
215.03358	0.9
224.04715	2.8
225.01941	4.5
227.03349	1.6
227.07056	1.4
228.04143	0.8
239.03387	1.3
240.04146	1.1
241.01390	26.2
242.01790	2.7
253.01421	18.4
254.01898	0.9
255.03014	4.1
256.03769	10.0
257.04190	0.7
260.07587	0.6
267.03018	1.3
268.03790	6.5
268.78171	0.6
269.00919	18.6
269.03836	1.2
270.01492	1.0
271.06155	2.7
283.02472	2.1
283.06110	4.3
284.03262	11.5
284.06201	0.6
285.03693	0.9
297.00418	5.9
298.04883	1.0
299.05603	3.7
312.02850	7.1
313.03140	0.8
313.07056	1.5
327.05090	100.0
328.05450	8.3
341.06631	1.2
342.07428	62.6
343.07803	5.9
357.09784	37.0
358.10071	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	357.1193
Annotation	Junipetrioloside A
Peak:m/z	Relative Intensity
53.27808	0.6
57.03330	1.8
58.73533	0.7
59.01247	6.2
67.05404	3.0
68.99694	9.7
69.03334	4.7
71.00755	1.3
71.01256	10.5
71.01617	0.9
72.99185	1.3
75.00732	0.7
81.03341	1.0
83.01266	1.7
83.04904	0.9
85.02837	3.5
87.00756	15.3
93.03349	0.7
95.04915	1.6
96.99187	8.3
99.00792	1.2
107.04897	1.3
109.06482	1.0
111.04412	20.8
115.00264	40.6
119.04944	0.9
121.06485	2.0
122.03712	0.8
123.04420	1.1
125.05978	2.2
125.09621	2.7
127.00330	0.8
135.04385	1.2
137.05992	1.8
149.05986	1.1
151.03955	1.2
165.05434	1.0
169.08620	1.5
174.01645	0.8
175.02408	100.0
176.02794	4.3
181.08624	9.1
195.10260	2.0
199.09700	16.5
223.09814	1.1
235.09781	1.8
292.94525	0.7
327.10809	3.3
339.10941	1.4
357.11923	47.0
358.12228	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	357.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07657	0.6
54.88464	0.6
56.61360	0.6
65.00216	0.6
66.81513	0.6
70.23166	0.6
71.68794	0.6
121.02851	0.9
165.01836	1.8
175.90778	0.6
182.03622	4.6
185.02386	0.9
197.02330	0.7
197.06004	4.0
198.03201	6.1
209.02396	0.7
210.03200	6.6
212.01102	4.4
213.01878	1.4
214.02605	1.3
222.03328	1.1
225.01872	0.9
225.05501	1.5
226.02689	13.1
227.03026	0.8
229.01385	3.2
230.02153	1.1
237.01897	0.8
238.02696	7.7
239.03105	1.0
240.00624	0.9
241.05000	2.4
242.02238	0.9
243.06543	1.0
253.01456	1.4
253.05037	2.4
254.02177	29.9
255.02464	2.7
257.01013	0.9
259.06137	0.7
265.01450	0.7
266.02203	33.4
267.02542	2.5
269.04584	4.2
275.63116	0.7
281.01477	1.1
281.04562	12.0
282.01712	65.8
283.02066	5.2
294.01712	0.9
297.04068	46.4
298.04346	4.9
310.01233	10.9
311.01453	0.7
325.03537	100.0
326.03888	9.8
327.05112	0.8
357.06171	43.8
358.06400	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	356.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51597	33.1
70.87451	100.0
85.24320	31.8
99.97466	31.3
121.02867	69.1
130.10075	32.0
143.72993	33.7
197.71106	34.2
296.06976	69.0
311.44385	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03887	0.5
52.86126	0.6
55.00779	0.7
55.41624	0.6
55.94191	0.6
59.01255	11.4
70.01179	3.0
75.35524	0.5
79.73976	0.6
85.02766	0.5
95.63178	0.5
121.02836	2.8
121.76888	0.5
135.02242	0.6
136.51462	0.5
151.00237	0.7
151.03981	0.9
157.78320	0.5
165.01889	1.0
176.01070	7.4
177.01740	0.8
182.03593	1.0
184.82248	0.6
197.02348	0.8
198.03133	1.4
200.01089	5.6
201.01521	0.9
202.98018	0.8
202.99814	11.2
212.01021	0.8
213.01920	2.3
214.02615	1.8
223.13249	1.3
225.01794	1.3
226.02696	6.0
227.03241	0.8
237.02023	0.6
238.02682	2.1
241.01477	1.4
242.02185	2.3
253.01331	1.2
254.02177	13.6
255.02902	2.9
266.02319	3.1
269.00830	0.8
271.02573	4.1
281.00879	1.1
282.01706	8.0
283.02612	3.6
283.05176	0.6
284.03253	1.1
294.02322	0.6
298.04785	1.7
299.01996	4.4
310.01193	100.0
311.01669	12.2
312.02594	1.4
314.04269	2.3
324.03079	1.0
325.03528	57.4
326.03906	5.9
327.01523	1.2
327.05167	4.4
342.03574	1.5
342.07489	3.6
357.06155	90.4
357.09671	3.2
357.26288	0.9
358.06421	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	356.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31085	1.3
59.01240	2.5
63.02263	7.4
65.00181	12.6
65.26276	1.6
65.99712	3.7
67.01737	2.9
68.85483	1.8
68.99683	1.5
69.24139	6.9
69.24572	9.7
71.01228	1.4
81.78809	1.4
83.01248	10.7
90.51098	1.5
93.03332	2.1
95.01265	9.0
96.99174	3.3
98.19836	3.8
99.00738	5.6
107.01286	16.6
109.02856	9.7
109.99998	12.8
111.00786	15.6
118.02860	2.7
118.67402	1.5
120.00780	2.6
121.02872	11.1
122.02303	1.7
123.00800	10.7
124.01572	7.2
125.02370	10.9
125.63560	1.5
130.08531	1.7
133.02827	4.2
134.02357	2.2
135.00720	2.9
136.01561	27.7
136.98651	7.1
137.02293	5.3
137.99500	5.7
139.00261	25.5
139.03810	2.2
141.01793	3.8
143.04858	2.3
145.02820	3.8
146.02373	2.8
147.00751	2.3
147.04359	2.2
148.01503	3.4
148.03914	5.1
149.02351	13.5
150.99150	2.5
151.00291	42.4
151.02843	2.4
151.03926	33.3
152.01062	13.3
153.01566	4.7
158.02315	3.7
159.04398	3.4
160.03903	4.2
161.02397	9.8
162.01894	10.8
163.00258	12.0
163.02411	1.7
163.03873	4.7
164.01041	13.5
164.98250	14.0
165.01816	5.1
165.98984	12.1
166.99800	12.4
169.01347	12.1
170.02383	2.4
171.04413	2.8
173.02388	2.2
175.00230	4.6
175.03912	3.8
176.01041	2.3
176.03435	13.5
177.01871	16.1
178.99786	41.8
180.00089	2.3
183.04387	3.0
185.02457	1.7
185.06036	2.3
186.01851	13.5
186.03217	1.8
187.03856	4.8
188.03369	3.5
189.01816	4.0
190.01254	3.1
192.00513	7.7
192.02863	1.9
192.97626	2.4
193.01338	19.0
193.98537	2.1
194.99336	11.0
195.04401	2.2
198.01854	5.6
199.03941	3.6
200.03194	1.7
201.01913	2.6
202.01321	13.7
202.99709	2.9
203.01894	2.2
204.02779	4.8
205.01254	2.4
206.99223	4.3
208.00008	4.2
209.00491	3.6
211.03905	6.8
212.03418	3.4
213.01880	2.1
213.05391	2.1
214.01256	14.1
215.03577	7.9
216.02800	3.5
218.00839	3.9
219.02823	2.9
220.02420	3.4
227.03313	5.5
228.02913	2.8
229.05019	2.8
230.00792	10.4
238.05043	1.9
239.03377	4.4
240.02348	1.8
241.01253	4.2
241.04977	2.0
242.02087	7.0
242.04327	2.2
243.02959	10.7
244.03482	2.8
246.00641	2.1
252.03061	1.9
255.02957	8.5
257.04477	5.3
259.02332	3.0
266.04477	4.3
267.02808	4.6
270.01532	6.6
270.04156	3.6
271.02493	18.9
272.02985	5.7
282.04041	3.1
283.02420	9.4
284.05573	3.2
285.04028	8.2
287.01923	9.5
288.02429	4.8
289.03510	3.5
294.03964	5.3
298.01068	6.6
299.01956	17.0
300.02509	2.5
301.03510	9.1
310.03482	8.8
311.01959	33.5
312.01917	3.1
312.05130	3.9
313.03430	1.9
316.02240	100.0
317.02780	8.9
320.01828	4.6
328.04443	4.2
329.03003	18.6
338.03052	29.6
339.03366	3.6
342.10889	2.4
356.03912	71.3
357.04358	7.0
357.13129	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	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
55.80205	1.0
62.56208	1.1
71.57542	1.4
80.58294	1.3
85.02808	2.4
107.04952	2.0
109.02825	3.5
111.00766	1.6
122.03635	15.9
127.07566	3.0
135.04428	31.7
136.01590	2.9
142.96091	1.3
147.08083	2.6
149.05988	2.4
149.09644	8.2
151.07600	5.0
154.02638	3.6
154.39287	1.3
161.09673	9.2
163.07565	4.0
163.11206	65.2
164.08365	20.5
164.11511	3.1
165.09108	12.2
177.09145	80.1
178.09911	24.2
179.10713	89.3
180.11024	6.2
183.10223	2.9
187.11230	1.6
191.10698	15.3
192.11055	1.2
193.08669	10.9
253.34525	1.2
265.12228	2.3
280.14578	3.8
296.18542	1.2
298.15750	66.3
299.16116	4.9
309.22339	2.8
321.18759	1.5
337.21756	56.3
338.22147	6.1
340.20441	91.3
341.20706	8.9
355.22806	100.0
356.23154	11.9
373.11765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
58.00466	0.6
59.01255	11.8
66.48288	0.4
71.01260	8.0
71.26469	0.4
71.44280	0.8
72.99192	1.5
73.02810	0.5
75.00768	0.6
78.99425	0.4
83.01297	0.7
85.02833	1.8
87.00782	0.6
89.02316	5.3
95.01292	0.7
97.02880	0.4
99.00788	0.5
101.02309	3.1
103.00257	0.5
109.02839	0.6
113.02307	4.2
117.03415	0.7
119.03422	1.0
119.04895	0.4
121.02892	0.6
125.02351	0.6
129.15904	0.5
132.02071	16.0
133.02840	1.4
134.03635	21.4
135.03967	0.9
137.02391	1.2
147.04408	2.6
148.05199	1.1
149.02356	0.5
149.05989	5.8
151.03906	3.0
160.01573	70.3
161.01903	2.9
164.04594	0.4
174.03156	0.8
175.03928	100.0
176.04520	6.7
177.01904	1.0
177.05334	0.4
178.02710	2.7
191.07072	8.1
193.03596	1.2
193.04984	30.2
194.05360	1.5
202.02640	1.6
207.06641	2.4
217.05046	5.5
220.03569	0.6
235.03738	0.7
235.06108	14.8
265.07156	6.1
278.54529	0.4
280.41748	0.4
291.15424	0.5
295.05017	1.0
295.08221	14.5
296.08600	1.2
321.40048	0.4
355.10269	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	355.1035
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
50.71989	0.8
59.01247	2.2
63.39896	0.8
67.17813	1.0
69.54388	3.8
69.54813	2.7
77.96499	0.8
85.02804	0.9
93.03336	2.0
111.00787	0.9
112.98531	0.8
113.02361	1.1
121.02802	2.0
132.02090	1.2
133.02835	2.3
134.03635	73.2
135.03964	2.8
135.77144	0.8
137.02348	9.1
139.03897	3.3
147.71603	0.8
149.05997	19.7
150.03181	1.2
150.06328	1.3
153.15118	0.8
160.01605	5.6
175.03943	8.2
176.04285	1.1
178.02632	43.4
179.02994	2.2
191.05560	2.1
192.05843	1.1
193.04985	100.0
194.05342	5.9
206.06090	0.8
292.42429	0.8
308.29416	1.0
355.10373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.25110	2.2
57.03312	2.4
58.00462	2.7
59.01248	28.3
69.77328	3.7
69.77740	11.6
71.01247	22.2
72.99178	5.1
83.01257	5.2
85.02841	6.8
89.02333	9.8
93.03320	3.8
95.01273	3.0
98.19852	3.7
99.00765	3.1
101.02329	7.1
107.04961	2.9
111.00778	4.7
111.04456	3.3
113.02333	8.6
115.79174	2.3
119.03461	2.9
132.02078	7.9
133.02876	5.3
134.03625	69.4
135.04309	2.6
137.02347	4.9
147.04465	4.3
148.05191	2.8
149.02425	2.8
149.05977	20.1
160.01570	45.5
163.03902	3.6
171.05585	2.1
173.04497	3.0
173.05885	2.2
175.03917	62.0
176.04688	19.2
177.01822	4.8
178.02657	10.8
182.49248	2.0
191.05490	5.9
191.07031	35.8
192.05908	3.6
193.04967	100.0
194.05327	4.4
207.06560	7.7
217.05078	8.6
220.03738	4.8
223.06018	3.7
235.06100	65.2
236.06435	4.8
250.02122	2.5
265.07120	31.7
295.08203	65.3
296.08566	5.1
355.10532	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	355.0882
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
50.43411	4.3
57.03316	10.0
59.01245	38.0
65.81396	4.6
69.03346	5.6
70.91873	13.7
71.01253	44.5
72.99177	43.0
73.02811	17.8
74.42172	4.4
75.00758	21.6
77.50439	4.3
78.95773	9.4
83.01239	5.6
85.02828	45.1
87.00738	19.5
87.80790	4.2
89.02316	18.7
95.01257	8.3
96.96806	4.8
99.00761	8.2
101.02319	18.2
103.00236	9.7
103.61450	4.1
113.02326	61.6
115.00256	6.4
129.01811	13.8
131.03401	17.9
133.01285	5.5
144.44022	4.2
157.01280	5.9
175.02412	17.9
193.03473	100.0
193.07144	9.5
198.42595	4.3
235.04588	41.4
265.05664	7.5
337.07721	33.5
355.08823	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
54.31983	1.8
59.01257	8.8
60.73852	1.6
71.01257	13.0
71.16320	4.1
72.99171	10.2
73.02816	4.7
73.70971	1.6
74.25951	1.7
75.00757	9.0
79.46299	1.7
83.01266	3.4
85.02827	12.4
87.00758	5.8
89.02323	2.5
95.01274	3.2
97.02849	3.2
99.00783	2.9
101.02319	2.4
103.00253	2.3
109.02852	2.0
111.00803	1.9
113.02318	14.9
113.99471	3.4
115.00256	7.8
116.29532	1.5
121.02838	4.6
123.04383	3.0
124.79164	1.6
125.02326	2.7
131.03386	2.5
134.02647	2.6
134.03644	39.2
137.02344	7.3
149.02342	8.0
149.06006	13.7
150.03076	2.1
151.03915	10.3
163.03905	2.3
165.01857	3.2
174.01611	76.9
175.00558	1.8
175.02299	8.7
175.03758	2.5
178.02621	16.3
179.07080	4.4
191.05556	2.7
193.01352	12.5
193.03433	18.0
193.05002	67.7
194.05345	3.0
199.17468	1.7
207.06593	1.7
209.08043	2.7
215.63583	1.6
216.17957	2.1
221.08185	2.2
235.04428	10.5
237.07719	4.8
265.07196	10.2
276.31427	1.8
277.07114	3.7
288.56860	1.8
295.08188	15.6
337.07755	7.1
355.06940	3.5
355.10336	100.0
356.07040	2.8
356.10736	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	353.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68082	0.5
50.73563	0.5
54.91654	0.4
56.67623	0.5
59.01245	1.0
60.28671	0.5
68.23312	0.5
68.77184	0.5
71.57735	0.8
79.95618	13.8
80.96415	1.3
94.97960	1.4
95.95113	3.2
96.95899	96.9
97.39930	0.5
112.87113	0.5
115.24966	0.6
122.41650	0.5
122.97477	4.4
126.24783	0.5
145.96161	0.5
153.48824	0.5
159.72363	0.5
176.21289	0.6
191.05504	1.8
199.68651	0.6
220.10776	0.6
249.14958	0.5
309.30917	0.8
315.48438	0.5
353.20059	100.0
354.20370	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	353.2124
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.57841	0.3
54.41294	0.3
58.53681	0.3
59.42644	0.2
71.05846	0.4
71.06187	0.6
81.11436	0.3
96.95892	0.5
104.37078	0.2
107.04885	0.3
107.16624	0.3
161.05946	0.5
163.11203	100.0
164.11528	6.5
170.87949	0.3
177.09132	76.6
178.09486	4.9
190.10037	0.4
222.08980	0.6
309.17245	0.3
353.21216	99.8
354.21567	13.1
354.26047	0.4
361.12436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
58.08858	0.4
59.01258	2.8
60.99158	0.7
63.57039	0.3
67.01759	1.6
69.03314	0.6
71.01257	1.4
72.99191	1.1
73.02818	0.7
81.03352	0.4
83.01302	0.5
85.02831	8.8
85.93013	0.3
86.03178	0.4
87.00758	4.2
89.02312	0.5
90.13457	0.4
90.98466	0.3
93.03342	11.8
94.03725	0.4
99.00759	0.8
106.04136	0.4
107.04897	1.8
108.02062	1.0
109.02830	0.6
111.00760	0.8
111.04403	2.1
113.02348	1.5
121.02836	0.6
127.03880	2.0
129.01884	0.6
133.02840	1.4
135.04440	1.3
137.02322	0.6
141.99222	0.3
142.57616	0.3
145.06458	0.6
153.01888	0.3
155.03435	0.3
160.95656	0.3
161.02373	2.1
163.07468	0.4
164.92825	0.3
171.02953	0.7
173.04480	12.8
174.04794	0.5
178.80052	0.4
179.03416	8.0
179.19783	0.3
180.03795	0.4
189.05544	0.7
191.05553	100.0
192.05902	4.0
207.05156	0.8
319.41721	0.4
335.06354	0.8
353.08777	4.0
353.12988	0.6
354.09421	0.5
354.67245	0.3
355.54282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
58.65337	0.2
59.01244	1.4
60.43845	0.2
67.52233	0.2
70.19328	0.8
71.01252	0.9
81.03333	0.5
85.02821	7.0
87.00758	1.2
93.03355	2.7
99.04382	0.3
109.02805	0.5
111.04399	1.1
127.03887	1.5
133.02837	0.3
135.04411	2.2
155.03427	0.3
161.02342	2.1
171.02937	0.5
173.04468	2.0
179.03410	2.4
180.03772	0.3
191.05540	100.0
192.05905	3.9
231.56329	0.3
335.28024	0.3
353.08713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12251	0.2
54.64166	0.2
57.03324	0.5
59.01257	1.9
60.99174	0.7
65.75911	0.2
67.01762	1.6
69.03320	0.6
69.24583	2.2
70.61839	0.2
71.01261	1.6
72.99161	0.5
73.02801	0.4
80.96398	0.7
81.03322	0.4
83.04903	1.0
85.02822	10.0
87.00755	3.5
88.67591	0.3
91.07539	0.2
93.03339	10.3
94.03660	0.4
98.20541	0.5
99.00770	0.4
99.04405	0.4
102.05502	0.5
107.04916	1.0
108.02076	0.5
109.02839	1.9
111.00769	0.3
111.04402	2.6
113.02312	0.8
115.03894	0.2
121.02840	0.6
123.04383	0.3
127.03918	2.2
128.03441	0.4
129.01787	0.2
133.02869	1.1
134.03647	0.3
135.04431	2.4
146.04475	0.6
149.02325	0.3
155.03409	0.7
161.02361	2.5
163.03812	0.2
164.04546	0.2
171.02940	0.5
173.04482	8.0
174.04729	0.3
179.03412	4.3
182.54492	0.2
191.05548	100.0
192.05905	4.1
192.07513	0.2
193.05045	0.2
214.29433	0.2
335.06494	0.3
353.08612	2.7
354.06036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.5
59.01252	6.1
67.01746	1.4
71.01254	7.2
71.57140	1.4
72.99190	3.6
73.02809	1.5
75.00745	3.9
83.01257	6.4
85.02345	1.3
85.02830	17.4
85.99966	0.8
87.00746	8.6
92.56532	0.9
93.03336	5.2
95.01256	3.7
97.02863	1.0
99.00750	5.0
103.00223	1.7
111.00769	13.0
111.04378	2.4
113.02341	16.8
117.01811	1.9
127.03874	1.3
129.01819	4.3
135.04379	2.1
150.91167	1.0
161.02335	2.3
172.03827	1.1
173.04446	2.4
175.02364	2.7
179.03438	2.8
190.45049	1.1
191.05548	100.0
192.05849	3.5
193.03433	3.5
221.07344	0.9
235.04581	1.1
238.51526	1.0
308.38992	1.1
335.06161	13.8
353.07541	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98531	0.6
51.63674	0.7
59.01254	4.8
62.17877	0.8
63.31574	0.7
69.27930	8.7
69.30651	0.7
71.01240	1.1
71.55286	0.7
73.94729	0.7
82.02838	2.5
85.02809	1.8
90.84732	0.9
91.05392	1.1
93.03334	2.1
98.05992	0.7
100.03902	1.0
102.05487	20.2
108.02028	0.8
111.06694	0.7
113.02309	1.1
117.03320	1.6
119.04921	1.6
121.02846	17.6
122.03111	0.9
128.03419	42.3
132.02084	1.0
135.04424	1.5
137.02390	0.9
146.04491	71.9
147.04520	3.3
149.02345	100.0
150.02681	3.6
151.03899	2.0
158.86568	0.8
163.03900	3.6
164.04698	88.3
165.05042	4.2
172.02423	3.4
173.04471	1.0
175.00294	3.7
176.00964	0.7
176.04729	0.9
177.01814	4.9
178.06268	2.7
179.07057	51.0
180.07376	2.6
189.05435	0.8
190.02640	11.3
190.05119	0.8
191.03516	1.1
191.05536	4.8
191.07130	1.5
192.04292	1.5
202.30072	0.8
205.05019	24.6
206.05342	1.1
206.08109	1.6
207.06511	2.0
218.04538	1.3
220.05981	1.0
222.07758	1.4
223.06061	32.3
224.06425	1.8
232.06090	1.2
233.06822	1.4
234.07695	3.3
245.63611	0.8
249.98627	0.7
250.10345	0.8
260.05640	1.3
262.10834	11.0
263.11255	1.6
264.12360	2.0
270.68369	0.8
275.07883	1.0
290.10370	2.2
293.09058	1.1
308.11392	5.4
334.09320	16.1
335.09634	2.2
352.10376	41.1
353.10736	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	352.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68259	0.6
59.01253	2.5
59.11178	0.6
69.83606	3.7
71.01238	1.3
75.00733	0.7
82.02868	0.9
84.04412	0.8
85.02836	2.5
87.00739	1.0
93.03313	0.8
98.20541	0.7
99.00765	1.4
101.02306	1.1
101.05973	3.5
102.05490	41.5
103.05825	0.8
113.02366	1.1
121.02845	4.9
125.89053	0.7
128.03432	50.8
129.01846	1.1
129.03778	1.2
135.04372	0.7
136.50067	0.6
146.04497	100.0
147.04784	2.6
149.02353	37.0
150.02710	1.8
163.03958	1.9
164.04715	35.7
165.05186	1.1
169.54794	0.7
172.02399	1.8
175.00336	3.2
177.01863	0.8
178.06253	1.2
179.07069	20.5
180.07338	0.8
180.32845	0.7
190.02640	10.1
191.03458	0.9
191.05505	1.9
205.05037	16.9
223.06088	12.6
224.06363	0.7
233.07060	0.7
234.07651	1.6
260.05740	0.8
262.10846	4.5
278.48764	0.6
290.10446	1.1
308.11407	2.6
313.85760	0.7
334.09341	6.1
352.10211	14.2
353.11020	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	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65435	0.8
55.87832	0.9
57.03321	0.8
58.98698	0.9
59.01255	10.4
64.23395	0.9
67.01745	1.0
68.82923	0.9
70.49681	3.3
70.88713	0.8
71.01256	13.3
72.99178	3.7
73.82243	1.0
75.00740	13.0
85.02824	13.8
86.03131	0.9
87.00733	6.5
89.02328	2.7
95.01256	4.2
98.03216	1.0
99.00752	7.6
101.05963	100.0
102.05483	2.0
102.06290	1.9
104.39221	1.1
111.00813	0.9
113.02326	16.4
115.00242	1.1
117.01824	3.2
128.03441	2.1
129.01825	1.3
135.02879	1.1
138.21709	0.9
146.04478	3.3
149.02303	2.3
157.01407	0.9
163.57637	1.0
175.02414	1.3
176.33171	1.0
231.05112	1.5
233.10252	3.2
249.06114	14.6
250.13367	0.9
333.12012	2.2
351.12961	52.6
352.13290	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	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.2
59.01257	16.3
59.55911	0.9
60.77000	1.0
68.99699	1.2
69.38013	10.2
71.01257	14.4
72.92918	0.9
72.99176	5.5
73.02831	1.9
75.00755	16.4
83.01245	1.4
83.39108	1.1
85.02829	18.4
85.88871	0.9
87.00737	6.5
89.02311	3.4
95.01269	4.8
96.99239	1.0
99.00777	9.0
101.02323	1.9
101.05968	100.0
102.05492	2.6
102.06295	1.6
103.00270	1.7
107.33891	1.3
111.00794	1.1
113.02341	23.4
114.02639	1.0
115.00251	1.8
117.01845	3.4
119.04906	1.0
121.02859	2.1
123.04417	1.3
127.41816	1.0
128.03441	4.6
129.01839	1.8
133.02875	3.2
134.03636	1.6
146.04555	7.7
149.02412	5.7
164.04732	3.9
175.02406	3.2
175.03906	1.2
177.01830	1.4
179.07040	2.5
190.02690	1.5
193.03481	1.5
193.05003	1.5
205.05077	1.7
223.06172	2.9
231.05173	1.8
249.06158	5.3
267.07275	1.2
291.10901	1.5
333.11871	1.9
351.13010	57.6
352.13382	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57525	0.5
57.03330	5.2
59.01248	2.3
69.03331	11.0
71.01254	1.0
71.04909	3.8
71.58398	0.8
73.02815	0.6
83.04874	1.0
85.06485	0.9
89.02315	1.0
95.04900	0.6
111.08079	2.1
113.02305	0.7
121.06491	1.3
123.08036	2.1
127.07551	2.6
135.04453	0.6
139.11174	0.9
149.05975	1.2
151.13518	0.6
154.02678	0.9
158.28265	0.6
159.66037	0.6
165.09135	19.6
165.10478	1.3
166.09544	1.1
183.10199	2.9
186.78197	0.6
191.07060	0.8
231.86488	0.6
235.17044	3.1
277.18103	3.4
289.18124	0.9
305.21246	1.8
313.17944	0.8
331.19067	4.3
343.83499	0.7
349.20215	100.0
350.20450	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	349.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	6.0
59.01245	1.7
66.37354	0.4
68.15366	0.5
69.03333	10.2
69.39932	1.4
69.40335	4.3
71.01254	1.0
71.04906	3.9
71.70892	0.5
74.27129	0.5
75.00758	0.7
77.90050	0.5
85.06462	1.3
89.02333	0.8
98.82624	0.5
99.64449	0.5
111.08040	1.9
120.61388	0.5
121.06491	0.5
123.08051	1.5
135.04379	1.1
137.09575	1.3
139.11208	1.8
149.05972	0.7
165.09135	19.1
166.09422	1.5
183.10184	3.0
191.03375	0.6
201.67128	0.6
207.13893	0.6
217.12155	0.5
224.12294	0.6
235.17094	3.5
277.18155	3.4
289.18106	2.2
298.20749	0.5
305.21332	1.8
309.48627	0.5
331.19354	0.7
349.20212	100.0
350.20499	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	349.1869
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01761	3.2
57.02880	1.3
57.03327	4.0
58.00471	4.4
59.01254	100.0
69.82816	6.2
71.01257	71.6
72.99188	4.3
73.02826	7.2
75.00799	1.5
80.17860	1.1
83.01242	5.5
83.41627	1.3
85.02831	19.3
87.00756	4.6
89.02322	65.8
93.03339	2.2
95.01268	4.8
97.02866	1.4
99.00761	2.9
101.02324	48.4
102.02679	1.2
109.47728	1.1
113.02328	28.7
119.03395	24.6
131.03412	2.9
133.02805	1.2
134.03633	5.1
135.04425	3.0
138.64186	1.1
142.45860	1.1
143.03395	4.3
149.04443	2.1
159.02946	2.8
160.01573	3.5
161.02383	1.4
161.04478	11.8
173.04477	7.6
175.03955	3.1
179.03441	2.3
179.05551	7.9
185.11841	1.2
187.13361	8.2
193.04994	4.3
220.45723	1.4
245.56067	1.1
285.59885	1.3
349.09427	4.4
349.18668	9.5
356.89374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01765	2.0
57.03310	3.2
58.00473	2.8
59.01252	100.0
60.01581	1.9
60.13596	1.3
67.05075	1.2
67.13116	1.2
69.03336	1.5
70.02751	5.1
70.03174	2.9
71.01255	86.7
72.99171	3.1
73.02830	11.2
78.46564	1.3
83.01264	4.4
85.02827	21.8
87.00754	4.0
89.02318	68.4
90.02654	1.9
90.99810	1.7
95.01278	5.6
99.00751	4.4
99.04372	1.7
101.02324	47.3
102.02644	1.3
102.74764	1.3
113.02339	33.5
119.03394	30.8
131.03395	3.5
134.03629	7.6
135.04430	2.6
141.33858	1.2
143.03412	6.0
149.04446	2.7
159.02902	2.8
160.01585	3.4
161.02417	1.4
161.04462	18.6
173.04497	6.9
175.03899	4.9
179.03577	1.8
179.05537	6.6
187.13321	10.6
193.05009	7.2
349.09271	7.1
349.18683	39.6
350.19067	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	349.1868
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
53.88203	1.1
55.01756	3.0
55.74882	1.1
57.03318	3.3
57.34745	1.0
58.00455	3.6
58.05355	1.0
59.01253	100.0
60.01599	1.2
64.46241	1.1
69.03331	1.1
70.34561	4.5
71.01254	77.3
71.57515	0.9
72.30888	0.9
72.99172	5.5
73.02814	7.7
73.48665	1.1
75.00747	1.9
80.63432	1.1
83.01263	5.2
85.02820	21.6
85.03291	1.8
87.00748	3.8
87.04379	2.5
89.02319	61.7
93.03356	2.9
95.01284	5.7
99.00736	4.1
99.04386	8.0
101.02325	41.8
113.01537	1.7
113.02334	33.6
114.02631	1.1
119.03389	27.5
131.03384	2.3
132.02118	1.2
133.02855	2.3
133.06819	2.2
134.03665	6.6
135.04402	2.0
139.53165	1.1
141.72011	1.0
143.03395	4.8
149.04379	1.7
149.06032	1.7
155.03505	1.1
155.35672	1.0
159.02959	2.4
160.01605	6.6
161.04468	16.9
173.04486	8.2
175.03937	5.6
179.03459	2.3
179.05559	4.5
187.13330	10.2
193.05000	5.7
201.11148	1.2
265.35739	1.1
267.07297	1.2
284.36169	1.1
319.83652	1.2
349.08939	6.2
349.18634	23.5
350.19061	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	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09224	1.3
55.01746	3.0
57.03316	4.2
57.07847	1.3
57.56597	1.3
58.00451	3.1
59.01252	100.0
69.33463	14.1
71.01257	79.5
72.99170	5.4
73.02821	9.0
83.01247	5.0
85.02822	21.0
87.00762	3.8
89.02320	62.0
93.03338	1.7
95.01257	5.8
99.00751	3.7
101.02326	47.4
101.03001	2.2
113.02333	31.7
119.03391	22.7
125.02337	1.4
131.03354	1.9
132.02031	1.6
133.02795	1.9
134.03624	7.0
135.04390	3.3
143.03365	3.8
149.05946	2.4
159.02917	2.5
160.01524	5.2
161.04506	10.1
173.04442	6.7
175.03885	5.9
179.03430	2.2
179.05478	6.6
187.13297	7.9
193.04988	4.8
345.67722	1.5
349.09247	3.7
349.18622	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	349.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.9
57.03319	2.3
58.00467	2.1
59.01252	60.9
67.01769	3.1
69.03330	1.7
70.32502	0.5
71.01255	53.6
71.57778	0.8
72.01602	0.6
72.99183	3.9
73.02819	6.5
75.34468	0.4
76.26978	0.4
81.03323	2.2
83.01251	3.7
83.04897	2.2
84.02051	0.5
85.02824	12.7
87.00755	4.3
87.04430	0.7
87.06279	0.4
89.02321	41.9
90.02673	0.4
93.03335	25.5
94.03652	0.5
95.01263	3.3
95.04923	0.7
97.02847	0.8
99.00780	2.8
101.02327	32.2
102.02767	0.4
105.03343	2.5
108.02077	0.5
108.51751	0.4
109.02851	1.6
111.00782	1.1
111.04408	7.4
113.02335	20.0
117.03355	3.3
119.03390	16.7
119.04854	1.2
121.02850	0.9
125.02340	1.4
127.03909	1.3
129.01814	0.5
131.03415	1.5
132.02065	17.5
133.02861	22.3
134.03633	91.0
135.04337	4.0
136.01524	0.6
137.02330	5.8
139.03912	0.7
143.03436	2.9
147.04468	1.1
149.02368	0.6
149.04681	1.1
149.05988	24.1
150.03125	0.4
150.06284	0.6
155.03426	7.1
159.02847	0.8
160.01575	79.1
161.02046	4.7
161.04465	7.1
161.05806	1.1
162.03072	1.0
173.04475	100.0
174.04855	3.2
175.03928	60.2
176.04277	3.0
177.01831	5.0
178.02629	3.4
179.03435	3.1
179.05501	3.9
185.11829	0.5
187.13326	6.1
193.04996	80.6
194.05321	4.1
205.03252	0.5
205.05002	1.5
224.08023	0.5
334.06924	7.0
335.07117	0.7
348.39987	0.5
349.09274	73.9
349.18301	5.7
350.09637	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	347.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70671	18.6
59.01252	48.5
71.57796	17.4
71.58224	36.6
71.99615	20.0
74.67336	18.5
86.22466	15.9
100.66923	17.8
105.90191	18.5
194.23221	22.4
201.73256	17.9
278.15128	21.8
291.19626	52.0
309.20816	100.0
347.15491	85.3
347.22382	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10292	0.6
59.01236	0.8
71.01249	0.9
89.88415	0.8
98.20563	1.5
101.02386	0.6
133.06502	5.5
147.08028	0.6
149.05966	4.5
173.09654	2.7
183.14029	0.6
253.19621	3.5
254.20044	0.9
267.17487	1.1
269.19101	12.4
270.19431	1.4
271.20709	19.4
272.20987	1.7
273.18460	0.9
287.20175	2.1
297.18585	1.1
303.19714	1.7
303.26843	1.4
315.19659	100.0
316.19989	9.9
347.22247	51.9
347.26007	24.9
348.22580	4.2
348.26328	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62343	0.4
57.03325	0.8
59.01253	6.5
59.02822	0.4
63.26708	0.4
67.01756	3.5
69.03342	1.0
71.01257	8.1
71.58071	0.7
72.01613	0.5
72.99168	0.6
73.02840	0.9
81.03340	1.8
83.01255	0.5
83.04903	1.6
85.02832	2.0
87.00773	1.3
89.02341	1.7
89.03870	0.6
93.03345	27.6
95.01330	0.5
95.04906	0.8
97.02783	0.5
99.00764	1.4
101.02336	1.9
104.02576	0.5
105.03352	2.1
109.02831	2.1
111.00756	1.5
111.04412	7.1
113.02351	1.4
117.03358	3.0
119.03480	0.6
119.04931	1.0
123.37103	0.5
127.03914	1.9
132.02080	17.4
133.02872	22.0
134.03645	90.7
135.04378	4.3
136.01596	0.8
136.47090	0.5
137.02368	4.8
139.03938	0.9
147.04416	1.2
149.06003	22.5
150.06377	1.3
155.03418	6.2
160.01585	86.6
161.02063	3.8
161.04427	0.6
162.03127	0.7
173.04489	100.0
174.04822	3.2
175.03940	64.5
176.04320	3.0
177.01877	4.9
178.02638	3.8
179.03442	4.4
185.10170	0.4
193.05016	84.4
194.05342	3.8
205.05028	1.2
232.00475	0.5
334.06976	5.9
349.09311	78.8
349.18326	1.9
350.09570	6.6
357.75824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01744	1.7
57.03322	5.0
58.00456	1.3
59.01252	62.1
62.76848	1.2
69.03339	6.4
69.69882	8.7
70.54925	1.3
71.01256	37.9
72.99184	4.2
73.02811	9.3
81.06956	4.6
83.01237	2.8
83.04871	1.2
85.02829	14.4
89.02313	8.3
99.00729	1.9
101.02313	10.0
103.03896	3.9
108.02069	1.3
113.02303	1.3
119.03400	1.4
125.09612	1.7
129.41924	1.2
137.09598	2.0
139.00359	1.4
147.02881	1.6
153.07878	1.2
153.09116	21.7
155.10690	17.1
156.11063	1.3
161.04478	2.6
165.09108	8.9
171.10107	1.6
183.10229	21.2
185.11763	7.0
199.09706	15.3
200.10059	1.9
237.03461	1.5
263.64056	1.3
317.16031	10.3
329.16074	17.6
347.17099	100.0
348.17422	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	347.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	7.1
57.03339	5.4
59.01249	19.6
67.05420	5.5
69.03330	18.9
69.53704	17.3
71.01264	15.6
73.02829	3.6
75.00729	3.1
83.64855	2.3
85.02834	8.3
89.02312	13.5
95.01270	3.2
101.02322	7.5
110.06007	5.5
111.04411	89.9
113.02337	5.7
116.04905	3.9
119.03469	4.1
119.04953	3.6
119.08496	3.3
122.06017	5.7
125.09620	8.5
128.03452	4.6
129.01805	2.3
134.03650	12.3
135.04456	3.3
137.09608	2.5
144.04443	5.1
147.02905	10.9
149.06041	16.1
153.83353	2.3
162.05502	3.1
169.08524	3.3
181.08620	37.9
199.09709	100.0
200.10037	5.7
206.75806	2.4
267.11505	3.3
285.12366	4.1
317.72214	2.4
347.13452	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	347.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11934	0.5
55.01759	6.8
57.03327	14.9
59.01257	8.2
61.93006	0.5
63.43684	0.5
67.05399	2.5
69.03329	48.2
70.03664	0.7
71.01251	6.9
73.02804	1.9
75.00748	2.7
77.89073	0.5
80.36597	0.5
83.01241	0.7
85.02824	3.9
85.06466	1.3
88.70265	0.5
89.02303	2.7
98.19769	1.4
99.00739	0.5
101.02322	4.7
111.08032	2.0
119.08560	1.5
125.09612	18.9
129.01836	2.0
137.09637	2.7
138.94591	0.6
147.02879	8.8
153.09225	0.8
155.10704	3.9
161.04439	0.6
165.03983	1.0
165.09103	0.6
169.08618	4.2
171.18933	0.6
181.08656	0.6
183.10194	2.7
199.09694	100.0
200.10037	5.1
305.41586	0.6
319.12939	0.6
329.16125	0.5
347.13254	10.2
347.17169	6.0
348.13715	0.8
348.17700	0.8
350.57224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94586	2.6
55.01761	4.2
55.38607	3.9
57.03312	4.6
59.01255	34.1
65.68851	3.0
67.05402	7.5
69.03317	13.6
71.01253	30.4
71.57224	3.4
71.57594	4.5
72.99158	4.7
75.00730	4.9
85.02826	11.0
89.02322	21.1
94.60847	3.1
101.02315	16.7
110.05957	8.6
111.04410	66.8
113.02354	7.7
114.45934	3.1
115.07519	9.1
116.04880	3.8
119.03397	4.4
122.06001	11.5
125.09604	9.1
128.03426	3.2
128.58656	3.7
134.03642	31.0
135.04387	8.9
144.04427	6.0
147.02885	8.8
149.05971	27.5
161.04538	3.8
162.05502	12.0
181.08646	25.4
188.03383	3.9
199.09708	100.0
267.11371	6.1
278.13608	3.2
285.12439	12.3
347.13486	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	345.2072
Annotation	Cespihypotin P
Peak:m/z	Relative Intensity
63.50929	0.9
63.51267	0.9
70.63912	2.3
95.04890	2.7
131.04910	1.1
132.05661	1.0
133.06509	12.2
139.00293	0.8
139.86339	0.9
221.13304	0.9
237.12825	1.5
246.06421	0.9
251.18044	21.8
252.18306	2.0
267.17529	8.5
268.17957	1.1
269.19116	100.0
270.19452	9.0
271.16965	0.9
283.17004	1.8
313.18094	9.6
345.20782	5.1
347.86194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2072
Annotation	Cespihypotin P
Peak:m/z	Relative Intensity
50.59989	0.6
55.77589	0.6
70.02412	2.0
70.02816	1.6
73.13864	0.6
95.04911	3.7
101.70498	0.7
128.52567	0.8
131.04912	2.5
132.05724	0.9
133.06503	14.0
134.06844	0.7
154.07111	0.7
239.18103	0.9
251.18042	28.5
252.18402	3.0
267.17496	4.6
269.19122	100.0
270.19479	12.1
271.17212	0.9
283.16965	1.3
313.18097	2.1
345.20718	12.6
346.21017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2069
Annotation	Cespihypotin P
Peak:m/z	Relative Intensity
50.88987	1.4
57.38573	1.4
59.01245	6.3
60.67577	1.4
69.33103	14.9
79.05393	6.3
90.27729	1.6
95.08540	6.9
96.23412	1.4
97.69559	1.4
98.20560	2.9
112.32759	1.5
126.02980	1.6
133.06499	5.7
137.78636	1.4
139.07518	6.6
149.05978	6.5
161.09601	2.4
173.09631	12.9
181.12212	2.0
183.42899	1.5
251.17982	5.6
267.17578	5.8
269.19168	20.9
270.19675	2.7
285.18643	5.6
313.18106	91.3
314.18427	11.0
337.03998	1.6
345.20706	100.0
346.21164	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.207
Annotation	Cespihypotin P
Peak:m/z	Relative Intensity
51.32153	1.4
56.01921	1.2
58.00470	2.3
59.01250	2.5
61.21761	1.4
69.74450	9.9
79.05405	2.0
88.83435	1.4
95.04910	4.0
95.08549	5.9
98.34743	1.4
99.86747	1.2
109.06497	4.0
127.42075	1.5
133.06557	2.0
149.05968	4.2
161.09618	4.8
163.11156	1.4
173.09633	9.4
181.12349	2.5
253.15932	1.7
267.17480	5.0
269.19104	100.0
270.19611	9.3
313.18115	98.3
314.18478	9.9
345.20663	48.2
346.20935	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	345.1708
Annotation	Caesalmin G
Peak:m/z	Relative Intensity
59.01240	6.7
59.29322	2.3
69.31834	18.7
69.32237	3.6
71.01250	2.8
83.04887	4.1
88.46801	1.9
93.03341	2.6
95.01303	2.0
97.02824	4.2
105.06974	10.3
106.66378	2.0
107.04913	2.9
108.02065	19.8
109.02882	2.6
111.04394	2.1
117.03336	9.3
119.04915	17.7
121.06474	3.3
122.03623	5.8
122.60027	1.9
123.00805	2.5
123.08053	100.0
124.08379	4.5
125.02316	5.7
127.03886	2.7
133.06517	3.7
135.04451	6.0
136.05226	11.7
137.02316	12.8
142.18655	2.3
147.08041	5.7
150.03091	5.1
151.00270	24.2
159.08072	27.2
161.02335	20.9
161.05920	2.5
161.09546	2.2
162.03146	12.7
163.03882	7.7
163.11195	3.9
163.14874	2.1
175.07672	11.4
176.07980	2.2
180.04189	6.5
189.12747	7.8
203.07085	31.7
207.13849	6.0
225.12831	3.4
239.17990	7.1
241.15901	4.8
255.17542	10.6
257.18964	1.9
265.16077	4.6
283.17017	30.6
299.16559	10.7
301.18314	11.7
303.16223	4.1
309.14929	6.3
317.17639	2.8
327.16037	76.2
328.16388	8.0
345.17041	22.4
345.20627	3.9
345.24829	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	345.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.0
59.01254	8.8
70.01193	3.6
71.01260	3.6
72.99193	1.5
75.00745	9.4
81.20263	0.6
85.02826	2.2
89.02325	2.7
90.51002	0.6
101.02347	0.6
111.08027	1.6
113.02321	2.2
117.01793	1.2
119.03454	0.7
119.08495	0.8
135.02896	30.6
139.66913	0.6
158.12650	0.6
165.12766	30.5
166.13101	1.5
170.82230	0.8
171.10088	0.9
183.13834	100.0
184.14151	5.9
209.11833	2.0
227.12846	70.2
228.13216	4.5
241.35664	0.6
345.05984	0.8
345.15512	11.1
345.22440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	4.6
57.03318	3.1
58.00460	4.2
59.01254	100.0
65.98342	1.3
69.56864	9.9
71.01257	86.2
72.03448	1.2
72.99183	4.7
73.02823	15.4
83.01260	7.6
85.02821	31.5
85.44716	1.3
87.00757	2.4
89.02322	45.1
94.21046	1.4
95.01263	8.9
98.20517	2.7
99.00758	6.7
101.02324	50.6
101.03003	2.5
107.93650	1.5
113.02333	33.3
114.02685	1.5
119.03386	16.1
121.10131	15.1
124.07578	1.2
125.24313	1.4
132.04488	6.8
133.05215	2.6
143.03398	1.8
150.33466	1.4
159.02896	3.2
161.04475	12.4
165.04224	4.4
165.09122	4.2
181.60056	1.3
188.97490	1.2
214.12399	1.8
235.64357	1.5
238.35832	1.4
247.08546	1.6
257.12943	3.9
260.93781	1.4
301.11975	3.3
345.10986	8.8
345.15494	35.6
346.15640	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	345.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.9
57.03319	2.4
58.00467	3.6
59.01250	100.0
61.72639	1.0
68.18322	0.9
69.39703	9.3
71.01253	28.3
71.70929	1.1
72.99181	3.6
73.02817	13.5
81.03327	2.2
83.01272	2.6
83.04899	1.7
85.02825	18.8
89.02319	16.0
99.00723	1.0
99.04365	1.7
101.02319	18.4
103.03889	13.8
109.02824	1.5
114.10238	1.2
119.03390	6.3
119.08553	53.4
119.87268	1.0
120.08859	1.5
127.03864	2.2
132.90149	1.0
137.09618	4.3
163.06271	1.4
163.07547	28.6
163.83701	1.0
164.07904	1.8
165.09071	2.2
181.08594	2.4
250.53091	1.0
315.14651	1.4
327.14484	31.3
328.05136	1.2
328.14697	2.7
345.15564	23.5
346.15967	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	345.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83541	0.9
59.01253	8.3
62.37664	0.9
68.89852	0.9
71.01263	5.2
72.99181	1.0
73.02810	1.9
83.38706	0.9
84.04450	1.4
85.02827	2.3
86.02365	1.3
89.02311	3.3
92.12637	1.0
95.03642	3.0
96.08052	1.2
98.20554	3.0
101.02321	2.7
104.04942	2.1
106.06493	6.5
112.03939	1.1
113.02325	2.3
122.06035	2.4
124.07578	7.4
132.04453	45.9
133.05252	24.8
134.06061	7.2
136.11028	1.0
148.03949	3.2
150.05518	2.3
159.06935	1.1
165.04231	29.1
166.04633	1.1
166.35268	0.9
176.03430	2.1
176.07057	1.1
177.04286	4.8
178.04997	3.1
186.09166	3.2
187.08806	1.1
198.09184	1.4
209.03249	7.1
213.06699	3.2
214.12312	7.7
215.11819	7.9
224.10509	0.9
229.09811	5.9
229.67195	1.4
239.12132	1.4
240.10449	1.4
241.09778	3.1
254.06157	1.0
255.11346	1.8
257.12921	29.8
258.13226	2.8
283.10873	8.8
301.11923	20.5
302.12332	2.3
327.09885	3.2
345.10910	100.0
345.15027	4.2
346.11154	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	345.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.9
59.01244	13.8
59.68180	1.2
69.03335	3.7
71.01257	6.3
73.02804	1.7
73.72646	1.3
75.00753	1.7
84.04420	1.7
85.02834	3.1
89.02322	4.2
93.03347	1.9
94.06499	1.4
95.03654	5.1
96.08073	3.1
96.95900	1.3
97.01600	1.5
98.19767	4.2
100.58138	1.8
101.02328	3.8
104.04956	5.8
106.06503	10.2
110.91113	1.5
111.04375	1.5
112.03938	3.0
113.02332	2.3
116.84539	1.4
119.03411	2.6
121.02831	1.7
122.06020	5.7
124.07547	10.8
132.04454	66.0
133.05237	36.3
134.06018	12.3
135.04507	1.8
139.11217	4.0
148.03909	3.5
150.05531	2.7
151.00264	2.8
157.06538	2.2
165.04230	52.1
166.04501	1.3
171.06888	1.6
176.03455	2.1
176.07178	1.7
177.04257	5.8
178.05083	3.8
178.99838	1.6
183.10190	18.8
184.07639	2.9
185.08475	1.5
186.09196	9.2
191.29945	1.5
198.09344	1.8
201.05492	1.6
209.03253	12.0
209.11775	1.9
213.06775	9.5
214.12314	14.6
215.11740	13.3
226.07419	3.5
229.05034	5.0
229.09734	7.0
240.10374	3.2
241.09836	6.7
253.14626	2.0
257.04584	17.0
257.12955	58.0
258.13278	4.3
283.10907	16.7
298.74463	1.7
301.03616	4.5
301.11932	40.5
302.12326	3.5
327.10034	2.8
345.10931	100.0
345.15204	5.8
346.11234	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	345.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.4
56.06251	0.3
57.93467	0.3
70.75188	0.3
71.01246	0.4
71.04897	9.7
71.36636	0.5
83.01265	2.1
85.02827	0.3
93.03330	0.3
93.70544	0.2
95.04910	2.6
96.05277	0.3
97.02837	14.2
98.03194	0.4
101.02328	0.3
101.47083	0.3
116.53139	0.3
124.01530	0.3
137.02359	0.5
139.03923	100.0
140.04259	3.5
153.05505	0.7
163.03964	2.9
172.02083	0.3
181.05037	0.9
183.02869	1.5
207.02974	0.7
297.51031	0.3
320.45786	0.3
326.32419	0.3
345.08316	6.0
346.08594	0.4
362.10995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.9
59.01246	1.5
64.64987	0.4
69.03327	1.4
69.27490	2.1
69.27915	2.0
71.01265	0.4
77.14906	0.3
80.02554	0.4
82.54074	0.4
83.04897	1.5
97.06467	0.9
99.08047	6.6
110.41046	0.4
113.09653	0.6
121.10133	4.4
125.09634	1.7
127.11178	1.2
137.09618	1.8
139.11177	0.9
149.13251	0.4
151.11154	0.5
156.90524	0.4
163.11285	0.5
165.09138	0.6
165.12791	0.5
171.10188	32.3
172.10519	1.5
193.12292	10.5
194.12642	0.6
197.15398	0.5
211.13379	2.4
225.14948	15.8
226.15323	0.8
243.15984	5.5
289.18100	0.6
293.21280	3.4
294.21600	0.6
311.22223	0.6
325.23969	0.6
343.24893	100.0
344.25217	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	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01256	1.2
66.12333	0.5
69.03330	2.2
69.87611	1.1
69.88028	2.0
83.04918	1.8
97.06466	1.3
98.20467	0.9
99.08043	9.6
104.54473	0.5
111.08059	0.6
120.40556	0.5
121.10137	2.0
125.09643	1.9
127.11173	0.7
137.09616	1.9
149.13278	0.7
165.12752	1.1
171.10208	16.8
172.10484	1.0
175.11270	0.9
192.35585	0.6
193.12308	15.7
194.12575	1.2
211.13385	3.4
225.14940	21.8
226.15289	0.9
237.65228	0.6
243.16064	7.1
267.05438	0.6
277.46277	0.6
293.21362	3.0
325.23859	1.7
343.24924	100.0
344.25214	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2126
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03333	4.2
58.00465	1.1
59.01252	3.8
67.22135	0.7
69.03310	3.0
71.01249	2.4
71.04893	3.3
71.57786	0.9
72.99197	0.8
73.02804	1.0
75.00754	0.7
76.15255	0.7
80.02560	1.2
81.03336	2.4
83.01286	0.6
83.04892	4.1
84.02033	4.8
85.02820	4.6
85.06471	1.9
87.04386	4.2
89.02282	1.3
91.03921	0.7
95.04909	9.7
96.19857	0.6
97.02827	2.6
97.06474	2.8
99.04372	0.7
99.28801	0.6
106.04134	1.3
109.02853	3.3
109.06477	2.5
111.04390	1.4
111.08028	1.6
112.05153	0.7
113.06003	1.7
121.02815	0.9
122.03651	0.7
123.04406	2.5
123.08045	1.3
125.02315	1.0
125.09607	2.8
127.11165	3.0
133.06476	0.7
134.04587	0.8
135.08072	2.7
137.02304	0.7
139.11055	0.9
141.36897	0.8
149.02295	1.2
150.40814	0.7
151.00264	2.1
151.03841	0.7
153.09167	1.4
155.10704	0.9
158.31096	0.6
159.46762	0.6
161.05949	0.7
163.11192	1.3
165.12784	5.1
167.12959	0.7
167.14314	2.4
171.10194	30.0
172.10497	1.4
176.01083	1.0
177.12753	1.7
179.07051	1.0
180.99542	1.8
181.12228	1.6
182.04532	1.7
183.13818	4.5
185.11697	1.4
191.14307	0.8
193.12294	1.8
193.15788	1.0
195.13844	1.2
197.11702	0.8
201.11234	1.7
205.04955	1.3
205.16096	0.8
207.10197	1.7
207.13908	2.2
209.11786	5.5
211.13341	19.8
212.13647	0.7
213.11339	0.8
213.14919	7.0
221.11798	4.7
223.13327	5.2
224.13803	0.7
225.11292	4.0
225.14830	1.0
227.03545	1.5
227.12907	0.9
229.14412	23.6
230.14781	2.1
233.11887	0.9
237.14937	19.7
238.15292	1.7
239.03288	0.7
239.12813	4.8
241.14430	23.8
242.14845	1.8
243.02887	0.9
249.14923	2.9
251.12839	9.9
255.03017	1.4
255.15924	0.9
267.15964	1.9
269.13928	3.5
271.02454	4.1
272.03101	0.8
284.03262	2.1
289.18161	2.4
299.02112	1.2
299.12946	1.7
299.99808	0.7
300.02689	4.0
307.19186	2.0
310.00937	0.9
311.02008	12.7
312.02347	2.1
325.20218	12.1
326.20383	1.3
327.01620	1.0
328.02319	1.2
343.04654	10.6
343.12518	4.3
343.21246	100.0
344.04813	1.6
344.12231	0.7
344.21661	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2121
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03308	4.2
59.01257	7.2
69.03329	2.4
69.42288	3.1
69.42714	7.7
71.01254	11.2
71.04881	4.3
72.99179	2.0
73.02818	3.6
81.03320	1.9
83.04890	10.4
84.02026	2.6
85.02824	3.1
89.02311	1.9
90.92567	1.1
93.03351	2.6
95.04900	9.1
96.63261	1.2
97.02830	3.4
97.06499	2.5
98.19743	2.1
99.08025	1.9
105.03381	1.4
109.06490	2.7
110.03600	2.5
111.04370	1.4
111.08033	4.1
113.05957	1.3
115.07533	1.4
121.02850	4.6
121.06492	2.3
123.08082	6.7
125.09578	2.5
127.07545	5.0
127.11163	4.4
129.09111	18.3
134.03647	21.7
134.04617	2.8
134.38066	1.2
135.08054	2.1
137.02342	2.0
137.09569	2.1
141.09111	10.0
149.02289	3.7
149.09586	1.4
151.00365	1.4
153.09137	1.9
155.10681	15.8
163.11130	1.2
165.01822	10.5
165.12747	1.8
167.10666	3.3
167.14357	3.2
171.10181	22.3
172.10541	1.7
175.11186	1.9
177.12720	7.6
183.13841	4.2
185.11746	4.2
187.09679	2.4
193.12277	2.5
195.13814	4.5
197.11783	1.7
199.09706	1.3
201.11269	25.7
202.11591	2.1
203.10727	4.8
209.11821	3.1
211.13358	10.4
213.11285	6.9
217.64366	1.1
219.01892	1.3
221.11792	30.8
222.12025	1.9
225.11136	1.9
227.16579	1.6
229.14417	5.5
237.14951	2.9
239.12856	77.4
240.13197	5.4
249.14876	1.4
255.15968	5.0
271.15436	7.4
279.19592	1.6
283.15298	1.3
289.18262	1.6
300.02713	2.2
307.19290	5.6
311.01929	1.3
315.05066	12.4
325.20267	16.5
343.04495	5.3
343.17606	9.1
343.21255	100.0
344.21536	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	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.01791	0.7
57.03307	1.9
59.01249	4.6
63.02276	1.4
65.00202	1.9
69.03301	1.2
69.34295	6.9
71.01242	2.5
71.04885	1.3
78.95755	0.7
81.03316	0.7
83.01270	1.4
83.04907	3.4
84.02044	5.4
85.02819	2.5
85.06464	1.6
87.04365	1.1
89.02319	1.3
93.03368	0.9
95.04903	8.9
97.02853	1.7
97.06477	2.0
99.04417	0.8
101.02350	0.9
106.04068	1.0
107.01267	2.6
108.02048	1.6
109.02843	4.8
113.05952	2.6
118.51887	0.7
121.02913	3.2
123.00774	1.1
123.04411	1.7
123.08084	0.9
124.01548	1.7
125.02425	1.0
125.03391	0.9
125.09570	1.3
127.11185	2.8
135.04424	1.1
135.08054	2.5
136.01561	11.0
137.02365	5.5
147.04381	1.5
148.01497	1.5
149.02350	1.2
151.00261	3.7
151.03912	9.5
153.09114	1.3
159.04408	0.8
161.02312	1.4
161.06026	1.6
163.03888	0.7
165.12909	1.0
167.10710	1.1
167.14351	1.5
169.02512	1.3
171.10181	10.0
175.03922	1.9
175.07593	0.8
176.01091	1.4
176.04738	1.0
177.01823	1.3
177.05501	5.6
178.05988	0.9
181.12233	0.8
183.13829	2.4
185.11736	1.3
189.05577	0.7
191.07155	0.7
193.12161	0.7
201.11249	3.4
203.07068	0.9
207.06554	1.3
209.11787	2.1
211.13354	14.2
212.13695	0.8
221.11801	0.9
223.13454	0.9
227.03426	2.0
229.14421	23.6
230.14722	1.5
235.13460	1.1
237.14897	2.5
239.12961	1.3
241.14386	2.9
242.01994	0.9
249.14951	1.7
256.03708	1.5
259.15732	0.9
270.01709	0.9
271.02539	3.7
271.14185	0.8
272.03210	1.1
274.23639	0.7
283.02557	1.1
284.03296	4.1
285.03952	1.2
289.17990	0.8
299.01981	2.6
299.05383	0.9
300.02710	4.7
307.19006	1.4
311.01846	1.0
313.10852	2.5
315.05133	4.0
325.10522	0.9
325.20215	4.0
328.02191	3.1
328.05673	1.2
328.09323	0.8
343.04568	21.9
343.12070	9.1
343.21259	100.0
344.04889	2.9
344.12271	1.6
344.21530	7.7
369.76624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65133	0.5
52.09492	0.5
57.03314	0.9
58.00470	0.8
59.01253	2.9
59.30281	0.4
60.91488	0.5
69.03316	1.3
71.01256	10.6
71.04888	1.0
72.99192	1.2
73.02812	1.5
73.30933	0.5
80.02522	0.6
81.03335	1.1
83.04900	4.7
84.02032	1.3
93.03345	0.8
95.01263	0.6
95.04906	6.9
96.56239	0.5
97.02835	2.1
97.06512	0.8
98.19724	0.8
99.04391	1.2
99.08015	0.6
106.04140	0.9
108.02076	1.1
109.02827	1.2
109.06470	1.4
110.03612	2.5
111.04414	1.6
111.08113	0.6
123.08049	2.7
127.07510	0.6
129.09134	2.7
134.03642	5.1
135.08087	0.7
137.09589	0.6
141.09114	1.3
141.66998	0.6
149.09639	0.5
151.11273	0.7
155.10701	1.9
159.11649	1.0
165.12753	1.5
167.14372	2.4
171.10219	2.4
175.11223	1.6
177.09071	0.8
177.12790	9.2
181.12260	1.0
183.13814	3.6
193.12299	3.2
195.13873	4.8
197.11734	0.8
201.11261	1.8
203.10753	4.5
211.13345	6.7
213.11157	0.8
221.11784	36.7
222.12178	1.9
225.14848	0.7
227.12595	0.6
229.14360	1.5
239.12866	100.0
240.13243	5.5
253.14554	0.7
271.15543	8.7
272.15881	0.6
275.12869	0.9
283.15582	1.9
286.66162	0.6
293.13986	1.4
307.19073	0.9
315.05264	0.7
325.20187	2.3
343.04596	0.7
343.17554	14.1
343.21335	16.6
344.17905	1.2
344.21680	1.3
368.92438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81736	0.3
57.03318	1.0
57.04877	0.4
59.01260	3.2
69.50158	1.8
69.50588	1.6
71.01239	0.7
83.04901	0.8
83.57288	0.4
85.02836	0.5
85.37508	0.4
87.04388	0.9
89.02288	0.4
95.04914	0.7
97.02865	0.5
98.19766	0.4
109.02799	0.5
111.04369	0.4
121.02866	0.5
123.00773	0.6
123.08099	0.7
134.00009	0.5
135.04393	1.8
137.02333	0.7
148.01553	1.2
157.02855	0.6
161.02373	0.7
161.99533	2.7
170.03645	0.7
171.10193	2.5
174.03079	1.3
180.77945	0.4
183.14001	0.4
186.03183	2.8
189.01941	0.9
190.36969	0.4
197.02425	0.6
198.03174	2.3
199.03824	0.6
202.02605	0.9
209.11882	0.4
211.03931	0.5
211.13315	1.4
213.01952	1.1
214.02676	11.7
215.03033	1.2
225.01848	0.7
226.02663	2.5
227.03343	0.7
229.14380	1.0
237.14963	1.6
241.01366	1.6
241.14494	0.6
242.02177	26.1
243.02524	1.5
245.00987	2.8
254.02173	3.3
255.02960	1.6
267.02966	0.6
269.00961	1.4
270.01697	100.0
271.02060	7.0
283.02469	1.4
283.19214	1.2
285.04062	19.1
286.04306	1.0
286.90747	0.4
292.96472	0.4
298.01187	15.7
298.04590	0.7
299.01578	1.8
301.20248	6.0
311.02008	1.2
313.03537	36.8
314.03845	2.7
315.05164	1.0
328.05884	83.2
329.06207	7.2
343.04776	1.5
343.08215	36.6
343.21234	11.5
344.08691	3.5
344.21582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
59.01239	1.5
60.20952	0.4
60.93732	0.4
65.00195	0.4
68.02991	0.4
71.01248	0.7
71.37200	0.7
81.03259	0.5
83.04881	0.5
86.80063	0.5
89.63709	0.4
93.03352	0.4
95.01208	0.4
95.04838	0.5
96.02672	0.4
97.02843	0.5
103.17176	0.5
106.04096	0.5
108.02077	1.0
109.02802	1.1
110.77248	0.4
112.00303	0.4
119.10549	0.5
121.02828	1.9
123.00774	0.8
124.01513	0.8
134.00023	1.7
134.03612	1.9
135.04434	8.1
137.02367	0.8
145.02805	0.6
147.00676	0.6
147.31903	0.5
148.01570	4.2
148.60722	0.5
148.62085	0.4
149.02304	1.3
151.00261	0.8
161.02342	0.5
161.99493	5.6
162.99846	0.5
163.11163	0.5
163.98059	0.4
165.01842	2.2
171.10161	1.0
174.03139	0.8
177.01888	2.1
179.03378	1.0
179.07008	1.0
186.03082	2.0
189.01988	0.6
191.07179	0.5
194.05843	0.7
197.11725	0.5
198.03192	3.3
201.02020	0.5
203.05707	0.5
209.08066	1.6
209.11757	1.0
214.02681	8.7
226.02762	3.2
241.01335	1.1
241.14418	1.2
242.02177	25.1
243.02415	1.8
245.00871	1.9
253.01317	0.7
254.02151	7.1
255.02736	1.0
264.71176	0.5
269.00928	1.2
270.01700	67.7
271.02042	4.6
273.82443	0.5
281.00781	0.5
284.03146	1.0
285.04056	21.0
286.04434	1.8
298.01184	31.1
299.01471	2.9
300.02814	0.7
313.03561	70.2
314.03873	5.3
315.05078	3.8
325.19913	0.5
328.05893	100.0
329.06229	9.5
343.04773	2.0
343.08234	50.1
343.21271	8.4
344.08548	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	343.0822
Annotation	Robinetin trimethyl ether
Peak:m/z	Relative Intensity
56.76586	0.4
59.01250	0.7
59.18267	0.5
61.02452	0.4
65.00163	1.3
65.19306	0.4
69.71366	2.8
85.98972	0.4
89.08678	0.5
91.01778	0.5
97.02814	1.2
98.19784	0.8
100.66916	0.5
121.02785	0.5
145.02789	0.7
147.00771	0.7
149.03827	1.0
149.99539	0.6
165.01852	7.4
182.03696	2.6
186.03072	0.6
198.03134	5.5
210.03088	1.1
213.05525	2.4
214.02657	5.4
215.03226	1.0
226.02660	8.8
227.03172	1.0
229.04996	0.6
241.01373	1.4
241.04993	3.0
242.02167	21.2
243.02481	1.8
243.06348	0.6
245.00882	1.6
254.02199	17.3
255.02786	2.2
256.03812	0.8
257.04550	13.7
258.04831	1.0
269.04538	11.8
270.01758	10.4
270.04858	1.3
271.02118	0.6
283.02460	1.0
285.04050	10.3
286.04276	1.2
298.01083	3.8
299.05719	3.0
313.03543	100.0
314.03906	8.9
327.05167	1.8
328.05881	60.1
329.06107	4.8
343.08228	45.0
344.08655	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	343.0459
Annotation	3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.78400	0.5
57.03364	0.6
59.01256	1.6
63.02279	1.8
64.20582	0.7
65.00201	13.1
69.37206	4.9
69.37618	0.8
71.19381	0.6
77.03844	0.6
77.77615	0.6
83.01275	1.2
89.00214	3.7
89.02338	0.8
91.01773	3.0
93.03332	8.2
97.02839	11.7
98.20564	1.2
105.03348	6.8
107.01292	2.2
108.02122	0.6
109.02849	3.3
117.42500	0.6
121.02855	37.8
122.03173	0.6
123.08148	0.6
124.01575	2.6
134.03619	1.3
136.92274	0.5
139.03905	3.4
148.01581	1.5
149.02356	28.7
149.98518	0.7
149.99516	4.9
150.02710	0.7
151.00273	5.3
154.61230	0.5
161.02434	0.7
163.00278	2.1
164.01082	1.0
165.01857	86.0
166.02220	3.0
169.01340	0.7
171.10216	4.5
177.01889	4.1
178.99760	0.9
183.02907	1.8
192.00537	3.1
193.01366	12.2
200.04593	0.8
201.11284	1.4
207.02948	3.1
211.03909	0.7
212.04785	1.1
226.02760	0.9
227.03502	3.1
228.04213	2.3
243.02910	1.6
244.03706	1.2
254.02263	1.8
255.03009	3.2
256.03763	2.0
259.06107	1.9
269.04630	1.0
270.01608	0.8
271.02539	3.0
272.03214	3.0
282.01730	1.7
283.02441	1.7
284.03293	1.6
287.05606	3.2
297.03964	1.0
298.01132	0.9
299.02014	2.1
299.05453	1.0
300.02759	18.7
301.03198	1.8
313.03592	1.2
314.04007	0.8
315.05124	100.0
316.05472	8.0
325.03589	2.4
343.04572	30.9
343.21402	6.1
344.05045	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	343.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02266	0.7
65.00203	2.1
71.01288	0.6
71.37680	1.4
107.01304	1.0
109.02839	0.7
110.57671	0.6
122.86973	0.6
123.04431	1.2
125.91879	0.6
127.05450	0.6
139.05463	1.9
141.03377	1.8
145.02861	2.2
149.02356	0.9
151.00282	3.1
155.04929	1.4
157.02899	1.3
159.00870	0.8
159.04446	1.2
167.04993	4.9
169.02863	2.5
171.04425	1.9
173.02316	0.9
177.01836	1.0
179.07002	0.6
182.03682	1.4
183.04439	16.6
185.02409	2.5
187.03925	2.9
195.04431	4.4
197.02390	2.1
199.03856	2.9
201.01878	3.0
201.05482	0.5
210.03314	0.9
211.03966	20.0
212.04300	0.8
213.01877	2.5
215.03441	2.7
223.04019	4.2
225.01784	0.6
227.03477	14.8
228.03912	1.4
229.04921	0.8
239.03465	18.1
240.03894	1.5
241.01416	2.6
241.14404	1.1
243.02942	2.3
245.04385	0.8
255.02997	18.9
256.03299	1.4
265.01395	0.8
266.02283	0.8
267.02988	30.4
268.03244	2.2
282.01669	2.1
283.02499	90.8
284.02777	6.5
293.01056	0.8
300.02795	1.0
310.01270	0.6
311.01990	100.0
312.02322	8.3
328.02466	1.1
343.04599	43.8
343.21164	3.8
344.05081	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00215	0.4
54.57581	0.4
56.56139	0.4
59.01244	1.3
63.90843	0.4
65.00193	1.8
83.01301	0.5
107.01265	1.7
109.02820	1.4
115.05408	0.6
117.03358	0.7
119.04819	0.5
123.00776	0.5
123.04443	0.5
127.05490	0.6
127.11102	0.5
133.02773	0.6
137.02310	0.7
139.05411	1.7
141.03406	1.4
143.04895	1.3
145.02856	1.6
149.02362	0.6
151.00258	4.3
155.04938	1.9
157.02863	0.5
159.04388	0.7
165.12743	0.5
167.04929	5.1
169.02815	1.9
171.04402	2.3
171.10254	1.1
171.53162	0.5
173.02345	0.8
175.00331	0.7
177.01837	1.2
182.03613	1.4
183.04439	15.6
184.04782	0.8
185.02431	2.6
187.03944	3.0
195.04425	5.4
197.02365	1.4
197.11743	0.5
198.03062	0.6
199.03931	2.2
201.01871	2.9
202.99808	0.5
203.07048	0.8
210.03137	0.7
211.03955	15.4
212.04245	0.9
213.01872	2.1
213.05363	0.5
215.03413	2.2
223.03920	3.5
225.01904	0.9
227.03447	13.7
228.03790	1.1
229.04892	0.6
229.19894	0.6
239.00999	0.8
239.03458	16.7
239.13014	0.6
240.03802	1.5
241.01407	1.9
241.14372	1.8
243.02896	1.7
245.04543	0.9
251.12875	0.9
255.02966	16.6
256.03372	1.2
266.02161	1.0
267.02975	28.7
268.03372	1.4
271.02588	0.6
282.01736	1.8
283.02478	87.5
284.02811	7.8
300.02646	0.6
311.01968	100.0
312.02292	8.1
328.02133	1.9
343.04568	42.8
343.11755	1.9
343.21240	4.2
344.04871	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	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
59.43901	1.8
60.37650	2.0
63.99612	2.5
71.56570	4.2
75.47830	1.9
117.00272	2.3
152.27087	2.4
157.03503	4.5
159.01439	7.7
201.02516	72.9
202.02667	4.7
228.79709	2.6
286.70663	2.5
303.98358	2.5
362.23434	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64569	0.5
59.01257	6.1
61.12682	0.7
64.88314	0.6
69.03336	1.2
69.54071	1.0
69.54475	3.5
71.01263	4.5
83.04883	0.8
84.02042	14.9
85.02814	0.9
89.02322	4.3
97.02834	5.6
97.06483	6.8
99.04401	2.9
101.02309	2.1
113.02327	1.2
119.03393	1.8
119.08558	2.0
123.08073	0.6
125.09631	1.6
127.11205	1.0
134.55292	0.6
135.08040	1.3
137.09642	0.9
145.15590	0.6
150.97464	0.6
151.11266	1.0
165.12715	0.8
171.10184	45.6
172.10503	2.0
175.11200	0.9
179.05551	1.7
193.12280	7.4
211.13379	1.7
221.11870	1.1
225.14905	11.9
235.04657	0.6
243.16010	6.1
253.14511	0.9
274.85065	0.7
291.19583	2.0
341.23312	100.0
342.23630	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01051	0.4
57.03329	0.8
59.01255	3.6
67.32410	0.4
68.98363	0.4
69.03329	3.1
70.24181	0.4
71.01263	1.5
83.04907	1.9
84.01580	0.6
84.02036	3.8
85.02836	0.7
89.02328	2.3
95.04922	0.4
97.02838	1.0
97.06474	14.9
98.06775	0.4
98.41665	0.4
99.04398	1.6
101.02348	0.5
103.15898	0.3
111.07993	0.5
113.02348	0.7
119.03387	0.9
119.04947	0.4
119.08572	0.5
125.09618	2.6
127.52325	0.3
130.08641	0.8
131.08862	0.4
135.08073	0.5
137.09622	1.1
149.13249	0.8
151.11258	0.6
153.09215	0.6
165.12772	1.4
171.10185	11.8
172.10411	0.4
175.11163	1.5
177.12704	0.4
179.05486	0.4
183.13802	0.8
193.12280	18.7
194.12653	1.1
197.15363	0.9
209.11694	0.7
211.13370	4.3
212.13707	0.4
221.11826	1.4
225.14915	29.7
226.15355	2.0
243.15996	12.5
244.16330	0.8
253.14355	1.8
291.19608	1.8
305.21136	1.0
323.22369	0.9
341.23322	100.0
342.19434	0.6
342.23651	11.9
347.62262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36682	1.6
57.03331	5.7
59.01253	38.8
69.03331	7.0
69.43085	11.6
71.01254	22.3
71.04895	49.7
71.05295	2.5
73.02843	2.1
76.77818	1.5
79.92252	1.5
80.02578	3.5
81.03333	46.2
83.01279	2.6
83.04902	30.6
84.02047	5.5
85.02827	6.0
87.00741	1.9
87.04421	2.2
89.02317	22.5
93.03345	2.4
95.04906	18.9
97.02827	8.6
97.06474	9.4
99.04399	45.4
100.04762	3.0
101.02336	9.4
101.05979	2.2
102.29594	1.8
108.02026	2.0
109.02843	5.6
109.06456	12.4
110.03640	4.0
111.04408	11.7
113.02345	9.5
113.05973	2.3
119.03361	8.9
121.06477	3.0
122.03638	2.1
123.08074	3.5
125.09648	4.7
127.07537	2.2
133.06551	3.6
135.08069	3.5
137.09694	2.4
143.03426	2.8
151.07574	19.4
153.09108	6.0
155.10721	3.3
161.04486	2.9
165.09122	3.5
165.12756	2.5
171.10199	52.1
172.10445	1.9
175.11288	1.8
179.05563	6.2
185.11757	2.6
189.12776	7.0
191.14365	7.7
193.12257	27.0
195.13828	1.7
197.28549	1.5
199.13399	4.4
205.15965	2.5
207.13817	3.7
209.11798	5.5
209.15477	2.4
211.13406	5.5
217.12361	2.7
221.11710	2.8
225.15039	3.5
229.24471	1.5
233.11865	5.4
235.13368	63.6
236.13657	4.5
239.12996	2.7
243.17439	8.0
249.14931	5.4
251.12868	3.3
253.14444	100.0
254.08842	1.8
254.14671	5.8
287.16516	33.8
288.16846	3.3
302.00476	2.1
305.17603	18.8
323.18585	8.1
341.10812	5.6
341.19650	9.4
341.23370	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01557	1.1
57.03314	7.7
59.01254	19.8
60.85493	0.9
67.01788	1.2
69.03317	4.0
69.35413	11.5
71.01253	11.3
71.04893	35.7
71.67870	1.0
80.02558	2.1
81.03328	37.1
83.04900	25.8
84.02034	2.9
85.02815	5.2
87.04395	1.9
89.02316	12.2
93.03334	2.7
95.01262	2.2
95.04898	16.2
97.02841	6.0
97.06451	5.1
98.03601	1.3
98.20580	2.3
99.04392	46.0
101.02327	5.5
101.05973	5.3
104.08112	1.1
106.04049	1.2
107.04888	2.0
108.02040	1.5
109.02833	5.3
109.06487	9.1
110.03638	1.9
111.04390	9.4
113.02323	4.0
113.05954	1.4
119.03378	4.8
121.02765	2.1
121.06490	3.9
122.03648	2.3
123.04421	1.2
123.08028	3.5
125.05946	1.8
125.09596	3.5
127.07481	1.5
127.11161	2.3
133.06476	3.9
135.08073	2.1
150.03305	1.1
151.07596	12.9
153.09146	3.6
155.10663	2.8
160.84009	1.0
161.04512	1.6
165.09091	3.2
171.08754	2.2
171.10185	42.1
172.10481	2.3
179.05507	3.6
181.26256	1.1
183.10260	1.3
185.11670	1.6
189.12808	4.6
191.14371	7.2
193.12276	25.4
194.12770	1.3
195.13986	1.9
199.13304	3.6
207.13788	2.3
209.11728	2.2
211.13318	4.6
221.11720	3.5
233.11801	3.2
235.13359	51.1
236.13670	2.2
237.15280	1.3
239.12758	5.1
243.17554	5.9
249.14969	4.0
251.12918	1.4
253.14432	100.0
254.14687	5.4
287.16550	25.0
288.16757	2.3
305.17575	16.7
306.17737	1.5
323.18646	5.6
324.19019	1.2
341.10962	2.9
341.19696	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.4
57.03316	3.3
58.00478	1.9
59.01251	35.8
60.05203	1.1
69.03319	1.3
69.28207	2.4
69.28629	10.4
71.00879	1.2
71.01252	31.4
71.04893	4.4
72.99157	2.4
73.02810	2.2
80.02560	1.8
81.03341	5.0
83.01257	3.1
83.04908	5.5
84.02051	1.9
85.02827	6.6
87.04389	3.7
89.02317	28.9
93.03352	1.3
95.01248	2.6
95.04906	8.2
97.02821	2.1
97.06481	4.2
99.04411	2.8
101.02343	12.1
106.79198	1.3
107.04906	1.8
108.02030	1.6
109.06483	11.2
111.04427	2.8
111.08047	1.9
113.02340	9.0
113.05954	2.7
119.03382	9.8
123.08087	2.7
125.05968	4.7
125.09593	3.9
127.11160	1.3
131.03398	1.8
133.02855	3.7
135.08112	2.0
137.02394	1.6
137.05974	2.2
137.09677	3.6
143.03389	2.6
149.09634	1.3
161.02364	8.7
161.04466	2.8
162.03113	2.5
163.11195	3.8
165.12794	2.8
171.10306	5.5
179.05505	8.4
183.04547	1.2
185.11771	10.7
187.00464	1.2
191.10687	1.9
191.14369	5.4
197.11781	6.8
199.04015	2.7
201.11320	3.5
203.14421	1.1
205.12341	2.0
209.11786	49.9
210.03145	1.3
210.12172	2.9
211.04012	3.5
211.13327	2.8
213.11279	1.8
217.12254	1.8
221.11920	2.5
223.13351	5.3
225.11342	1.4
226.02628	1.5
227.03450	11.1
227.12852	4.8
235.13373	27.3
236.13785	2.4
237.15059	1.5
239.03491	2.7
239.12859	3.0
241.05025	1.8
241.14378	1.4
247.13484	3.5
249.14983	2.6
251.12932	3.7
253.04826	1.5
253.14502	8.3
255.02953	13.1
256.03299	1.4
265.01447	5.9
265.14474	7.0
269.04587	2.6
270.05130	1.2
280.03641	1.3
283.02557	5.4
287.16437	3.6
293.01028	7.6
294.01440	1.5
297.04019	7.4
298.04855	1.7
305.17609	8.1
307.02524	2.1
311.01978	58.7
312.02267	5.3
323.18634	10.9
324.19034	1.4
325.03543	17.1
326.04269	27.0
327.04626	3.6
341.06714	100.0
341.10831	9.5
341.19678	44.1
341.23825	2.4
342.07016	12.2
342.20111	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	12.1
58.87506	3.2
59.01253	73.1
69.03335	4.2
69.41072	31.0
71.01255	40.9
72.99172	9.4
75.00735	11.0
83.01249	6.0
85.02829	12.3
86.66415	4.0
87.00761	9.8
89.02326	49.8
95.01222	4.9
95.04889	4.6
96.95904	29.1
98.20662	3.5
101.02328	18.5
108.02064	10.8
109.06482	11.3
110.03600	4.4
111.00753	16.0
111.04406	5.5
113.02338	15.6
119.03394	16.1
121.02829	3.5
122.03609	4.1
124.01528	6.7
129.01823	11.5
132.90765	3.9
133.87491	3.3
134.03661	4.0
135.08070	5.6
136.05182	10.0
137.02396	4.0
143.03413	4.1
151.00243	6.7
152.01103	17.3
157.06630	3.8
161.04462	5.6
165.12733	5.5
178.99792	4.1
179.05508	14.4
205.12314	5.4
208.00096	12.0
211.13338	46.0
219.13828	4.4
223.13358	14.1
233.11827	4.0
233.15366	4.8
235.13260	18.5
245.11801	13.3
247.13414	23.0
249.14949	6.1
251.12869	100.0
251.15816	4.6
251.16600	4.5
252.04222	4.1
252.13223	6.5
253.14406	11.2
259.13379	15.0
263.12817	27.4
265.14374	23.9
277.14346	21.3
281.13916	19.1
287.12854	5.6
293.13885	9.6
295.05997	5.2
295.15552	6.0
301.03363	5.0
305.13879	30.6
310.08371	5.2
311.08691	4.1
312.06277	5.9
323.15012	26.1
326.07819	6.0
327.08719	11.9
341.05252	23.1
341.10815	18.1
341.15985	16.9
342.11008	11.3
343.84470	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01755	2.0
57.03320	2.3
57.34148	1.7
58.00467	2.7
59.01253	100.0
62.51738	1.6
63.85580	1.7
70.76694	4.2
70.77070	3.7
71.01256	63.5
72.99172	4.5
85.02850	10.7
89.02319	58.8
95.01289	2.8
101.02316	22.6
113.02325	16.5
119.03397	18.8
130.39946	1.6
131.03377	2.6
131.33009	1.9
136.11307	1.7
143.03352	1.9
149.04488	1.7
160.43213	1.8
161.04472	2.8
161.96446	2.0
179.05550	10.9
199.37265	1.6
341.10928	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	341.1241
Annotation	(-)-Macrosphelide L
Peak:m/z	Relative Intensity
57.03319	6.8
59.01258	15.2
60.15953	1.4
68.99688	77.0
69.03337	7.9
69.42165	4.4
69.42574	9.6
71.01255	16.5
71.04885	1.8
72.99187	3.0
75.00758	2.3
80.83465	1.5
85.02817	10.1
87.00766	8.0
89.02320	9.0
95.04913	2.1
96.99193	82.8
97.06468	2.0
97.99573	1.9
99.00752	3.1
101.02335	5.5
106.40807	1.5
107.04939	3.5
111.08051	3.4
113.02355	4.1
115.00263	46.9
119.03362	3.5
121.06480	7.3
125.06010	2.9
134.03670	3.1
139.07591	3.6
139.11200	8.0
144.03253	1.8
162.58725	1.7
175.02406	38.3
179.05513	2.7
183.10178	24.6
193.05040	2.0
197.61444	1.8
209.11740	2.6
223.06126	2.1
237.11333	2.5
281.10303	6.2
341.12399	100.0
342.12695	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	341.1091
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
50.24919	0.5
54.09615	0.5
54.22013	0.5
55.01752	1.2
56.05828	0.5
57.03329	1.9
58.00480	3.4
59.01257	100.0
60.01592	0.8
69.72803	3.7
71.01262	66.3
72.01603	0.6
72.99199	3.3
73.02837	1.2
83.01272	2.2
85.02836	9.0
87.00761	4.1
89.02326	74.7
90.02679	1.3
91.01550	0.6
95.01273	3.3
101.02335	30.1
102.02690	0.7
113.02344	24.5
114.02698	0.8
119.03404	27.6
120.03685	0.5
125.02370	0.7
131.03403	3.4
135.04462	1.2
135.38206	0.5
143.03418	7.3
143.04448	0.9
149.04501	2.7
158.20512	0.5
161.04507	8.0
178.16237	0.5
179.05569	25.1
180.05881	0.7
196.55208	0.5
200.28357	0.5
221.00153	0.5
233.06213	0.5
294.61819	0.5
341.10916	24.9
342.11218	2.4
342.73868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
50.44991	0.5
59.01256	6.0
71.01257	4.2
71.30753	0.9
80.05810	0.3
81.97488	0.4
85.02840	1.1
89.02314	5.3
89.80791	0.4
91.05431	2.1
93.03332	0.9
93.61140	0.4
95.01311	0.6
101.02337	1.7
107.04913	1.8
112.61823	0.4
113.02337	1.8
117.03361	0.4
119.03384	1.3
134.03664	2.7
135.04425	100.0
136.04755	3.5
151.00270	0.5
161.02397	0.7
161.04488	0.7
179.03436	71.4
180.03763	2.6
276.57739	0.5
322.96454	0.4
341.08224	2.7
351.44397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01748	1.8
55.49632	1.5
55.65870	1.1
56.36083	1.2
57.03332	1.9
58.00465	5.0
59.01255	100.0
61.26855	1.2
66.43192	1.2
71.01260	78.5
71.26877	2.7
72.99189	6.4
73.02823	1.6
81.01557	1.3
83.01250	3.5
84.43176	1.2
85.02833	10.6
87.00768	4.7
89.02324	84.3
89.79421	1.2
95.01267	4.2
99.00775	1.4
101.02336	39.0
101.95245	1.4
106.57487	1.3
113.02335	26.8
119.02575	2.1
119.03403	29.8
131.03381	3.6
135.04417	4.0
143.03416	7.9
148.06094	1.1
149.04434	2.5
161.04456	8.0
179.03429	2.9
179.05551	24.9
204.09010	1.3
341.10861	21.3
342.11203	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
55.00888	0.3
58.00462	0.6
59.01249	11.3
71.01257	8.0
71.57187	0.6
75.00753	1.1
83.01258	0.5
85.02832	1.6
85.43063	0.3
86.88120	0.4
86.88644	0.4
87.00764	0.9
89.02319	7.1
89.69328	0.4
93.03326	0.4
95.01242	0.4
99.00745	0.8
101.02332	3.3
107.04903	1.4
113.02336	2.8
119.03391	2.3
133.01326	0.4
133.02864	1.2
134.03642	4.3
135.04413	100.0
136.04758	4.4
137.02299	0.7
139.07524	0.5
143.03444	0.5
149.02371	0.4
149.04568	0.4
149.05850	0.4
161.02356	3.8
161.04472	0.9
175.04004	0.3
178.02681	0.5
179.03419	89.6
180.03780	3.9
180.74336	0.3
185.69576	0.3
193.04985	0.8
249.06035	0.5
267.07224	0.6
341.08484	7.7
342.09055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.8
62.61181	0.5
68.72375	0.5
69.45498	5.2
70.83945	0.6
71.01258	11.2
72.99156	0.6
85.02810	1.8
87.00787	0.7
89.02325	10.1
91.05414	1.8
93.03362	0.8
95.01281	0.8
101.02329	4.4
107.04933	1.7
113.02312	3.2
119.03378	3.3
119.04856	0.8
134.03676	3.9
135.04424	100.0
136.04755	3.1
137.02388	0.6
161.04497	1.5
161.73174	0.6
164.59970	0.6
166.78094	0.6
172.11748	0.6
175.49103	0.6
179.03432	85.7
180.03821	3.8
262.54767	0.6
341.08276	5.7
363.38306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11464	0.7
58.00473	0.9
59.01252	15.6
61.95563	0.8
68.99679	2.9
69.58167	6.8
71.01258	13.5
72.99184	1.0
73.02821	1.9
75.00739	2.6
75.79641	0.7
76.70023	1.0
83.01233	0.8
85.02817	2.2
87.00730	2.2
89.02320	11.8
91.05396	0.8
96.99201	3.0
101.02299	4.1
113.02323	4.4
114.02689	1.0
115.00225	1.1
117.03384	1.3
118.06429	0.9
119.03394	3.3
119.04917	1.4
121.02838	16.2
123.04449	0.8
131.03392	0.8
132.02060	1.6
134.03619	2.6
135.02902	12.1
135.04399	1.2
139.11203	0.7
139.42963	0.8
143.03429	1.5
147.04427	7.6
149.02350	100.0
150.02705	3.3
163.04028	1.2
164.04706	61.0
165.05055	2.7
175.02394	1.9
175.03798	1.4
179.05527	3.3
179.07062	3.9
180.06589	1.6
190.00412	0.8
193.04976	2.2
212.71184	0.8
223.06082	83.5
224.06439	4.0
239.03728	1.9
242.37387	1.0
261.99200	0.9
327.28885	0.8
341.11783	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	341.0667
Annotation	4,2'-Epoxy-4'-hydroxy-5,7,5'-trimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
57.03291	0.4
59.01251	5.1
71.01257	4.7
71.04880	0.7
72.99171	0.3
73.02794	0.4
80.02539	0.4
83.04864	0.4
85.02785	1.2
86.20960	0.3
89.01846	0.3
89.02328	3.9
95.01251	0.6
95.04856	1.0
97.06467	0.3
101.02323	1.7
105.03317	0.6
105.83466	0.3
107.04881	0.5
109.02850	0.6
109.06441	0.4
110.03567	0.4
113.02307	1.4
115.91546	0.3
117.03353	0.6
119.01201	0.4
119.03365	1.4
123.00718	1.0
123.04341	0.5
125.05952	0.7
125.09546	0.4
132.02025	0.4
133.02853	3.7
135.00819	0.3
137.02324	0.9
137.05910	0.4
143.03394	0.5
147.04414	0.3
149.02368	0.3
160.01515	1.3
161.02361	9.0
161.04387	0.4
162.03157	3.1
163.00276	0.7
163.11130	0.3
167.04849	0.5
171.04401	0.9
171.10178	0.4
177.01802	1.0
179.05482	1.4
182.03667	0.6
183.04358	1.8
185.11745	2.1
187.00293	0.7
195.04472	0.7
197.05994	0.4
197.10141	0.3
197.11734	1.7
198.03116	0.3
199.03865	2.0
201.11153	0.3
209.10197	0.4
209.11812	4.7
210.03148	0.4
210.11932	0.4
211.03975	3.2
212.04591	0.4
213.05531	0.6
221.11694	0.4
223.03903	1.1
224.04704	1.0
225.05489	1.1
225.11223	0.4
226.02654	1.5
227.03458	13.8
227.12833	1.0
228.03770	0.9
237.01881	0.9
238.02681	0.7
239.03458	3.2
239.12845	0.8
240.04225	1.0
241.05029	1.7
250.02525	0.7
251.03358	1.4
251.12773	0.4
252.04253	2.9
253.05020	1.6
254.02185	1.4
254.05643	0.4
255.02977	16.9
256.03278	0.9
261.63834	0.3
265.01422	6.3
265.14432	0.4
266.02008	0.9
267.02914	1.0
268.03714	0.6
269.04507	4.1
270.05322	1.5
278.02267	0.6
279.02997	2.5
280.03677	0.9
281.04633	0.9
282.01877	0.5
283.02481	6.0
284.02951	0.6
293.00912	9.6
294.01511	0.7
296.03235	0.8
297.04044	9.4
298.04715	1.5
305.00864	0.4
305.17581	0.9
307.02481	3.2
308.03241	1.0
309.03995	1.1
311.01978	58.7
312.02338	4.3
323.15112	0.3
323.18600	0.7
325.03531	18.8
326.04291	26.5
327.04639	1.8
341.06659	100.0
341.19666	1.8
342.07019	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	340.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93748	0.8
58.33305	0.8
59.01237	4.4
59.68863	0.9
63.02276	6.9
65.00198	7.2
69.81447	5.1
71.01260	2.3
83.01270	7.5
89.02304	1.9
98.20495	0.9
107.01277	12.4
108.02058	3.0
111.00786	1.2
119.03316	0.9
123.00761	1.0
124.01536	1.8
125.02368	5.0
132.04411	1.1
133.02855	3.4
134.02292	1.1
142.02927	0.8
148.01549	4.7
149.01991	1.2
149.99544	1.3
151.00278	27.3
152.00700	0.9
158.02365	1.0
160.00070	0.9
160.03976	5.5
160.05080	1.0
161.02367	6.9
162.01833	1.3
163.00259	2.5
163.89519	0.8
164.01048	3.5
169.01337	3.4
175.03932	1.5
176.00961	1.0
177.01868	2.4
178.99791	7.4
183.04356	0.9
186.01877	6.5
187.00360	1.8
187.02512	1.4
188.03369	1.2
190.99759	1.3
192.00487	1.3
199.03954	1.9
203.03543	1.4
212.03508	5.0
213.01881	1.0
214.01402	21.9
215.03554	1.7
226.02776	0.9
226.05074	1.1
227.03503	4.4
236.03491	1.0
238.01375	1.0
241.04944	1.8
243.03040	5.5
249.06453	0.9
251.12842	2.8
254.04611	3.3
255.02963	8.9
256.03525	1.1
263.13065	0.9
267.02927	3.3
267.07672	0.9
269.04602	2.2
271.02478	19.2
272.03006	2.8
273.03860	1.1
278.04489	0.9
278.25937	0.9
283.02402	2.4
285.04089	8.4
294.04233	1.3
295.02463	3.7
296.05765	1.2
299.01855	2.1
300.02753	100.0
301.03180	8.5
313.03516	10.7
322.03595	10.1
340.04538	28.9
341.05295	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
66.93743	0.5
69.18746	0.5
70.88211	1.5
75.50636	0.6
86.51114	0.6
135.20471	0.8
158.75058	0.5
163.11206	100.0
164.11525	5.1
339.23276	57.7
340.23563	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	340.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	34.9
63.02275	5.0
64.79198	1.8
65.00207	8.5
65.31606	1.7
65.96106	1.7
69.81570	12.3
71.01264	23.0
72.99195	2.4
75.00772	5.2
83.01288	6.1
85.02821	10.2
89.02329	21.4
95.01286	5.1
98.19768	2.1
99.00742	1.9
99.04414	2.8
101.02343	10.0
107.01286	16.3
108.02061	3.3
109.02837	2.3
110.36305	2.2
112.69190	1.9
113.02338	15.2
119.03432	7.7
124.01575	4.1
125.02353	6.8
133.02902	3.7
146.36501	1.9
148.01570	3.0
151.00287	30.3
152.01071	10.7
156.30914	1.9
160.03941	5.1
161.02414	8.5
163.00333	4.8
169.01303	2.7
175.03963	2.0
177.01961	4.2
178.99826	11.9
180.51340	2.3
185.02541	1.9
186.01910	6.2
187.00226	3.0
189.12822	5.3
193.01289	2.3
206.99408	2.9
208.00124	13.1
212.03477	6.5
214.01410	31.7
226.02753	2.2
227.03508	4.5
243.03012	8.0
249.06145	6.3
250.09491	3.2
251.13020	5.8
254.04549	4.3
255.03030	7.8
267.02893	3.4
267.07285	13.5
271.02527	24.4
272.03055	3.4
282.08514	4.3
285.04092	10.0
295.02426	3.4
296.05811	3.6
300.02759	100.0
301.03082	8.1
310.07980	12.8
313.03671	12.3
321.86594	1.8
322.03583	15.2
324.09753	3.0
325.10458	5.7
340.04626	34.4
340.12848	4.0
341.05322	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	339.2175
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
52.22229	1.2
57.03324	3.3
59.01254	7.8
62.08823	1.3
66.83183	1.2
69.03324	2.1
71.01257	2.4
71.58470	1.7
74.95198	1.4
79.43825	1.2
81.03356	3.9
83.04900	1.8
95.04903	4.9
97.02852	4.9
97.06458	2.7
109.06516	1.9
113.02422	1.5
119.04952	1.6
121.06501	1.6
121.42955	1.3
123.04433	4.3
123.08076	3.7
125.09628	10.5
130.55771	1.4
137.09618	5.8
139.07523	3.6
141.12747	3.3
149.05954	2.5
152.99504	2.5
155.10680	2.1
163.07526	1.8
163.11172	11.5
165.09114	1.9
171.10239	3.2
177.12782	1.9
179.10687	2.6
180.48544	1.3
181.12286	4.4
183.01147	4.8
185.11797	12.1
191.10854	2.7
191.14333	11.8
197.11736	1.6
207.10260	7.7
209.11809	2.3
223.35628	1.3
225.11287	5.3
243.17305	1.4
245.19051	30.7
265.14532	1.5
271.17166	2.5
289.18106	100.0
290.18481	7.8
303.16190	1.5
307.19104	30.8
321.20798	6.1
324.19467	6.9
339.16171	3.0
339.21771	49.1
340.21899	4.3
349.72705	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44305	2.5
52.53604	2.4
57.03326	6.5
59.01255	10.7
69.28184	26.4
71.01259	29.8
72.02039	19.7
73.02828	4.4
74.76938	2.0
84.02036	4.8
85.02831	4.3
97.06487	10.3
99.08027	16.6
109.06482	8.2
111.08047	9.7
123.08070	3.2
125.05973	6.8
125.09618	100.0
126.09981	4.4
127.07552	89.8
128.07820	3.3
139.07558	64.6
153.09145	4.8
155.10718	2.3
163.11215	4.7
167.10715	12.2
171.06575	4.1
183.01155	11.0
199.13329	15.1
245.19223	2.8
252.13666	43.1
253.14053	2.9
268.13116	15.7
269.13730	2.8
289.18149	4.9
293.28442	2.2
307.40686	2.4
321.11984	3.4
321.20749	9.5
329.47467	2.7
339.12903	6.1
339.16397	14.0
339.21533	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	339.072
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
51.70724	0.3
57.03335	3.5
59.01246	1.4
65.00201	0.9
65.03833	1.3
66.69291	0.3
67.01763	0.9
68.99683	0.4
69.03323	0.5
71.01260	0.5
73.51859	0.3
80.02551	0.6
84.99309	0.3
85.06470	1.0
91.01774	53.1
92.02094	1.3
93.03349	0.3
98.19783	0.7
107.01271	0.5
108.02069	1.3
109.02845	15.0
110.03185	0.3
121.02806	0.8
123.04420	0.8
133.02835	1.1
135.00781	100.0
136.01044	3.4
137.02362	3.1
137.09636	0.4
139.07597	0.5
149.02353	1.5
153.01843	64.1
154.02182	2.3
155.10674	1.0
161.02361	1.8
163.03856	0.4
175.03868	0.6
177.01920	1.4
178.24507	0.3
189.01901	0.9
197.15437	0.8
205.81857	0.4
234.19849	0.3
253.07118	0.4
266.97278	0.3
279.05145	1.1
282.69098	0.3
297.06131	0.9
337.80963	0.3
339.07205	23.6
339.21738	7.4
340.07468	2.2
340.21909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2179
Annotation	Micromelone B
Peak:m/z	Relative Intensity
56.79416	0.6
56.92388	0.5
57.03330	52.4
59.01253	6.2
62.06717	0.7
69.03333	6.0
71.01225	0.9
71.04906	4.8
71.57858	0.9
74.02334	0.9
74.38983	0.7
75.00789	0.6
83.04893	1.8
85.02833	1.2
85.06467	19.2
91.01767	8.6
95.04928	2.4
97.06482	2.1
109.02842	2.1
109.06477	1.9
109.34368	0.8
109.67385	0.6
111.08026	3.1
121.06493	1.1
123.04422	1.1
127.07520	3.1
134.03546	0.6
135.00789	12.7
137.09637	8.8
139.07550	4.9
153.01860	7.8
154.02203	0.8
155.10707	16.2
156.10982	0.9
161.02380	0.6
165.09149	2.3
170.42683	0.7
170.47910	0.7
183.10129	0.7
196.68288	0.6
197.15425	11.2
223.16989	0.7
248.12782	0.7
252.16759	0.8
295.22772	1.1
300.02667	0.9
321.20758	2.0
339.07211	2.6
339.21771	100.0
339.64899	1.5
340.22067	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	338.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26690	0.8
52.91119	0.8
59.01250	3.4
64.14953	0.9
65.76231	0.8
67.01762	0.9
69.54890	4.5
69.55316	2.9
71.01261	2.1
77.08253	1.0
81.03334	1.2
85.02829	10.9
86.03160	3.1
87.00749	5.5
88.01106	0.9
93.03339	12.9
94.03665	7.7
105.00041	36.4
109.02832	1.8
111.04404	2.4
112.00275	3.8
112.04724	1.9
117.03355	2.6
118.33390	0.9
119.04919	26.1
120.01152	3.8
120.05280	4.2
127.03936	2.0
128.03410	1.4
128.04247	1.2
129.01855	1.2
145.02834	7.2
146.03188	1.1
161.05952	1.1
163.03896	2.8
164.04256	2.8
173.04510	5.3
174.04846	3.2
188.07101	53.9
189.07451	3.0
191.05545	100.0
192.05884	73.2
193.05977	5.1
232.06113	16.4
266.04959	15.3
267.04987	1.2
274.52029	0.9
280.39465	1.0
338.09515	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03312	0.2
59.01249	1.5
60.99170	0.3
67.01768	1.3
69.03334	0.3
69.89343	0.2
71.01244	0.9
71.12431	0.2
73.02808	0.3
79.96912	0.2
81.03325	0.3
83.04888	0.4
85.02829	8.0
87.00758	2.4
93.03341	7.7
98.20600	0.4
99.04395	0.6
104.75615	0.2
109.02856	0.7
111.04412	1.8
113.02309	0.3
117.03361	0.3
118.72591	0.2
119.04913	2.9
127.03904	1.9
137.02344	0.4
145.02888	0.7
155.03369	0.4
163.03897	2.9
171.02965	0.4
173.04462	2.8
191.05548	100.0
192.04256	0.3
192.05888	3.2
196.98729	0.2
263.12939	1.1
311.02161	0.4
337.09366	1.3
338.03339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2387
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
53.86597	1.5
58.12972	1.5
59.01251	28.2
70.82114	4.7
72.25301	1.4
74.17874	1.2
78.95781	5.1
85.02814	2.4
97.02883	1.9
97.06461	2.5
173.04333	1.3
191.05540	3.9
195.17503	4.2
206.07568	2.1
209.15392	4.6
221.15479	2.7
223.17003	3.1
229.37410	1.8
239.16541	5.5
268.17194	1.7
272.03726	1.6
275.23688	1.7
277.21640	2.3
295.22757	8.5
301.21817	3.4
309.24203	3.4
319.22778	57.4
320.23083	5.2
337.23856	100.0
338.24124	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	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.1
60.99174	0.4
65.38226	0.3
67.01754	1.1
69.03342	0.5
70.22681	0.8
70.23067	0.5
71.01261	1.0
79.28798	0.3
83.04876	0.6
85.02823	7.1
87.00745	2.1
89.62656	0.3
93.03332	7.6
97.37067	0.3
109.02829	0.5
111.04420	1.9
119.04922	3.2
127.03880	1.9
145.02872	1.3
155.03461	0.6
163.03902	2.6
171.02887	0.5
173.04485	2.6
191.05540	100.0
192.05916	3.0
337.09265	1.2
339.25281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0932
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.83240	0.2
59.01257	1.0
67.01764	1.1
69.03333	0.3
69.30927	2.1
69.31342	0.7
70.44817	0.2
71.01257	0.8
81.03339	0.6
83.04899	0.4
85.02831	6.2
87.00745	2.3
91.08591	0.2
93.03340	7.2
99.04374	0.5
109.02868	0.3
111.04424	1.7
119.04921	2.1
127.03897	1.4
145.02824	0.9
163.03934	3.0
171.02911	0.4
173.04495	2.3
187.66444	0.3
191.05551	100.0
192.05896	3.5
218.57849	0.3
337.09210	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43687	0.6
59.01254	2.6
60.99189	1.0
67.01759	2.8
69.03318	0.6
69.55302	0.4
69.55569	3.8
71.01249	1.4
81.03331	0.7
82.58710	0.4
83.04896	0.8
85.02822	6.9
87.00755	5.8
93.03337	18.7
99.00747	0.8
107.86555	0.5
109.02800	1.0
111.04400	3.9
113.02319	0.7
117.03397	0.5
119.04918	7.2
120.05287	0.4
127.03905	2.0
145.02846	1.3
154.46718	0.4
155.03363	0.6
163.03928	6.0
164.04138	0.5
166.53700	0.5
171.02817	0.6
173.04483	6.1
191.05544	100.0
192.05881	3.6
224.91499	0.5
226.45183	0.5
315.28806	0.6
337.09296	1.2
349.94400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.1
59.01255	8.3
67.01745	0.7
68.99693	3.2
69.03313	0.9
71.00076	1.9
71.01259	7.2
72.99194	1.0
73.02828	3.3
75.00742	1.6
78.95782	12.4
80.82490	0.7
83.01250	1.7
85.02819	7.6
87.00751	5.7
89.02316	2.1
93.03260	0.6
96.96852	0.8
99.00748	6.0
101.02328	2.3
110.03475	1.0
110.98429	7.3
111.01888	100.0
112.02232	2.1
113.02335	6.4
113.99470	15.9
115.00272	9.5
125.02377	0.8
127.00259	3.0
129.01828	1.7
131.03453	1.0
137.14148	0.6
139.00308	0.9
142.99789	1.0
157.01329	3.8
163.43350	0.8
165.71585	0.7
169.01329	1.4
174.01634	14.1
175.02434	4.1
192.99057	2.1
193.03554	0.7
209.77290	0.8
225.01656	4.7
277.05627	15.9
277.08624	1.2
307.94870	0.7
337.07770	71.4
338.04715	0.7
338.08154	4.2
358.51196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96645	0.4
59.01239	1.5
61.90267	0.4
69.84769	2.7
71.01270	1.3
73.02825	1.2
76.75027	0.4
78.95779	9.7
85.02834	1.1
87.00779	0.5
98.20520	0.8
101.02369	0.5
110.03488	0.6
110.98425	5.9
111.01894	100.0
112.02230	1.8
113.02323	1.4
113.99501	0.7
115.00260	0.7
122.13946	0.4
131.03447	0.4
174.01593	1.0
175.02379	0.9
192.99016	1.3
203.49599	0.4
204.02254	0.4
225.01682	6.2
249.08646	0.4
277.05640	1.0
300.17535	0.4
337.04391	3.4
337.07837	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39867	0.8
66.38572	0.8
69.03313	1.0
69.22138	1.1
69.37616	1.4
69.38013	7.6
71.01262	1.1
76.09637	0.8
84.02031	2.2
90.53928	0.9
97.02821	5.6
99.08041	2.7
105.62556	0.9
115.07483	1.1
119.04918	2.3
127.07550	30.9
128.08377	1.2
129.09109	2.1
163.03839	1.8
165.12773	2.6
177.47563	1.0
181.12271	6.9
183.13860	5.7
195.13818	1.8
203.10489	3.5
217.08440	1.0
219.10126	1.4
221.11580	3.4
223.13121	16.8
233.07944	3.2
233.11540	14.1
235.09453	3.2
237.11116	4.0
261.11115	2.3
262.11853	17.7
265.10522	5.2
267.12146	29.6
268.12543	1.6
281.10001	1.1
303.19482	6.4
305.21094	3.0
315.19421	6.5
319.19055	1.5
331.18979	1.6
333.20483	100.0
334.20819	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	333.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24009	2.0
52.01792	4.3
58.02851	94.4
59.01231	9.9
60.67300	2.3
65.22555	1.8
69.09081	2.2
72.00766	2.0
82.06470	3.1
91.05434	2.5
107.04923	7.6
109.06501	2.5
111.01915	2.2
112.07603	2.5
114.01879	2.5
116.04946	100.0
117.05325	4.1
118.06515	19.2
119.04919	13.6
123.09184	32.0
126.09148	6.5
128.04933	3.9
129.10229	33.9
135.04411	2.0
137.10768	4.3
139.08687	14.7
140.10681	5.9
141.10167	2.9
144.29050	1.8
146.06061	4.3
146.48181	2.1
147.04410	2.2
149.41853	2.0
150.00168	2.0
153.10284	3.7
154.08606	3.0
163.03883	9.8
171.11320	51.6
172.07597	5.9
172.11638	2.5
174.05544	18.9
185.09221	3.6
198.12790	7.1
210.10095	9.5
215.15540	14.0
216.13902	4.0
231.15010	7.8
242.11807	94.8
243.12239	6.4
245.19011	3.5
257.16553	50.4
258.16919	3.9
259.14539	25.7
291.17075	7.9
301.15579	51.5
315.19504	3.0
333.17404	12.5
333.20978	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07147	0.3
58.82883	0.4
59.01255	2.7
69.25294	4.7
71.01263	1.3
73.02826	0.5
81.03342	0.6
85.02835	1.4
87.00774	0.8
89.02305	0.4
93.03358	1.4
95.01275	0.6
95.37672	0.4
97.80348	0.4
101.02318	0.5
105.03395	0.6
109.02828	0.9
111.04329	0.5
117.03342	7.4
119.04922	100.0
120.05257	3.3
121.02829	1.7
123.04403	2.7
125.02305	0.9
132.02075	3.1
133.02858	12.0
134.03200	0.4
135.04391	0.6
137.02322	0.6
145.02861	19.6
146.03197	0.9
149.02386	0.6
150.85576	0.4
151.00296	0.5
153.01910	0.4
161.02357	0.5
162.03197	0.7
163.03926	72.6
164.04263	3.7
173.04510	0.6
177.01894	1.7
179.03444	0.4
211.07610	0.5
255.06340	0.4
273.07645	4.4
333.06119	5.0
333.09854	4.2
333.15598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0617
Annotation	Cedrin
Peak:m/z	Relative Intensity
55.31224	0.3
59.01252	0.7
59.63025	0.2
63.02279	0.3
63.69019	0.3
65.00204	0.3
67.01765	0.6
68.99691	0.4
69.03326	1.4
69.28772	0.2
71.01273	0.4
77.03840	2.4
79.01759	0.6
80.82027	0.2
83.01266	2.1
85.02827	1.0
93.03334	3.3
95.01245	1.4
97.02836	12.4
98.03146	0.2
107.01269	0.5
109.02843	2.9
121.02850	11.7
122.03196	0.3
123.00780	0.7
123.44023	0.2
125.02364	0.3
137.02350	39.4
138.02727	0.9
139.03883	0.3
141.01759	0.5
148.09703	0.2
151.00307	1.0
153.30840	0.3
163.00301	1.1
163.03978	0.3
164.01080	0.3
165.01859	100.0
166.02174	3.1
178.99762	0.5
197.04504	34.1
198.04788	1.3
206.99255	0.3
209.00885	1.5
223.02530	0.4
229.92592	0.5
233.04648	0.3
247.13763	0.5
255.03006	1.4
257.04526	0.6
283.02499	0.7
284.03168	1.2
285.04178	0.3
301.03516	4.9
302.03760	0.4
315.05130	1.4
333.02258	0.5
333.06149	1.8
334.16962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0594
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
59.01244	0.4
59.49429	0.3
62.96286	0.4
70.50917	0.4
70.70450	1.1
71.01255	0.4
73.07696	0.3
73.44436	0.3
78.95779	100.0
80.96382	1.5
87.00757	0.3
94.98002	0.6
96.96844	18.3
122.97488	0.5
150.97879	1.0
152.99495	67.4
153.99818	0.9
171.00545	7.9
223.00105	0.9
241.01166	34.8
242.01544	1.4
243.01553	0.4
259.02316	1.8
333.05908	80.4
334.06262	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	333.0247
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
55.01747	2.8
56.50674	2.0
57.03325	2.5
59.01254	11.9
63.02269	14.5
65.00201	25.5
67.01744	4.0
68.99685	7.4
69.03316	8.4
70.33616	2.1
71.01257	14.1
71.57450	3.4
72.99152	3.7
75.00738	2.8
79.01749	5.0
79.90356	2.3
81.03324	6.1
83.01246	25.6
84.78559	2.4
85.02809	8.3
87.00761	3.2
91.01742	4.2
91.06464	2.7
93.03352	6.5
95.01264	26.7
96.99179	5.1
97.02834	9.9
99.00748	31.0
101.02336	3.0
101.24043	2.4
102.50311	2.5
107.01277	38.5
108.02060	4.2
109.02831	100.0
109.99989	5.5
111.00770	40.5
113.02334	4.2
117.03354	2.8
119.01240	3.3
119.04905	7.9
121.02863	6.5
123.00768	44.6
124.01617	11.6
125.02345	59.0
127.00290	3.0
129.01836	3.5
131.04980	2.4
133.02852	51.2
135.00777	15.6
135.04369	3.0
136.98703	16.2
137.02359	20.7
139.00270	64.6
139.03928	4.2
140.00955	9.0
141.00787	3.7
141.01834	48.5
143.04907	6.0
145.02829	5.1
147.00746	5.1
147.02859	3.4
147.04387	8.4
148.01556	3.3
149.02364	11.9
149.99475	6.8
151.00275	90.7
151.03931	2.7
152.01035	15.4
152.03436	3.0
153.00667	3.1
153.01855	57.9
158.03574	2.3
159.04405	8.5
161.02338	14.8
161.05959	6.0
163.00269	33.4
163.03920	7.5
164.01021	8.0
164.07016	3.1
164.98199	4.9
165.01862	11.5
165.99031	6.3
166.99785	49.9
168.00571	44.8
169.01350	49.2
171.04460	4.2
173.02354	3.9
174.03120	4.8
175.00304	4.1
175.03911	16.6
176.98184	4.7
177.01814	16.5
177.98975	3.3
178.99779	97.8
179.03416	3.6
180.00150	7.5
181.01259	4.7
185.00774	4.4
185.02252	2.7
187.03940	13.8
189.01855	7.8
189.05495	6.1
190.02513	5.5
190.99754	29.4
191.03380	5.2
193.01422	13.2
194.99309	38.8
195.99652	2.9
197.00894	18.4
199.03961	7.5
201.01837	7.8
202.02623	2.9
203.03493	11.9
204.97755	18.7
205.01292	15.0
205.04900	3.2
205.98441	5.4
206.99318	48.1
208.00009	14.1
209.00867	16.7
213.01967	3.1
215.03383	15.2
215.09276	3.8
217.01566	3.7
217.05009	10.4
219.02937	8.8
222.98807	68.3
223.99559	29.2
225.01741	3.1
226.02286	2.6
227.03464	9.9
229.01358	7.5
231.02951	5.1
233.00786	6.6
233.04504	28.6
243.02963	20.0
245.04539	7.5
246.97873	2.3
247.02466	12.8
259.02441	11.5
261.03973	10.3
271.02457	21.8
287.01953	34.3
289.03619	11.3
305.02930	8.8
315.01447	42.1
315.04822	4.9
316.01865	3.9
333.02493	60.5
334.02957	4.5
355.32028	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	333.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.8
56.50674	2.0
57.03325	2.5
59.01254	11.9
63.02269	14.5
65.00201	25.5
67.01744	4.0
68.99685	7.4
69.03316	8.4
70.33616	2.1
71.01257	14.1
71.57450	3.4
72.99152	3.7
75.00738	2.8
79.01749	5.0
79.90356	2.3
81.03324	6.1
83.01246	25.6
84.78559	2.4
85.02809	8.3
87.00761	3.2
91.01742	4.2
91.06464	2.7
93.03352	6.5
95.01264	26.7
96.99179	5.1
97.02834	9.9
99.00748	31.0
101.02336	3.0
101.24043	2.4
102.50311	2.5
107.01277	38.5
108.02060	4.2
109.02831	100.0
109.99989	5.5
111.00770	40.5
113.02334	4.2
117.03354	2.8
119.01240	3.3
119.04905	7.9
121.02863	6.5
123.00768	44.6
124.01617	11.6
125.02345	59.0
127.00290	3.0
129.01836	3.5
131.04980	2.4
133.02852	51.2
135.00777	15.6
135.04369	3.0
136.98703	16.2
137.02359	20.7
139.00270	64.6
139.03928	4.2
140.00955	9.0
141.00787	3.7
141.01834	48.5
143.04907	6.0
145.02829	5.1
147.00746	5.1
147.02859	3.4
147.04387	8.4
148.01556	3.3
149.02364	11.9
149.99475	6.8
151.00275	90.7
151.03931	2.7
152.01035	15.4
152.03436	3.0
153.00667	3.1
153.01855	57.9
158.03574	2.3
159.04405	8.5
161.02338	14.8
161.05959	6.0
163.00269	33.4
163.03920	7.5
164.01021	8.0
164.07016	3.1
164.98199	4.9
165.01862	11.5
165.99031	6.3
166.99785	49.9
168.00571	44.8
169.01350	49.2
171.04460	4.2
173.02354	3.9
174.03120	4.8
175.00304	4.1
175.03911	16.6
176.98184	4.7
177.01814	16.5
177.98975	3.3
178.99779	97.8
179.03416	3.6
180.00150	7.5
181.01259	4.7
185.00774	4.4
185.02252	2.7
187.03940	13.8
189.01855	7.8
189.05495	6.1
190.02513	5.5
190.99754	29.4
191.03380	5.2
193.01422	13.2
194.99309	38.8
195.99652	2.9
197.00894	18.4
199.03961	7.5
201.01837	7.8
202.02623	2.9
203.03493	11.9
204.97755	18.7
205.01292	15.0
205.04900	3.2
205.98441	5.4
206.99318	48.1
208.00009	14.1
209.00867	16.7
213.01967	3.1
215.03383	15.2
215.09276	3.8
217.01566	3.7
217.05009	10.4
219.02937	8.8
222.98807	68.3
223.99559	29.2
225.01741	3.1
226.02286	2.6
227.03464	9.9
229.01358	7.5
231.02951	5.1
233.00786	6.6
233.04504	28.6
243.02963	20.0
245.04539	7.5
246.97873	2.3
247.02466	12.8
259.02441	11.5
261.03973	10.3
271.02457	21.8
287.01953	34.3
289.03619	11.3
305.02930	8.8
315.01447	42.1
315.04822	4.9
316.01865	3.9
333.02493	60.5
334.02957	4.5
355.32028	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	333.025
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
54.58041	4.7
60.45181	4.4
63.02268	15.5
65.00195	25.5
68.99702	5.4
71.01250	7.2
71.22102	11.5
75.21444	5.4
80.58040	4.6
81.03320	6.3
83.01247	24.0
95.01248	25.7
99.00759	24.9
107.01275	39.0
109.02836	90.6
111.00761	46.1
119.04855	5.1
121.02785	6.6
123.00770	37.1
124.01560	13.9
125.02343	55.5
133.01903	8.7
133.02841	53.8
135.00798	14.9
136.98692	21.7
137.02330	17.4
137.28612	4.9
139.00276	67.1
141.01814	42.5
149.02357	8.2
149.99443	6.0
151.00284	100.0
152.00992	17.2
153.01833	64.1
161.02356	11.9
163.00279	29.0
163.03891	6.8
164.01039	7.4
164.98195	5.5
166.99783	45.9
168.00574	44.5
169.01320	42.8
175.03911	13.5
176.88571	5.2
177.01816	17.6
178.99783	97.7
180.80310	5.6
187.03928	12.1
189.01775	11.6
190.99792	28.2
193.01379	12.1
194.99239	32.0
197.00867	27.7
199.03979	9.7
201.01834	5.9
201.05475	5.4
203.03387	11.3
204.97697	15.4
205.01337	14.7
205.98532	8.4
206.99271	74.5
208.00009	11.3
209.00815	14.9
215.03404	14.0
216.15573	5.6
217.05019	9.4
219.02919	10.0
222.98799	67.4
223.99570	28.4
227.03448	7.0
229.01376	7.5
233.04556	28.4
243.02931	18.4
245.04449	8.0
247.02277	13.5
259.02435	10.1
261.04099	8.0
271.02356	21.8
287.01987	30.0
288.02188	5.5
289.03592	9.2
305.02719	7.1
309.20779	5.2
315.01514	54.2
333.02417	60.3
334.02997	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	331.1919
Annotation	Sordaricin
Peak:m/z	Relative Intensity
53.18721	4.8
57.03331	6.7
59.01278	10.4
71.01279	7.8
71.58471	8.9
79.01778	6.3
81.03336	14.4
83.04905	16.7
91.01783	14.5
93.03335	22.1
95.04922	11.5
102.55342	4.5
107.04924	6.3
109.02846	20.3
117.03378	17.5
119.01283	9.6
119.04939	23.7
121.02846	16.6
121.06523	12.1
122.03635	31.3
123.08059	99.4
130.04128	13.9
131.04926	12.6
133.06482	23.9
134.03639	7.9
135.04468	5.2
136.05226	42.7
137.02383	28.9
137.05991	9.1
137.09639	12.0
139.03954	7.7
140.58791	4.4
145.02853	6.1
146.03636	7.7
147.04405	36.3
147.08000	11.5
148.05206	29.6
157.06480	5.8
159.08076	17.5
164.04701	12.2
166.06287	6.0
171.08109	9.8
175.07578	5.6
208.35492	4.6
231.13889	12.2
239.18059	10.8
241.15936	8.6
251.18019	26.4
255.17491	13.6
257.19101	17.6
258.19400	5.1
265.16174	7.8
267.17474	23.0
269.19122	100.0
270.19482	12.3
271.16882	6.5
276.70819	4.8
283.17065	38.1
285.18518	27.4
295.17026	33.0
301.18100	39.7
313.18149	19.7
331.06918	6.8
331.19162	57.2
331.23904	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	331.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48254	0.8
59.01240	1.6
60.41738	0.7
69.03329	12.3
71.01261	2.8
71.57520	1.6
72.20992	0.6
84.49505	0.7
93.03345	1.6
93.25186	0.7
97.02833	54.7
97.06480	1.6
98.03153	1.5
111.04386	1.5
125.02378	1.5
125.05963	3.7
127.07530	1.2
140.66032	1.0
151.52223	0.7
152.00827	2.3
153.01854	1.0
165.01610	0.9
165.12798	0.8
169.01344	1.0
177.01642	1.3
178.02403	6.6
183.13745	0.7
191.03200	5.9
210.01421	7.4
219.06351	7.4
221.11781	0.8
233.07967	1.6
233.11510	2.9
234.08691	1.5
261.11075	61.1
262.11835	100.0
263.12155	4.4
267.12061	1.7
294.10846	12.9
301.17990	1.2
313.18027	2.0
331.18945	20.0
332.19388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1764
Annotation	Rosiridin
Peak:m/z	Relative Intensity
53.36921	0.7
55.01757	10.0
56.91050	0.8
57.03329	6.5
58.00474	1.7
59.01254	41.5
69.03326	1.0
69.22323	5.3
69.22755	4.1
71.01254	100.0
72.01589	1.7
72.99185	3.4
73.02819	36.1
75.00745	2.1
83.01260	17.8
84.02056	1.3
85.02824	49.6
85.99985	0.8
86.03181	1.2
87.00787	4.0
89.02324	6.1
93.03291	0.9
95.01263	9.3
97.02832	2.7
98.20543	1.9
99.00761	14.5
101.02323	69.9
102.02657	1.0
111.00785	1.0
111.54492	0.8
113.02329	41.2
114.02653	1.2
125.02329	2.6
129.01843	1.7
143.03429	4.6
151.00267	1.3
159.02924	10.3
161.04460	41.9
162.04787	1.1
169.12340	1.4
205.03560	1.2
259.02539	0.9
331.06976	1.3
331.14072	1.4
331.17618	10.1
332.25662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	6.4
57.03330	6.6
58.00471	2.3
59.01253	29.3
65.00207	2.6
69.03334	1.7
69.28116	2.3
69.28533	6.5
71.01256	100.0
72.01591	2.0
72.99181	2.9
73.02819	31.2
74.02381	0.8
75.00748	1.2
81.03313	1.0
83.01258	13.3
85.02828	47.2
87.00746	4.1
89.02309	12.0
95.01272	8.7
97.02840	3.2
99.00760	13.1
99.04441	0.7
101.02327	57.3
102.02701	0.9
107.01281	3.3
111.00733	0.9
113.02333	42.1
119.03414	2.9
121.02853	1.0
123.00770	1.2
125.02343	3.9
129.01852	1.4
136.01588	2.2
143.03423	2.7
146.82881	0.8
147.00667	1.3
148.01570	1.1
151.00282	8.2
159.02908	8.0
161.04462	27.4
162.04893	1.4
169.01385	0.9
170.01889	0.9
173.00655	0.8
178.99773	5.8
179.03410	0.8
199.03958	2.3
204.54414	0.8
213.14989	1.4
227.03339	1.4
230.59114	1.0
241.14470	3.0
243.02979	2.0
255.02950	2.0
271.02478	12.1
272.02951	1.7
299.01962	7.1
300.02777	9.3
301.03339	2.8
331.04648	2.7
331.11884	1.0
331.17728	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	331.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23594	1.3
53.56396	1.4
57.03318	1.7
58.02854	2.7
59.01253	1.8
69.03331	2.4
69.52679	5.4
69.53107	6.6
70.02858	14.0
71.01237	2.6
71.02401	2.1
72.00797	2.5
95.02399	8.4
98.76989	1.5
103.49122	1.2
107.01321	1.7
111.01906	2.2
111.04407	5.9
112.91595	1.3
113.03463	45.6
114.01872	48.6
123.00805	1.3
124.01565	5.6
125.02357	11.4
131.04535	100.0
149.99411	1.6
151.00304	2.4
160.94389	1.5
168.00575	17.5
169.01306	4.3
186.11298	5.1
198.11292	5.2
199.09714	11.0
216.12389	8.5
246.24315	1.4
313.14191	1.9
331.06656	15.3
331.14966	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	331.1402
Annotation	Gluroside
Peak:m/z	Relative Intensity
51.87634	1.1
55.01758	2.8
57.03335	8.2
58.00461	3.4
59.01258	53.2
61.58133	1.3
69.03316	1.6
70.07453	1.1
71.01256	42.7
71.04907	1.8
71.57877	1.7
72.99176	5.0
73.02824	12.9
81.03328	2.7
83.01271	4.4
83.04871	3.1
85.02828	21.6
89.02331	18.1
99.00765	4.9
99.04401	1.6
101.02325	8.7
101.13957	1.1
103.03932	1.2
104.08504	1.4
108.83038	1.1
113.02348	5.0
116.04933	1.4
119.08578	8.6
121.46642	1.2
123.08052	2.2
124.85513	1.1
125.02374	1.6
128.03456	6.8
131.03441	2.9
141.09116	5.3
141.83838	1.1
155.10780	1.3
156.22929	1.3
163.07562	5.2
167.07080	12.2
169.08629	9.7
181.08647	1.8
192.43675	1.0
203.08229	3.0
212.38190	1.1
300.76465	1.2
301.13010	1.7
313.12927	6.6
331.13989	100.0
332.14417	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	331.1401
Annotation	Gluroside
Peak:m/z	Relative Intensity
50.33493	0.9
51.74739	1.0
53.89405	0.9
54.46508	0.9
55.01754	2.7
57.03316	2.5
58.00461	3.4
59.01256	100.0
69.02252	1.0
69.63824	6.9
71.01258	75.8
72.99188	3.3
73.02813	3.7
83.01264	2.7
85.02830	15.5
87.00742	1.5
89.02322	80.5
90.02633	1.7
99.00754	1.2
101.02329	9.3
101.98155	0.9
106.05917	1.0
113.02328	9.8
118.29367	1.0
119.03375	2.3
119.08561	83.5
120.08871	3.1
131.03397	11.6
149.04440	5.2
163.07565	60.6
164.07895	2.5
165.09135	1.6
176.35666	1.2
181.08617	3.7
183.10243	1.8
301.12912	4.0
313.12949	75.1
314.13245	6.3
331.13986	52.4
332.14316	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	331.1399
Annotation	Gluroside
Peak:m/z	Relative Intensity
50.05446	1.7
50.32102	2.0
50.69904	2.0
51.39420	2.0
57.03329	7.0
58.00470	3.2
58.88319	2.1
59.01252	86.3
66.74174	2.0
67.05370	2.6
67.87281	2.0
69.03329	5.4
69.41451	1.9
70.29256	2.4
71.01256	100.0
71.12865	4.7
72.99173	6.5
73.02814	7.4
83.01271	3.2
85.02821	17.2
89.01761	3.1
89.02320	61.8
89.02830	5.0
99.00780	5.1
101.02325	5.4
109.43761	2.3
111.04416	11.2
113.02335	9.6
119.08560	62.1
123.04477	3.0
125.02330	5.0
125.09637	3.8
128.03450	2.2
131.03444	14.5
132.04424	2.6
147.20158	2.2
149.04478	4.7
163.07578	26.6
167.06021	3.0
168.00572	2.2
169.01262	3.5
169.08618	4.8
181.08620	6.7
187.09669	2.7
197.07094	2.4
199.09676	16.8
221.04205	2.1
227.03256	2.0
270.05692	2.7
285.07645	7.0
300.10013	3.7
313.12973	31.1
314.61993	2.4
331.06836	3.1
331.14145	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.13264	1.3
69.03313	2.1
71.14217	3.5
89.87439	1.4
91.43075	1.3
95.01270	1.5
97.02857	1.6
111.32377	1.2
123.00768	3.7
124.01555	11.1
125.02347	51.7
126.02641	1.1
127.54811	1.1
149.99509	16.1
168.00558	55.3
169.01218	5.5
195.63795	1.2
313.05902	7.1
315.29303	1.4
331.06711	100.0
332.07129	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	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.02177	0.4
55.63440	0.4
68.37676	0.4
69.03325	2.0
70.02845	0.9
70.99448	1.0
77.93698	0.4
80.75842	0.4
81.03327	1.1
83.01262	1.2
95.01283	0.5
95.02377	0.6
97.02829	1.6
102.29875	0.4
107.01274	1.0
111.04424	0.6
113.03467	1.9
114.01874	2.9
123.00761	2.9
124.01554	9.5
125.02338	48.0
126.02666	1.5
131.04515	6.5
146.42233	0.4
149.02440	0.5
149.98289	1.0
149.99487	18.6
151.00291	4.6
159.02870	1.2
167.03374	0.9
168.00555	49.9
168.99826	0.5
169.01317	6.7
177.82632	0.4
182.92860	0.4
193.01343	0.7
199.09753	1.1
211.02496	0.8
240.68019	0.6
261.71799	0.4
280.74335	0.5
294.51556	0.5
313.05646	7.9
331.06711	100.0
332.07071	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	331.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	9.6
65.00197	4.9
69.45432	19.9
70.02846	4.8
71.01273	2.6
71.02375	2.2
72.00783	2.4
81.03333	2.5
83.01264	20.1
98.20587	3.9
107.01280	13.5
111.01900	3.3
111.04401	3.3
113.03468	18.8
114.01870	23.1
124.01597	3.0
125.02352	72.6
131.04539	52.6
149.99535	3.5
151.00302	64.0
152.00652	2.5
168.00557	15.6
169.01357	42.9
175.00302	6.1
186.11259	4.0
193.01402	6.9
199.09734	7.7
212.69394	1.9
216.12456	4.6
219.82083	2.1
285.77139	2.1
313.14200	2.7
331.06766	100.0
331.15253	7.0
332.07047	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	331.0461
Annotation	Quercetagetin 3'-methyl ether
Peak:m/z	Relative Intensity
52.53288	2.1
57.28004	2.1
58.41035	2.1
59.01256	11.1
63.02261	3.4
63.44440	2.2
65.00184	8.0
71.01247	10.1
71.34702	3.0
75.00754	3.6
81.03311	2.4
83.01249	13.5
85.02847	5.4
89.02312	4.8
93.03327	5.2
95.01265	6.5
101.06024	2.1
107.01287	11.7
109.02851	8.1
109.99979	11.5
111.00755	8.3
119.08538	4.4
123.00773	6.6
123.04424	7.9
124.01547	8.8
125.02341	13.8
133.02844	5.0
136.01434	2.7
136.98688	4.6
137.02379	5.3
137.99466	3.9
139.00264	9.3
143.04895	2.7
149.02313	12.4
151.00269	29.2
151.03891	3.6
152.01071	20.4
153.01857	22.8
157.08632	5.0
159.04301	2.5
161.02350	2.5
163.00269	8.9
164.01057	8.9
165.98979	9.7
166.99739	2.7
169.01361	6.5
173.04431	15.7
174.03171	3.0
175.03889	2.3
177.01874	5.1
178.99802	23.7
180.00436	3.0
181.01335	10.3
187.03923	3.3
189.01944	2.9
190.99823	3.0
192.00536	2.7
195.02950	5.9
199.03970	7.6
201.01875	4.5
206.99277	12.9
208.00047	2.8
214.02733	5.3
215.03412	6.6
216.04170	4.2
219.02875	2.6
226.02560	3.0
227.03407	13.4
228.04260	2.8
229.01376	2.5
231.02960	6.1
232.03746	3.5
241.01382	7.2
242.02138	7.0
243.02911	21.5
244.03648	3.2
255.02972	7.7
259.02393	12.9
260.03458	2.9
270.01758	14.4
270.04770	2.4
271.02490	52.5
272.03223	23.0
285.04077	4.7
287.01941	20.0
287.05569	10.4
288.02652	7.4
298.01129	6.8
299.02063	25.5
300.02490	10.4
313.03656	13.5
316.02240	100.0
317.02661	6.5
331.04568	90.4
331.13132	3.0
331.18921	3.0
332.04919	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	330.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28403	1.9
57.92664	1.7
59.01256	3.5
65.99730	2.4
66.03342	2.7
68.01285	7.7
68.99698	12.0
69.03339	1.9
71.01268	4.5
71.56568	2.8
71.56960	2.3
80.49761	1.8
82.02837	3.3
83.01251	2.7
84.00797	2.8
87.00750	4.2
89.02315	3.3
94.02877	3.3
96.00799	4.3
96.04464	5.5
96.99227	8.9
97.02883	2.0
98.02378	3.9
99.00767	9.1
100.88141	1.7
109.01588	1.9
110.02364	8.7
112.00300	15.5
112.03941	2.4
113.02351	3.1
122.02369	4.6
122.05998	8.8
124.00301	12.2
124.03938	6.2
125.02390	2.7
126.01868	6.0
127.00251	6.3
131.04594	2.0
136.07568	4.2
136.23091	1.8
138.01859	13.7
140.03426	7.6
145.29129	2.0
146.05937	2.0
150.05545	20.2
151.99742	2.3
152.03452	3.3
157.01280	5.4
159.02908	5.7
166.01396	3.6
168.00626	3.4
168.02957	22.6
169.01396	2.0
184.02425	12.2
186.04050	14.6
196.02518	3.6
198.03989	9.8
210.00256	3.4
223.86772	2.2
226.03535	8.7
242.03040	5.7
270.02570	37.4
271.02927	2.4
312.10962	7.8
330.04694	100.0
330.11893	3.6
331.05615	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
50.37701	0.3
54.21923	0.3
57.03330	0.6
57.93632	0.3
58.00468	1.6
59.01253	4.6
68.34816	0.3
69.03340	0.4
71.01261	2.7
72.99174	0.4
73.02804	1.2
75.13927	0.3
83.04913	0.5
85.02827	1.4
86.78152	0.3
89.02312	1.0
97.06451	0.4
99.08038	8.4
101.02314	1.0
103.03906	0.4
113.09574	0.4
121.02821	0.5
121.10153	0.7
127.07533	1.2
127.11189	0.9
129.09105	6.9
139.11185	1.7
153.12724	0.6
155.10661	0.6
155.14319	0.4
165.09064	0.5
167.10712	0.7
167.14294	0.6
169.12262	4.0
171.10220	4.4
181.12279	4.8
182.12604	0.7
183.13808	1.7
193.12248	1.9
196.84767	0.3
197.11740	2.1
199.13356	17.5
200.13664	0.9
209.11743	0.4
211.13359	14.0
212.13673	0.5
227.12834	0.8
229.14397	2.8
250.26707	0.4
275.20242	0.6
293.21323	3.5
294.21719	0.5
299.04791	0.4
309.15021	0.4
311.22296	3.1
314.03668	0.6
315.69638	0.3
329.05887	2.1
329.23322	100.0
330.20023	0.7
330.23663	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	329.1607
Annotation	Schizonepetoside B
Peak:m/z	Relative Intensity
55.01753	4.4
57.03316	1.8
58.00484	6.4
59.01254	100.0
62.77114	1.3
71.01258	67.6
72.99169	7.7
73.02438	2.1
73.02820	23.9
81.03339	6.2
83.01256	6.3
83.04910	3.2
85.02827	32.4
89.02319	16.9
94.84303	1.1
97.02872	1.2
99.00777	8.2
99.04391	5.1
101.02333	20.0
103.03889	10.4
108.02010	1.7
109.02838	1.8
119.03442	5.4
121.02843	1.8
121.10119	20.5
127.03876	4.1
145.04959	4.4
145.28027	1.1
148.05211	1.4
150.03166	1.5
157.45477	1.1
159.04369	1.9
160.05176	2.9
161.06013	2.2
163.06114	1.4
164.42920	1.1
165.09172	7.3
175.07558	2.7
229.86784	1.3
241.10423	1.1
248.39978	1.3
252.24768	1.2
329.16174	36.2
330.16415	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	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03318	1.2
59.01229	0.3
64.23485	0.3
69.03329	0.6
69.39370	1.2
69.39793	1.6
71.04915	0.4
78.83408	0.3
83.04882	0.7
85.02819	0.6
88.72883	0.3
89.12743	0.3
97.06477	0.7
99.08051	6.2
125.09597	1.8
127.11198	2.7
129.09135	0.4
134.90887	0.3
137.09608	0.3
139.11209	2.9
155.10655	0.4
155.14308	1.3
165.12762	1.0
167.10760	0.4
167.14322	1.4
171.10187	9.0
183.13826	5.8
184.14185	0.4
193.12273	2.0
197.75217	0.4
199.13354	0.6
209.11758	1.5
211.13351	32.9
212.13696	1.7
221.41583	0.3
229.14409	18.6
230.14723	0.6
271.02423	0.5
293.21320	1.1
299.02103	0.4
311.22339	1.0
329.23334	100.0
330.23660	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	329.1608
Annotation	Schizonepetoside B
Peak:m/z	Relative Intensity
52.81717	0.7
53.06652	0.8
55.01775	4.1
57.03329	2.6
58.00470	5.3
59.01255	100.0
68.99689	1.3
69.03321	0.8
71.01258	66.7
72.01625	0.8
72.99184	6.9
73.02822	24.7
75.00719	0.9
81.03336	6.2
83.01258	6.2
83.04905	3.0
85.02830	36.5
87.00742	1.3
87.98767	0.8
89.02322	17.1
89.02827	1.1
90.45450	0.8
95.01283	1.2
97.02810	1.2
99.00760	8.6
99.04395	4.3
101.02332	22.0
103.03900	12.6
108.02082	1.5
109.02845	4.5
115.03978	0.9
119.03398	6.8
121.10121	23.1
127.03903	4.8
133.22623	0.8
145.04979	6.2
148.05273	2.0
149.06030	0.9
160.05258	2.6
161.06007	1.5
163.03995	1.4
163.06064	1.4
165.09128	6.1
167.10690	1.0
175.07634	1.6
183.10075	0.8
329.16144	38.1
330.16440	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	329.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.7
58.00448	1.4
59.01252	14.3
65.00171	5.9
69.03300	1.4
69.28474	3.1
69.28872	9.1
71.01257	18.0
72.24545	1.2
72.99184	4.1
73.02822	6.9
74.19080	1.1
75.00750	13.0
83.01264	1.7
83.04893	1.3
85.02826	4.9
87.00750	4.5
89.00213	2.1
89.02325	3.2
91.01818	1.4
95.04895	1.5
97.02818	2.7
99.00710	1.7
99.08009	1.5
101.02333	7.6
103.03885	1.8
105.01824	35.3
107.01321	1.7
108.02009	1.6
109.02852	1.3
111.08056	1.9
121.02843	1.8
121.10121	3.4
123.08091	1.4
149.02377	4.4
151.00284	3.4
160.05196	2.1
165.01842	8.6
165.09137	2.2
165.12781	17.5
167.10768	1.6
175.07588	1.5
177.05490	1.9
183.04404	1.3
183.13826	21.0
184.14194	2.1
199.03973	2.6
199.12996	1.4
207.13815	2.3
209.11700	1.9
211.13332	9.2
213.14943	7.7
221.11789	5.7
227.03513	5.6
227.12833	13.4
229.14375	2.3
231.02968	1.4
233.11772	1.4
237.14883	2.1
239.12863	12.8
241.14417	19.1
243.03017	3.0
243.15714	1.3
247.13135	1.3
249.14958	1.6
251.12857	6.4
253.14197	1.5
255.03026	1.8
263.12970	2.8
265.14575	2.0
269.13956	11.2
271.02487	66.7
272.02844	5.3
281.14038	2.8
293.14105	6.8
299.01990	63.7
300.02472	6.5
314.04330	100.0
315.04739	9.9
327.94562	1.3
329.03244	3.0
329.06662	86.1
329.16397	6.2
329.23361	15.6
330.06943	8.9
332.51126	1.2
343.02347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1606
Annotation	Epijasminoside A
Peak:m/z	Relative Intensity
55.01754	2.7
57.03315	3.0
58.00467	5.2
59.01253	100.0
60.01598	1.2
69.03329	1.2
69.53767	1.2
71.01256	56.6
71.57775	1.5
72.01584	1.2
72.99174	6.3
73.02431	2.1
73.02818	19.8
75.00755	1.2
81.03322	6.3
83.01242	5.1
83.04902	2.0
85.02826	27.8
85.99970	1.1
89.02320	16.0
99.00738	6.5
99.04405	4.2
101.02319	19.0
101.74688	1.1
103.03887	12.3
109.02856	3.6
111.26077	1.2
115.75952	1.0
119.03426	3.7
121.10121	17.1
122.10432	1.2
127.03937	2.9
127.52274	1.1
129.01775	1.1
145.04924	2.7
151.00336	1.1
155.73790	1.0
159.04448	1.3
160.05161	2.8
161.05989	2.1
165.09134	15.1
167.03511	1.0
167.10718	3.1
175.07610	2.1
178.02901	1.0
180.06718	1.1
200.62236	1.1
246.15715	1.2
329.16098	54.4
330.16467	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	329.1606
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
54.32278	1.2
55.01757	3.3
57.03321	3.2
58.00468	5.1
59.01255	100.0
69.48725	11.9
71.01259	69.1
72.99195	6.3
73.02826	25.0
78.13902	1.2
81.03327	8.4
83.01246	6.1
83.04939	2.9
85.02834	33.5
89.02323	14.4
98.09160	1.3
98.19764	1.5
99.00764	9.7
99.04420	6.4
101.02321	19.9
103.03894	11.8
109.02845	2.5
119.03371	3.6
121.10123	28.2
127.03897	3.6
145.04958	7.2
148.33678	1.3
149.02383	1.4
151.00291	2.2
163.00403	1.5
163.38313	1.4
165.09142	9.9
167.10654	3.4
199.03883	1.6
215.03464	2.9
241.09814	1.6
243.02927	3.8
245.00961	1.5
257.00882	4.2
261.00430	1.8
271.02487	22.3
285.04047	2.0
286.01404	1.5
299.01950	11.6
301.03641	2.0
314.04303	17.2
315.04742	2.0
329.03091	2.5
329.06552	9.5
329.16064	40.1
330.07025	1.9
330.16531	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1608
Annotation	Schizonepetoside B
Peak:m/z	Relative Intensity
50.47688	1.1
55.01762	4.5
57.03339	3.1
58.00473	4.3
59.01254	100.0
62.02907	1.1
63.02257	2.0
65.00205	1.5
71.01257	64.5
72.99192	4.7
73.02824	21.1
81.03342	5.4
83.01257	7.5
83.04906	3.1
85.02825	34.3
89.02320	17.7
94.61623	1.2
98.20583	2.5
99.00778	8.8
99.04410	4.4
101.02335	20.5
101.02988	1.3
103.03901	14.3
107.01291	3.1
109.02854	4.5
119.03401	6.9
121.02873	2.8
121.10123	22.3
125.02405	1.5
127.03909	3.8
133.02864	2.0
145.04953	6.8
149.02328	2.4
151.00281	7.7
165.07916	1.4
165.09161	8.7
175.07640	1.7
178.99771	2.4
183.01750	1.2
225.06662	2.1
285.04156	3.9
286.04358	1.6
301.03534	8.3
329.02997	3.6
329.16104	36.7
330.16434	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	329.1398
Annotation	(-)-Thannilignan
Peak:m/z	Relative Intensity
55.11909	0.8
57.02916	0.8
57.12525	0.8
59.01254	20.3
68.97936	0.8
71.01256	9.7
72.99209	0.9
73.02820	4.6
77.89809	0.8
81.03384	1.5
83.01289	1.7
85.02821	6.5
89.02377	2.8
91.05492	0.8
93.03371	0.9
99.00810	1.2
99.04439	1.4
101.02319	4.5
103.03954	2.7
105.03387	0.8
108.02090	1.0
108.99217	0.7
109.02905	1.1
119.03442	1.3
121.02845	15.2
121.10126	3.5
122.03658	5.6
123.00793	3.3
123.04428	1.8
124.01585	3.0
127.03968	1.0
130.04156	0.8
131.04950	2.5
136.01595	1.1
136.05228	4.0
137.02391	2.8
137.05978	1.2
143.04997	2.3
145.02846	1.6
145.06544	1.4
146.03603	1.5
147.04436	12.2
149.02353	4.5
149.06009	0.7
150.03136	18.9
151.00273	1.3
151.03929	1.7
153.05438	1.7
158.03647	14.6
158.04851	1.2
159.04434	47.2
160.05222	100.0
161.06003	44.6
162.06352	1.3
163.03914	15.6
164.04707	15.8
165.09171	2.6
173.06001	11.9
174.06703	1.0
175.07571	76.4
176.04678	2.0
176.07918	4.2
177.05492	18.9
178.06277	17.6
191.07071	1.0
192.07800	1.5
193.08632	9.5
227.03474	0.9
243.02779	0.8
249.15060	0.8
267.15887	0.8
271.02533	7.1
298.98813	0.8
299.01965	12.1
299.12680	1.6
300.02264	1.1
309.41858	0.9
314.04404	3.7
314.11606	1.5
329.06406	6.4
329.13705	83.7
330.14124	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	4.7
59.01249	3.4
62.87096	0.7
65.03803	1.1
66.66392	0.9
67.05405	4.1
69.03334	13.8
69.33997	0.9
71.01254	2.4
72.99184	0.8
73.02821	1.4
75.00749	2.4
83.04886	0.9
85.02834	41.5
86.03149	0.8
98.20586	1.9
99.00743	0.9
101.02340	23.5
103.03926	0.9
111.04417	30.4
112.04762	1.2
125.09608	7.5
128.44473	0.7
129.01845	100.0
130.02187	2.1
132.04485	1.9
134.05972	1.1
137.09717	1.2
147.02916	11.7
151.00223	0.8
155.10744	1.1
161.04625	1.1
162.05508	2.6
166.02600	3.2
167.03360	1.3
169.08658	2.9
181.08617	12.4
193.03741	2.1
194.40274	0.9
199.09709	79.7
200.10005	4.3
285.12466	2.6
326.00647	1.1
329.12225	5.1
330.12170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	5.4
59.01232	2.8
64.61425	1.2
67.05397	2.3
69.03329	15.8
69.77950	6.8
71.01237	1.9
78.47269	1.2
79.78312	1.2
80.96382	1.0
85.02824	41.4
86.67853	1.2
90.38383	1.1
98.19823	2.2
101.02321	25.1
111.04408	27.5
117.16605	1.0
125.09592	5.5
129.01834	100.0
130.02232	1.6
147.02910	11.8
166.02602	4.0
167.03267	1.3
169.08624	2.6
181.08641	12.5
188.63316	1.2
199.09691	68.6
200.10020	2.9
239.68770	1.2
253.30376	1.1
268.44327	1.3
329.12323	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	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.41578	0.7
50.85928	0.6
57.03318	1.3
59.01247	1.4
69.03328	0.7
70.19717	2.1
70.22553	0.6
71.01255	1.0
81.03333	5.0
83.01263	4.0
85.02851	0.8
93.03249	0.6
95.04893	1.0
96.23785	0.7
102.51796	0.6
112.87528	0.9
116.83964	0.5
119.04924	0.7
123.04415	36.2
124.04749	0.8
124.52551	0.6
125.02335	6.7
129.01811	1.3
134.03609	1.0
149.02357	1.3
149.06010	2.3
149.10625	0.7
151.00294	2.0
153.06615	0.8
163.04018	0.7
166.26416	0.5
166.41660	0.6
166.73705	0.6
167.03421	100.0
168.03758	4.1
181.08585	1.0
209.04471	1.4
258.10690	0.6
277.48132	0.6
289.06290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0667
Annotation	Dillenetin
Peak:m/z	Relative Intensity
59.01253	3.4
71.01264	2.0
73.02802	0.9
83.01260	0.6
85.02329	0.3
85.02820	1.0
89.02320	0.4
96.08647	0.3
97.69384	0.3
99.00824	0.4
101.02355	0.8
104.38739	0.4
107.01276	0.8
114.19650	0.3
121.10107	0.8
133.02849	0.9
139.11232	0.5
143.04982	0.7
145.04921	0.6
147.00795	0.4
151.00249	1.7
155.04959	0.4
157.02829	0.7
165.09181	0.4
171.04404	1.7
171.10150	0.4
173.02394	0.3
175.03909	1.2
183.04414	0.6
187.03947	0.9
189.05418	0.5
197.02362	0.5
198.03264	0.4
199.03949	6.9
199.13376	0.4
201.01852	2.0
203.03471	1.0
211.03969	0.3
211.13335	0.9
215.03490	3.9
216.03680	0.3
225.01820	0.5
226.02641	1.1
227.03445	5.5
228.03871	0.5
229.01288	0.5
229.14391	0.4
242.02191	4.6
242.04573	0.3
243.02979	17.8
244.03357	1.0
255.02974	1.5
257.04550	4.1
270.01697	4.1
271.02478	69.5
272.02774	4.4
279.11386	0.3
282.01590	0.6
285.04086	7.3
286.04721	2.3
299.01974	100.0
300.02359	7.3
314.04327	47.1
315.04648	3.6
328.22275	0.6
329.06668	72.4
329.15683	1.3
329.23315	6.8
330.07010	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0669
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
59.01234	1.1
67.02162	0.3
71.57108	0.3
81.26883	0.4
93.63195	0.3
107.01337	0.4
109.02846	0.5
129.09167	0.3
133.02863	0.6
147.00792	0.4
151.00255	1.2
155.04953	0.4
171.04408	1.1
171.10197	1.0
175.03914	1.0
179.93912	0.3
187.04012	0.6
199.03952	3.7
201.01860	1.3
203.03473	0.8
211.13391	0.6
215.03479	2.3
226.02614	0.4
227.03468	4.2
229.01329	0.4
242.02144	1.0
243.02950	4.7
255.02893	1.0
269.04575	1.2
270.01669	0.8
271.02490	62.2
272.02838	4.5
282.01608	0.4
285.04059	1.9
285.18646	0.4
286.04794	0.7
299.01978	100.0
300.02344	7.1
314.04337	91.1
315.04700	6.8
329.06677	44.9
329.23267	3.8
330.07028	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	329.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59031	0.6
53.69730	0.7
59.01212	3.0
63.02270	8.3
65.00191	13.9
70.34668	1.4
70.35061	1.6
71.01219	2.1
72.54091	0.6
73.02797	0.7
81.03338	0.7
83.01257	10.4
85.02816	0.8
93.03340	5.2
95.01210	0.9
98.19936	0.8
101.02263	0.7
101.51273	0.7
102.05450	2.0
105.03336	5.8
105.56813	0.6
107.01274	25.7
108.02075	0.7
108.99192	0.8
109.02817	3.5
121.02847	19.6
125.02271	2.4
133.02789	1.3
137.02373	1.1
139.03885	1.4
141.78391	0.7
143.04889	0.7
147.04382	1.3
148.01469	0.9
149.01231	1.0
149.02348	15.4
151.00281	73.0
151.73813	0.7
152.00665	2.5
159.04373	1.5
161.02287	1.9
163.00233	1.4
164.01031	1.3
167.03406	1.0
167.04819	0.8
169.01340	7.4
170.57239	0.6
171.04436	1.3
175.03928	1.0
177.00742	0.6
177.01883	7.5
178.99786	39.2
180.00044	1.0
183.04410	1.2
185.05980	1.0
187.03923	1.2
192.00505	1.3
193.01352	3.7
199.03938	1.0
201.05508	1.1
211.03917	2.0
213.05527	0.7
215.03638	0.8
225.06715	2.1
225.11215	1.2
226.11617	1.2
227.03429	1.0
229.04997	3.0
238.85141	0.8
239.03464	1.8
243.02765	1.0
245.04538	2.3
255.02925	2.2
257.04501	3.6
273.04132	4.1
283.02499	2.9
299.01877	1.0
300.02759	2.5
301.03528	100.0
302.03876	8.2
311.01981	10.7
312.02423	1.2
314.36646	0.7
315.55789	0.7
328.17838	1.8
329.03030	40.7
329.18124	1.4
330.03513	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	328.0455
Annotation	cAMP
Peak:m/z	Relative Intensity
59.01259	1.0
60.66579	0.4
70.85980	1.0
80.41479	0.5
89.02328	0.6
92.02439	0.6
105.42299	0.5
107.03517	4.5
119.03384	0.5
123.04298	0.5
134.04628	100.0
135.05016	2.4
240.79236	0.5
328.04584	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	328.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21303	2.4
57.03318	5.9
59.01241	12.4
61.76730	2.8
63.01062	2.7
65.99706	5.2
69.03326	3.2
69.55421	6.4
69.55835	18.2
71.01244	11.9
73.02822	3.5
75.00752	3.5
82.49059	2.6
83.01282	4.5
85.02819	5.7
89.02310	2.9
93.03358	7.2
95.01246	3.6
97.02843	6.6
98.19782	4.6
101.02312	3.5
107.04926	4.2
109.02837	34.7
111.04369	4.5
116.07017	3.9
121.02844	13.4
122.03637	7.2
123.04427	18.9
124.01519	2.8
125.02333	38.8
129.01840	7.7
135.04434	14.1
137.02336	59.9
138.02805	3.4
139.03912	11.1
145.02893	5.5
147.04451	4.3
148.03893	13.2
149.02362	27.5
150.03177	13.7
151.03931	20.1
159.04333	3.5
160.03966	7.6
161.02330	11.4
161.04672	3.0
161.06010	3.4
162.01793	4.3
162.05449	3.8
163.00241	3.9
163.02678	2.8
163.03932	13.9
164.01036	10.0
164.03429	5.3
165.01889	20.1
166.04947	3.5
167.03395	4.2
172.03963	17.8
173.05980	4.1
175.03934	8.8
176.03378	5.3
177.01830	8.7
178.02625	6.1
179.03406	20.2
188.03467	3.6
190.05025	6.1
191.03400	10.4
199.09685	6.4
205.05051	5.3
213.05498	9.9
214.06294	3.4
215.07088	43.9
216.07414	4.3
218.04533	4.6
233.08160	12.0
240.04543	2.7
242.08133	6.9
255.06551	3.9
257.08191	23.7
259.06094	8.1
283.06049	5.6
284.09280	13.5
288.06305	3.4
299.04919	3.2
301.07187	47.6
302.07324	3.5
310.07211	8.8
313.10272	3.4
328.08237	100.0
328.22427	3.8
329.08322	3.5
342.19098	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	327.2542
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.33635	6.9
55.86489	7.1
56.20701	6.6
59.01241	16.1
69.70341	27.1
69.70751	31.0
81.03392	8.7
83.04918	20.8
93.01735	8.2
93.95152	7.8
116.76315	9.2
128.00156	7.7
185.00739	19.0
234.96548	8.2
235.20729	35.3
253.21741	100.0
327.18326	24.1
327.21985	9.7
327.29031	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	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03312	1.6
57.34655	0.5
69.03319	1.0
70.89304	1.7
70.92939	0.5
83.04895	0.9
85.02834	5.1
95.04881	1.0
97.06487	5.2
103.11185	0.6
116.44975	0.5
125.09673	0.8
127.11166	1.7
137.09647	1.6
148.17683	0.5
165.12791	1.1
167.14282	1.4
171.10191	14.0
177.12758	1.0
181.12286	0.7
183.13858	5.7
185.11752	1.4
193.12247	1.9
197.11714	0.8
209.11800	2.2
211.13347	24.6
212.13658	1.4
221.11813	3.8
227.12830	0.8
229.14427	18.0
239.12949	2.9
291.19730	4.0
309.20728	1.2
327.21777	100.0
328.22095	7.7
334.88116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.9
57.03312	1.9
58.00477	4.7
59.01256	100.0
60.01587	1.0
69.70953	6.9
71.01260	64.2
72.99187	5.8
73.02825	5.9
75.00742	2.1
75.31540	1.0
81.03343	1.1
83.01252	3.7
83.04884	2.5
85.02831	15.2
87.00758	3.3
87.04401	1.6
88.03852	1.0
89.02325	66.2
95.01263	3.5
101.02333	35.3
102.02682	1.0
113.02336	20.6
113.03454	1.3
114.01873	1.0
119.03397	25.5
131.03491	2.3
131.04514	3.3
142.08182	0.9
143.03413	4.4
147.06541	2.6
149.04474	2.2
161.04451	5.3
164.04634	1.0
165.07613	33.7
166.07950	1.0
179.05527	17.6
202.89409	1.0
267.10834	1.3
327.09375	1.2
327.13025	21.2
328.13214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01756	0.8
55.46140	0.3
56.52971	0.3
57.03326	2.8
58.00464	0.4
59.01244	1.5
69.03328	2.7
69.38850	0.3
71.01251	1.5
71.04894	0.6
80.45568	0.3
81.03309	0.5
83.04907	1.2
85.02827	11.0
89.02325	0.5
93.03345	0.4
95.04912	1.2
97.02853	1.4
97.06476	4.7
98.06738	0.3
109.06453	0.5
110.03623	0.4
111.08063	1.0
116.98215	0.3
119.08569	1.1
123.08093	0.5
124.01589	0.6
125.09618	1.7
127.11185	2.3
128.77109	0.3
137.09598	3.0
144.04480	0.5
151.00288	0.7
155.10721	1.3
165.12701	0.9
167.14313	0.8
171.10191	27.3
172.10513	1.4
177.12794	1.1
181.12170	0.5
183.13860	4.8
183.56288	0.4
185.11765	1.9
193.12302	1.3
195.13751	0.4
197.11827	1.0
201.11250	1.3
209.11739	2.0
210.12163	0.4
211.13344	20.5
212.13693	1.1
221.11809	3.1
227.13023	0.4
229.14421	14.1
230.14825	0.7
237.18613	0.7
239.12866	3.0
247.20622	0.4
265.18073	1.4
273.18594	0.7
283.19174	2.3
291.19727	4.0
292.19998	0.4
299.02042	0.5
309.20688	2.2
311.01987	0.5
312.02820	3.8
313.03131	0.5
327.05133	4.4
327.21777	100.0
328.05383	0.5
328.22110	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0876
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
51.84935	0.4
57.03355	0.5
69.25422	5.8
73.66380	0.5
85.02858	2.0
97.06509	0.7
105.02997	0.5
111.08069	0.5
115.27139	0.7
126.49715	0.5
127.71862	0.5
137.09645	0.9
149.99504	0.5
151.00217	0.5
158.03734	0.7
159.63651	0.6
160.01624	0.6
161.02383	0.9
161.99556	1.1
170.03598	0.6
171.10199	4.3
174.03122	1.3
174.40067	0.5
182.03624	1.1
183.13893	0.9
185.11781	1.7
186.03151	0.7
187.00336	0.7
197.11839	1.2
198.03198	1.4
202.02579	0.7
211.13379	2.9
221.11790	0.7
222.41373	0.5
225.01924	0.6
226.02705	12.6
227.03275	1.2
228.04008	0.7
229.01395	10.4
229.14442	1.7
238.02771	2.6
239.03473	0.7
239.12866	0.5
254.02219	100.0
255.02634	7.4
256.03757	1.7
266.02145	2.5
269.04578	41.2
270.05026	2.8
282.01804	2.8
283.02444	0.9
284.03278	2.0
291.19638	0.8
294.01733	2.8
297.04077	24.6
298.04456	1.8
309.04126	0.6
309.20651	0.7
311.01886	0.6
312.02847	8.4
312.06381	64.4
313.03345	0.8
313.06729	5.0
327.05026	18.7
327.08743	28.2
327.21765	17.6
328.05426	1.7
328.09079	2.3
328.21970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08660	0.5
57.03339	1.2
65.00225	1.8
65.05065	0.5
65.83729	0.6
69.03348	1.5
71.01282	1.3
71.04906	0.8
85.02828	4.7
85.40516	0.6
95.01253	0.6
95.04939	0.6
97.02847	0.8
97.06479	1.0
98.19830	1.3
98.80122	0.6
107.01272	2.8
111.08097	1.3
124.01562	5.4
124.21861	0.6
125.02377	0.6
125.09624	1.0
127.11163	0.8
132.02098	2.2
134.73738	0.6
137.09669	2.0
144.70972	0.8
146.03827	0.6
147.00819	1.1
151.00290	7.7
152.01083	5.7
159.00809	1.1
160.01532	3.1
161.01253	0.5
161.02348	3.7
162.03127	1.2
171.10190	13.3
174.03169	0.9
178.99799	1.9
183.04474	1.4
183.13887	0.9
184.05099	0.8
185.11787	0.7
187.00349	2.5
188.01079	1.7
188.04797	0.8
198.03232	0.9
199.03918	1.5
200.04848	0.9
201.11313	0.8
211.03983	2.1
211.13380	2.6
212.04741	2.1
214.02658	1.7
215.03502	0.8
223.04070	0.7
224.04739	0.8
227.03500	3.1
228.04272	1.0
229.14391	2.0
229.23561	0.8
239.03452	2.2
240.04199	3.4
242.02165	1.4
243.03026	1.6
255.02953	2.7
256.03784	6.1
265.18130	1.5
266.02280	2.2
267.02887	3.0
268.03796	1.7
270.01706	1.6
271.95990	0.6
283.02457	5.0
283.19183	2.1
284.03220	5.3
291.19699	1.1
294.01974	1.1
295.02441	0.7
298.01196	0.7
299.01993	1.7
309.20712	2.0
311.01984	8.8
312.02765	100.0
313.03070	8.1
327.05096	94.7
327.21780	37.0
328.05472	8.5
328.22153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09166	0.4
56.06942	0.4
57.03329	0.9
59.01256	1.5
62.06764	0.4
62.73821	0.5
65.00201	1.7
69.50370	4.1
80.19298	0.5
83.01258	0.9
85.02831	1.1
94.23020	0.5
98.20528	1.0
104.02581	0.5
107.01269	3.7
124.01532	0.9
125.02349	1.9
131.01273	0.6
132.02078	2.4
133.02837	1.6
149.02335	1.0
149.99446	1.1
151.00291	7.1
160.01576	4.2
161.02304	1.2
165.78680	0.5
171.10178	2.2
174.03117	0.6
183.04425	1.0
183.13860	0.8
187.00317	1.8
188.04716	0.6
192.56038	0.5
195.04323	0.7
197.11716	0.6
199.03920	1.7
203.03508	0.6
211.03928	1.4
211.13361	1.0
221.96982	0.5
227.03456	4.8
228.04155	1.1
239.03435	1.9
243.02988	1.5
255.02925	4.7
256.03754	24.4
257.04077	1.5
266.02097	1.4
267.02991	2.2
283.02493	5.3
284.03287	33.7
285.03580	2.4
294.01627	0.7
295.02481	29.6
296.02802	2.6
309.20413	0.9
311.01974	10.6
312.02771	100.0
312.95187	0.6
313.03134	8.0
327.01514	6.6
327.05069	73.1
327.21793	10.7
328.05389	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	327.0512
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
63.02264	0.4
64.90993	0.4
65.00201	0.8
69.03329	0.4
69.20760	0.3
69.80693	2.2
75.72323	0.3
85.02831	0.9
85.79549	0.4
97.02807	0.5
97.06458	0.4
107.01286	1.2
121.02856	0.7
124.01537	1.7
125.02338	0.5
133.02847	0.9
139.03893	1.5
146.48155	0.4
149.99530	0.7
151.00281	1.3
159.00749	0.8
160.01576	1.5
161.02388	2.6
162.03180	0.9
165.01881	1.5
171.10196	1.9
174.03162	0.7
182.03659	0.5
183.04448	0.5
187.00273	1.4
198.03104	0.8
199.04019	1.4
200.04681	0.8
205.01324	0.5
210.03172	0.9
211.03976	1.2
211.13374	1.0
212.04800	1.8
213.01913	0.5
214.02699	1.3
215.03448	0.6
223.03986	1.2
226.02649	3.1
227.03508	3.6
228.04222	1.5
229.01434	2.0
229.14439	1.0
238.02730	1.2
239.03482	1.6
240.04236	2.3
242.02132	0.9
243.02972	1.3
254.02217	20.1
255.02885	5.6
256.03769	13.0
257.04147	0.8
266.02197	11.1
267.02985	2.6
268.03497	0.6
269.01660	0.5
269.04565	9.1
269.07318	0.7
282.01797	0.5
283.02524	3.3
284.03268	9.1
285.03616	0.9
294.01736	12.0
295.02399	2.2
297.00818	0.4
297.04059	5.4
298.04376	0.4
309.04025	1.9
311.02020	3.4
312.02783	44.6
312.06445	14.1
313.03128	3.2
313.06772	1.0
327.05130	100.0
327.08578	6.1
327.21780	7.3
328.05472	7.8
328.08957	0.5
349.91983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22563	0.6
59.01243	1.9
65.00199	4.0
71.58091	0.7
71.58475	0.9
93.03352	0.7
95.01279	3.4
97.06448	0.7
107.01310	0.7
109.02834	1.3
121.02829	1.5
123.00778	11.1
133.02850	2.5
133.33182	0.6
137.93828	0.6
148.01622	0.6
149.02299	1.0
149.99487	11.8
151.00354	2.7
151.03886	0.8
160.01564	2.0
161.02359	3.8
162.03148	16.4
165.01778	1.2
168.00562	0.5
169.01347	0.6
172.57027	0.6
175.00304	0.7
175.03922	1.1
177.01860	1.2
181.01312	0.7
183.04401	1.2
188.01042	1.2
199.03917	1.9
200.04697	1.8
210.03149	2.2
211.03943	4.2
212.04680	2.5
213.01814	1.6
214.35083	0.6
215.03691	0.5
227.03452	7.5
228.04221	4.6
229.04555	0.8
238.02617	2.8
239.03500	3.5
240.04121	1.8
241.01390	1.1
253.14488	0.7
255.02924	10.1
255.16110	0.8
256.03754	10.6
265.01431	1.1
266.02185	6.8
267.02997	3.4
268.03543	0.7
269.00943	1.1
271.02481	1.0
281.00977	0.6
282.01736	0.9
283.02472	9.9
283.10690	0.7
284.03192	6.6
294.01715	13.9
295.02283	2.6
297.07654	1.0
299.01834	1.3
311.01886	3.6
312.02765	64.8
313.03152	4.5
327.05093	100.0
328.05475	8.5
344.01788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.5
59.01253	0.9
63.02259	0.3
65.00201	1.3
65.78856	0.2
69.03329	0.4
71.01251	0.9
73.02834	0.2
83.01257	0.4
85.02816	0.8
87.83750	0.2
89.02323	0.4
90.55317	0.2
91.01780	0.4
97.02807	0.3
97.06462	0.3
101.02341	0.3
107.01268	1.3
109.02800	0.4
113.02319	0.3
119.01297	0.7
121.02837	0.5
125.02309	0.3
125.09595	0.3
129.09096	0.6
133.02840	0.3
135.00768	0.4
137.02347	0.6
137.09645	0.4
139.05397	0.3
141.03368	0.3
143.04950	0.8
145.02821	0.4
147.00780	1.0
147.04437	0.4
149.02335	0.9
151.00296	2.3
155.04915	0.8
157.02901	0.4
159.04445	1.3
161.02365	1.0
163.00270	0.9
165.01849	0.4
167.04901	1.1
169.02893	0.6
171.04436	1.5
171.10182	2.6
173.02295	0.3
175.00291	1.5
175.03893	0.5
176.01114	0.3
177.01886	0.5
178.99753	0.3
182.03650	0.8
183.04408	2.3
183.13866	0.6
185.02332	1.0
185.11739	0.7
187.03865	1.7
189.01865	1.2
193.01387	3.1
193.03033	0.4
193.12227	0.3
195.04518	0.4
197.02275	0.3
197.11772	0.7
198.03061	0.3
199.03912	1.4
200.01102	1.0
201.01883	0.8
201.11279	0.4
203.03395	1.4
209.02281	0.3
210.03111	0.5
211.03972	2.5
211.13388	1.0
213.01834	1.2
213.05600	0.4
215.03421	1.1
217.01357	1.9
226.02582	0.3
227.03484	4.6
228.04041	0.5
229.01445	0.4
229.14426	0.6
231.02962	1.0
237.02014	0.4
239.03465	1.6
243.03009	1.0
253.01602	0.4
253.14444	0.4
255.02965	3.1
256.03519	0.5
259.02444	1.2
271.02563	2.0
281.01047	0.4
283.02457	2.2
283.14301	0.3
285.00342	0.6
290.18683	0.4
291.19342	0.5
299.01950	3.1
309.20737	0.7
312.02737	1.0
326.20813	0.4
327.01468	100.0
327.21741	9.0
328.01822	8.6
328.05731	0.5
328.22202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89546	1.1
57.01070	1.3
59.01252	3.1
71.54874	1.1
71.58271	2.3
71.58643	1.7
88.82327	1.3
112.68980	1.1
119.04917	1.4
125.09594	2.1
139.11195	4.3
171.10211	3.1
177.12775	2.0
183.01137	14.3
193.12291	1.9
197.02745	13.4
209.11798	1.7
237.66850	1.1
249.22176	1.4
267.32776	1.2
291.19623	7.9
293.21310	15.6
307.13455	1.9
307.19061	2.3
307.22650	1.4
310.21515	5.7
325.14801	3.4
325.18411	58.8
325.23825	100.0
326.18704	5.1
326.24283	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.69378	0.6
52.89369	0.5
58.71389	0.6
59.01233	0.6
65.09834	0.6
69.51744	2.7
69.52174	2.3
98.19859	0.9
119.04903	0.8
133.06532	0.7
134.60623	0.5
135.61124	0.6
149.09634	89.7
150.10011	4.5
155.49670	0.6
163.11211	100.0
164.11568	5.8
170.00398	1.3
183.01155	24.5
184.01814	2.4
197.02734	1.9
236.45506	0.7
265.25513	1.5
325.18405	36.3
325.21832	88.3
325.27078	3.0
326.18744	4.3
326.22171	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	325.2021
Annotation	Albocycline M-3
Peak:m/z	Relative Intensity
50.48671	8.0
51.33620	8.1
52.09254	10.2
59.01262	27.0
71.57852	12.4
71.58238	10.4
77.07072	8.7
86.68484	9.5
86.77551	7.6
95.04920	11.2
119.04923	12.6
124.60822	8.6
125.09625	36.9
129.14941	9.0
137.09630	16.7
149.91771	8.8
151.11177	12.0
163.11133	10.4
171.10133	18.1
180.27602	9.2
183.01064	11.9
185.11867	12.4
197.11763	19.8
209.11739	32.9
218.75000	8.7
253.16228	17.7
281.91638	9.6
289.18204	13.0
307.19226	100.0
309.16116	8.8
325.20657	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49425	2.5
51.95206	2.2
53.14441	2.0
55.63381	2.5
56.06650	2.4
57.03320	11.3
58.00491	3.0
59.01241	4.5
69.03319	4.8
71.01263	5.9
71.04896	9.3
73.02843	3.4
83.04887	6.6
84.02057	2.8
85.06467	3.8
93.03334	3.0
95.04909	3.3
97.02840	7.7
97.06476	7.9
109.06493	39.0
111.08068	4.2
123.08125	4.8
125.05954	5.4
127.07555	3.3
141.09007	2.6
169.12306	9.1
171.10141	2.6
181.12309	4.6
183.13841	3.3
185.11771	3.7
193.12347	5.0
197.09979	5.6
197.11789	84.8
198.12132	4.4
199.13281	6.6
209.11797	6.0
211.13356	36.4
212.13820	3.0
213.11145	2.9
216.37943	2.6
223.13312	2.9
227.12941	3.2
229.39589	2.5
235.13448	4.4
237.14948	6.7
240.34935	2.6
249.14883	3.6
277.62341	2.5
289.18021	3.5
307.19177	7.5
325.20230	100.0
326.20642	8.4
331.54065	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
50.81589	1.4
59.01263	3.1
70.32592	1.4
72.99185	2.3
84.02037	1.4
95.04910	3.1
97.06448	1.7
111.08016	2.6
115.07555	5.4
123.08056	2.4
125.09705	1.7
127.07535	1.9
130.64708	1.5
141.09103	5.3
151.11212	8.9
153.12784	3.1
155.10692	1.8
171.10184	8.0
180.75694	1.6
181.12299	2.5
183.13872	3.2
185.11795	5.5
197.11780	8.0
199.13356	5.1
201.11267	7.1
206.77170	1.6
209.11868	3.8
210.12624	2.0
211.13234	1.9
213.11273	2.4
215.12836	5.4
224.71104	1.7
225.66731	1.6
227.12840	11.9
229.14412	14.2
254.02333	1.7
258.73734	1.6
261.18646	3.2
263.19998	2.2
279.19724	12.7
280.19839	1.7
282.01764	12.3
289.18076	4.6
297.20828	1.7
307.19122	12.7
310.01233	30.8
325.03555	29.0
325.20221	100.0
326.03882	4.8
326.20563	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19390	1.2
57.03310	1.6
69.49716	10.9
71.01247	4.6
71.04890	2.1
72.02029	1.5
73.02824	1.7
83.04897	5.6
84.02051	4.8
86.70878	1.2
93.61069	1.5
95.04905	2.1
97.06486	1.3
99.04376	1.7
99.08030	3.9
109.06473	2.0
111.04488	1.4
111.08018	1.6
112.05145	1.9
115.07530	3.1
121.16219	1.3
123.04389	1.3
123.08015	1.9
125.09612	8.7
127.07543	17.0
135.08067	3.9
137.09537	1.3
139.07536	4.6
153.09125	24.0
155.10690	4.9
160.02280	1.2
163.11176	5.5
165.12709	3.2
171.10182	20.2
178.09897	5.0
185.11760	21.0
191.10716	1.9
191.14462	1.7
197.11758	22.2
207.10289	1.4
209.11768	95.0
209.85579	1.6
210.12091	4.5
227.13000	1.9
238.12050	8.8
239.16408	1.7
242.88191	1.5
245.19104	4.1
253.18036	1.5
256.13113	5.0
258.48962	1.4
265.17944	1.9
279.19516	1.8
289.18076	11.8
297.20789	2.0
307.19147	100.0
307.58945	1.3
308.19525	10.4
325.20181	35.8
326.20551	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Plakortenone
Peak:m/z	Relative Intensity
55.24920	1.5
59.01265	2.7
71.04922	3.3
71.57288	1.8
121.02896	4.6
122.03680	4.1
152.85674	1.8
162.04475	1.9
165.12733	1.6
167.14372	4.5
171.10298	2.0
171.62616	1.9
183.01152	4.1
193.15982	3.0
207.17549	4.9
209.11816	2.9
231.17644	2.2
249.18626	35.2
250.19081	2.8
275.16580	21.1
281.21118	8.3
293.17615	100.0
294.17990	6.0
307.19031	9.1
325.20313	65.0
325.23892	7.5
326.20596	3.7
326.88510	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.6
58.00468	2.1
59.01259	1.4
69.03333	3.4
70.87437	2.1
70.87770	1.5
71.01261	5.2
71.04889	2.8
73.02807	1.8
80.02568	2.4
81.03347	2.8
83.04906	9.9
84.02059	4.8
85.02868	1.2
95.04902	3.5
96.10215	1.1
97.02832	5.1
97.06485	4.5
99.08049	3.5
109.06519	1.9
111.08038	2.2
115.07538	2.5
121.06520	1.8
125.05936	1.2
125.09605	3.2
127.07551	15.8
127.11169	1.9
137.18237	1.3
139.07562	4.5
141.12791	1.3
147.16216	1.1
149.09657	1.1
153.12689	1.2
155.10722	2.0
157.08632	1.6
163.11212	6.0
165.12746	3.6
171.10226	3.2
178.09877	3.3
181.12280	2.2
185.11746	17.9
191.10701	2.3
193.12386	1.5
195.10190	3.4
197.11789	22.0
199.13348	1.4
207.10371	1.9
209.11777	100.0
210.12077	6.6
211.13307	2.0
227.12831	4.1
236.10432	1.8
237.11447	1.1
238.12067	8.6
239.16402	1.2
242.26253	1.3
245.18935	1.7
249.14838	1.3
251.16321	1.9
253.18097	2.2
256.13126	2.6
289.18137	6.4
307.19153	78.6
308.19479	7.3
325.20178	36.4
326.20596	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
70.34723	3.0
109.35809	1.0
119.04919	80.0
120.05261	3.2
123.18014	0.8
138.15419	0.9
145.02861	2.2
163.03925	100.0
164.04239	5.9
174.53818	1.0
205.04907	0.9
223.73969	0.9
339.41403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2229
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.29580	0.6
53.37223	0.7
59.01274	1.1
69.37894	6.4
71.01289	0.8
97.06502	1.1
102.72999	0.6
107.57447	0.6
111.08129	0.6
123.04443	0.8
124.83559	0.7
125.09702	1.0
127.07561	0.7
135.68796	0.6
151.07486	0.7
156.04297	0.8
163.11226	0.9
165.09177	1.1
165.12828	1.4
167.10774	0.9
191.14496	1.1
193.12410	1.2
213.09828	0.7
261.22232	4.8
287.20193	0.7
291.19696	6.1
305.21243	100.0
306.21564	8.0
308.20035	0.9
313.34503	0.8
323.22278	25.5
324.22614	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	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51189	2.4
57.51379	2.2
59.01263	4.3
61.05893	2.2
70.87544	4.3
70.87909	4.6
71.01250	6.3
84.02036	3.5
85.02840	3.2
95.04927	4.5
97.06469	20.2
107.04902	3.7
111.08016	2.5
122.68594	2.3
124.05186	7.7
125.05980	100.0
126.06831	15.1
127.07583	4.5
161.04485	2.8
163.11150	2.8
163.45656	2.7
165.12761	11.9
176.96588	2.4
177.12758	4.0
193.12306	3.1
221.11829	5.8
225.14967	5.3
247.20663	3.7
252.13791	10.1
253.14441	44.6
254.15199	43.8
255.15651	4.3
256.83423	2.3
263.20114	2.7
273.18518	6.4
286.14203	6.5
291.19574	25.7
305.21237	22.5
323.16888	11.6
323.22263	77.2
324.17282	3.6
324.22467	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	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92324	0.8
53.73090	0.6
55.61308	0.6
56.33560	0.6
57.03315	0.7
59.01244	2.7
63.02169	0.6
65.24567	0.6
71.01264	1.0
71.58472	0.8
84.23763	0.7
86.71185	0.7
89.02325	1.0
102.33208	0.6
113.02332	1.1
123.04468	1.1
137.05952	1.5
156.04190	0.7
165.09119	1.6
165.12694	1.2
167.14340	0.7
169.01556	0.7
169.45000	0.6
189.12726	0.9
190.98247	0.7
191.14212	0.8
191.47888	0.7
261.22214	3.7
279.23224	0.9
291.19775	0.8
305.21225	100.0
306.21570	7.9
323.16620	3.8
323.22278	16.0
324.22620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.223
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
54.34734	1.9
57.03322	2.1
59.01254	10.6
59.01500	1.6
71.01258	5.2
71.04899	2.6
71.57703	1.9
80.09565	1.8
81.03345	1.7
83.04881	2.0
85.02853	2.5
87.00783	2.1
95.04893	1.8
97.06487	4.5
98.35734	2.0
99.00695	2.1
111.04369	1.6
111.08054	7.1
113.02340	3.7
113.23185	1.6
119.08533	2.2
121.10100	4.4
125.09631	4.8
137.09621	7.4
171.10204	10.4
177.12805	4.2
185.11775	7.8
194.13077	2.5
195.13843	4.3
197.11742	1.6
209.11847	5.4
221.11809	7.9
222.12442	3.5
225.11459	2.4
225.14902	6.2
238.12099	2.0
253.14484	5.8
254.11595	2.9
273.18640	6.6
291.19681	72.4
292.20047	7.4
305.17883	3.8
305.21136	21.2
323.22287	100.0
324.22781	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	323.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.4
59.01254	9.7
60.89857	2.0
69.03334	4.4
70.00250	9.7
71.01251	5.6
83.04895	2.9
88.99177	1.8
89.02285	1.8
93.03316	2.0
96.95866	2.9
97.06469	3.0
101.02333	2.7
107.04951	2.0
108.54446	1.6
109.06444	2.0
111.08027	3.2
113.02293	2.6
119.04908	3.0
119.08513	2.4
123.08080	3.2
125.09618	8.5
137.09645	11.8
151.11163	3.4
153.09129	2.3
163.11209	4.5
165.09160	3.1
165.12764	4.2
169.12305	2.4
171.10208	15.2
179.10695	3.2
181.12233	5.2
193.12392	1.8
197.11769	29.0
203.31421	1.6
209.11827	3.5
213.14836	5.5
217.15996	2.0
221.11768	2.5
225.14914	2.0
229.19699	2.2
239.12863	3.5
241.10855	2.0
273.18597	8.9
290.54108	1.8
291.19653	47.8
291.22693	3.5
292.20087	1.9
305.21179	14.6
307.19232	2.1
308.19916	5.6
323.16589	3.9
323.22275	100.0
324.22501	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	323.1864
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
57.03314	3.6
59.01251	15.1
60.83777	1.8
61.74136	1.9
69.03330	3.6
69.39312	20.4
71.01270	6.2
71.04910	5.7
81.03342	6.6
83.04900	9.6
89.02325	3.1
95.04924	7.1
95.93500	1.9
97.06498	6.3
98.19756	3.7
107.04933	12.5
109.02908	3.4
109.06464	6.1
110.03617	2.3
113.02328	4.1
113.06004	3.0
113.09644	2.8
115.07550	12.9
121.02822	2.2
123.08047	3.4
125.02256	2.8
125.05989	5.4
125.09617	9.8
127.07559	3.7
135.08083	7.4
137.05997	3.1
137.09627	8.9
151.11203	7.5
153.09123	12.2
153.12691	2.1
163.11195	12.6
171.10201	5.4
176.08340	4.9
178.09839	2.7
189.09090	3.0
191.10715	2.8
191.14359	2.6
193.12260	2.4
197.11794	14.1
199.13324	2.4
207.10265	15.6
209.11778	100.0
209.13791	4.9
210.12039	4.8
215.12953	3.3
221.11806	3.1
225.11273	19.7
225.14868	4.6
227.12897	9.0
235.20544	2.8
236.10483	4.0
243.17549	2.6
253.14453	4.3
261.18576	6.5
273.18561	4.5
279.19696	16.5
287.16623	8.7
291.19556	12.1
305.17587	74.5
305.21216	16.6
305.99478	1.9
306.17996	6.1
323.18591	17.5
323.22293	29.5
324.22699	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.19753	1.4
55.78302	1.3
57.03077	2.2
57.03329	19.2
59.01241	5.2
69.03335	3.3
70.68007	3.0
70.68338	2.0
71.01238	2.0
71.04908	3.5
73.02770	1.4
78.79772	1.3
80.02517	2.2
81.03323	1.6
83.04904	8.5
85.06467	7.4
95.04914	3.5
97.06465	3.6
107.04920	15.2
109.06461	4.8
110.03619	2.6
121.02783	1.5
123.04421	2.7
125.02350	1.3
125.05965	4.7
125.09671	8.5
125.10407	1.5
127.07510	1.8
135.08046	5.9
137.05974	1.7
137.09625	3.7
139.07481	1.5
151.07504	3.0
153.09106	12.8
155.10649	4.9
163.11191	6.6
165.12753	4.9
167.10712	2.1
171.10217	3.5
176.08301	2.0
178.09959	4.1
181.15868	2.0
185.11755	4.3
191.10735	1.8
197.11765	15.6
207.10222	10.9
209.11781	100.0
210.12090	4.8
225.11307	9.6
235.16830	2.9
236.10509	3.4
240.70067	1.6
243.17479	3.1
261.18646	5.9
261.22165	1.5
277.18134	2.0
279.15970	4.2
279.19275	2.6
287.16647	9.9
305.17542	82.4
305.21228	32.2
306.17862	7.8
306.21506	3.1
323.18570	12.3
323.22229	45.8
324.22610	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	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.4
59.01249	2.8
69.92459	2.6
69.92868	4.4
71.01260	1.5
71.04891	1.5
80.02570	1.7
81.03341	2.4
83.04903	6.5
95.04909	4.8
97.02859	1.9
97.06478	3.7
99.57595	1.3
107.04916	13.1
109.06465	2.7
110.03619	1.8
113.06011	1.6
121.02839	1.6
123.04433	1.8
123.08036	2.6
125.02332	3.6
125.06041	5.8
125.09609	9.8
127.07406	1.1
130.08624	4.6
131.08983	2.5
135.04469	1.0
135.08084	5.5
147.04349	1.2
147.99141	1.1
149.09712	1.4
153.09129	15.4
154.09470	1.2
163.11183	7.3
165.12782	3.7
176.08366	3.4
177.09201	1.3
178.09875	3.6
185.11766	4.6
190.09935	1.2
191.10735	1.6
194.59874	1.1
197.11761	14.7
207.10214	9.9
209.11784	100.0
210.12021	5.2
225.11264	7.8
236.10507	1.5
243.17731	1.6
251.16370	1.7
253.10738	1.8
261.18555	5.6
263.16348	1.9
277.18158	2.2
279.19730	5.4
287.16577	12.4
305.17596	81.0
306.17847	6.5
323.18552	20.4
324.18994	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	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54600	2.6
55.01748	5.3
57.03319	8.9
59.01241	12.5
67.01762	3.7
68.29400	2.7
71.01247	5.1
71.04895	14.9
71.58166	3.5
73.02813	3.6
80.02528	3.8
81.03329	7.8
81.18056	2.9
83.01272	19.1
83.04894	14.4
84.02041	8.4
85.02807	4.5
93.03321	5.8
95.04908	54.5
96.95876	3.8
97.02825	8.0
97.06469	25.4
99.04430	3.2
101.02290	3.2
102.20564	2.8
106.04082	4.0
106.58113	2.7
107.04890	5.7
109.02821	4.8
109.06486	9.0
111.04408	6.5
113.05969	20.3
121.02858	5.9
123.04391	6.5
123.08035	9.6
125.05977	4.5
125.09607	32.5
131.03409	3.4
135.08070	22.3
137.06007	4.1
149.09697	3.7
151.07574	6.5
151.11168	4.2
153.09126	4.4
161.05925	2.8
163.11182	10.5
163.82915	2.6
165.12741	5.0
171.10153	13.8
177.12747	3.6
181.12178	4.3
185.11755	24.7
189.12859	3.7
191.10670	4.3
195.10098	3.4
197.09685	2.7
203.14314	6.9
207.10228	7.0
209.09897	6.4
209.11786	100.0
210.12114	3.7
211.13330	6.9
225.11240	3.7
231.13692	5.0
237.15042	13.3
243.17491	7.4
247.13318	9.6
249.14932	8.0
254.39189	3.2
261.18881	4.3
265.14450	18.2
287.16534	13.0
305.17603	39.4
306.18158	3.2
323.15213	3.7
323.18604	60.5
324.18869	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	322.2024
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03334	0.2
58.02848	1.7
59.01237	0.5
70.52905	0.2
71.01266	0.2
71.04893	0.4
81.03343	0.5
82.34620	0.2
83.04910	0.5
95.04913	0.6
97.06474	0.6
109.06499	0.7
125.09698	0.2
128.10715	6.9
129.11064	0.2
130.08641	100.0
131.03346	0.2
131.08990	2.5
135.08009	0.2
165.12766	0.9
172.09711	0.5
178.41931	0.2
209.11768	1.1
210.99756	0.2
221.77664	0.2
230.13164	0.3
279.19583	0.2
305.17575	0.9
322.20242	26.2
323.20822	2.0
331.81659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23234	2.0
58.00463	5.8
59.01251	100.0
60.22648	2.1
69.76304	5.4
69.76717	6.5
71.01256	61.6
72.99164	7.0
83.01265	3.6
85.02827	13.4
87.00742	3.0
87.58929	2.0
89.02314	61.9
92.50470	1.9
98.19880	3.8
101.02319	32.6
113.02332	26.6
116.04942	33.7
119.03384	19.8
121.45190	2.0
143.03323	3.9
160.03951	64.1
161.04369	4.4
179.05649	3.5
195.04436	2.1
202.05055	32.6
232.06085	5.7
262.07199	39.5
272.34235	2.3
322.09326	46.4
323.09561	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	322.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87402	0.5
59.01248	1.2
85.02827	1.1
89.03811	0.6
100.03928	0.8
100.64936	0.5
102.05492	43.2
103.05836	0.8
113.79023	0.5
117.03364	1.6
119.04014	0.5
128.03433	52.3
129.03746	0.9
132.02060	2.3
134.03638	58.1
135.04053	1.0
145.07770	0.6
146.04497	100.0
147.04828	2.2
148.05194	1.7
149.05991	25.8
150.06351	0.8
160.01578	12.2
160.93465	0.5
161.02338	0.5
162.03099	0.9
172.02420	1.8
175.03926	19.9
176.04373	0.8
177.05499	1.0
193.04993	17.6
193.06769	1.0
203.05727	0.6
204.06618	0.8
218.08170	0.9
222.94261	0.5
232.09758	5.1
234.11476	1.1
245.06819	0.6
260.09299	1.7
278.10382	4.6
304.08279	10.2
322.09329	22.3
323.09579	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	321.2437
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
58.05842	0.9
59.01252	1.8
60.65680	1.0
71.01276	2.1
71.02605	1.0
78.95801	5.0
80.96400	3.1
118.67178	0.9
143.08002	1.0
164.07381	1.0
175.99727	0.9
176.44081	1.0
207.17354	2.4
209.15442	1.2
223.17020	14.0
224.17572	2.7
233.15546	1.2
251.16508	15.1
256.16779	4.7
284.16306	4.8
295.88132	1.2
303.23288	10.2
304.23593	1.7
321.24377	100.0
322.24796	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	322.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24992	0.5
59.01246	2.5
61.57786	0.6
69.26565	6.2
71.73975	0.5
73.14045	0.5
76.62003	0.6
82.02869	1.5
84.04484	0.6
89.03865	1.5
97.82399	0.5
98.06002	0.6
100.03947	1.2
102.05490	14.9
104.63777	0.6
117.03338	4.4
121.02836	0.6
123.04369	0.8
128.03429	32.0
132.02065	2.3
134.03636	100.0
135.03868	3.2
137.02301	1.2
143.62207	0.6
145.02849	0.7
146.04500	51.3
147.04797	0.9
148.05185	2.5
149.05989	47.1
150.06319	2.1
151.03955	0.7
160.01575	10.2
161.02312	2.0
161.06029	1.0
162.03111	1.7
172.02440	2.4
175.03923	20.4
176.04251	0.7
177.05495	1.7
189.04150	0.6
192.06618	1.8
193.04993	25.9
194.02158	0.5
194.05417	1.3
202.04816	0.5
204.06554	1.5
205.65749	0.5
217.07306	0.7
218.08284	1.3
232.09776	9.0
234.11392	1.5
245.06926	0.7
260.09241	2.3
269.87878	0.5
278.10349	4.5
297.95578	0.7
300.58612	0.5
304.05402	0.7
304.08273	16.8
311.40103	0.5
322.09314	35.0
323.09683	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	321.0828
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
55.01759	2.4
57.03309	5.2
59.01252	9.5
67.01746	1.7
68.99690	3.2
69.03329	6.4
69.71626	9.7
71.01257	16.9
72.99161	1.7
73.02825	11.6
78.95801	8.4
82.97564	1.6
83.01256	3.9
84.04411	2.2
84.77251	1.7
85.02820	32.2
86.02370	9.2
87.00755	100.0
88.01149	1.9
89.02348	2.5
95.01279	5.2
96.96793	1.8
97.02831	23.9
98.20520	3.3
99.00761	4.6
101.02303	3.7
103.03886	8.0
105.00056	16.9
109.11432	1.9
111.00777	4.3
113.02325	10.2
113.99480	4.3
115.00290	11.3
120.01137	5.4
123.00774	2.3
127.08666	3.5
128.03435	32.2
128.07068	3.9
129.01822	4.0
132.92477	1.7
141.01826	5.8
157.01309	6.7
161.20248	1.7
171.07713	10.3
174.01653	3.5
175.02391	27.2
191.53131	1.7
192.03278	3.1
215.06529	2.9
217.03511	12.3
223.59727	1.9
249.05519	5.1
261.06229	3.3
264.84198	1.7
321.08282	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	321.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05628	3.5
59.01258	6.3
69.03313	5.0
69.24855	2.7
69.76118	3.0
70.26924	14.3
71.01244	14.8
73.02818	16.1
74.75215	2.8
78.05577	2.9
85.02824	35.4
87.00756	100.0
95.01286	6.2
97.02843	19.6
101.68121	3.4
103.03904	10.5
111.45543	2.6
113.02361	8.8
114.17137	3.0
115.00251	9.8
120.40949	2.9
124.93225	3.1
135.49216	2.8
142.33882	3.0
157.01331	9.6
175.02420	36.0
186.53035	3.0
192.28395	3.4
217.03510	22.2
234.71365	3.3
300.21332	3.4
313.83716	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	319.2279
Annotation	19S-HETE
Peak:m/z	Relative Intensity
68.03735	0.5
68.10082	0.5
69.03323	2.0
73.15888	0.4
74.47768	0.4
145.02776	0.5
227.05119	0.4
229.24168	0.4
305.37680	0.5
319.22794	100.0
320.23093	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	319.2279
Annotation	15(R)-HETE
Peak:m/z	Relative Intensity
55.42364	2.2
55.86685	2.6
57.03331	6.5
59.01263	22.2
68.33794	1.8
71.04905	5.1
73.02841	5.0
73.03214	2.7
75.84087	1.9
86.82190	2.2
113.09602	6.0
121.10180	2.6
145.02858	4.8
145.79457	1.9
163.03970	2.3
171.96536	2.3
173.04803	2.0
175.14865	11.5
191.69223	2.2
203.18102	2.6
219.13872	14.8
244.07590	2.5
257.22809	8.1
263.24033	2.6
275.23749	2.8
291.23154	3.6
301.21738	14.1
303.19788	2.3
319.22806	100.0
320.23096	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	321.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.3
57.03328	3.6
59.01255	4.8
69.03325	7.4
70.23710	5.4
71.01257	13.7
72.99161	1.6
72.99595	1.1
73.02826	12.0
76.90615	1.4
83.01289	1.7
85.02824	26.8
87.00752	100.0
95.01262	3.6
97.02826	23.0
102.66988	1.2
103.03879	9.5
104.16645	1.2
111.92581	1.3
113.02324	8.3
115.00269	9.5
128.07043	1.3
129.01837	1.1
132.34895	1.4
141.10345	1.3
157.01369	8.2
170.95555	1.2
175.02408	40.6
217.03487	19.9
303.07004	1.8
321.08154	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	319.0823
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
51.00244	0.6
56.65734	0.4
57.03329	0.9
59.01250	1.2
67.01767	2.1
69.03340	0.7
69.62053	0.8
69.62463	2.9
71.01254	3.1
74.64928	0.5
78.43798	0.5
81.03347	1.7
83.04903	1.7
85.02820	0.7
87.00763	1.3
93.03336	17.8
94.03703	0.5
95.95628	0.5
97.02837	1.2
109.02850	1.1
111.00721	0.8
111.04412	5.3
117.03353	35.0
118.03701	1.6
118.90718	0.5
119.04920	65.5
120.05232	2.4
121.02852	1.4
127.03931	0.8
127.54063	0.6
137.02344	1.1
139.03918	1.1
144.29205	0.5
145.02864	100.0
146.03203	4.2
155.03378	3.1
163.03926	36.6
164.04250	1.7
173.04483	57.5
174.04848	1.5
183.02902	1.1
294.78882	0.7
319.08240	35.1
320.08548	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	319.1914
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
59.01258	3.4
65.03830	1.9
65.33215	1.5
69.03329	9.2
71.04895	100.0
71.58028	2.4
72.05222	2.0
80.02542	2.6
81.03339	6.5
82.53681	1.8
83.04926	1.9
85.45829	1.8
93.03329	2.5
95.01272	9.9
95.04906	5.6
97.02837	9.0
97.06476	2.5
107.04910	5.1
108.02093	3.5
109.02849	4.6
109.06490	4.3
109.08385	1.8
110.03600	2.0
111.04436	2.1
111.08003	2.5
119.04907	7.8
121.06495	11.2
122.03573	2.3
123.04396	1.6
123.08033	1.9
127.41252	1.6
133.06456	2.1
135.04527	1.9
135.08125	2.0
136.05209	8.0
145.02858	2.4
147.04440	4.5
153.16792	1.6
161.06007	2.2
162.06744	2.2
175.07446	2.4
175.11247	2.8
176.08348	3.6
177.12737	4.9
187.14912	2.4
189.09148	1.8
203.14323	3.3
215.10674	3.9
231.13821	13.5
243.17549	10.1
247.13365	7.7
259.17029	4.7
263.16519	16.7
275.20087	3.5
287.16534	30.5
290.15308	2.7
291.19623	2.0
301.18195	2.5
304.16931	2.3
319.08344	1.9
319.19156	61.9
319.22650	5.1
320.19470	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	319.0822
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
52.65600	0.3
56.73653	0.3
57.03317	0.9
59.01246	1.1
67.01770	1.7
69.03320	0.6
69.71334	0.3
71.01252	3.4
79.59142	0.3
81.03336	1.7
83.04889	1.8
85.02821	0.6
87.00739	1.4
93.03339	17.1
94.03684	0.3
95.94118	0.2
96.68787	0.2
98.19759	0.6
99.00762	0.9
109.01540	0.4
109.02844	1.2
110.02352	0.3
111.00761	0.9
111.04407	5.1
116.04963	0.4
117.03349	31.9
118.03696	0.9
119.04917	62.2
120.05265	2.1
121.02837	1.0
123.04465	0.3
127.03931	0.7
133.02805	0.4
137.02330	2.1
145.02855	100.0
146.03185	4.3
155.03401	4.7
155.95363	0.3
159.11833	0.3
163.03918	40.2
164.04257	1.6
165.05507	0.4
173.04469	58.4
174.04787	1.7
183.02887	0.3
229.41951	0.4
254.66507	0.3
319.08209	51.7
320.08566	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	319.0824
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
57.03316	1.0
59.01254	2.0
67.01763	2.7
69.03323	0.6
69.46987	1.9
71.01255	3.6
73.02823	0.3
81.03339	1.6
83.01264	0.3
83.04903	2.1
85.02824	1.0
87.00754	1.0
89.02331	0.3
93.03336	18.8
94.03667	0.6
95.01278	0.3
97.02841	0.3
99.00755	0.7
99.04370	0.4
103.58575	0.2
108.02099	0.2
109.02825	1.1
111.00741	0.9
111.04399	5.0
111.39939	0.3
117.03352	34.6
118.03677	1.4
119.04919	64.1
120.05252	2.5
121.02874	1.2
123.04408	0.2
125.02361	1.4
127.03893	0.8
129.01817	0.5
133.02823	0.5
137.02339	1.9
145.02856	100.0
146.03194	3.5
147.04443	0.2
155.03409	4.2
161.54477	0.3
162.03008	0.2
163.03920	48.3
164.01050	0.3
164.04263	1.7
165.01837	0.6
165.05482	0.5
173.04471	70.8
174.04832	2.2
197.04495	0.4
319.08215	62.9
320.08527	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	317.2123
Annotation	4-epi-Abieta-8,11,13-triene-7alpha,15,18-triol
Peak:m/z	Relative Intensity
59.01257	5.5
71.57969	5.9
83.95496	4.0
95.04902	6.4
97.06474	24.3
109.06509	5.2
119.04945	10.1
121.06510	11.4
122.31499	4.5
123.08053	31.1
130.04066	5.0
131.04932	100.0
132.05748	46.7
133.06482	51.3
134.06905	4.4
135.08046	18.7
144.21762	3.8
151.07492	6.5
152.99457	6.1
161.09662	5.2
163.03889	7.8
163.11220	10.7
164.04724	19.4
173.09688	9.2
175.11185	33.0
191.10736	8.4
191.26001	4.5
246.40445	4.1
251.06448	4.3
255.04791	3.9
255.23302	4.2
269.18988	19.0
271.20682	11.4
281.19125	13.1
287.20157	20.8
299.20209	59.4
317.21182	48.8
318.21588	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	319.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99018	1.0
55.01760	2.4
59.01260	1.8
67.01759	1.0
69.03320	1.7
69.50433	3.9
69.50856	5.0
71.04900	11.3
75.00720	1.2
93.03330	8.3
95.04909	23.6
97.02833	36.3
109.02838	19.1
111.04385	2.1
115.03915	6.6
117.03347	12.8
119.04918	22.4
119.05741	1.8
121.02802	2.0
137.02324	2.4
139.03912	75.4
140.04228	1.6
145.02856	41.5
146.03125	1.5
153.01848	23.3
154.85991	1.3
155.03519	1.7
163.03915	17.4
165.01819	10.3
167.08067	1.1
173.04471	25.9
183.02917	100.0
184.03230	3.5
191.70964	1.2
201.11101	1.3
218.77556	1.1
235.12541	1.0
250.81433	1.1
257.50372	1.1
319.08206	23.7
320.08667	2.5
344.69757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.212
Annotation	11-oxo-ETE
Peak:m/z	Relative Intensity
59.01234	1.0
69.03327	0.8
71.04884	2.4
71.57965	0.9
71.97134	0.6
83.04912	1.3
93.03328	2.7
95.04903	7.7
97.06500	1.2
107.04934	1.1
119.04910	1.8
121.02840	2.9
121.06481	2.7
123.08106	1.1
131.04930	2.0
139.50938	0.7
147.04414	1.8
147.08047	2.5
149.05969	3.1
149.09647	1.9
151.11169	3.6
154.36504	0.7
163.11179	1.2
219.17453	3.1
227.14290	0.8
242.11523	0.8
243.17488	3.5
245.19072	1.2
247.16876	0.8
269.15607	2.3
269.19125	6.0
271.20682	10.3
273.18481	1.7
281.19083	1.4
285.18442	1.1
287.20163	29.0
288.20502	1.6
289.21750	54.6
290.22034	3.3
299.20172	43.3
300.20645	4.7
302.15366	1.8
302.18478	0.9
317.21210	100.0
318.21524	9.2
333.20752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21718	0.9
55.01745	1.4
57.03315	2.2
59.01251	9.1
65.00183	1.0
69.03323	1.2
69.33522	9.8
69.33872	1.0
69.65074	1.0
71.01249	3.6
71.04884	6.7
83.04903	1.8
86.15166	1.0
88.18551	1.0
89.02328	1.3
91.03876	2.8
97.02840	7.8
97.06455	3.4
98.19743	1.6
99.00756	27.7
107.01313	1.8
109.02845	3.5
109.06485	2.7
110.03641	2.0
123.04404	1.1
123.08060	2.4
125.02280	1.4
125.09599	11.3
127.11181	3.4
135.08026	1.4
137.02341	1.1
138.09093	1.3
139.02054	0.9
142.02635	3.0
143.97231	1.0
151.00275	3.5
151.58983	0.9
153.12717	1.6
155.14357	1.4
155.71390	0.8
159.04459	0.9
163.11194	16.7
178.99741	1.0
181.12265	50.1
182.12607	2.5
197.11812	2.4
199.10593	1.0
199.13341	51.6
200.13643	3.0
207.10208	52.0
208.10509	3.4
209.13719	1.4
225.11276	100.0
226.11530	5.0
243.12352	92.9
243.14980	1.8
244.12637	4.6
271.02393	1.6
317.03027	2.1
317.06287	2.2
317.16055	59.9
318.16537	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	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.8
59.01257	12.2
69.03322	1.8
69.47050	3.2
69.47450	5.6
69.68793	1.0
71.01247	6.8
71.04896	4.2
73.02854	1.1
80.96397	1.7
81.03372	1.0
87.00733	1.2
89.02325	3.0
91.03888	3.7
95.01303	1.5
97.02821	5.3
97.06461	2.8
99.00164	1.9
99.00764	24.2
109.02807	4.2
109.06446	1.3
113.02341	1.4
123.04460	1.3
124.01512	1.0
125.02309	1.9
125.09625	9.9
127.11183	1.5
127.58222	1.0
137.02341	2.0
142.02641	1.8
146.02463	1.1
146.61948	1.1
149.02267	1.2
149.46875	1.1
151.00285	3.8
155.10683	3.0
155.14305	1.4
161.02435	1.2
163.00282	1.3
163.11224	8.2
164.11610	1.0
165.12529	1.0
167.10689	1.0
178.99797	1.8
181.12262	21.2
197.11761	3.1
199.09613	3.3
199.13354	79.0
200.13710	4.0
207.10217	36.7
208.10574	2.1
225.11285	100.0
226.11604	6.3
227.03365	1.4
243.12367	50.4
244.12665	3.0
255.03090	1.2
267.07205	1.5
273.04071	2.2
284.03510	1.0
299.14972	3.1
317.02948	3.0
317.06482	5.1
317.16055	81.6
318.16309	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	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.5
58.43125	1.1
59.01248	7.4
69.86079	1.1
70.70231	1.1
71.01263	5.6
71.04885	5.9
71.57469	1.4
71.57887	1.6
89.02358	1.4
91.03886	2.6
92.30173	1.2
95.01279	1.5
97.02825	3.8
97.06485	4.6
99.00765	26.7
107.01276	1.9
108.56908	1.1
109.02839	3.4
109.06475	2.0
110.03604	1.3
111.00736	1.5
123.08041	1.6
125.09632	7.9
127.11137	3.8
135.08070	1.5
142.02664	1.5
148.11205	1.2
151.00357	2.6
153.12762	3.0
163.00343	2.2
163.11200	15.1
178.99828	2.0
179.10764	1.5
181.12273	34.2
182.12608	1.7
184.76750	1.3
190.99907	1.7
193.65062	1.4
197.11807	3.1
199.13335	68.8
200.13673	3.2
207.10202	43.9
208.10524	3.1
225.11284	100.0
226.11674	6.3
243.12360	70.1
244.12692	2.9
285.83572	1.4
307.60947	1.3
317.03012	2.7
317.06357	1.8
317.16071	65.2
318.16302	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	317.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.7
63.96115	0.5
69.03325	0.7
71.01258	6.2
71.49768	0.2
72.99158	0.4
73.02827	1.2
78.98463	4.5
79.95184	0.3
79.95606	7.1
80.96394	61.0
81.03347	0.7
85.02825	2.7
87.00756	2.6
91.36578	0.3
92.61172	0.3
94.97964	12.0
95.01286	0.5
96.95956	0.6
96.96854	0.4
97.02840	1.4
98.20513	0.5
99.00719	0.6
101.02325	1.9
106.97955	2.8
108.53684	0.3
113.02339	0.5
122.97455	2.6
125.02337	2.3
127.03899	0.9
134.97488	4.6
136.99036	1.1
146.97438	0.5
148.99057	5.6
152.98544	4.6
164.98549	9.5
165.98984	0.3
167.00081	0.4
188.98538	0.3
206.99570	1.9
225.00706	13.7
226.00999	0.3
239.11827	0.3
317.05469	100.0
318.05780	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	317.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30556	1.0
52.98639	1.1
53.93136	0.9
57.03317	4.1
61.24165	1.0
67.05401	9.4
69.03331	11.6
69.89137	5.5
71.01283	1.1
85.39642	1.3
97.62077	1.1
98.19946	1.3
100.39046	1.6
100.63651	1.1
111.04403	55.8
112.04728	1.2
119.08547	1.8
125.09647	7.4
135.02917	2.0
151.21791	1.2
169.08640	2.2
181.08626	26.4
182.08931	1.0
199.09694	100.0
200.09987	3.3
260.20477	1.1
264.76630	1.1
317.12393	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.254
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
58.00467	0.9
59.01251	2.0
60.01596	0.4
64.34506	0.4
69.87376	1.7
71.01257	1.3
85.02839	0.4
89.02315	0.6
125.09608	1.1
127.11193	2.9
139.11234	0.5
141.12759	4.9
142.67305	0.3
143.10661	1.5
152.01042	0.4
155.10698	1.5
157.12242	0.6
165.09163	0.5
169.12318	0.5
171.10179	3.9
171.13826	1.5
201.11172	1.8
223.73695	0.3
239.24002	0.5
243.03058	0.4
255.02859	0.4
267.23254	0.4
273.23550	0.4
279.23257	2.7
283.22787	0.4
295.22781	1.3
297.24359	6.5
298.24649	0.7
300.02655	1.0
311.22198	0.6
313.23816	9.9
314.24374	0.8
315.25400	100.0
316.25748	7.7
328.19315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72067	0.7
55.01751	5.4
57.03331	5.2
58.00477	5.7
59.01255	84.8
60.01601	0.8
65.00179	0.7
69.03328	2.5
71.01258	100.0
71.57590	1.2
72.99183	4.7
73.02820	12.6
75.00748	1.0
83.01260	8.5
85.02831	30.9
87.00744	1.1
89.02322	59.9
99.00755	6.2
101.02324	8.6
107.01228	0.9
108.02039	1.0
113.02329	6.2
114.72610	0.8
121.10123	16.8
129.94595	0.9
131.03404	13.2
149.04440	4.1
151.00310	3.6
152.00998	1.1
154.94293	0.8
165.09113	9.3
167.10675	1.3
178.99815	1.8
183.10147	3.1
196.22873	0.8
202.05064	0.8
243.02777	1.0
259.02475	1.0
287.01907	2.1
315.01453	2.7
315.14520	30.7
316.14771	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.0
57.03323	4.8
58.00462	3.4
59.01253	65.2
65.36471	0.8
69.03314	1.4
69.64429	1.9
69.64829	4.4
71.01256	100.0
71.34024	0.7
72.01601	0.8
72.99184	2.8
73.02821	13.5
76.27229	0.7
80.46394	0.8
83.01266	7.8
83.12568	0.7
85.02826	34.7
87.00751	1.5
88.47356	0.8
89.02320	65.7
91.60113	0.8
98.55948	0.7
99.00233	1.0
99.00773	8.2
101.02328	10.0
107.40913	0.7
108.02009	0.9
113.02337	9.0
119.03373	1.1
121.10125	17.6
122.10479	0.8
131.02473	1.1
131.03410	17.3
139.11157	0.8
149.04453	5.7
165.09161	6.6
169.01340	1.1
171.58904	0.7
183.10161	3.7
184.82253	0.8
193.75473	0.8
273.51199	0.9
315.14481	47.8
316.14777	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	315.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37738	0.3
55.01758	0.5
57.03332	1.1
58.00451	0.5
59.01253	6.6
60.51626	0.4
62.17486	0.4
65.00195	0.5
66.13669	0.3
67.01772	0.6
69.03331	3.6
71.01257	5.0
71.04891	2.4
71.57928	0.5
72.99174	0.6
73.02824	0.6
83.01273	0.7
83.04895	0.4
85.02827	1.3
89.02313	3.1
91.03888	1.7
95.01302	0.4
97.02876	0.5
97.06467	0.6
99.00751	0.7
100.93241	0.4
101.02321	0.6
107.01274	0.8
108.02055	1.7
109.02814	0.6
121.10135	0.4
123.08076	0.6
125.02353	0.4
125.09629	2.5
127.59681	0.4
131.03342	0.5
137.09564	0.6
151.00269	2.3
151.11182	2.0
152.01045	0.7
153.01814	0.9
153.12772	2.2
161.09663	3.4
163.00221	0.5
165.09166	0.5
171.04414	0.5
178.99796	1.2
179.10698	14.5
180.10992	0.7
189.01788	0.4
197.11771	100.0
198.12132	4.5
222.54836	0.4
223.09688	2.7
241.10800	17.3
241.14360	1.8
242.11131	1.1
243.02921	0.9
255.02940	0.6
259.02411	0.6
271.02524	1.6
287.02081	1.0
300.02774	1.7
315.01776	1.8
315.14490	34.4
316.14951	2.5
318.90744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41787	1.5
57.03326	3.0
59.01254	1.8
67.05407	6.8
69.03329	12.5
69.24205	14.8
71.01257	24.0
83.04826	1.5
97.23026	1.4
97.91756	1.3
100.14413	1.4
108.02038	2.9
111.04408	52.9
112.04675	1.6
115.00251	20.2
119.08591	1.5
121.32285	1.4
125.09612	5.5
129.26205	1.7
133.01282	2.3
152.01045	1.6
152.30795	1.6
153.01810	2.0
155.10583	1.3
165.40511	1.3
169.08569	3.6
181.08633	20.6
189.00755	1.5
197.04469	2.8
199.09689	100.0
200.10062	4.8
206.72981	1.5
246.33911	1.5
271.10873	2.4
315.07333	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	315.0876
Annotation	3,5,7-Trihydroxy-4'-methoxy-6-methylflavanone
Peak:m/z	Relative Intensity
59.01250	4.2
65.00199	11.3
66.00968	1.3
68.99694	1.5
71.01254	5.9
83.01208	1.2
85.02831	1.9
89.02331	2.5
94.47586	1.1
95.01264	2.7
98.19816	2.0
108.01980	1.3
121.02856	2.6
121.10085	1.2
123.00777	17.9
124.01583	2.0
131.03358	1.3
133.02858	3.0
134.03644	50.5
135.04424	100.0
136.04753	4.4
149.02327	1.8
149.05992	26.4
149.99498	46.0
150.06364	1.7
151.00214	3.6
152.01047	3.4
153.01898	1.2
163.00281	2.7
164.01065	1.1
165.01825	3.0
168.00591	1.5
169.01378	2.5
183.02919	15.3
200.95282	1.1
210.01636	1.5
211.04002	1.1
213.05571	1.1
218.74452	1.0
227.03613	1.2
229.05072	1.0
239.03572	3.1
241.04982	2.0
248.35399	1.0
253.05049	1.8
255.02943	1.8
257.04565	2.0
262.59995	1.1
267.03085	6.8
270.05444	1.2
271.02478	2.0
282.05319	16.4
283.05762	1.9
285.04056	31.1
286.04572	1.6
297.07687	12.3
299.05408	1.0
300.03085	3.6
300.06384	99.8
301.06717	9.0
315.08755	74.4
316.09195	7.0
336.83936	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03339	0.3
57.71976	0.2
59.01267	0.6
68.80534	0.2
69.03339	0.3
69.90328	1.0
69.90739	0.7
71.01268	2.0
73.02818	0.7
78.82811	0.3
79.01768	0.3
81.03336	1.1
83.01276	0.5
85.02833	1.9
92.15633	0.2
93.03356	0.8
95.01292	1.3
101.02348	0.8
108.02064	100.0
108.16256	0.3
109.02862	37.9
110.03201	0.9
113.02352	0.8
116.38344	0.3
121.02834	0.9
123.00761	1.0
123.04434	0.7
133.02869	0.7
134.03653	0.3
135.00829	0.6
135.04448	0.5
151.03955	1.0
152.01074	63.0
153.01863	22.0
154.02164	0.4
163.03912	0.9
165.01823	0.4
246.81627	0.3
315.07242	14.6
316.07693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03326	0.2
57.09034	0.2
59.01247	0.3
69.03331	0.3
71.01260	1.9
71.33401	0.4
73.02818	0.8
78.17978	0.2
83.01279	0.3
84.77267	0.2
85.02830	1.5
95.01247	0.9
101.02325	0.9
102.05958	0.2
108.02055	36.2
109.02855	14.2
110.03139	0.3
113.02376	1.2
120.66528	0.2
121.02834	0.7
123.00766	0.9
123.04369	0.5
123.08678	0.2
125.02292	0.3
125.62621	0.2
133.02777	0.4
139.76591	0.2
151.03905	2.6
152.01071	48.6
153.01857	31.6
153.02869	0.3
154.02200	0.9
163.03926	1.3
165.01881	2.7
177.01840	0.3
181.05000	0.5
192.35529	0.2
195.02985	0.4
200.10941	0.2
207.02940	0.5
225.04039	0.7
241.04198	0.2
315.07220	100.0
316.03873	0.4
316.07556	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98114	0.6
55.43695	0.6
57.39782	0.6
70.03249	3.4
71.01263	1.9
81.03323	1.0
85.02825	1.0
93.03397	0.9
95.01256	1.6
105.27849	0.5
108.02055	100.0
109.02857	27.4
110.03190	1.0
114.89436	0.6
115.20027	0.7
121.02809	1.0
122.03672	0.6
123.00764	0.6
123.04440	0.9
151.03885	1.2
152.01064	44.6
153.01843	17.7
154.02151	0.7
165.01817	0.9
203.72208	0.6
225.04008	0.8
283.08545	0.7
315.07220	44.9
316.07584	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	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
62.32193	0.3
69.03325	3.1
69.48658	1.1
69.49079	2.4
69.52748	0.4
71.01250	0.5
79.01805	0.4
81.03343	0.9
83.01255	1.2
95.01252	0.9
97.02834	2.9
107.01280	1.3
108.02048	0.5
109.02834	0.6
111.04426	0.5
123.00777	4.1
124.01564	15.9
125.02345	63.0
126.02665	1.3
129.98816	0.4
130.08682	0.7
143.11757	0.6
149.99495	30.6
151.00204	2.2
153.01859	1.2
168.00565	68.3
169.01324	4.7
208.44086	0.4
219.06047	0.4
297.06161	8.6
298.06458	0.6
315.07224	100.0
316.07510	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	315.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	1.5
60.98027	0.4
71.01234	2.0
85.02773	1.0
89.02298	1.0
89.23512	0.5
96.66737	0.5
98.99935	0.5
108.02008	0.7
109.02791	0.6
109.07187	0.5
117.03329	0.7
121.02824	0.5
121.10103	0.6
127.05270	0.7
131.04810	0.7
133.06607	0.5
136.85399	0.5
139.05383	1.4
143.04930	1.2
155.04869	2.2
157.02832	2.3
157.03981	0.6
159.04416	1.9
164.00964	0.5
167.04886	1.1
169.02773	1.1
171.04414	3.9
182.03593	2.3
183.02762	0.8
183.04446	13.1
184.04745	1.0
185.02374	2.6
187.03918	3.3
193.43327	0.5
195.04427	0.7
198.03215	0.7
199.03908	4.8
200.04311	0.6
209.02338	0.7
211.03973	12.3
212.04308	0.7
213.01840	2.4
215.03455	2.2
219.48465	0.5
226.02606	1.5
227.03452	45.5
228.03877	2.8
229.24376	0.7
237.01823	1.6
238.02750	1.0
239.03481	3.2
243.03000	1.6
254.02232	1.1
255.02986	54.8
256.03360	3.0
266.02271	1.6
271.02484	10.4
271.10910	0.8
272.02872	1.1
283.02490	100.0
284.02835	7.3
300.02762	18.5
301.03214	1.7
315.05109	20.6
315.21655	1.0
316.05444	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	315.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00204	0.4
71.01226	0.2
81.35206	0.2
83.01270	0.2
91.01757	0.2
107.01258	1.1
107.04884	0.2
108.02059	2.3
120.02068	0.2
123.00761	0.2
124.01569	0.3
125.34272	0.2
134.03639	0.8
135.00835	1.2
135.04420	25.6
136.04750	0.8
148.01572	3.0
149.02168	0.2
151.00275	1.4
152.00940	0.3
162.99127	0.2
163.00270	1.0
164.01054	1.1
183.04504	0.3
187.03877	0.5
192.00557	0.5
198.03116	0.4
199.03970	1.3
200.04512	0.2
201.01918	0.5
203.03409	0.2
211.03967	0.7
213.01797	0.2
215.03447	1.2
216.04193	0.7
226.02669	1.8
227.03467	3.4
228.03999	0.2
229.01387	0.4
243.02966	13.6
244.03418	1.3
254.02174	2.2
255.02979	28.3
256.03336	1.8
271.02481	62.7
272.02921	5.6
277.68372	0.2
297.07385	0.2
299.02029	1.8
300.02750	100.0
301.03110	7.0
315.05145	39.6
315.08685	3.8
316.05508	3.0
316.08884	0.3
317.10452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07194	0.2
59.01268	0.6
59.70092	0.3
60.70968	0.3
63.02293	0.4
65.00191	0.6
70.10522	0.3
70.15145	1.4
70.77037	0.3
71.01279	0.4
71.24480	0.3
78.26682	0.3
83.01284	0.4
89.02354	0.4
93.02477	0.3
93.03366	0.3
95.01265	0.3
107.01281	1.4
108.02055	3.0
108.66131	0.3
109.02850	0.5
118.56631	0.3
120.02109	0.3
121.02863	0.4
123.00813	0.5
124.01598	0.5
135.00780	0.8
139.00273	0.5
145.02979	0.3
148.01569	2.6
149.02356	0.7
149.99513	0.7
150.03162	0.3
151.00256	2.0
152.01103	0.5
153.01897	0.5
163.00287	1.1
164.01128	1.1
165.01897	0.4
165.99036	0.5
166.99883	0.3
171.04449	0.5
178.99757	0.7
183.04497	0.6
187.03972	0.5
192.00551	0.4
193.01259	0.5
193.98468	0.4
194.99318	0.6
197.11739	0.9
198.03178	0.5
199.03987	1.3
201.01888	0.8
202.02617	0.3
203.03474	0.4
211.03938	0.9
215.03450	1.3
226.02693	1.6
227.03462	3.3
228.03886	0.3
229.01382	0.3
241.14465	0.4
243.00456	0.7
243.02951	12.8
244.03458	1.1
254.02153	1.5
255.02963	24.8
256.03314	1.9
259.02426	0.4
271.02469	61.2
272.02866	5.6
287.01929	1.2
299.01987	1.6
300.02737	100.0
301.03110	6.4
315.05072	36.5
316.02078	0.6
316.05429	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	315.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45640	1.5
55.01739	2.0
55.75774	1.8
57.03319	2.6
59.01257	19.3
61.19038	1.9
63.02261	9.1
65.00198	25.4
67.01759	2.2
71.01248	21.9
83.01260	13.9
85.02824	6.2
89.02316	13.2
91.01769	3.4
93.03393	3.2
95.01252	5.9
96.99184	2.4
99.00767	2.4
107.01276	31.1
107.96649	1.9
109.02873	9.1
110.00005	9.5
111.00787	3.7
113.02348	2.3
115.05335	2.0
117.03327	5.8
119.01263	2.6
119.04953	2.6
121.02855	7.8
121.10131	4.5
123.00755	8.3
125.02316	6.8
129.03316	2.6
131.03407	2.8
131.04889	4.1
133.02841	7.7
135.00781	17.0
136.98700	2.5
137.02396	2.0
137.99472	1.7
139.00267	6.8
139.03897	7.3
141.03319	2.3
141.31107	1.6
143.04932	13.9
145.02821	8.5
147.00717	2.5
147.04398	8.0
149.02373	14.3
149.99503	4.6
151.00281	96.1
152.00935	3.7
153.01822	2.7
155.04929	1.8
157.02855	4.5
159.04446	14.5
161.02339	8.5
163.00250	15.1
163.03906	4.0
164.01079	3.7
164.98203	5.7
165.01785	2.3
165.09064	2.2
165.99020	4.5
169.01341	3.5
169.02838	2.9
171.04437	13.8
173.02353	7.6
174.03113	3.1
175.00337	4.5
175.03883	8.7
177.01842	8.4
177.99014	3.1
178.99782	44.3
183.04573	2.2
185.02292	2.5
185.09836	2.1
187.03958	21.3
189.01878	10.9
191.03340	2.9
197.02359	2.8
199.03964	8.9
201.01956	10.1
202.02635	3.3
202.99956	1.8
203.03426	14.1
213.01901	3.2
214.02589	4.3
215.03456	31.4
217.01324	7.4
219.02945	6.3
225.02063	2.3
227.03287	3.8
229.01384	5.4
230.02167	2.1
231.02994	14.7
241.01335	3.4
243.02950	29.3
245.00900	5.7
247.02463	2.3
257.01096	2.0
258.01666	5.0
259.02444	31.0
269.01016	2.2
271.02481	19.5
287.01974	75.6
288.02362	4.3
315.01462	100.0
315.14340	9.8
316.02078	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	315.0146
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
56.07944	2.0
59.01236	7.2
61.77042	1.7
63.02269	9.5
65.00191	20.0
69.90565	9.1
69.90979	3.0
71.01237	7.5
79.01761	2.0
81.03313	2.1
82.43731	1.9
83.01244	9.0
86.73498	1.9
89.02328	4.2
91.01789	4.8
93.03302	2.9
93.03842	1.8
95.01262	5.0
95.14671	2.1
104.28075	1.7
107.01275	23.3
109.02854	3.3
109.99993	7.5
111.00733	2.7
115.05458	2.1
117.03326	3.2
119.01263	3.1
119.03250	2.0
121.02801	4.9
123.00739	5.2
125.02332	3.6
126.01708	1.8
131.04907	2.7
133.02841	4.7
135.00755	7.9
139.03896	7.4
143.04942	7.4
145.02855	6.2
147.04407	5.1
149.02319	9.1
149.99480	1.8
151.00278	62.7
152.00908	3.1
159.04442	11.9
161.02367	8.4
163.00276	11.9
163.03894	2.7
164.98175	2.9
165.98936	4.3
166.99811	2.4
169.01414	2.3
171.04393	5.6
173.02335	5.8
175.00233	2.8
175.03859	6.0
177.01839	5.9
178.99777	37.6
185.02388	3.7
187.03925	10.9
189.01871	6.8
199.03911	8.6
201.01845	5.1
203.03444	9.6
213.02022	4.4
214.02505	3.7
215.03461	24.0
217.01378	3.6
217.03415	2.2
219.02881	4.3
229.01358	5.4
231.02898	10.2
242.02118	3.5
243.02948	21.7
245.00761	3.7
258.01624	1.9
259.02454	19.4
271.02396	20.0
287.01965	54.7
288.02222	2.3
315.01456	100.0
315.14438	3.4
316.01987	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	313.2386
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
58.97976	0.4
59.01255	100.0
59.65384	0.4
60.01585	0.8
69.66119	3.1
93.36269	0.5
98.19794	1.1
101.69772	0.5
108.00964	0.5
121.02846	0.7
172.39253	0.6
199.14319	0.6
225.22339	0.9
253.21774	4.9
254.22202	0.9
271.22794	38.2
272.23141	2.5
313.03589	0.7
313.11606	0.6
313.23874	14.4
314.24319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.00465	2.6
59.01249	1.2
71.01250	0.7
89.02357	0.7
97.06480	0.8
99.08043	22.5
101.09576	0.5
101.89540	0.5
111.08071	0.6
113.09605	0.9
121.02889	0.5
127.07568	2.9
127.60149	0.5
128.07823	0.5
129.09116	22.8
130.09506	0.7
136.08598	0.5
183.13850	41.1
184.14198	2.3
195.13914	3.9
269.19046	0.7
277.21689	3.5
282.69351	0.5
295.22794	9.3
296.23297	0.8
313.03503	1.0
313.23874	100.0
314.24234	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81833	1.1
59.01245	3.2
66.72003	1.2
71.57576	2.3
79.16837	1.1
83.14512	1.1
89.02341	1.5
93.03342	6.7
101.82828	1.2
117.06947	1.3
143.82788	1.2
145.06477	1.6
147.04460	1.6
149.35539	1.3
245.19048	1.5
247.09560	1.6
267.17615	5.5
269.19174	21.5
313.03656	2.7
313.18039	100.0
313.23401	8.0
314.18283	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.0
58.56269	0.4
59.01247	4.8
65.00212	0.4
71.01257	0.9
71.57797	0.9
72.99209	0.7
83.04900	1.2
89.02322	0.9
91.03892	1.8
95.04942	0.9
97.06477	1.1
106.04121	0.8
107.04890	1.0
121.02843	11.0
121.10130	0.7
125.02319	0.6
151.00327	0.5
159.11700	1.4
161.02203	0.4
175.11153	0.9
177.12776	27.5
178.13115	1.4
181.06398	0.4
186.89803	0.4
195.13843	100.0
196.14153	5.6
203.10725	2.5
214.02689	0.5
215.12857	0.7
221.11761	9.9
221.13774	0.8
222.11967	0.6
225.05534	0.8
239.12862	23.4
240.13202	1.4
241.01378	2.2
242.02205	0.8
245.00923	1.3
270.01678	2.8
272.51193	0.5
285.04059	0.9
295.02682	0.6
298.01105	1.0
313.03671	7.6
313.07104	1.3
313.16547	22.7
314.03857	1.0
314.17023	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	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.9
65.00188	0.9
71.57182	1.1
72.30117	0.6
83.01228	1.3
89.02310	0.8
91.01755	1.0
98.78758	0.8
107.01280	1.3
108.02071	0.9
119.01266	1.6
123.00753	1.3
123.04366	0.9
125.02312	2.4
132.02077	3.5
133.02852	70.9
134.03687	9.4
135.00764	2.2
135.04398	1.1
145.02806	0.7
147.00784	3.7
147.08020	0.7
148.01691	0.7
149.02228	0.6
151.00201	2.6
161.02286	2.8
163.00258	5.2
170.23918	0.6
171.04466	0.7
183.04419	1.0
187.00212	0.8
199.03853	1.8
201.86497	0.7
211.03880	2.1
213.05434	0.8
221.11792	2.4
224.04529	0.8
225.05534	1.4
226.02618	1.5
227.03487	12.2
228.03658	0.8
239.03535	1.2
239.12849	1.7
240.04330	0.8
241.04979	1.9
251.03447	1.9
252.04155	1.2
253.05037	1.5
255.02997	12.4
256.03229	0.7
268.03659	3.4
269.04550	15.7
270.01892	0.9
270.05090	2.2
280.03833	3.8
281.04413	1.9
283.02484	36.3
284.02747	3.0
295.02487	3.6
297.04041	25.2
298.04794	30.4
299.05066	2.5
313.03488	21.9
313.07095	100.0
314.03815	2.0
314.07446	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09081	0.5
70.14116	1.9
82.68176	0.4
89.02374	0.4
95.65359	0.5
98.03690	0.4
99.08064	1.1
101.34093	0.4
107.01282	0.6
107.28850	0.5
121.02884	0.9
129.09111	0.8
151.00229	0.6
165.28688	0.5
171.10085	0.5
183.13858	1.5
196.68805	0.5
227.03661	0.5
241.01500	0.5
245.19017	0.7
255.02995	96.8
256.03296	7.0
270.02603	0.7
270.05389	6.6
283.02509	37.2
284.02884	2.4
294.21600	0.6
295.22400	0.5
297.03964	1.4
298.04849	100.0
299.05148	6.7
312.22745	2.6
313.03851	3.1
313.07190	61.5
313.17688	2.9
313.23712	7.4
314.07495	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.54758	0.3
59.01253	0.5
59.98921	0.4
64.74039	0.3
65.00201	0.8
66.99150	0.3
69.37782	3.5
70.57355	0.3
87.11053	0.3
107.01288	0.6
109.02866	0.6
119.01305	0.9
121.02863	0.7
123.00789	1.3
125.02299	0.6
132.02049	0.5
133.02863	26.7
134.03183	0.9
139.03972	0.9
147.00771	2.8
147.04469	0.7
149.02341	1.9
149.99538	0.8
155.04932	0.8
161.02397	0.4
167.04980	0.7
171.04462	1.8
182.03674	1.0
183.04453	3.1
185.02328	0.6
195.04474	0.6
198.03194	0.8
199.03961	3.5
201.05539	0.4
210.03172	0.7
211.03976	3.2
213.01910	0.4
214.02708	0.6
226.02650	0.9
227.03462	11.6
228.03796	0.8
239.03418	1.1
241.01421	1.3
242.02094	0.7
245.00929	0.9
254.02174	0.8
255.02994	34.9
256.03415	2.5
266.02347	0.4
269.04657	0.5
270.01709	2.0
270.04553	0.4
283.02499	59.4
284.02884	3.9
285.04010	1.0
295.02457	0.5
297.03961	0.4
298.04837	100.0
299.05167	8.3
312.22763	0.6
313.03543	7.5
313.07126	44.7
313.20248	1.1
314.04306	0.6
314.07513	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.3
71.57500	0.2
71.57912	0.2
72.54671	0.2
77.03847	0.2
88.37002	0.2
89.02347	0.2
93.03336	0.4
121.02853	100.0
122.03182	3.4
122.08670	0.2
152.85762	0.2
180.05719	0.7
181.06532	4.9
182.06943	0.2
184.04591	0.2
197.05937	0.2
225.05539	6.9
226.05893	0.6
269.08051	0.4
308.83093	0.2
312.22516	0.2
313.03680	0.7
313.07169	9.8
313.23547	0.4
314.07559	0.8
337.76788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.5
65.00209	0.5
69.70547	0.9
69.70957	1.3
73.32253	0.4
76.88689	0.3
93.03404	0.4
98.19852	0.4
99.08009	0.4
107.01264	0.7
117.03365	0.8
121.02884	0.6
127.73558	0.3
151.00275	0.9
155.04930	0.4
159.04395	0.8
167.04974	0.4
169.57565	0.3
171.04417	0.4
182.03659	0.6
183.04433	4.6
183.13803	0.6
185.95697	0.3
187.03963	0.9
190.21008	0.4
199.03938	0.5
211.03951	5.0
213.01930	0.6
226.02644	1.0
227.03465	3.7
241.05023	1.6
254.02258	0.7
255.02975	77.6
256.03320	4.6
269.04556	2.8
270.05295	0.6
283.02481	100.0
284.02814	6.4
294.21530	3.3
295.21799	2.7
298.04828	61.1
299.05191	4.5
312.22601	3.0
313.07178	57.4
313.23468	4.9
314.07489	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	313.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.8
63.02272	8.1
65.00201	10.3
66.00504	0.4
71.57778	0.4
71.58131	0.4
81.90733	0.3
83.01263	7.9
89.02312	0.4
93.03345	5.3
95.01295	1.8
107.01277	16.4
109.02825	0.7
113.02271	0.5
117.03340	1.5
119.04905	0.5
121.02831	1.5
123.00745	0.7
123.04408	3.1
125.02317	1.1
130.04137	0.9
131.04906	1.1
132.02049	0.9
133.02888	2.3
139.00212	0.4
143.04942	1.6
145.02858	1.6
147.00752	0.6
151.00285	25.9
152.00581	0.9
155.04982	0.8
157.02881	1.0
158.03664	0.5
159.04453	1.1
161.02391	3.5
163.00273	2.5
164.01091	1.9
165.01848	0.8
167.04955	1.1
169.01367	7.5
169.02788	0.7
169.06483	1.4
170.21577	0.4
171.04436	3.2
173.06032	1.6
175.04070	0.5
178.99773	0.4
183.04453	0.5
184.05196	0.4
185.02371	0.8
185.06007	1.3
195.04459	1.3
196.00041	0.7
196.05275	1.4
197.06012	3.7
199.03938	4.1
201.05498	0.8
211.03984	1.5
212.04834	0.5
213.03581	0.6
213.05522	8.9
214.05737	0.4
221.11819	0.9
223.03999	0.6
227.03447	4.6
228.03870	0.7
229.05052	2.9
233.85205	0.4
239.03519	1.8
239.12781	0.5
240.04243	2.4
241.05028	12.9
242.05377	0.7
243.02881	0.3
255.02991	4.1
256.03769	2.0
257.04526	6.1
267.02795	0.7
269.04587	1.3
270.01682	0.5
284.03284	12.5
285.04041	23.9
286.04379	1.9
295.02530	1.5
301.03986	0.4
313.03555	100.0
314.03906	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0356
Annotation	5-hydroxybowdichione
Peak:m/z	Relative Intensity
51.78215	0.2
57.03317	1.0
62.84416	0.2
63.02271	1.0
65.00196	4.4
69.77468	0.3
69.77885	0.9
81.03329	0.6
83.01258	4.7
98.19690	0.2
105.03341	0.7
107.01273	5.8
112.17980	0.2
117.03371	0.8
121.02865	0.2
123.04400	0.7
124.01517	0.3
124.04751	0.3
125.02344	9.6
126.02709	0.5
131.01335	0.8
133.02867	3.8
143.04869	0.3
147.04419	0.6
149.02345	0.7
151.00282	10.0
152.00655	0.3
156.67316	0.2
157.02849	0.3
158.03642	0.2
159.00768	1.4
159.04401	0.6
160.01572	1.1
161.02362	7.3
161.03705	0.4
161.05927	0.2
162.02937	0.4
163.00273	0.4
167.04990	0.9
169.06468	0.2
171.04416	0.9
173.02168	0.2
173.05984	0.4
174.03133	0.7
175.03935	2.5
176.12463	0.2
182.03630	0.2
183.04430	0.6
185.02344	0.6
185.06036	0.6
187.00298	4.5
187.03963	0.3
188.00987	0.4
195.04480	1.1
196.05231	0.3
197.05969	0.5
198.03180	0.5
199.03963	1.9
201.01909	0.4
201.05511	0.5
203.03461	0.7
205.01352	1.0
210.03102	0.2
211.03911	0.9
212.04706	0.4
213.05515	0.9
215.03513	0.3
217.04950	1.7
223.03957	1.1
223.05823	0.2
224.04538	0.2
226.02629	0.3
227.03450	1.8
229.05116	0.3
239.03448	1.7
240.04025	0.3
241.05069	1.0
242.02180	0.6
243.02875	0.6
245.04588	0.5
251.03439	1.9
252.03996	0.3
253.01292	0.3
256.03912	0.2
257.04602	0.9
267.02966	3.4
268.03436	0.3
269.04535	0.4
284.03363	0.2
285.03979	2.2
286.04416	0.2
295.02481	13.9
296.02921	2.0
311.01868	0.2
313.03537	100.0
314.03897	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65339	0.8
63.38031	0.6
64.13490	0.6
70.87146	1.2
70.87484	1.0
80.56860	0.6
113.09641	1.1
115.07518	0.9
126.06804	0.7
127.07581	0.8
129.97861	0.9
142.35718	0.7
152.05235	0.6
167.14383	3.1
183.13817	2.9
195.13837	10.2
196.14230	0.9
211.13353	1.7
213.14923	1.0
223.43340	0.7
242.15112	1.6
293.21207	9.3
294.21594	0.7
296.25256	0.8
311.22278	100.0
312.22610	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0353
Annotation	Gomphrenol
Peak:m/z	Relative Intensity
56.44960	0.6
63.02275	0.9
65.00194	0.9
69.42944	6.7
104.69624	0.7
107.01271	1.1
119.85876	0.7
120.93307	0.7
130.04141	0.7
133.02898	1.1
145.02887	0.8
151.00351	1.1
158.03642	5.0
160.01494	0.8
161.02341	2.8
170.03716	1.7
171.04425	1.4
172.01512	1.3
173.02397	1.6
174.03116	1.0
175.03833	0.7
185.02422	1.6
186.03151	8.9
186.37854	0.7
187.03857	1.4
189.01872	2.4
189.05467	0.9
189.12755	5.9
191.07135	1.4
198.03186	4.2
199.03918	4.2
199.38692	0.7
201.01889	2.0
205.08656	3.9
213.01871	2.1
214.02654	14.9
215.03366	2.4
216.00549	4.3
217.01291	2.5
218.02217	1.5
226.02742	2.8
227.03427	2.2
241.01393	100.0
242.02133	29.7
243.02657	2.9
245.00891	47.4
246.01216	2.4
253.01427	1.9
254.02182	3.0
255.02863	1.4
257.04648	1.1
269.04514	1.1
269.19061	0.9
270.01700	98.3
271.02402	30.5
273.00470	1.8
274.01190	1.4
282.01685	15.0
283.02142	1.1
285.04047	38.0
286.04388	2.4
298.01172	36.4
298.04584	1.7
299.01947	36.5
313.03546	82.5
313.18054	10.2
313.23822	1.2
314.04202	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03205	1.4
51.57281	1.3
58.00454	1.6
59.01245	3.0
62.89470	1.7
70.89015	3.0
70.89376	3.5
75.15268	1.4
99.08060	3.2
110.61132	1.5
113.09628	2.0
115.84338	1.4
127.11150	3.9
128.05681	1.9
129.09134	8.4
139.11148	2.1
155.10756	1.9
162.76082	1.6
165.12784	1.8
167.14468	1.8
169.12242	3.0
171.10207	22.2
181.12311	5.7
183.10197	3.2
183.13829	2.0
185.11797	5.4
193.12297	3.2
195.13725	1.7
197.11783	14.6
199.13342	5.5
201.11302	4.9
211.13365	21.6
212.13806	2.0
275.20154	3.8
293.21274	23.9
294.21527	1.8
311.22305	100.0
312.22653	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60886	0.8
54.82048	0.8
57.03317	2.5
59.01236	1.7
83.04908	1.7
85.06454	0.8
87.93211	0.8
97.02813	2.8
98.20572	1.8
99.08046	3.6
102.13998	0.8
111.08056	1.5
113.09576	4.0
118.58069	0.7
121.10106	2.2
125.09647	1.3
127.11143	1.1
129.09096	2.8
130.50525	0.7
139.11203	6.0
149.13304	0.8
151.11224	1.1
163.11186	0.8
165.12804	1.6
167.10735	1.0
169.12224	1.9
171.08755	1.3
171.10191	18.4
172.10574	1.2
181.12271	3.3
182.12959	0.9
183.13852	2.1
185.11784	1.3
193.12268	9.1
197.11755	7.5
199.13440	3.8
209.11801	1.1
211.13359	15.7
212.13583	1.0
227.12746	1.3
229.68541	0.9
249.22174	1.8
265.21417	0.8
275.20303	1.5
293.21231	33.7
294.21552	3.3
311.22287	100.0
312.22562	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73609	0.4
54.87373	0.4
57.03332	1.1
59.01252	1.2
63.35592	0.4
69.03333	0.8
70.87505	1.3
71.01270	0.5
83.04886	0.7
97.02831	0.8
97.06458	0.8
99.08047	1.2
113.09580	2.4
121.10147	0.9
125.09614	2.3
127.11183	1.5
129.09116	1.7
137.09615	0.5
139.11208	9.6
140.11510	0.5
153.09094	0.7
153.12782	0.8
155.10664	0.8
163.11191	2.8
164.12044	0.6
165.12758	1.2
167.10690	1.1
167.14403	0.9
168.11415	0.9
169.12183	0.7
171.10197	15.9
172.10480	0.5
181.12326	3.1
182.13013	0.7
183.13831	1.8
185.11829	2.2
192.31459	0.4
193.12349	1.0
195.13969	0.7
197.11769	2.9
199.13383	0.8
201.11299	1.8
211.13350	5.5
249.22272	2.9
265.21622	0.7
267.23291	0.5
275.20120	1.5
293.21243	62.9
294.21573	5.2
311.22275	100.0
312.22629	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	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.70147	0.8
59.01244	2.0
70.15850	4.1
71.01251	1.1
71.16216	0.9
80.11784	0.9
98.20510	1.0
109.31757	0.8
111.08028	1.2
122.59637	1.0
126.29263	0.9
127.11186	1.6
129.09145	2.0
170.00273	1.1
171.10165	1.1
181.12387	0.9
183.01160	13.6
183.13977	1.2
195.13852	1.1
197.02707	8.6
197.11858	1.3
211.13263	1.7
249.22229	6.4
250.22514	1.2
251.37189	0.9
265.21597	2.2
267.23254	8.5
293.21243	30.5
294.21454	1.8
311.16864	42.9
311.22305	100.0
312.17154	3.6
312.22623	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02059	3.4
72.03004	0.8
125.09589	1.0
127.11198	0.7
129.09152	0.8
142.09805	1.1
153.12782	3.9
169.12247	2.5
181.12276	10.3
197.11700	1.1
199.13322	2.5
228.13567	1.6
267.23282	0.9
288.75601	0.7
293.21283	10.0
294.21252	0.8
311.22278	100.0
312.22620	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
58.00475	7.7
65.49431	0.6
72.09171	0.6
73.02817	1.1
98.19725	0.9
99.08060	1.1
106.37597	0.5
109.06485	1.5
113.09608	1.1
127.07559	5.8
129.09096	1.7
131.21010	0.6
151.12660	0.6
169.12263	0.6
171.10197	2.4
179.14445	0.7
181.12271	2.2
183.13852	19.9
184.14151	1.3
193.12296	2.1
195.13831	2.6
197.11794	3.2
197.54855	0.6
199.13327	1.1
201.11293	5.1
207.23337	0.9
211.13371	9.5
213.14899	6.4
223.13377	1.6
236.74355	0.7
239.16602	1.1
241.14432	7.4
275.20135	2.1
293.21231	15.5
311.22287	100.0
312.22687	7.9
326.44934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2019
Annotation	Longithorone K
Peak:m/z	Relative Intensity
56.03605	0.2
59.01253	0.3
69.86941	1.0
70.59910	0.2
74.21559	0.2
77.01876	0.2
79.95618	0.4
100.45228	0.2
119.04939	0.4
133.06503	2.4
149.09636	100.0
150.09975	4.4
167.14336	0.2
170.00327	0.2
171.10191	0.2
183.01149	9.9
184.01831	0.7
195.13809	0.4
197.02759	0.5
211.13335	0.2
216.01028	0.4
225.45369	0.2
239.07417	0.3
249.22351	0.2
262.15030	0.2
293.21341	0.4
311.16876	15.4
311.20224	53.8
312.17197	1.5
312.20572	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.6
71.01248	2.7
75.00748	3.1
85.02803	1.4
89.02293	0.7
89.03828	3.1
101.02321	1.0
109.17274	0.8
110.76054	0.8
117.03345	9.8
117.53141	0.9
127.58170	0.9
134.03635	100.0
135.02887	7.5
135.03963	4.2
149.02321	1.2
149.05992	6.6
160.01569	2.0
175.03990	1.7
193.04988	86.9
194.05341	4.8
229.25287	1.0
257.07581	0.9
334.34607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.6
71.01248	2.7
75.00748	3.1
85.02803	1.4
89.02293	0.7
89.03828	3.1
101.02321	1.0
109.17274	0.8
110.76054	0.8
117.03345	9.8
117.53141	0.9
127.58170	0.9
134.03635	100.0
135.02887	7.5
135.03963	4.2
149.02321	1.2
149.05992	6.6
160.01569	2.0
175.03990	1.7
193.04988	86.9
194.05341	4.8
229.25287	1.0
257.07581	0.9
334.34607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0563
Annotation	Acicerone
Peak:m/z	Relative Intensity
59.01247	1.3
71.01241	0.9
71.57390	0.5
79.46844	0.5
91.01791	2.0
99.80410	0.5
103.01791	1.0
108.02092	0.8
110.27448	0.5
117.03366	1.4
123.04410	1.8
131.01254	1.0
132.02100	0.9
133.02864	4.1
135.00771	2.7
143.05017	0.8
145.02858	1.3
147.00813	0.8
151.00276	0.6
153.01871	1.6
159.00749	1.6
160.01593	3.2
161.02354	7.3
167.04942	2.9
169.02904	0.8
171.04430	1.1
173.02382	1.1
183.04453	3.1
184.05225	1.2
185.02388	0.8
187.00354	2.0
187.03955	1.6
193.03021	0.5
195.04491	2.9
196.05156	0.8
197.02382	1.2
199.03928	1.5
202.99831	0.6
205.01543	0.5
210.03268	0.6
211.03966	9.2
211.95758	0.5
212.04695	2.1
213.01917	0.8
215.03494	2.0
217.80910	0.5
223.03949	3.3
224.04669	3.3
225.01974	0.8
226.02725	1.2
227.03418	3.0
239.03464	11.5
239.05757	1.0
240.04245	10.8
243.03000	2.4
250.02686	10.6
251.03310	2.1
252.04332	0.6
255.02979	6.9
256.03427	0.6
267.02951	8.1
268.03738	9.5
269.00891	1.4
269.04041	1.0
278.02216	11.8
279.02655	1.7
283.02481	2.3
293.04523	0.7
295.02469	5.4
296.00476	0.7
296.03265	39.9
297.03625	3.6
311.01984	100.0
311.05640	83.8
311.22226	1.4
311.29514	0.7
312.02319	10.3
312.05994	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	311.0563
Annotation	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
63.02250	0.6
65.00201	1.8
68.99691	1.0
69.94263	1.3
74.19817	0.3
75.01402	0.3
78.57999	0.4
83.01274	0.4
83.04823	0.3
89.00201	0.5
94.00506	0.9
95.01256	0.6
97.02836	0.9
98.19793	0.6
103.65909	0.3
110.00011	0.7
123.00778	0.4
133.65123	0.4
145.02852	2.2
146.03656	4.5
147.03947	0.4
149.99464	0.6
151.00264	0.5
154.04161	0.7
156.05704	0.4
165.01859	1.8
167.04962	1.6
168.05731	1.1
169.02962	0.4
170.03621	1.1
172.01572	1.4
180.05771	0.9
182.03653	1.1
183.04442	2.4
184.05223	1.5
195.04436	1.7
196.05226	4.4
198.03249	1.7
199.03917	0.9
206.03667	1.2
207.04367	1.7
208.05164	1.0
211.03957	3.1
212.04715	2.2
219.12555	0.3
223.03932	0.8
224.04730	9.3
226.02698	0.3
227.03497	1.3
239.03441	0.9
240.04245	7.3
241.04485	0.5
250.02692	16.7
251.03456	4.9
252.04265	1.2
267.03003	0.8
268.03772	21.4
269.04086	1.0
278.02228	1.6
279.02988	1.5
283.06110	0.7
293.04538	5.5
293.21075	1.4
294.05020	0.9
295.02362	0.4
296.03268	43.0
297.03561	3.3
311.05615	100.0
311.22189	6.2
312.05969	8.1
318.51733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33192	0.6
57.79181	0.5
63.02262	3.4
65.00201	2.9
70.14675	2.6
83.01246	1.5
94.77551	0.6
95.01260	1.5
98.19885	0.7
99.96407	0.5
107.01295	3.4
117.03335	2.6
121.02847	1.2
127.05367	0.6
131.04976	0.6
133.02841	2.0
139.05383	0.7
141.03368	1.3
143.04900	1.6
145.02879	1.7
147.04419	0.9
151.00261	2.7
154.04091	1.3
155.04939	3.4
157.02863	1.4
159.04424	2.5
161.02386	2.8
165.03349	1.9
167.04935	4.7
169.02831	2.4
171.04420	3.6
173.02364	1.9
177.01869	1.6
182.03676	5.5
183.04459	15.0
185.02411	4.6
187.03912	2.6
187.53860	0.6
193.02835	3.0
195.04443	3.6
197.02388	2.1
198.03146	1.9
199.03975	6.0
201.01878	2.5
209.02419	1.5
210.03229	1.7
211.03958	15.6
211.05869	1.2
212.04140	0.7
213.01923	4.2
214.02708	0.7
215.03412	1.4
221.02408	1.1
222.03059	0.6
225.01933	1.3
226.02640	1.8
227.03448	14.1
229.01468	0.7
237.01933	4.2
238.02742	4.0
239.03471	7.7
239.31816	0.8
242.02332	0.7
253.01422	4.6
254.02110	1.9
255.02972	41.3
256.03293	3.1
262.99594	0.7
265.01486	6.0
266.02191	6.2
267.02994	2.7
281.00946	2.1
282.01730	6.7
283.02487	63.9
284.02762	5.1
292.20026	1.0
293.01041	0.8
310.01248	1.4
310.21094	0.9
311.01974	100.0
311.22205	2.7
312.02377	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54222	1.4
57.03328	2.2
58.95530	1.4
59.01242	1.8
59.63827	1.9
69.03312	6.5
70.11282	1.5
70.34935	7.6
83.04906	2.6
84.02011	2.3
95.76234	1.4
97.02828	27.8
97.06477	2.2
98.19956	1.8
109.06467	2.3
111.08057	11.2
125.09599	3.4
127.11185	1.6
137.09596	5.3
148.47531	1.7
163.11169	6.6
165.12790	15.9
171.10210	9.6
179.14296	2.1
181.12244	4.3
183.13777	3.8
193.12201	2.0
193.15839	2.1
197.11772	25.9
206.36337	1.7
209.11815	4.7
209.15160	2.0
211.13362	5.4
223.13367	2.7
227.12968	8.5
247.20688	11.6
251.16475	2.4
263.20175	2.0
266.33603	1.6
273.18570	6.6
279.33139	1.6
291.19672	100.0
292.20111	8.3
309.20691	61.7
310.21008	5.4
334.75027	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12563	0.3
59.01251	0.6
65.00210	0.6
69.29167	2.6
71.06667	0.2
73.92022	0.3
75.00780	0.3
85.02831	0.4
91.01794	0.4
93.03447	0.3
103.01752	1.4
107.01315	0.5
107.36978	0.3
117.03348	0.6
119.01309	0.5
120.82502	0.3
123.04430	0.5
130.08641	0.7
131.01317	1.0
133.02866	1.0
135.00792	0.7
141.03392	0.5
143.04973	0.8
145.02855	0.6
147.00783	0.6
151.00253	0.8
153.01891	0.6
155.04964	0.8
157.02881	0.3
159.00764	1.3
159.04477	0.3
160.01595	1.1
161.02371	2.1
163.00264	0.3
167.04897	1.6
169.02919	0.7
171.04465	0.9
173.02386	0.9
175.00291	0.3
177.01938	0.5
182.03734	0.6
183.04474	2.2
184.05240	0.4
185.02370	0.7
187.00377	0.7
187.03877	2.5
195.04501	1.5
196.05188	0.3
197.02463	1.0
199.03957	0.8
201.01923	0.7
202.99788	0.7
210.03223	0.4
211.03949	5.8
211.05835	0.4
212.04469	0.9
213.01978	1.0
215.03474	2.2
222.03246	0.3
223.03996	1.2
224.04802	0.7
225.01947	0.4
227.03426	2.2
239.03470	3.6
240.04224	3.4
241.01436	0.5
241.04578	0.4
243.02966	3.5
250.02765	2.4
251.03398	0.4
252.04173	0.4
255.02980	7.2
255.05466	0.5
256.03455	0.4
267.02975	3.0
268.03711	2.3
269.00967	1.2
278.02267	2.4
279.03049	0.3
282.01740	0.5
283.02396	2.8
283.05063	0.3
284.03009	0.3
295.02594	1.0
296.03262	8.7
297.03687	0.6
311.02057	100.0
311.05627	15.8
312.02396	9.0
312.06027	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	309.2073
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03321	2.7
59.01253	3.3
69.03321	3.1
71.01302	1.0
71.01694	2.3
71.04892	6.2
83.04893	1.6
84.67726	0.7
93.06982	1.5
95.04919	1.2
97.02847	7.3
97.06480	2.4
107.04930	1.1
109.06477	1.1
111.08046	31.7
112.08443	1.3
119.08552	1.3
121.10106	1.6
123.04484	1.3
125.09615	3.2
127.07546	2.0
135.08081	1.1
137.09628	11.0
153.12857	1.2
163.11214	2.7
165.11613	1.2
165.12790	6.5
169.12285	5.4
169.91321	0.8
171.10199	20.2
179.14275	1.3
181.12280	3.2
183.13792	3.1
185.11809	2.4
193.12337	1.3
193.15887	1.8
197.11768	69.7
198.12097	2.7
199.13297	2.7
207.13841	1.2
209.11775	3.4
211.13382	7.3
219.13779	1.2
223.13239	1.4
225.14882	0.9
227.12871	8.1
235.16936	0.9
239.16512	2.4
247.20753	4.6
251.16461	7.5
253.37971	0.9
263.20184	3.1
265.18063	3.0
273.18607	4.2
291.19678	81.4
292.20084	6.8
309.20721	100.0
310.21033	8.3
327.39862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53414	1.5
57.03302	1.6
62.89111	1.5
71.01263	1.6
83.04889	2.0
97.06481	2.5
113.09625	3.0
115.07569	1.9
126.89608	1.2
147.54953	1.4
165.12752	7.6
167.14255	2.0
181.12282	4.9
193.12309	2.1
195.13795	2.6
211.13284	6.5
221.15372	2.8
229.53937	2.2
231.17213	1.4
240.13664	1.9
247.20569	4.2
273.18585	5.7
281.21219	1.9
291.19687	56.3
292.20068	4.5
309.20734	100.0
310.21042	11.3
328.18896	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.2
69.03322	1.1
70.15409	3.3
73.02802	1.0
75.75317	0.7
78.41452	1.1
109.06467	1.2
109.80509	0.9
110.10349	0.8
111.08046	30.1
127.07568	1.8
137.33812	0.8
151.11220	1.5
153.12747	1.9
169.12251	5.6
179.10693	1.0
181.12337	1.9
183.13863	1.5
192.43942	0.8
193.12231	1.0
196.66283	1.0
197.11780	100.0
198.12079	4.7
199.13318	4.1
211.13344	12.9
227.12833	3.4
247.20656	0.9
263.20145	6.5
265.18039	2.1
273.18613	2.3
291.19647	16.7
292.19919	1.2
309.20712	27.0
309.24298	1.5
310.21048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.1
69.03331	2.8
69.38099	9.7
72.27106	1.0
95.01231	1.0
97.02834	14.1
109.06410	1.2
111.08034	1.8
119.08570	2.6
121.06316	1.0
123.08048	2.0
125.09615	3.0
137.09598	6.8
147.34244	0.9
151.03896	1.9
151.07510	4.0
152.08278	3.2
160.48486	1.0
163.11215	5.3
165.12796	5.6
165.74078	1.1
171.10197	15.1
177.12750	1.8
179.14322	1.6
181.12299	2.9
183.71315	1.0
185.11697	1.6
193.15976	1.4
195.13821	1.8
197.11755	2.7
204.70493	1.0
209.11725	2.8
209.15434	6.5
211.13437	1.4
223.13286	3.5
224.85512	1.1
234.86836	1.1
239.12769	1.9
247.20677	8.6
273.18512	3.3
282.80969	1.1
291.19672	100.0
292.19977	9.1
309.17084	9.7
309.20679	88.8
310.20978	7.4
321.82663	1.1
327.82852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45417	1.3
57.03335	9.6
59.01251	3.8
69.03332	5.7
69.60322	11.5
71.04897	4.1
81.03334	3.0
83.04894	6.4
84.28600	1.6
85.02831	3.1
85.06471	6.0
87.04417	2.1
95.04897	1.7
97.02831	37.9
97.06467	3.8
109.06506	3.2
111.04417	2.5
111.08066	2.8
119.08604	2.1
125.09615	2.3
129.09148	1.6
137.09613	7.9
163.11227	2.2
165.12773	4.2
167.10667	1.9
171.10196	16.9
177.12814	1.5
179.14392	5.4
181.12251	2.6
183.13847	3.4
193.12303	2.2
195.13831	16.6
205.12273	2.2
209.55496	1.2
211.13353	3.6
221.11852	2.4
221.15393	14.7
223.13376	9.1
227.12784	2.9
229.75610	1.5
233.15405	2.8
239.12756	2.9
239.16566	3.2
247.20714	7.2
251.16544	7.9
273.18671	7.5
291.19687	100.0
292.19998	10.9
309.20731	93.6
310.21112	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37153	1.1
55.01775	1.8
57.03328	2.3
59.01260	3.1
60.54003	1.2
69.03336	2.4
70.26611	4.8
71.04933	1.8
80.02544	2.7
81.03352	3.2
83.01263	10.3
83.04904	4.0
95.04914	2.2
97.02859	1.1
97.06484	4.0
98.03662	1.4
111.08074	1.3
121.10112	1.1
123.04417	4.8
123.08080	4.9
125.06017	2.2
125.09621	13.6
127.11191	1.4
135.08089	1.3
137.09601	1.4
139.11208	12.6
153.12810	1.8
154.27525	1.1
162.10428	1.4
163.11198	9.4
165.12769	17.0
167.10727	6.8
167.11996	1.0
168.11571	1.8
171.10156	2.0
181.12260	4.9
183.13803	2.5
191.10730	4.1
193.12289	1.6
193.15938	6.4
197.11868	1.9
207.10121	1.4
209.11781	49.4
210.12105	3.1
211.13237	2.0
247.20683	15.9
248.20966	2.2
263.20184	1.5
265.21713	4.7
273.18732	5.9
281.21341	1.2
283.39999	1.2
289.73514	1.1
291.19672	100.0
292.20035	10.3
309.20715	29.4
310.21078	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.0
59.01232	3.7
65.73959	1.9
67.01736	2.7
69.03345	2.7
70.88599	5.6
70.88974	2.1
71.04911	3.9
71.44853	2.1
80.02544	9.6
81.03346	4.9
83.04905	29.6
84.02038	10.5
95.04903	3.2
97.02804	2.7
97.06458	6.1
99.08043	7.1
109.06433	3.0
113.09642	3.2
115.07560	4.0
123.04353	2.9
125.09599	5.9
127.11170	4.4
132.52911	2.1
134.18059	2.1
137.09636	52.3
138.09880	2.4
139.11195	8.5
146.64384	2.4
150.16385	2.0
151.07736	2.5
151.11200	5.1
151.25345	2.1
153.09099	6.2
153.12737	3.0
155.10689	51.8
155.12611	2.6
156.11078	3.3
164.58920	2.1
164.93610	2.0
167.10728	4.4
169.12256	3.0
171.10193	49.9
171.72716	2.4
181.12210	2.6
186.43390	2.1
190.25839	2.1
193.12294	34.6
197.11790	4.3
209.11798	4.1
211.13327	5.6
216.72008	2.3
247.20677	9.4
263.20215	4.6
265.21674	7.2
277.96915	2.0
281.21280	2.6
291.19687	100.0
292.19971	9.9
309.17310	5.1
309.20700	76.3
310.21161	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.6
59.01259	1.0
83.04882	0.8
84.44719	0.7
94.01699	0.6
98.03654	0.9
109.06418	1.1
111.08062	4.0
125.09650	1.8
125.76388	0.7
127.11209	2.4
151.11160	1.5
153.09135	1.3
153.12752	6.5
155.10672	1.9
165.12817	1.0
167.10742	1.8
169.12219	1.5
171.10210	1.1
179.14313	3.1
181.12268	3.7
193.15894	1.6
197.11745	4.6
198.58223	0.7
199.13322	1.8
207.13855	2.9
209.11771	0.8
211.13428	1.0
215.12868	1.6
226.12076	0.7
227.12762	1.5
228.13623	1.9
247.20653	5.6
263.20258	1.3
265.21649	1.2
273.18631	3.6
281.21143	1.9
291.19684	46.4
292.20020	4.3
308.46606	0.7
309.20718	100.0
310.21097	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	309.2072
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
54.01771	0.5
57.03330	2.4
59.01255	3.4
64.58670	0.5
69.03319	1.4
69.22194	0.7
69.22591	4.9
71.01250	1.0
71.04899	1.3
78.37801	0.5
80.02531	0.6
80.96375	0.6
81.03327	1.5
83.04897	2.2
85.02837	2.1
95.04879	1.1
97.02850	2.9
97.06464	1.3
98.03641	0.9
99.08080	0.5
108.02023	0.8
109.06459	1.0
111.08036	3.3
112.10949	0.5
113.01608	0.4
113.09622	2.0
115.07537	2.2
123.04389	1.8
123.08063	1.4
125.05965	1.0
125.09631	5.5
127.07510	0.9
129.09120	2.2
136.05136	0.5
137.09613	2.1
139.11182	3.0
141.09065	2.3
146.12589	0.5
151.11211	0.8
153.12721	0.7
161.09639	0.6
162.10349	0.8
163.11241	3.3
165.09077	0.8
165.12788	7.8
167.10674	2.4
167.14307	0.7
168.11362	0.5
169.12413	0.5
171.10182	3.2
177.12846	0.6
179.10706	1.2
179.14391	1.0
180.11478	1.5
181.12286	2.6
183.10229	1.0
183.13791	1.4
185.11775	1.6
189.12755	0.5
193.12268	1.8
193.15933	2.9
195.13832	1.1
197.11786	6.7
209.11780	12.2
211.13330	4.0
221.11790	1.1
223.13347	1.0
225.11079	0.5
238.12045	2.1
247.20659	9.8
263.20016	0.7
265.21716	2.3
273.18604	3.9
283.03943	0.5
291.19675	81.4
292.19998	7.5
309.20718	100.0
310.21100	8.1
312.74896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03324	27.7
59.01256	19.2
69.03333	6.7
69.05352	2.8
70.77597	4.6
70.77978	5.7
71.01260	16.6
71.04869	3.7
73.02792	2.4
77.86336	2.2
79.62794	2.3
79.90971	2.5
80.02573	2.9
83.04906	9.5
89.21911	2.3
95.04900	7.4
96.95901	19.2
97.06478	9.6
99.00732	4.4
101.02284	3.4
106.65288	2.5
109.06531	3.6
111.08051	15.1
113.09618	17.5
119.04792	2.5
120.72833	2.6
125.05960	3.1
125.09607	5.1
137.09645	4.4
139.11198	3.7
149.09650	3.0
151.03918	6.6
151.07573	10.9
151.11188	51.0
152.08308	4.1
152.11630	2.7
153.12784	7.9
155.10686	4.4
163.11224	6.2
165.12770	55.6
167.10637	5.2
169.12364	2.7
171.10257	3.1
173.09814	3.1
179.10706	10.8
181.12270	49.5
182.12593	3.2
185.11572	2.9
191.10701	20.0
193.15955	3.6
195.10178	3.0
197.11798	19.9
209.11775	100.0
209.15396	12.8
210.12115	6.9
211.13347	11.5
227.12849	4.4
247.20609	14.4
252.10184	3.3
263.20190	8.4
265.18225	2.7
265.21753	10.0
273.52756	2.5
281.21249	7.7
288.88187	2.8
291.19678	55.6
292.20013	4.7
309.17242	35.6
309.20737	79.6
310.21057	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	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
56.81499	1.7
58.00466	4.5
59.01252	100.0
69.03323	1.7
69.70149	5.6
69.70555	4.8
71.01257	47.0
72.06281	1.7
72.99183	3.3
73.02814	8.4
75.00744	9.8
80.09423	1.6
83.01237	5.4
85.02806	14.3
87.00758	1.8
89.02319	28.0
95.01242	2.8
99.04377	3.0
101.02321	35.2
113.02331	19.0
119.03403	14.6
125.47040	1.8
129.05457	10.9
145.04980	3.7
147.06531	7.2
161.04459	9.6
237.06119	6.8
267.10895	6.5
291.10690	2.6
309.11929	84.1
310.12262	5.5
331.50012	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.8
71.01268	7.9
71.01601	1.4
71.44815	1.7
71.45153	1.7
73.02821	35.6
81.03349	2.4
83.01273	1.8
88.32605	1.1
96.34972	1.3
97.06477	2.1
99.04402	4.9
101.02301	2.6
115.00277	3.9
119.04925	62.0
120.05250	2.8
133.01323	6.4
134.03618	9.4
145.02895	4.9
145.04964	20.1
163.03920	73.4
163.06042	100.0
164.04227	2.9
164.06471	2.1
193.05009	6.3
250.27669	1.4
309.10123	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	309.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58413	0.9
59.01247	1.1
69.33879	10.1
71.01261	5.4
71.04877	1.1
72.99197	1.8
73.02820	38.9
74.03160	1.0
77.22243	0.9
78.90253	0.9
81.03336	4.8
83.01263	3.6
83.04897	3.5
93.03352	1.0
98.20497	1.8
99.04388	6.6
101.02325	1.1
117.03337	1.5
119.04916	68.8
120.05260	2.2
127.03904	3.1
133.93520	1.0
145.02934	6.6
145.04965	26.2
151.08635	3.4
163.03902	100.0
163.06027	91.1
164.04240	2.8
164.06351	3.0
194.09192	1.7
235.58495	1.1
309.09979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1194
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01760	7.2
57.03323	7.4
59.01254	100.0
70.72266	9.2
70.72625	8.1
71.01260	99.4
72.99181	6.6
73.02818	23.7
75.59609	4.2
83.01259	11.4
85.02830	44.7
87.00739	6.2
89.02325	26.9
92.81226	4.2
95.01238	6.2
96.24776	4.0
99.00772	8.3
101.02321	59.1
112.01025	4.1
113.02346	31.1
119.03399	8.3
129.01834	7.5
147.06525	47.5
159.02895	7.2
161.04474	32.7
181.08591	4.5
185.72908	3.9
220.01578	4.1
228.35173	3.6
243.91521	3.6
254.29979	3.7
291.19644	4.6
292.65002	4.1
309.08484	6.2
309.11926	70.3
309.20377	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2282
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
51.73218	0.6
60.12342	0.6
83.37651	0.6
96.95876	0.9
125.57271	0.6
136.79681	0.7
229.39122	0.8
307.22803	100.0
308.23138	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	307.2282
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
56.83964	1.2
57.03005	1.2
57.03312	2.9
59.01246	8.0
59.90688	1.2
66.39238	1.1
71.01259	1.9
71.04900	2.3
78.67894	1.1
83.04901	1.9
96.95906	2.7
111.08017	1.6
150.86440	1.2
161.04468	2.5
177.12759	4.4
177.16440	1.7
179.14346	13.0
195.13895	3.8
205.12248	2.7
205.15877	8.6
223.13373	19.1
231.21191	6.7
238.15884	1.7
249.03857	1.4
257.19299	1.4
275.20178	100.0
276.20517	8.9
289.18207	2.7
291.09058	1.7
307.19449	5.4
307.22791	92.1
307.30096	21.7
308.23230	9.4
308.30408	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
54.13990	2.5
57.03318	8.5
59.01247	7.0
64.50527	2.2
69.94416	10.7
71.01259	6.7
74.22306	2.1
75.96499	2.4
81.70440	2.7
83.04888	3.9
95.04931	4.0
97.06464	15.9
107.04933	2.8
109.06506	3.8
111.08057	7.2
113.17802	3.0
119.04980	2.9
119.51777	2.9
123.08080	3.3
125.09623	4.7
151.11195	19.4
153.09055	2.7
155.10707	14.9
163.11180	4.6
165.12761	20.7
167.10741	5.3
169.12263	5.4
177.12849	3.8
179.10637	4.4
181.12294	18.5
191.10716	4.4
191.14368	8.7
197.11841	3.1
209.11780	30.7
211.13365	7.1
225.77867	2.7
239.09334	4.5
245.19060	36.4
245.21358	4.0
246.19427	3.8
263.20148	14.9
271.17059	2.5
279.19724	3.9
289.18127	51.2
289.21179	1.9
290.18454	3.7
307.15677	5.1
307.19174	100.0
308.19501	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	11.9
59.01254	10.4
69.03331	5.5
69.58128	12.4
71.01254	8.2
79.05408	1.9
80.02504	2.0
81.03284	1.8
81.61721	1.9
83.04903	5.0
93.03356	2.8
95.04887	3.1
95.88924	2.1
95.89621	2.2
97.06472	22.2
101.64462	1.8
107.08572	2.1
109.06451	3.3
111.08039	13.3
121.06450	2.4
123.04395	2.6
123.08089	3.5
125.09621	6.4
135.08043	2.2
137.09552	3.8
149.09654	4.2
151.11197	25.9
153.09081	3.2
155.10709	17.7
163.11168	6.7
165.12769	30.3
167.10727	3.6
169.12277	5.9
177.12863	2.5
179.10715	9.1
181.12273	24.9
182.12520	2.7
185.11731	2.6
191.10742	8.5
191.14359	11.2
191.88925	2.2
195.10243	2.6
197.11798	4.3
205.12340	5.6
209.11777	43.8
210.12076	2.3
211.13347	10.5
217.16034	2.1
224.10486	3.3
239.09189	4.1
245.19090	42.5
246.19446	4.4
251.20146	2.4
261.18707	2.7
263.20126	11.9
271.17056	4.1
279.19565	6.1
289.15176	3.7
289.18137	51.4
290.18472	4.0
307.19150	100.0
308.19482	8.0
320.39285	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22013	1.0
50.66457	1.0
57.03328	5.8
59.01257	6.9
67.01759	1.6
69.03329	1.4
69.41015	2.2
69.41429	8.0
71.01260	2.5
73.74854	0.9
79.95599	1.7
80.02564	3.0
81.03327	6.8
82.42300	0.9
83.01274	5.8
83.04893	3.6
89.62765	1.0
93.03352	1.2
95.01317	0.8
95.04900	5.0
97.02821	5.9
97.06473	12.2
98.20650	1.8
106.04136	1.6
109.06479	4.7
110.03602	1.4
111.08047	1.3
119.08559	2.0
121.06472	4.1
123.04404	11.2
123.08030	4.4
125.05968	1.4
125.09612	19.4
135.08069	3.9
136.05203	1.5
137.05943	1.4
137.09618	12.0
141.12750	2.4
149.05966	3.2
150.10382	1.3
151.11203	3.6
160.08780	1.4
161.09671	2.0
163.07562	1.9
163.11195	18.5
164.08336	1.4
165.09125	1.4
165.12796	4.8
167.10709	1.8
171.10210	1.7
175.11221	1.4
177.12724	1.9
179.10779	2.0
181.12239	5.4
185.11754	24.2
191.10713	2.7
191.14349	19.3
195.14034	0.9
196.81052	1.0
207.10194	13.8
209.11784	25.9
210.12120	1.8
211.13338	2.6
212.61488	1.0
217.15892	2.5
225.11281	10.8
226.11923	1.1
231.15205	1.1
245.19092	45.7
246.19424	4.0
247.17001	1.0
263.20163	2.6
271.17102	5.0
289.18106	100.0
290.18466	9.9
307.19159	56.8
308.19370	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	5.4
57.03316	3.2
65.03838	66.8
70.34480	5.7
71.04893	34.6
91.99465	1.5
95.04878	4.2
97.06470	62.2
109.06454	2.6
117.04076	1.6
119.08555	13.4
121.06490	100.0
122.06805	2.3
123.08060	3.7
125.08743	2.3
125.09628	40.1
126.05329	1.6
137.09650	3.6
167.14284	2.9
185.11760	80.7
186.12067	2.7
209.11778	32.0
211.13347	35.6
212.13625	2.0
235.13365	90.3
236.13672	4.8
245.19121	2.0
249.14803	3.8
283.32846	1.6
289.18066	19.7
307.19208	27.3
308.19534	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09980	0.5
54.82127	0.5
57.03285	0.7
59.01260	2.3
65.16466	0.5
69.03305	0.9
70.12212	1.2
70.12628	1.2
71.01218	0.4
71.04899	6.2
80.02534	1.1
81.03349	2.5
83.04891	3.2
84.05751	0.4
86.45934	0.5
91.75320	0.4
93.03322	0.7
95.04898	3.3
97.02788	0.6
97.06440	1.0
98.03581	2.1
100.46407	0.6
106.04105	1.8
107.04873	0.9
109.02816	0.6
109.06477	17.6
110.03599	0.5
111.03748	0.5
111.04414	7.6
111.08028	2.4
112.05151	0.8
121.06460	0.9
123.04436	0.5
123.08028	1.5
127.07545	3.6
135.07980	0.9
137.05905	0.8
137.09612	1.1
141.09006	0.4
143.10687	2.4
145.06465	2.1
149.05899	0.7
149.09596	1.3
151.11147	1.6
163.11194	1.0
165.12747	1.3
167.10715	3.6
177.12671	0.7
179.10638	1.4
181.12242	0.6
191.14281	1.0
195.13806	4.9
205.15895	2.1
233.15436	0.5
235.13347	1.9
243.17505	0.7
245.19121	6.0
249.14977	1.0
251.16449	1.6
261.18542	2.4
271.17105	1.3
287.16470	2.7
289.18097	100.0
290.18469	8.7
307.19156	23.0
308.19534	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	5.0
57.03314	3.8
59.01236	1.4
65.03838	70.5
69.43123	10.4
69.43530	1.8
71.04897	41.8
83.04888	3.8
88.80517	1.3
90.46522	1.2
93.03341	4.0
97.06474	71.6
98.06818	2.4
98.20591	1.5
105.26189	1.2
109.06459	1.7
117.06995	3.3
119.08564	15.9
121.06489	100.0
122.06803	2.6
123.08054	4.2
124.72981	1.3
125.09619	44.3
125.10535	2.3
128.78102	1.2
135.08063	14.0
137.09636	3.5
141.12715	2.7
163.11273	1.8
169.08606	1.7
171.10153	11.0
185.11765	77.1
186.12056	2.1
209.11775	36.6
210.12167	2.9
211.13345	33.4
212.13658	2.9
233.15411	3.6
235.13371	85.7
236.13712	5.3
245.19051	2.1
249.14980	3.8
289.15125	2.2
289.18134	22.8
307.19186	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.0
70.15768	1.6
71.01267	0.6
73.54544	0.3
74.98948	4.7
75.96113	0.3
77.12290	0.5
85.02774	0.4
89.02343	0.4
91.02090	3.1
91.28087	0.3
93.00006	5.6
123.04420	0.3
149.00879	3.7
159.08391	6.3
159.09694	0.5
161.04430	0.6
161.06320	2.2
179.51440	0.4
182.60544	0.4
192.98044	0.5
206.99657	1.5
209.01215	2.5
209.11801	0.4
217.07175	0.8
223.02797	48.1
224.02844	4.4
225.00662	0.8
241.03888	1.8
245.19066	0.6
267.56509	0.4
289.07529	1.7
289.18228	1.5
291.09109	100.0
292.09247	10.3
307.12592	1.8
307.19168	1.7
309.10144	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72033	0.3
59.01251	0.3
59.96599	0.6
63.08798	0.2
71.15742	0.6
74.98943	5.0
75.96116	0.4
88.12564	0.2
89.97530	0.2
91.02083	3.4
93.00014	5.2
99.79208	0.3
100.95699	0.2
106.92744	0.3
149.00871	3.0
159.07146	0.5
159.08382	6.6
161.06311	2.5
175.16766	0.2
192.98108	0.4
206.99640	1.4
209.01184	2.8
217.07104	0.7
223.02800	50.3
224.02846	3.8
225.00710	0.5
241.03868	1.3
245.18886	0.3
289.07626	1.9
289.18082	0.6
291.09109	100.0
292.09238	10.3
307.12274	2.6
307.19141	1.2
309.10181	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	306.0768
Annotation	Glutathione
Peak:m/z	Relative Intensity
52.33960	0.9
58.02853	15.2
58.99471	0.8
66.03373	1.0
68.04910	0.9
69.23527	9.3
70.02872	1.5
71.01271	1.7
72.00784	3.1
74.02349	31.5
77.97988	0.9
80.03667	0.8
81.04474	1.3
82.02873	4.1
85.03953	1.1
86.02356	10.5
86.05985	1.0
86.98987	2.6
87.05518	11.9
88.03918	1.4
90.00081	3.6
93.80809	0.8
95.02410	1.1
97.03971	3.5
97.44505	0.7
98.19730	1.8
99.05529	23.6
100.00297	1.5
100.03907	1.0
101.07127	3.7
102.05511	3.1
107.06030	1.2
108.04460	0.8
109.03975	4.1
109.07597	1.3
109.92043	0.8
111.05542	2.7
112.03938	3.1
113.03493	1.4
116.01671	1.2
120.01151	1.3
123.05540	2.4
124.03991	1.4
125.03496	2.4
126.01895	1.0
127.05029	5.8
128.03439	73.2
129.03787	1.7
131.04523	2.5
132.02948	1.1
135.05547	6.5
137.07062	1.6
141.06602	7.7
143.04533	100.0
144.01135	1.0
144.04889	2.1
145.06102	4.5
146.04495	9.9
149.07140	1.1
153.06607	7.0
159.63051	0.8
160.00655	24.9
166.09761	3.6
167.04532	6.7
167.08209	3.3
170.03198	1.2
171.04053	1.7
171.07712	1.3
175.02788	1.1
176.03427	5.2
177.03328	9.9
179.04573	20.3
180.04877	0.8
180.07719	0.9
181.06094	3.0
184.10841	1.7
185.05634	4.1
192.07758	2.0
197.05606	3.7
198.08823	1.9
202.82047	0.7
210.08788	18.9
215.75037	0.7
218.08208	1.2
228.09885	1.7
242.07866	3.3
254.07819	22.6
255.08168	1.2
262.07227	2.8
272.08902	27.0
273.09134	1.5
288.06772	5.0
289.06693	0.7
306.07693	29.3
307.08066	1.7
307.14182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	14.9
58.99475	0.5
59.01255	0.6
65.07308	0.3
65.39977	0.2
66.03354	1.4
67.02886	0.4
68.04930	0.8
70.02848	2.0
71.01250	1.2
72.00780	2.5
72.04403	0.3
74.02344	31.6
80.03654	0.3
81.04444	1.2
81.11023	0.3
82.02858	3.9
84.00767	0.6
84.04415	2.1
85.03951	0.8
86.02346	11.6
86.06005	2.0
86.98982	2.0
87.02687	0.3
87.05513	10.5
88.03905	1.3
90.00066	3.7
94.06470	0.3
95.02394	0.5
95.05989	0.6
96.04453	1.1
96.98497	0.3
97.03947	3.6
98.02352	0.5
98.05992	0.6
99.05519	27.1
100.00283	0.9
100.05872	0.8
101.07079	4.1
101.93661	0.3
102.05479	3.2
107.06041	1.4
108.04470	0.3
109.03966	3.7
109.07582	1.1
110.02359	0.6
111.05540	2.3
112.03921	3.5
113.03451	1.2
113.07117	0.7
116.01669	1.4
120.01130	0.9
121.03902	0.3
122.96119	0.3
123.05517	2.8
124.03954	1.9
124.07574	0.4
125.03470	2.9
126.01861	1.0
127.05035	5.0
128.03429	68.5
129.03775	1.4
129.99571	0.6
131.04477	2.5
132.02963	0.3
133.02910	0.5
134.03651	2.2
135.03914	1.4
135.05515	5.7
137.07112	1.7
138.05528	0.3
139.01329	0.4
139.05034	0.6
141.06602	7.6
143.04524	100.0
144.01120	0.7
144.04875	2.6
145.06078	3.7
146.04492	8.5
148.05208	0.8
149.03444	0.4
149.06036	3.5
149.07100	0.5
150.06316	3.4
153.06602	5.6
155.08168	0.9
160.00647	23.2
161.01004	0.7
162.06381	0.4
164.08192	0.6
166.09758	3.5
167.04547	6.7
167.08197	2.6
170.03259	1.1
171.04007	1.0
171.07701	1.6
175.02611	0.5
176.03430	2.4
177.03314	8.9
179.04547	18.2
180.04851	0.6
180.07697	0.7
181.06070	2.3
184.10924	1.4
185.05602	4.0
190.05006	0.5
191.05379	0.6
192.07700	1.8
197.05623	4.0
198.08754	2.1
199.07227	0.7
200.07222	0.4
204.06615	0.3
205.06934	1.0
210.08772	20.3
211.09109	0.8
213.03358	0.8
228.09883	1.9
231.04419	0.9
236.06686	0.5
242.07788	2.9
248.11195	0.9
249.11810	0.3
254.07800	21.2
255.08180	1.1
260.08957	0.3
262.07169	1.1
264.14270	0.8
272.08856	23.1
273.09201	1.1
288.06613	4.1
289.06665	0.3
290.13507	1.4
291.14059	1.2
305.16138	0.6
306.07642	26.5
306.16409	3.0
307.07938	1.8
307.13861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23727	0.9
57.03322	1.4
59.01253	4.5
69.03328	0.9
71.01254	1.1
71.04897	35.0
71.41597	1.0
80.02541	1.0
81.03334	3.3
83.04919	2.2
93.03336	4.0
95.04912	20.2
97.06473	2.1
106.04132	2.8
107.04907	2.9
109.02830	1.6
109.06484	17.4
111.04404	1.6
116.44048	0.8
119.04961	1.5
120.05731	1.9
121.06501	6.2
122.03631	2.2
123.04453	1.5
123.08105	1.7
125.05965	1.2
125.09637	1.2
127.07558	1.5
128.03412	0.8
133.06462	1.0
135.04507	1.1
135.08069	9.3
136.05217	1.4
147.04419	2.1
147.08080	3.8
149.05952	1.9
149.09680	1.9
150.06743	2.5
161.06094	2.1
161.09683	2.5
162.06718	1.0
165.09128	13.2
185.11786	4.0
189.12788	15.0
190.13202	1.6
195.13782	1.0
203.14470	0.9
205.15935	11.5
215.10736	1.2
231.13950	2.7
233.11861	5.9
243.17523	11.5
249.14902	14.7
261.18704	2.7
269.15411	3.3
287.16553	76.3
288.16895	6.1
289.14676	1.1
305.17609	100.0
305.20667	3.4
306.17999	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.38590	2.3
59.01262	19.5
69.03331	2.5
71.04898	21.1
71.58176	3.2
72.98695	2.3
73.02830	7.4
76.85364	2.5
87.70670	2.5
90.71635	2.4
93.03341	2.8
95.04941	3.1
97.06468	7.5
99.04399	100.0
100.04758	3.6
109.06495	6.0
113.70150	2.7
121.02818	2.9
121.06482	3.4
123.08058	27.9
125.05959	11.4
135.08076	8.3
136.05211	3.2
143.04608	2.5
149.06042	3.0
149.09648	12.8
150.85374	2.5
161.09714	2.5
161.13298	3.9
163.11124	2.5
175.11269	2.8
189.12801	3.5
193.12367	4.6
205.12267	4.8
219.13855	7.1
231.13858	5.3
243.17542	48.9
244.17813	5.4
249.14993	3.4
269.15488	7.8
277.18237	3.0
287.16537	70.7
288.16898	7.0
305.17627	86.0
305.21234	9.1
306.08029	3.0
306.17978	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	305.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68301	0.6
55.01759	1.6
55.96114	0.6
57.03320	2.2
58.14418	0.6
59.01254	1.2
65.03840	2.8
69.03345	0.9
69.93616	3.1
69.94043	1.1
71.04904	7.1
79.05411	13.1
83.04919	1.4
86.06553	0.6
93.03335	1.4
94.04138	0.9
95.04927	1.9
97.06483	13.5
106.04145	9.5
107.04927	2.9
109.06466	3.7
111.21176	0.7
117.07017	1.1
119.04964	0.8
120.05711	6.9
121.06521	3.7
123.08057	6.0
125.09622	16.4
126.08141	0.6
126.09984	0.6
133.06520	1.2
135.08069	100.0
136.08438	3.8
137.09647	1.7
145.23744	0.6
151.11221	2.6
163.11209	1.6
171.10324	0.8
177.12741	1.1
183.10197	1.7
185.11772	2.4
189.12810	2.0
205.15967	5.7
207.10246	2.5
209.11804	1.8
221.11821	2.1
231.13950	1.2
233.11749	0.9
243.17487	1.3
249.14957	50.4
250.15349	3.4
261.18628	0.7
263.16629	2.0
269.15582	1.1
273.22208	0.7
280.41949	0.6
286.10306	0.6
287.16571	7.1
305.17621	53.9
306.17920	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	303.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.3
69.53526	3.1
79.71268	0.5
80.69247	0.5
91.03891	0.7
92.04386	0.5
94.44025	0.4
97.06451	0.6
97.78609	0.5
98.19798	1.0
100.35225	0.5
123.37888	0.5
125.02403	0.6
139.11214	0.5
165.12758	0.5
167.14337	29.2
168.14671	1.5
211.13345	29.5
212.13779	1.4
229.14421	100.0
230.14795	7.4
282.90811	0.6
303.18201	16.5
304.18552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26600	0.4
58.02853	53.6
67.26375	0.4
71.34778	0.9
91.17522	0.4
93.49712	0.4
121.80839	0.4
147.09561	0.5
168.13866	100.0
169.14265	3.8
212.12871	3.8
304.19424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.162
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
57.45164	1.3
59.01246	3.2
59.77641	1.2
61.75119	1.2
65.23900	1.2
69.77035	7.8
71.01263	2.3
92.81767	1.5
98.20531	2.4
99.00739	1.8
101.02345	1.8
109.02827	3.7
111.00757	1.6
121.02844	2.5
123.00755	1.5
125.02312	4.9
128.03427	2.6
133.02852	6.8
134.03635	74.3
135.04463	12.7
137.02350	6.5
139.00273	2.7
141.01823	1.9
143.04503	4.7
145.02869	2.4
147.04381	1.7
148.04051	1.8
148.05212	24.4
149.02361	3.1
149.05997	100.0
150.03105	3.2
150.06299	4.9
161.02371	10.8
161.05992	14.1
162.03061	4.9
175.02623	4.0
176.03427	9.2
184.09700	2.7
190.04997	16.5
194.02072	3.4
204.06601	26.6
205.06859	1.8
218.08173	5.9
219.06525	1.7
232.09755	4.2
247.10840	21.7
248.11629	9.0
263.14001	12.9
272.10486	16.1
288.13477	2.5
289.13028	28.1
290.13818	25.3
291.14114	2.9
305.06650	7.7
305.12595	4.1
305.16153	60.2
306.07358	1.7
306.16522	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	303.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.3
58.85104	0.9
59.01254	5.7
71.01254	15.8
71.33225	1.7
73.02815	14.5
76.68970	1.1
83.01282	2.0
85.02832	24.9
87.00752	100.0
88.01103	1.6
95.01279	4.4
99.00779	1.2
101.02366	1.0
103.03894	11.3
103.93221	0.9
110.03448	2.2
111.00742	1.2
113.02330	7.2
115.00277	10.9
120.86150	0.9
127.00343	0.9
127.36505	1.1
129.01855	2.4
133.31844	1.1
157.01346	6.6
175.02397	19.7
271.05161	0.9
280.97235	1.0
303.07562	1.1
310.59412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18732	1.7
57.03324	4.2
59.01250	4.5
71.01260	18.3
71.56131	3.7
73.02815	11.4
73.76587	1.8
85.02827	24.2
87.00757	100.0
95.01272	3.7
100.03947	2.6
103.03902	8.0
110.03484	10.2
113.02354	6.0
115.00275	11.3
117.09127	1.8
118.15016	1.7
129.01874	2.0
157.01337	7.4
175.02396	17.6
187.10754	3.1
192.35374	1.8
236.42252	1.7
267.50726	1.5
285.10983	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	301.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99851	0.2
53.02669	0.2
60.97370	1.1
63.49585	0.3
74.98956	0.7
74.99346	0.3
92.71928	0.3
92.99998	0.4
96.47272	0.3
98.76563	0.2
111.43097	0.2
113.46318	0.3
114.53436	0.3
118.96106	0.6
134.99298	6.8
135.99228	0.3
136.96362	0.3
136.97246	3.5
141.07344	0.5
150.98804	0.7
151.00235	0.7
159.08383	1.6
161.06311	8.0
162.06479	0.4
172.84944	0.2
201.03975	0.6
203.05591	3.7
204.05724	0.3
205.03497	1.4
215.05627	1.4
217.07169	98.2
218.07317	6.7
227.21436	0.3
229.48814	0.3
235.08214	0.6
261.06155	0.8
262.06177	0.3
283.11960	0.6
285.13483	42.3
286.13626	4.4
288.27682	0.3
301.03531	1.3
301.16608	100.0
302.16797	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	303.0513
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
55.01751	4.5
56.58406	2.9
57.03320	7.2
59.01247	6.3
65.03828	2.7
65.15517	2.6
67.01765	4.6
69.83441	16.3
71.01255	4.3
74.91691	3.1
81.03329	11.3
82.02849	2.9
83.01254	8.5
85.02844	6.0
87.00768	4.8
93.03349	7.4
95.01265	5.0
97.02827	5.5
98.19904	4.0
99.00769	16.0
102.00113	3.2
108.02040	3.4
109.02845	39.9
111.00764	19.3
111.93529	3.2
113.02328	5.0
119.04942	3.4
119.61764	2.6
121.02847	8.2
123.00765	11.6
123.04424	6.6
124.01553	2.6
125.01447	5.1
125.02354	100.0
127.00229	6.1
128.03401	3.9
131.05031	3.7
133.02867	4.4
135.04439	6.1
137.02361	42.3
138.03127	11.5
139.00259	21.5
139.03885	5.2
140.00993	3.6
141.01852	63.1
143.04973	4.3
147.04419	11.6
149.02359	14.3
149.06000	4.7
151.03949	5.0
152.01047	4.9
153.01837	61.8
159.04402	3.5
161.02353	30.6
161.05981	6.8
162.03009	3.2
163.03885	4.9
164.01067	5.2
165.01810	11.8
166.02609	7.4
167.03372	9.7
171.04443	4.3
172.05173	3.6
173.02307	4.7
173.05984	4.3
174.03163	10.1
175.03937	30.8
175.49387	3.2
177.01865	18.7
180.00563	4.7
181.01331	7.7
187.03972	3.4
189.05489	10.7
193.04910	3.9
197.30469	3.0
199.03954	8.7
201.01869	7.9
203.03447	7.8
205.05035	6.2
213.05481	5.6
215.03476	6.0
216.04102	4.0
217.05087	24.9
229.05144	3.3
231.02840	4.1
231.06406	4.4
235.06163	8.3
241.05031	7.9
257.04535	8.9
259.06052	8.8
275.05493	3.7
285.04019	22.6
299.79999	3.0
303.05139	56.9
304.05655	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.8
67.06450	0.1
71.01784	0.6
89.02316	0.4
91.03877	0.9
97.75615	0.2
135.04404	0.6
151.00308	0.3
165.12782	3.6
166.13094	0.3
183.13834	100.0
184.14163	5.2
209.11774	2.1
223.07547	0.2
227.12857	4.4
228.13158	0.3
239.28539	0.2
301.03461	0.4
301.13101	0.4
301.16556	6.7
302.16757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02454	0.2
59.01254	1.1
59.09129	0.2
69.70835	0.8
69.71256	0.4
83.04929	0.2
88.36156	0.2
89.02334	0.5
91.03860	0.8
111.08022	0.4
131.00905	0.2
165.12764	3.9
166.13232	0.2
171.65706	0.2
183.13832	100.0
184.14174	5.8
209.11786	2.1
209.73019	0.2
215.51765	0.2
221.19179	0.2
227.12852	4.8
228.13118	0.2
283.98935	0.2
293.60947	0.2
301.03403	0.3
301.16580	7.5
302.17023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79567	0.2
59.48952	0.2
63.02260	1.0
65.00195	3.1
69.36292	0.9
69.36725	1.3
83.01262	1.7
91.01762	0.6
93.03333	1.8
95.01279	0.7
106.00502	0.6
106.19207	0.2
107.01271	3.5
107.04895	0.5
108.01543	0.3
109.02835	0.7
117.03359	0.4
121.02852	4.4
123.00743	0.6
124.01534	0.4
125.02345	0.6
134.03636	2.8
135.04420	100.0
136.04761	4.5
137.02344	0.3
139.00282	0.3
149.02271	0.4
149.98473	0.2
149.99498	8.9
151.00281	10.5
152.00996	0.5
153.01846	0.4
159.04396	0.3
161.02357	0.8
163.00279	0.7
164.01068	0.6
165.01854	6.2
169.01341	1.4
170.54077	0.2
176.79875	0.2
178.99796	3.5
183.02927	17.8
184.03256	0.7
185.02242	0.2
187.04018	0.3
201.05446	0.6
206.99312	0.7
208.00063	0.6
209.11810	1.1
211.03845	0.3
215.03401	0.3
227.03374	0.3
227.12817	0.4
228.03848	0.2
229.05058	0.3
244.03323	0.4
245.04622	2.1
246.04845	0.4
255.02959	0.5
256.03348	0.9
257.04489	0.8
268.03833	1.0
272.02872	1.7
273.04022	2.8
274.04315	0.3
276.29712	0.2
283.02710	0.5
283.06137	1.5
286.04846	3.4
297.70685	0.2
301.03488	16.1
301.07187	19.5
302.03812	1.0
302.07578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	Quercetin
Peak:m/z	Relative Intensity
60.36094	0.6
63.02271	13.1
65.00197	24.1
75.98327	0.6
83.01263	13.1
93.03343	6.4
95.01292	0.8
107.01274	36.5
109.02854	4.2
121.02847	29.5
122.03177	0.9
124.01573	0.9
125.02359	1.2
134.13638	0.6
136.01407	0.7
137.02347	1.0
139.03917	3.0
147.04381	0.8
149.02359	4.8
151.00282	94.9
152.00655	2.3
159.04401	2.2
161.02386	1.6
163.00259	2.2
163.03920	1.2
164.01076	2.8
169.01334	4.6
175.03928	0.9
178.99788	30.4
180.00085	1.2
187.03958	1.5
193.01353	2.7
201.05542	1.3
203.03539	1.0
211.03937	1.6
227.03462	2.1
229.05026	2.2
245.04514	3.1
255.02852	1.0
256.03491	1.0
257.04532	1.0
272.03036	1.0
273.04007	5.0
301.03528	100.0
302.03894	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00207	0.5
59.01239	1.8
68.01295	3.5
71.01250	1.3
71.57467	0.7
72.99159	0.7
74.72147	0.5
85.02851	0.4
88.03922	1.1
96.04421	0.5
109.02843	0.7
110.05977	0.6
121.02832	0.4
122.02365	1.0
123.03176	6.2
124.07546	1.1
130.08588	0.9
132.02936	2.7
135.49344	0.4
137.04730	1.0
138.05504	100.0
139.05888	3.3
140.07100	0.5
149.02335	1.0
152.07080	1.7
152.09570	0.5
167.05786	2.3
168.06586	0.7
180.06587	6.0
210.07628	0.7
215.03625	0.5
215.07147	0.6
240.08780	0.5
276.70270	0.4
281.21783	0.5
300.02621	1.1
300.07370	0.6
300.10852	11.8
300.19064	0.6
301.03519	1.0
301.11511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29810	0.2
62.93950	0.2
63.02279	0.5
65.00207	1.6
69.66241	1.7
80.30452	0.2
83.01272	0.5
91.01782	0.5
107.01276	2.3
108.02063	4.2
109.02875	0.4
110.30846	0.2
111.00751	0.3
119.01358	0.3
120.02068	0.5
123.00691	0.2
124.01556	0.7
125.02465	0.2
133.02899	0.3
134.03288	0.3
135.00783	1.7
143.04968	0.5
146.94321	0.2
147.00812	0.8
148.01572	4.8
151.00285	2.2
152.00914	0.2
155.04950	0.8
157.02875	0.5
159.04463	0.7
163.00308	1.6
164.01071	1.7
169.02811	0.4
171.04439	1.7
172.04874	0.5
173.02362	0.6
175.03990	0.3
182.03612	0.3
183.04486	1.4
185.02399	0.3
187.03961	2.1
192.00603	0.5
197.02351	0.5
198.03145	1.0
199.03946	4.8
200.04381	0.8
201.01895	2.1
202.02489	0.5
203.03490	1.4
211.03966	1.9
213.01926	0.9
214.02489	0.3
215.03447	4.1
216.04105	1.1
225.01782	0.3
226.02670	2.1
227.03459	8.0
228.03868	1.0
229.01405	2.0
241.01398	0.3
242.02199	0.7
243.02975	22.5
244.03387	2.3
254.02235	2.2
255.02983	34.2
256.03366	2.7
269.18954	0.3
271.02487	81.8
272.02896	9.8
299.01978	2.1
300.02737	100.0
301.03152	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	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
52.20200	0.4
55.64854	0.4
59.01247	0.7
71.01248	0.6
71.57919	0.9
138.05559	1.3
217.00266	1.1
232.80728	0.5
251.23639	0.6
253.25340	3.6
271.02466	0.8
281.24811	1.3
284.03238	0.9
297.24365	0.9
299.01926	3.8
299.25916	100.0
300.02536	0.8
300.26285	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	300.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48850	0.3
57.51790	0.3
63.02274	2.5
64.02625	0.9
65.00191	2.3
75.78012	0.3
76.86585	0.3
79.03002	0.3
80.50720	0.3
83.01311	1.3
89.00274	0.3
91.01801	0.8
93.03327	0.4
97.67873	0.3
98.19794	0.5
107.01278	4.0
108.02145	2.2
109.02856	2.6
110.03199	1.6
121.02817	0.5
124.01617	0.6
132.05339	0.3
133.02869	2.8
134.03197	2.8
135.00813	1.2
136.01053	0.3
143.04947	1.2
144.05289	2.2
145.02898	0.6
146.03230	0.4
147.00822	0.8
147.04456	0.4
148.01608	2.6
148.04767	0.7
151.00278	4.3
152.00685	0.6
155.04910	0.7
155.23566	0.3
156.05301	0.7
157.02917	0.6
157.56593	0.3
158.03262	1.2
159.04475	0.4
160.04820	0.4
163.00314	1.1
164.01103	0.9
169.01413	0.4
171.04462	2.3
172.04768	3.3
173.02354	0.7
174.02737	1.0
175.03900	1.5
176.04301	2.0
178.99800	0.9
182.03583	0.5
183.04398	1.2
184.04761	0.5
185.02258	0.5
187.03857	1.7
188.04286	1.7
197.02406	0.6
198.02711	1.6
199.03902	4.9
200.04277	7.6
200.06007	0.6
201.01836	2.5
202.02213	2.6
203.03473	1.6
204.03833	0.5
211.03984	1.2
213.01869	0.7
214.02458	0.6
215.03406	3.1
216.03848	3.3
217.04286	0.3
226.02693	1.8
227.03345	4.9
228.03781	3.7
229.01363	1.0
229.23918	0.4
242.02058	1.2
243.02931	13.5
244.03322	4.6
254.02246	1.4
255.02957	19.5
256.03314	2.0
271.02478	48.0
272.02823	54.1
273.02997	3.2
283.01993	0.6
299.01926	1.4
300.02487	100.0
301.02924	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	299.0772
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
69.66850	1.0
69.67269	2.1
71.01254	0.5
78.95775	1.4
93.03337	14.3
100.76030	0.5
108.02055	100.0
109.02911	8.0
123.04398	0.5
132.31082	0.4
133.02802	0.8
137.02347	16.9
141.36911	0.4
151.03926	1.0
152.01064	58.3
153.01865	12.0
154.02159	0.5
163.03859	1.1
165.01845	0.8
177.63289	0.4
196.35582	0.4
256.29947	0.5
281.44244	0.6
299.07715	43.5
300.08142	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	299.0774
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
70.99944	1.7
71.01253	0.8
79.78918	0.6
85.89835	0.6
93.03342	20.4
94.03640	0.7
98.10868	0.6
108.02058	100.0
108.86063	0.6
109.02934	5.9
137.02348	29.2
138.02686	1.3
138.05511	1.4
151.03900	2.2
152.01068	59.1
153.01872	11.5
158.64911	0.6
163.03915	1.2
179.30382	0.7
192.74786	0.6
202.23061	0.8
299.07739	50.0
300.08182	3.2
300.54041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
57.93205	0.6
60.49665	0.8
66.10921	0.7
69.67342	4.8
85.43951	0.6
108.02054	9.0
109.02843	100.0
110.03169	2.1
119.04918	13.5
120.05237	0.9
123.00771	1.4
137.02368	4.1
152.01076	13.4
153.01857	57.5
154.02220	1.4
193.24609	0.7
271.47501	0.7
276.28015	0.7
299.07724	56.9
300.07907	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	299.0773
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01250	0.8
70.70567	2.2
78.95784	2.7
81.36538	0.6
82.77826	0.7
90.19666	0.6
93.03329	2.4
108.02058	100.0
109.02901	8.1
113.83173	0.6
119.04918	1.5
137.02322	2.0
151.03952	2.0
152.01070	57.9
153.01888	12.9
163.03906	0.9
195.25429	0.5
219.79778	0.6
299.07724	50.7
300.07904	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	299.0564
Annotation	Ebenfuran II
Peak:m/z	Relative Intensity
59.01272	0.7
63.02263	0.6
65.00185	0.6
71.57621	0.4
91.01775	1.2
95.01211	0.5
103.60959	0.4
107.01286	1.3
108.02079	2.8
109.02841	0.7
119.04925	0.9
120.05247	0.7
123.00751	0.6
127.48905	0.4
132.04449	9.9
133.02861	1.4
135.00760	0.8
143.04927	1.1
148.01573	12.4
149.02080	0.4
151.00290	2.0
154.08606	0.7
154.68202	0.4
157.02827	0.5
161.02386	0.5
171.04393	1.9
172.05128	0.6
175.04005	0.6
183.04395	2.2
187.03989	0.9
197.11652	0.5
199.03923	4.3
200.04774	2.4
201.01704	1.0
203.03423	0.6
207.10162	1.2
211.03979	1.4
215.03448	1.3
225.11273	3.5
226.02635	1.0
226.92151	0.5
227.03455	37.8
228.03859	1.9
238.02739	0.5
239.03477	22.6
240.03815	1.6
243.02986	2.7
255.02983	78.9
255.15118	1.0
256.03568	9.4
271.02484	15.5
272.02933	1.1
283.02643	1.1
284.03271	100.0
285.03571	5.4
299.01999	18.9
299.05627	40.0
299.25922	0.9
300.02670	5.5
300.06021	2.8
300.14676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Koparin
Peak:m/z	Relative Intensity
59.04203	0.3
63.02356	0.4
64.99970	0.8
65.00334	1.2
67.47408	0.4
68.99825	0.3
72.85228	0.4
74.67278	0.4
76.99486	0.3
78.84769	0.4
87.00404	0.6
87.00916	1.1
90.41228	0.3
90.50181	0.4
94.05559	0.5
95.01394	1.0
97.02947	0.7
98.20680	0.8
99.00888	0.9
107.01389	0.7
107.17019	0.3
109.02889	0.4
122.90696	0.3
123.00935	4.5
125.09755	1.0
132.02072	2.6
133.01933	0.9
133.02855	21.1
134.03691	2.7
137.81705	0.4
142.02753	0.4
143.05038	0.8
145.02989	0.5
146.03697	0.8
148.01567	2.6
149.02452	0.5
149.99489	7.9
151.00449	1.6
159.04514	0.5
161.02466	0.5
163.11284	0.8
169.01465	0.7
171.04601	1.4
171.31885	0.4
172.05194	2.9
175.00471	0.5
175.04013	0.4
181.12334	2.0
183.04475	2.8
184.05145	0.8
185.02530	0.4
187.04135	0.9
199.03952	5.6
200.04752	7.2
200.06479	0.4
201.05070	0.5
203.03471	0.8
207.10172	6.2
207.11865	0.4
209.15469	0.7
210.03313	0.6
211.03963	5.8
212.04829	1.1
215.03551	0.5
225.02252	0.4
225.11282	8.3
226.11624	0.4
227.03461	17.3
228.04184	4.4
239.03445	5.5
240.04218	3.0
243.02800	0.6
255.02983	7.3
256.03735	4.7
267.03091	0.9
269.04840	0.5
271.02499	4.6
283.02399	1.3
284.03259	100.0
285.03613	6.7
299.02106	6.6
299.05573	81.3
299.08237	1.6
299.14737	2.5
300.02496	1.2
300.05847	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02306	1.4
65.00220	0.8
69.33186	0.7
69.33584	3.2
83.01289	1.0
94.67422	0.3
101.22768	0.3
107.01269	2.0
110.54280	0.3
124.01657	0.3
125.02415	0.5
131.54378	0.3
132.02115	0.8
133.02887	0.7
134.03625	0.9
134.77103	0.3
134.79478	0.4
148.01602	0.6
151.00282	3.7
152.00989	0.5
182.20039	0.4
183.04541	0.6
199.04044	0.8
200.04724	0.8
211.03960	1.0
227.03423	2.8
228.04060	0.6
255.02946	2.9
256.03766	29.4
257.04172	1.9
271.02451	1.1
283.02563	1.2
284.03284	100.0
285.03607	7.1
299.05618	68.1
300.05917	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	299.0563
Annotation	Diosmetin
Peak:m/z	Relative Intensity
58.15879	0.2
63.02277	2.0
65.00203	1.4
70.01346	1.1
70.87437	0.2
79.22285	0.3
80.19016	0.2
83.01273	1.4
97.02880	0.3
98.20536	0.3
105.81403	0.2
107.01276	3.8
107.01946	0.3
132.02107	0.6
132.06752	0.2
133.02859	6.6
133.03786	0.4
134.03709	1.8
147.00832	0.3
148.01604	1.3
149.99535	0.8
151.00287	3.8
163.00346	0.3
165.01866	0.5
169.01416	0.8
171.04442	0.6
175.03915	0.5
183.04488	0.7
184.05113	0.4
187.03972	0.7
188.04822	0.3
199.04005	1.1
200.04756	0.9
201.01971	0.4
207.10130	0.3
211.03897	1.4
212.04637	0.5
213.02110	0.2
214.02809	0.4
215.03545	0.5
225.11250	0.4
227.03458	3.4
228.04079	0.3
239.03584	0.9
243.03069	0.6
255.02869	2.2
256.03723	6.9
267.02966	0.3
271.02463	3.8
277.98755	0.3
283.02579	1.3
284.03278	100.0
285.03619	6.5
299.05609	92.4
300.02673	1.0
300.05930	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	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40948	0.2
64.91027	0.3
65.00212	0.5
77.47069	0.2
107.01271	1.4
108.02074	0.4
115.71195	0.2
120.02099	0.3
123.08104	0.3
132.02069	1.7
134.03650	0.3
135.00783	1.5
151.00313	0.5
163.00301	0.6
164.01022	0.6
166.09297	0.2
172.05168	0.3
177.01700	0.2
183.04449	2.0
185.02390	0.5
187.03749	0.3
190.99811	0.4
195.04469	0.2
196.69026	0.2
199.03993	0.5
200.04730	0.2
211.03983	2.2
213.01900	0.3
225.11301	0.3
227.03455	58.2
228.03810	3.8
229.27118	0.2
229.29356	0.2
238.38664	0.2
239.03369	0.5
255.02972	82.0
256.03473	9.1
257.04257	0.3
267.16733	0.2
271.02502	0.5
276.60196	0.2
283.02490	0.5
284.03259	100.0
285.03629	6.5
299.05603	48.0
300.05917	3.7
316.91251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73892	0.8
59.78084	0.8
63.02276	4.1
63.02557	0.7
65.00191	3.0
83.01297	1.3
107.01263	3.8
108.02055	1.3
109.02827	4.3
115.05405	1.8
133.02861	7.2
135.00774	1.2
143.04921	2.3
147.00694	1.1
148.01555	1.7
151.00305	4.0
155.04945	1.3
157.02919	2.1
159.04384	1.0
171.04430	6.7
173.02365	1.7
175.03949	2.9
183.04456	2.5
185.02324	1.2
187.03899	4.0
197.02414	1.7
198.03198	2.0
199.03935	15.4
201.01837	6.4
203.03476	2.2
211.82716	1.0
214.02574	0.9
215.03528	6.9
215.05310	1.4
225.01770	0.9
226.02559	4.4
227.03421	10.0
242.02211	1.7
243.02974	12.8
254.02347	1.0
255.02988	13.5
271.02487	100.0
272.02731	7.2
282.01813	1.0
282.33801	1.0
299.01971	77.4
300.02609	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	299.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02275	4.4
65.00192	3.9
69.25185	1.3
69.25517	7.1
79.87092	0.6
83.01261	1.7
86.03446	0.7
106.11400	0.7
107.01297	3.0
109.02824	5.1
115.05466	0.9
119.01300	1.2
133.02849	9.1
135.00819	1.2
143.04918	4.3
145.02875	1.2
147.04451	0.8
151.00261	2.5
155.04935	1.1
157.02907	2.4
161.02342	0.8
165.05086	0.6
169.02879	0.9
169.61513	0.7
171.04422	7.6
173.02357	2.0
175.03932	3.7
183.04424	1.3
185.02368	1.0
187.03902	3.2
189.01793	0.9
197.02357	1.9
198.03143	3.2
199.03925	14.7
200.04356	0.8
201.01878	4.5
203.03421	1.1
213.01913	1.3
214.02762	1.2
215.03442	6.4
225.02065	0.7
226.02632	3.2
227.03494	6.6
228.03827	0.7
241.01427	1.1
242.02176	2.5
243.03014	9.1
255.02939	2.1
265.27142	0.7
271.02487	82.3
272.02829	5.7
282.01547	1.3
299.01974	100.0
300.02417	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	299.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69815	0.5
54.04195	0.5
56.77401	0.6
58.82251	0.5
63.02271	7.0
65.00198	3.6
65.50867	0.5
67.62299	0.5
67.62685	0.5
70.34219	1.2
70.34611	1.3
83.01247	2.1
89.00228	1.3
91.01731	0.6
107.01262	4.6
109.02845	6.5
115.05397	1.6
117.03407	0.6
119.90450	0.5
129.96797	0.6
131.04924	1.4
133.02843	13.2
135.00798	1.6
135.85312	0.5
143.04918	5.3
145.02867	1.4
147.00789	1.0
147.04399	1.6
151.00272	3.4
155.04919	1.9
157.02904	3.4
159.04396	0.9
161.77455	0.6
163.03906	1.0
169.01302	0.7
169.02876	0.8
170.03664	0.8
171.04433	9.6
173.02390	3.0
175.03917	5.0
182.03658	1.0
183.04398	1.1
185.02379	1.2
187.03947	5.0
188.04512	0.6
189.01978	0.6
189.05484	0.9
189.34813	0.6
197.02351	2.0
198.03117	3.2
199.03949	20.4
200.04250	0.6
201.01866	6.9
203.03423	1.7
214.02693	1.4
215.03448	8.3
225.01991	1.4
226.02722	4.3
227.03445	7.5
228.03841	0.6
229.01207	0.6
242.02116	2.8
243.02914	8.9
255.02937	1.9
271.02478	96.9
272.02847	7.9
282.01660	1.0
284.03210	0.7
299.01965	100.0
300.02335	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	299.02
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
63.02267	4.6
65.00200	2.9
78.25019	0.5
83.01257	1.1
89.00226	0.7
91.01780	0.7
95.01291	0.5
98.19843	1.2
107.01269	3.8
109.02843	4.3
114.27979	0.5
115.05433	1.0
119.01295	0.8
129.03316	0.4
129.58153	0.5
131.04964	0.9
132.04413	0.5
133.02859	8.3
135.00780	1.2
142.63509	0.5
143.04932	4.6
143.06706	0.5
145.02821	1.8
147.00746	1.0
147.04411	0.9
149.02339	0.9
151.00252	2.2
155.04951	1.1
157.02884	2.8
159.04417	0.8
160.99048	0.4
161.02428	0.6
169.02849	0.9
170.03629	1.0
171.04427	8.1
172.04713	0.7
173.02371	2.4
175.03931	4.2
182.03699	1.0
183.04437	1.5
185.02344	0.6
187.03896	4.6
189.05527	0.9
191.03253	0.5
197.02370	2.5
198.03165	2.4
199.03938	13.5
200.04234	1.0
201.01894	5.9
203.03464	1.1
213.01784	0.8
214.02614	0.9
215.03453	6.4
226.02602	3.6
227.03439	6.9
228.03903	0.6
241.01445	0.5
242.02171	2.0
243.02994	8.3
255.02985	1.8
271.02484	85.9
272.02798	5.1
273.57089	0.5
282.01645	1.4
284.03250	3.5
299.01978	100.0
300.02374	9.6
306.50400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26607	0.4
51.51788	0.3
63.02272	4.8
65.00193	3.3
72.17197	0.3
83.01275	1.5
89.00185	0.5
91.01781	0.8
95.01273	0.8
101.03826	0.4
107.01273	5.7
108.02046	1.6
109.02834	5.1
114.84847	0.3
115.05434	1.3
117.03348	1.0
119.01245	0.4
131.04906	1.1
133.02861	9.3
135.00743	1.7
141.03380	0.7
143.04945	3.7
145.02846	1.5
147.00751	1.1
147.04424	1.6
148.01584	1.0
149.02290	0.5
149.99496	0.4
151.00281	3.7
155.04945	1.9
157.02892	2.7
159.04427	1.3
161.02400	0.7
161.06003	0.5
163.00270	0.7
163.03935	0.7
169.01369	0.7
169.02864	0.5
170.03639	0.7
171.04437	8.2
173.02319	1.7
175.03922	4.6
182.03680	1.0
183.04427	1.8
185.02342	0.8
187.03954	5.0
189.05476	0.8
197.02414	1.9
198.03175	2.7
199.03943	16.7
200.04279	1.0
201.01889	6.1
203.03458	1.5
210.03191	0.4
211.03979	0.7
213.01888	1.0
214.02608	1.5
215.03473	6.4
216.03780	0.4
225.01926	0.8
225.11272	0.6
226.02679	3.3
227.03470	8.1
229.01360	0.5
231.02870	0.4
242.02145	2.3
243.02966	12.1
254.02310	0.8
255.02956	9.8
256.03476	0.4
271.02484	100.0
272.02811	5.6
282.01755	1.1
299.01968	89.6
300.02621	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	299.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02269	5.2
65.00195	4.0
71.57458	0.5
71.57821	0.5
83.01282	1.7
89.00223	0.9
91.01794	0.6
93.03321	0.6
94.56496	0.3
95.01324	0.5
107.01283	4.6
108.02068	0.8
109.02836	5.8
110.19122	0.4
115.05446	0.9
117.03340	0.8
119.01295	0.6
123.00818	0.4
124.01659	0.4
127.05463	0.5
129.03510	0.4
131.04951	0.9
133.02847	11.9
134.03195	0.7
135.00781	2.0
139.03932	0.4
139.74489	0.4
141.03381	0.5
143.04921	3.9
145.02852	1.6
147.00778	1.2
147.04425	1.2
148.01656	1.0
149.02318	0.8
151.00307	3.3
153.91855	0.4
154.91202	0.4
155.04927	1.5
157.02840	3.2
159.04405	1.3
161.02336	0.8
163.00298	0.6
163.03960	0.7
164.01070	0.4
169.01408	0.7
169.02846	0.9
170.03673	0.7
171.04424	8.1
172.04723	0.5
173.02388	2.1
174.03065	0.5
175.03940	4.9
180.07581	0.4
182.03645	1.1
183.04424	1.8
185.02396	0.9
187.03958	4.4
189.01907	0.6
189.05577	0.8
197.02397	2.5
198.03163	3.2
199.03940	17.5
200.04298	0.9
201.01881	6.1
203.03409	1.2
211.03947	0.5
213.01926	1.0
214.02718	1.0
215.03447	7.5
225.01938	0.6
225.11261	0.5
226.02667	3.8
227.03476	9.5
229.01500	0.8
231.03006	0.6
242.02145	2.7
243.02979	12.9
244.03346	0.7
246.85693	0.4
253.01669	0.5
255.02956	9.4
271.02478	100.0
272.02823	6.8
282.01599	0.6
284.03247	0.6
299.01959	93.6
300.02615	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	3.3
59.01248	5.7
60.26771	1.3
71.01273	2.1
71.57969	1.9
76.97375	1.2
83.01256	1.6
84.04431	4.4
93.13205	1.2
96.95995	1.3
100.07579	7.0
102.05492	97.2
103.05798	1.4
109.02798	1.3
128.03438	100.0
129.03784	2.9
133.02856	2.5
143.81369	1.3
146.04501	16.8
151.00322	1.4
169.12270	59.3
170.12625	2.0
171.04466	1.7
199.03964	3.2
201.01962	1.4
207.10248	3.8
224.13704	7.9
225.11380	6.7
225.13290	1.5
227.03384	8.8
236.16528	2.0
240.52617	1.4
245.26556	1.3
254.17592	20.8
255.02997	8.2
271.02475	19.9
280.15530	17.0
284.03262	11.7
298.04678	1.7
298.16608	57.7
298.24310	2.5
299.01981	33.3
299.05603	7.0
299.16992	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	297.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.8
58.02815	0.8
59.01249	7.3
69.03329	2.3
69.80287	0.9
69.80703	2.6
71.01248	2.9
71.04881	1.0
73.02811	0.6
81.03362	0.5
83.04871	0.6
84.04406	0.7
85.02814	1.0
85.06454	0.7
89.02316	3.1
89.32320	0.5
100.07549	0.6
101.02328	0.8
102.05500	9.0
109.06465	0.6
113.02328	0.9
116.05328	0.5
119.03445	0.6
128.03445	9.3
135.06499	0.9
146.04533	1.6
149.09615	1.6
161.13330	0.6
167.10670	4.5
169.12268	3.4
177.12787	1.1
179.10666	2.1
179.14351	4.7
187.11221	0.7
195.13847	14.1
205.12291	12.5
206.12741	0.7
223.13354	100.0
224.13689	6.5
233.79373	0.5
239.03596	0.6
254.02164	0.7
254.17632	2.1
267.03064	0.8
279.19742	1.0
280.15524	1.6
282.02032	0.8
282.05362	2.9
297.04349	1.0
297.07748	1.4
297.11884	1.4
297.17261	1.2
297.20770	2.6
297.24344	4.9
298.16678	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	297.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.7
59.01258	6.1
64.68391	0.5
69.03331	3.0
71.01256	1.7
71.04893	1.1
71.45637	0.5
73.04965	0.4
78.14534	0.5
81.77705	0.5
83.04909	0.9
85.02853	0.6
85.06437	0.8
89.02328	1.3
91.03869	0.8
93.03324	0.6
95.04890	0.9
95.54141	0.5
97.03513	0.4
98.20585	1.1
101.02330	1.2
109.06499	1.0
113.02328	0.8
135.06532	0.9
141.09076	0.6
167.10710	3.4
177.12749	0.6
179.10677	1.8
179.14371	4.4
187.43513	0.5
195.13860	11.3
196.14279	0.9
205.12314	12.4
223.13374	100.0
224.13708	6.0
229.46198	0.5
289.50925	0.6
297.04138	1.2
297.12015	0.7
297.17166	1.1
297.21207	0.8
297.24310	3.2
317.69031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1192
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01776	2.1
57.03319	1.7
58.00481	4.4
59.01257	100.0
60.01591	1.9
69.03353	0.8
69.92084	1.3
69.92499	2.6
71.01260	64.8
72.01598	0.9
72.99181	4.8
73.02824	10.3
75.00759	1.4
78.38837	0.7
81.03338	1.4
83.01260	3.6
85.02827	15.7
87.00765	2.4
89.02325	65.7
90.02618	0.8
95.01264	5.1
98.20575	0.8
99.00784	2.2
101.02332	39.2
102.02677	1.2
103.03910	1.5
113.02338	22.4
117.05487	2.3
119.03402	27.6
125.02378	0.9
131.03429	3.6
133.05026	0.8
135.06544	26.1
143.03427	4.1
149.04477	2.5
159.02881	1.5
161.04480	10.9
177.89424	0.6
179.05553	12.2
208.02365	1.0
237.09711	1.1
297.08502	1.7
297.11914	30.4
297.24368	2.1
298.12085	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	296.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23648	0.5
59.01265	0.9
67.05408	1.5
69.03342	0.5
69.96024	2.0
71.01260	1.0
89.02329	0.7
111.04423	2.7
111.97187	0.5
112.08200	0.5
114.05501	100.0
115.05848	1.9
119.04906	0.9
163.03891	1.0
181.08633	27.2
181.64539	0.5
182.09000	1.6
209.06487	0.6
235.07098	0.8
236.07544	5.8
252.16075	2.5
296.09711	4.2
296.15005	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0406
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
57.03314	0.2
59.01231	0.4
63.02268	1.2
65.00201	6.5
65.74865	0.2
69.30866	1.7
69.31272	0.4
71.01282	0.4
83.01263	3.5
95.01268	0.3
98.20599	0.5
107.01272	4.9
117.03354	0.8
124.01553	0.7
125.02350	1.5
131.04942	0.4
133.02882	0.2
135.04391	0.4
141.03366	0.4
143.04910	0.6
144.01990	0.3
145.02870	6.7
146.03465	0.7
147.04372	0.3
151.00279	7.7
151.05267	0.2
152.00574	0.3
155.04980	1.0
156.05499	0.2
157.06517	1.0
158.03661	0.9
159.04433	16.1
160.04742	0.7
161.02368	0.3
167.04919	2.6
169.02798	1.3
169.06516	0.8
170.03647	0.4
172.01579	1.0
179.04921	1.2
180.02101	0.2
180.05692	0.2
181.06531	0.5
182.03636	0.8
183.04446	5.9
184.04861	0.2
185.02391	1.4
185.06036	1.2
187.03935	7.4
188.04376	0.4
190.02559	0.3
191.04947	2.9
195.04402	0.3
196.05197	0.3
197.05998	1.7
199.03987	0.5
201.05534	2.2
207.04405	1.7
208.05109	0.4
209.05978	1.6
211.03972	4.8
212.04410	0.3
213.01819	0.4
223.03957	0.4
224.04659	0.3
225.05539	3.7
226.02589	0.4
227.03419	1.2
229.05048	1.6
234.03300	0.3
235.03978	6.8
236.04399	0.7
237.01807	0.3
241.04988	0.4
251.03482	1.3
252.04187	0.4
253.05060	1.1
255.02982	0.3
269.04510	2.4
270.04749	0.2
279.02991	14.3
280.03589	2.4
297.04050	100.0
297.24414	0.5
298.04388	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	297.1191
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
50.97969	1.3
55.01737	3.1
57.03306	2.2
58.00458	4.4
59.01251	100.0
70.71915	4.1
71.01256	65.4
72.99192	4.5
73.02814	9.1
75.00747	8.6
83.01251	4.8
85.02824	17.4
87.00739	4.8
89.02321	81.7
89.08592	1.4
95.01251	6.1
99.00749	3.1
101.02324	45.1
103.03867	1.4
108.15936	1.3
109.02802	1.5
113.02324	27.9
117.05445	2.0
119.02575	2.5
119.03387	35.9
131.03362	2.7
135.01852	1.5
135.06535	26.1
143.03397	5.7
149.04549	4.1
161.04477	13.0
170.93404	1.7
179.05548	15.7
180.88596	1.5
207.79140	1.4
237.06000	2.1
297.08243	17.4
297.11874	34.4
297.24219	2.1
310.13223	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03317	0.9
59.01248	2.1
60.40798	0.4
70.10061	2.2
91.27858	0.4
97.05779	0.4
97.06427	0.5
98.19756	0.6
99.08038	0.5
107.80186	0.5
109.06590	0.7
113.09615	2.0
139.11182	0.4
171.10204	6.1
179.14316	1.2
186.32983	0.5
195.13847	18.3
196.14116	1.0
199.63200	0.5
233.19098	0.7
237.17690	0.7
251.23692	0.5
277.15057	0.9
277.18082	18.9
277.21667	23.2
278.18442	1.9
278.22028	1.5
295.19217	8.7
295.22760	100.0
296.19666	0.8
296.23132	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09951	0.7
57.03328	0.9
58.91459	0.7
59.01250	2.1
92.09602	0.6
107.03663	0.6
109.66312	0.6
111.63897	0.6
111.72410	0.7
113.09628	3.2
177.12987	0.8
179.14359	3.0
181.12285	0.9
183.13867	3.8
195.13866	29.3
196.14191	2.0
224.46861	0.7
229.82367	0.7
233.22716	0.9
277.21732	28.4
278.22043	2.2
295.22787	100.0
296.23151	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	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82124	1.2
57.03318	1.9
59.01252	2.6
98.95485	1.4
99.08025	1.4
125.09617	1.9
127.11193	1.2
155.14391	1.4
161.80379	1.1
171.10193	50.1
183.10254	3.2
195.13873	2.0
277.21741	66.8
278.22165	6.2
288.59674	1.4
295.22797	100.0
296.23196	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.70240	0.6
54.56470	0.6
57.03304	0.9
59.01254	1.3
61.75048	0.6
86.57111	0.6
98.20551	1.9
113.09583	2.3
117.14046	0.6
179.14346	1.4
195.13855	20.4
198.10242	0.7
277.21716	19.8
278.22073	1.9
295.22787	100.0
296.23090	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01250	0.6
69.03340	0.6
83.04913	0.5
95.04923	0.6
96.95923	0.5
98.95480	1.7
109.06477	0.5
127.11201	1.0
139.24130	0.4
141.12773	8.9
155.14349	3.3
229.53389	0.4
249.22226	9.8
250.22476	0.7
277.21658	1.4
293.21362	0.5
295.22806	100.0
296.23135	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.27463	0.2
57.03330	1.2
59.01249	2.3
63.03022	0.2
69.76521	0.6
69.76936	0.7
71.01254	0.3
83.04897	0.3
89.68612	0.2
97.06477	0.6
99.08047	0.4
113.09621	3.3
169.12204	0.2
177.12764	0.6
179.14336	1.3
181.12274	0.8
195.13846	22.7
196.14197	0.9
215.12874	0.2
233.22829	0.3
251.23726	0.4
255.56602	0.2
259.20621	0.2
277.21722	20.2
278.22018	1.8
293.21219	0.2
295.22772	100.0
296.19855	0.3
296.23108	8.0
305.65115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1916
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
59.01261	5.9
71.01247	2.2
72.36236	1.1
81.03365	0.8
83.04903	3.9
96.77907	0.8
97.02851	1.1
97.06474	1.5
99.08031	5.6
101.02320	1.0
101.05979	2.5
104.58572	1.0
111.04394	1.7
113.05982	1.4
113.09618	1.0
125.09581	2.3
127.07529	1.9
137.09616	1.7
139.11237	1.3
140.08324	0.8
140.39015	0.8
151.11208	4.3
165.12772	1.7
167.14333	1.3
171.10225	1.5
181.12282	6.8
183.13835	1.3
193.12260	3.6
195.13860	7.6
209.11723	1.5
211.13260	4.9
221.15446	3.2
233.19054	5.7
240.13660	1.9
249.18796	1.8
259.17023	4.8
260.17578	0.9
267.19669	1.9
277.18094	67.1
277.21341	3.8
278.18390	5.8
295.19168	100.0
295.22699	28.3
296.19528	8.9
296.23138	3.2
308.39093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75216	1.3
54.00998	1.4
55.01747	1.8
57.03321	10.1
59.01244	5.3
69.03325	2.7
71.04906	2.4
73.02821	3.0
80.80441	1.5
81.03344	1.9
83.04903	6.4
85.02837	6.0
85.59272	1.6
93.03336	2.6
95.04906	32.7
97.02842	1.8
98.03623	3.2
107.04920	1.5
109.02837	4.8
109.06482	3.0
111.04413	23.1
111.08038	4.0
113.02374	2.9
113.05973	35.2
115.03904	6.6
120.05672	2.2
121.06472	8.9
122.03640	2.5
123.08041	7.9
124.05159	2.4
133.06514	2.2
134.03633	2.7
135.08104	3.5
137.05992	6.4
137.09619	4.1
139.07507	7.2
147.08075	2.6
149.02374	4.7
149.06030	3.2
149.09644	11.8
151.07545	3.7
152.01086	1.9
155.07019	3.4
160.01566	3.4
161.05984	1.9
163.03911	3.7
163.11180	5.4
164.04750	1.8
165.09109	7.8
171.11667	8.5
175.03908	5.1
179.07004	1.6
184.00513	1.7
189.12769	100.0
190.02644	2.7
190.13144	5.8
191.06995	2.6
193.01329	1.8
193.05032	3.5
205.04900	2.3
207.13832	9.5
208.03691	8.3
223.06104	11.6
235.06152	3.5
251.12862	95.6
252.13193	6.1
295.08624	2.7
295.11850	45.4
296.12180	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	295.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29190	1.4
55.01748	1.7
57.03326	9.1
59.01237	4.9
61.95922	1.2
67.20050	1.2
69.03304	3.3
70.41212	1.3
71.01247	2.8
71.27890	1.5
71.44273	1.3
71.44651	2.1
72.44067	1.2
73.02814	2.5
80.57755	1.3
81.03309	1.8
83.04910	6.5
85.02814	7.0
87.00760	1.4
90.94465	1.3
93.03321	4.2
94.68478	1.3
95.01257	1.8
95.04906	24.5
97.02829	2.8
97.06482	2.0
98.03609	3.1
107.04908	1.8
109.02809	4.7
109.06484	3.6
111.04402	22.4
111.08029	3.6
113.02321	2.2
113.05977	26.4
114.01863	1.3
115.03884	4.7
119.04939	1.6
121.06450	8.1
121.10148	1.5
122.03613	2.6
123.04414	1.5
123.08023	6.2
124.05193	2.2
128.03348	1.6
132.02037	1.7
133.02827	3.6
133.06479	5.2
134.03595	5.3
135.04416	2.1
135.08011	4.3
137.05919	4.4
137.09570	3.6
138.06726	2.4
139.07556	6.8
141.09103	1.8
144.90344	1.3
146.04469	3.5
147.04384	1.6
147.08038	2.7
148.05072	1.6
149.02278	4.3
149.05933	2.5
149.09630	14.1
151.03888	1.5
151.07535	2.5
152.08232	1.3
155.07016	3.7
160.01573	9.7
161.06010	14.5
163.03885	1.7
163.11171	5.0
164.04700	3.0
165.01865	1.5
165.09128	9.8
171.11702	9.5
173.09680	2.4
175.00327	1.8
175.03931	9.9
176.04613	3.8
179.07095	1.8
183.06454	2.1
187.11163	1.3
189.12781	100.0
190.02605	1.9
190.13126	6.1
191.07072	6.2
193.01363	3.5
193.04880	4.3
205.05032	3.2
207.13858	10.0
208.03719	4.0
218.08168	3.3
223.06090	12.5
233.11737	2.2
235.06143	7.7
235.08063	1.2
243.86813	1.2
251.12863	96.2
252.13199	5.1
295.08273	8.8
295.11798	51.2
295.14783	1.2
296.12125	2.7
299.03165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0936
Annotation	Medinoterb acetate
Peak:m/z	Relative Intensity
51.64836	0.5
57.62962	0.5
59.01268	2.1
65.99754	0.5
67.03318	0.5
67.50494	0.5
68.13461	0.5
68.99689	2.5
69.60540	3.8
71.01270	1.0
72.99163	0.5
78.72141	0.5
83.29327	0.5
85.02869	0.6
85.82301	0.4
88.72993	0.6
90.83610	0.5
96.95915	0.5
96.99197	2.3
96.99773	0.5
113.01115	0.6
114.01870	5.6
114.05494	21.1
122.06033	1.0
133.04001	2.8
133.04929	0.6
136.07593	4.7
137.07098	1.1
139.99825	1.9
148.06363	3.0
149.04564	0.6
149.07101	8.1
150.99142	0.5
151.08698	4.4
161.07141	0.9
162.04169	0.6
163.08682	3.6
164.07053	1.8
176.05901	0.7
177.06613	4.2
179.08247	0.6
180.06569	0.7
181.08630	6.1
189.06668	0.7
192.06461	0.6
208.06093	9.3
209.06525	0.7
217.06102	0.9
220.04852	3.7
235.07205	100.0
236.07491	4.5
271.58920	0.6
291.81891	0.5
295.09329	52.4
296.09662	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	293.2123
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03321	1.2
59.01255	2.7
62.28523	0.5
68.02436	0.6
69.03301	0.7
70.87108	1.2
71.01263	1.3
73.02807	0.6
77.08551	0.4
85.02809	0.6
95.04899	1.1
96.95906	0.9
101.02283	0.6
104.96956	0.5
111.08015	1.3
113.09621	1.4
121.02843	0.6
125.09599	0.5
131.94217	0.4
146.41930	0.4
179.14378	1.3
195.13860	17.1
196.14314	1.1
205.12279	1.3
205.15929	1.2
211.13362	1.0
221.15474	0.7
223.13358	9.9
224.13742	0.9
228.13666	1.9
231.21156	1.1
235.17014	1.3
239.12856	0.5
256.13181	2.7
265.21637	1.3
275.20157	9.9
276.20398	1.1
293.21225	100.0
294.21552	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	8-(5-Hexyl-furan-2-yl)-octanoic acid
Peak:m/z	Relative Intensity
57.03331	0.2
59.01256	1.5
62.47567	0.3
69.03308	0.3
71.01250	2.5
71.57715	0.3
71.58127	0.6
73.02798	0.3
76.08173	0.3
80.71126	0.3
81.03329	0.4
89.02343	0.3
96.95885	0.3
97.06470	0.4
101.02314	0.3
108.44999	0.3
113.09612	0.3
121.10128	1.0
122.10470	0.4
125.05931	0.3
125.09616	1.1
127.07532	0.3
127.11140	0.3
150.10393	0.5
163.11205	5.6
164.08348	0.4
164.11792	0.3
165.12750	1.0
167.10742	0.6
167.14322	0.5
171.10229	1.5
177.09184	1.2
179.14357	0.8
181.12239	0.9
183.13863	0.3
192.11519	1.9
195.13878	1.4
205.12329	1.8
207.13831	0.4
211.13327	0.5
220.14647	11.9
221.15427	21.2
222.15759	1.7
223.13361	1.1
228.13556	0.3
231.21176	0.3
235.13359	0.4
235.16898	0.3
236.10522	16.5
237.10953	1.4
249.22211	3.7
256.13327	0.3
265.21768	0.6
275.20175	3.5
276.20532	0.6
293.21234	100.0
294.18265	0.4
294.21536	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89814	0.4
54.27121	0.4
57.03313	0.7
59.01267	0.5
60.97852	0.5
69.03342	0.5
72.99197	0.7
83.04896	0.7
87.18026	0.4
87.38127	0.4
95.04893	0.7
113.09554	0.7
125.09616	0.6
127.11179	0.7
135.11678	0.5
139.11159	3.5
140.77437	0.5
153.12766	1.9
167.14270	0.5
189.16460	0.4
191.17996	3.9
221.15335	1.2
224.14207	0.9
229.19730	0.5
236.10455	0.6
245.19083	0.7
247.20641	3.2
275.20303	1.0
291.19705	0.5
293.21252	100.0
294.21585	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48496	0.6
59.01245	1.1
60.78378	0.6
69.40007	5.5
69.40411	1.2
85.90754	0.7
105.78953	0.6
113.09613	0.8
123.73033	0.7
125.68920	0.7
167.10641	0.8
179.14366	1.5
195.13853	15.1
196.14464	2.1
205.12299	1.2
205.15907	1.1
223.13376	13.7
224.13831	1.0
228.13666	2.0
231.21236	1.1
239.75296	0.7
256.13058	3.6
265.21844	0.8
275.20172	10.4
276.20352	0.9
281.67188	0.7
293.21243	100.0
294.21564	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.9
59.01257	6.1
69.40484	5.1
69.40913	5.2
71.01249	1.4
71.04894	7.5
72.91148	1.0
85.06472	1.3
89.37358	1.0
98.19811	2.5
106.33083	1.2
113.09595	1.1
164.90752	1.2
209.15436	2.6
221.15337	2.3
223.17035	9.7
224.73560	1.3
231.21103	4.0
235.17010	47.7
236.17375	2.8
275.20145	47.4
276.20496	3.3
293.09030	1.8
293.21240	100.0
294.21420	7.7
308.65637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90807	0.4
57.03307	0.9
59.01240	1.5
71.01331	1.2
97.06437	0.5
101.29373	0.4
111.08028	1.6
113.09598	1.4
114.44447	0.4
116.84407	0.4
137.02290	0.4
142.77853	0.4
143.35968	0.5
179.14308	1.1
193.15941	0.9
195.13849	13.1
196.14363	1.3
205.12283	1.0
205.15915	0.8
211.13321	1.0
220.14658	0.8
221.15344	2.1
223.13342	9.6
224.13757	1.0
228.13625	1.5
231.21097	0.5
236.10535	1.2
250.68607	0.4
256.13306	3.2
265.21713	0.6
275.20154	8.6
293.21237	100.0
294.21555	8.0
309.79153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39432	0.5
57.03319	1.6
59.01272	2.8
65.95801	0.4
69.03339	0.7
71.01247	2.3
71.04893	0.6
80.02528	0.5
83.04933	0.8
89.02322	0.8
97.06482	0.7
113.09652	0.8
123.08034	1.4
125.09622	0.4
136.08859	0.9
139.11206	1.0
141.12807	0.6
151.11238	3.0
153.09129	0.8
153.12688	1.0
167.14265	0.7
169.12283	2.7
177.09175	0.5
177.12903	0.5
192.11487	1.2
193.15929	1.9
195.13847	1.1
195.17480	1.2
197.11771	31.9
198.12137	1.5
213.14883	0.8
220.14711	3.3
221.15417	5.3
222.18587	5.6
231.21147	0.6
236.10498	3.5
249.18625	1.1
249.22165	1.1
250.21689	4.7
275.20145	16.3
276.20538	1.7
293.21225	100.0
294.21417	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.1
59.01275	2.4
68.24010	1.0
74.84875	1.1
94.87739	1.2
98.46098	1.1
121.10130	48.8
122.10435	2.3
125.09621	1.8
126.33627	1.2
143.03001	1.1
171.10199	86.5
172.10507	3.0
185.11768	3.4
197.11719	1.3
231.21233	5.1
275.20172	100.0
276.20499	8.4
293.21249	65.2
294.21564	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81610	0.6
57.03325	7.5
59.01255	2.8
71.06888	1.2
71.07235	0.8
74.49741	0.6
97.06448	1.4
109.06504	0.8
113.09614	26.4
114.09972	1.2
121.10156	1.2
125.07359	0.6
125.09592	0.7
139.11177	2.4
161.34174	0.6
167.10725	3.0
171.10220	2.6
173.67824	0.6
177.12688	0.9
179.10703	2.6
180.06229	0.6
183.46957	0.6
195.13855	3.5
230.08960	0.6
236.89610	0.5
249.22194	2.6
250.22778	0.7
251.33827	0.6
275.20200	4.4
293.21237	100.0
294.21555	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
59.01263	1.6
59.86549	0.2
69.03341	0.5
69.76634	1.3
71.01244	0.9
95.04925	0.5
97.06481	0.3
108.96313	0.3
111.08054	0.7
113.09605	1.2
113.16403	0.3
121.10151	0.4
136.08833	0.5
167.10675	0.9
171.10170	0.7
177.12750	0.3
179.14304	1.4
181.12244	0.6
192.11476	0.3
193.15863	1.5
195.13853	16.6
196.14532	1.6
205.12279	1.2
205.15981	0.8
211.13287	1.1
220.14685	0.8
221.15430	1.3
223.13373	11.6
224.13898	0.6
228.13654	1.9
231.21202	0.8
236.04437	0.3
236.10481	0.9
249.22273	0.7
256.13135	3.3
265.21732	1.0
275.20166	10.6
276.20569	1.0
277.22668	0.3
293.21243	100.0
294.21588	8.1
301.64191	0.3
309.04889	0.3
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	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03313	1.8
59.01247	1.8
68.02415	0.5
70.69720	1.6
71.01259	1.4
93.44454	0.5
97.06487	1.2
110.71723	0.4
111.08071	0.7
113.02303	0.4
113.09588	1.9
121.10128	0.4
123.08035	0.5
125.09616	0.9
139.68941	0.4
141.12668	0.5
154.05197	0.5
162.24777	0.4
167.10709	0.5
171.10220	0.6
177.12752	0.7
179.14348	1.4
185.11743	2.7
195.13828	12.3
196.14235	0.5
197.11687	0.9
205.12314	1.1
205.16002	0.6
211.13362	0.6
221.15488	0.7
223.13351	6.9
228.13528	1.1
231.21118	0.6
249.18481	0.8
249.22197	0.8
256.13162	2.1
265.21713	0.7
275.20166	7.8
293.21219	100.0
294.21576	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48795	0.4
59.01244	0.4
65.96523	0.3
70.47303	1.0
71.00906	0.5
71.01260	8.3
82.12983	0.4
108.42663	0.3
127.07577	0.8
143.40669	0.4
148.05188	2.0
151.07509	0.4
160.74881	0.4
164.08325	2.3
171.10168	0.5
177.09132	6.9
192.11499	8.2
193.12050	0.5
195.13882	0.8
205.12296	9.9
206.12677	0.6
207.13773	0.7
217.08649	0.6
218.09430	1.7
218.93488	0.4
220.14642	49.9
221.15419	100.0
222.15776	6.5
235.13344	1.0
236.10513	65.0
237.10881	3.6
275.20200	0.7
293.17654	5.3
293.21268	6.7
294.17911	0.4
294.21439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.4
59.01237	0.7
60.33389	0.5
64.18230	0.6
68.12269	0.6
70.15108	2.6
97.06461	1.2
98.19835	0.7
115.11262	0.5
123.08064	0.8
125.09635	4.2
127.07525	0.5
141.12755	1.0
149.09634	2.3
183.13843	1.4
185.11774	8.5
195.13834	0.8
197.11783	2.3
220.14505	0.7
221.15396	1.0
223.13391	1.2
225.60101	0.6
249.22162	1.3
265.21463	0.7
275.20120	2.8
279.41190	0.5
293.21237	100.0
294.21545	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.62088	0.4
57.03315	1.1
59.01245	1.6
68.02415	0.8
69.03306	0.5
71.01280	0.4
71.04880	0.5
71.57172	0.4
71.57666	0.5
83.04913	0.9
93.03359	0.5
93.06990	0.5
95.04893	0.7
97.06470	0.8
106.86313	0.4
107.04949	0.5
109.06521	0.7
111.08051	1.8
113.50350	0.4
119.04916	1.6
119.63839	0.4
121.10095	0.9
123.08051	0.7
123.86770	0.4
125.09617	1.1
135.04442	0.5
135.08180	0.4
137.09581	0.5
139.11143	0.9
149.09592	0.5
151.11200	0.7
161.09576	0.4
163.11176	1.1
165.12782	3.7
179.14235	0.6
181.12297	0.5
185.11780	1.0
197.11830	1.0
207.13881	0.7
209.11749	0.5
211.13297	0.8
217.15999	0.9
221.39513	0.4
229.19615	1.1
245.19154	0.6
247.20650	3.9
263.20166	23.0
264.20499	2.2
273.18625	6.2
286.63138	0.4
291.19675	100.0
292.20010	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.1
67.47256	0.8
69.97002	4.5
71.01243	1.1
82.02888	1.4
85.02828	1.0
89.02305	0.9
93.03324	2.4
96.04388	0.9
102.05493	28.2
113.02421	0.9
117.03347	4.2
119.04924	100.0
120.05247	3.9
128.03438	41.0
128.04211	0.7
129.01848	0.9
129.03603	0.8
130.08672	1.9
145.01677	1.4
145.02855	32.0
146.04498	78.1
147.04785	1.9
149.02306	1.8
162.05469	1.8
163.03934	16.8
172.02393	2.1
174.05515	1.0
176.03432	3.2
179.52304	0.9
188.07104	1.1
188.09134	2.1
196.88568	0.9
202.08661	6.5
204.10268	3.2
218.04530	1.1
230.08151	3.6
238.27415	0.8
248.09189	4.8
274.07205	8.0
275.07574	1.6
292.08307	20.7
300.11227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86864	0.5
57.03323	2.5
59.01252	0.8
69.03332	0.8
70.21599	0.4
70.26052	1.0
70.26453	1.1
74.43148	0.5
81.27764	0.5
83.04902	0.8
87.19243	0.4
93.06983	1.5
97.06464	2.7
98.19884	0.7
101.34792	0.4
108.15286	0.5
111.08067	0.7
113.30580	0.4
121.09271	1.0
121.10126	15.5
122.10429	0.8
123.08055	1.9
124.21466	0.4
125.09622	8.9
126.09932	0.5
127.11176	0.9
141.12766	1.5
147.08098	1.1
151.11171	0.8
165.12769	0.5
171.10251	0.7
171.91803	0.4
185.11771	16.8
186.12048	0.6
197.11794	3.9
209.11763	2.0
211.13350	1.8
223.13297	0.9
229.19617	0.6
247.13321	0.5
247.20668	3.1
263.20175	1.4
273.18567	3.4
291.19681	100.0
292.20010	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03326	2.0
59.01256	3.0
60.20327	0.4
64.31355	0.4
70.02213	2.3
71.04907	2.5
83.04900	1.3
83.22887	0.5
84.67204	0.4
86.15643	0.4
95.04905	1.4
97.06483	0.9
97.25260	0.4
111.08054	15.4
113.09630	0.6
119.20567	0.4
123.08038	0.5
137.09615	1.1
139.11169	0.5
149.09590	0.7
167.10742	2.5
177.12711	2.4
179.10699	2.0
195.13855	9.2
227.47618	0.5
244.39691	0.5
247.20688	4.1
273.18570	2.1
291.19681	100.0
292.20041	8.3
296.55765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
95.04868	0.9
98.19811	1.6
109.99522	0.8
111.70567	0.7
119.04929	0.9
148.08813	1.1
163.11301	0.9
165.12779	20.5
166.13080	1.5
191.14392	1.0
199.20241	0.8
247.20671	11.3
273.18597	6.8
280.52289	0.8
291.19684	100.0
292.20053	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	291.197
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.71255	0.4
58.06771	0.3
60.05784	0.3
70.15163	1.6
73.02826	57.5
74.03167	0.7
75.07608	0.4
78.94290	0.4
98.20456	0.5
126.92209	0.4
128.13605	0.3
175.14587	0.4
291.19678	100.0
292.20044	10.2
292.23306	0.7
293.46460	0.4
299.64883	0.3
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	9-OxoOTrE
Peak:m/z	Relative Intensity
57.03331	1.7
59.01238	1.0
67.05383	0.4
70.69775	0.9
70.70103	0.4
71.85367	0.4
74.96904	0.4
75.58224	0.3
79.15141	0.4
80.80782	0.3
83.04855	0.5
88.15693	0.4
93.06978	1.3
94.69536	0.3
95.04920	0.6
97.06455	1.4
99.08022	0.4
111.08049	1.8
118.86914	0.3
121.10123	11.8
122.10428	0.4
123.08022	1.1
125.09622	6.3
137.09619	0.4
139.11163	0.4
141.09244	0.4
141.12735	1.2
147.08080	0.7
151.11092	0.3
165.12753	0.5
167.10713	0.7
167.14342	0.6
171.10190	0.5
185.11758	14.9
186.12038	0.5
193.15863	0.4
195.13820	1.1
197.11798	4.1
209.11801	1.9
211.13322	1.7
223.13324	1.0
247.13339	1.0
247.20656	1.6
263.20111	2.1
273.18515	2.2
291.19666	100.0
292.19986	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	291.197
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.87129	1.2
52.93414	1.3
59.01257	4.5
71.01264	2.4
73.02824	3.5
81.96915	1.5
97.06476	100.0
98.06823	3.5
121.02827	1.6
123.32463	1.5
135.04453	1.5
176.76645	1.5
181.12355	1.5
183.13907	6.7
193.12273	30.8
194.12862	2.9
211.13359	77.6
212.13629	6.7
229.19751	2.1
263.20197	4.7
264.20700	1.8
273.18665	5.0
291.19696	81.8
292.20087	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
57.03332	1.9
58.00468	2.8
59.01251	4.0
71.01237	1.2
73.02821	14.7
79.95621	1.2
80.30665	1.2
83.04892	2.6
84.02036	5.9
85.02827	1.8
87.91085	1.2
88.90264	1.1
95.04891	1.6
97.06479	3.7
98.19801	4.2
109.06476	1.8
111.08057	3.9
119.04909	1.7
121.02886	3.4
121.10125	3.6
125.05979	2.5
125.09626	3.8
127.07534	1.2
127.11163	1.9
135.04352	1.4
139.07558	1.7
139.11179	2.5
141.12796	2.0
153.12682	1.1
155.14410	1.5
163.03987	1.4
165.12706	2.7
167.14467	1.4
177.12759	1.6
185.11794	3.3
193.15810	1.4
195.13809	1.2
205.19592	1.3
211.13335	1.8
229.19432	1.9
230.25804	1.4
235.17107	2.2
243.61871	1.2
247.17113	3.3
247.20648	6.4
255.21089	1.5
261.22226	2.2
263.20123	8.2
263.23770	5.4
265.53091	1.1
273.18600	15.0
273.22220	13.4
274.18948	2.2
274.22232	1.4
291.19656	100.0
291.23288	54.6
292.19998	8.7
292.23691	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	291.124
Annotation	Asperentin
Peak:m/z	Relative Intensity
53.68871	1.3
54.05281	1.2
59.01252	2.6
69.03316	3.9
71.04892	4.3
71.57969	2.6
81.03352	1.3
81.96448	1.3
93.03326	3.5
95.04941	3.1
97.02796	1.5
97.06481	17.1
107.04890	2.1
112.05167	1.4
119.04918	14.6
121.02866	5.4
121.06526	2.4
123.08057	15.4
129.43916	1.8
133.06482	1.5
135.04405	16.2
135.08086	1.8
137.05978	2.1
145.02870	2.1
145.06487	7.6
146.03697	2.0
147.04433	41.7
147.08043	4.7
147.11711	1.3
149.05991	13.1
149.09625	7.5
151.07553	4.1
158.50351	1.6
159.08038	2.4
160.08823	2.6
161.02368	2.1
163.03925	7.9
163.07654	2.2
165.01860	3.7
165.05521	3.6
173.13300	1.8
175.03931	33.0
175.07581	6.8
177.12775	25.0
189.12744	3.1
191.14302	10.5
193.12305	3.5
201.12762	5.2
203.14317	11.5
204.07880	4.7
207.13832	13.5
209.15378	2.9
218.12970	9.7
219.06647	1.6
219.13863	77.8
220.14186	2.8
229.12296	7.1
233.11856	4.5
235.13374	14.8
245.11833	1.7
247.13379	100.0
248.13696	7.6
263.12878	34.8
263.15738	2.1
264.13351	2.5
291.12469	25.4
291.15808	2.2
291.19528	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	289.1811
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.04847	0.2
53.38146	0.1
59.01250	2.4
66.65120	0.1
69.86733	0.9
71.01243	0.4
80.02550	1.6
81.03332	1.0
83.04898	0.7
83.27609	0.2
95.04898	1.2
97.06475	0.4
106.04118	2.0
106.48101	0.2
107.04923	0.8
109.06479	12.3
109.80717	0.2
110.06812	0.2
111.08040	2.8
117.06963	0.2
118.58563	0.2
119.04900	0.4
119.08556	0.5
120.05681	0.6
121.06475	0.7
121.10105	0.3
123.08045	2.6
127.07524	0.2
129.09088	0.5
131.04846	0.2
133.10114	0.4
135.04497	0.2
135.08066	1.0
137.09636	1.3
141.09067	0.3
143.10672	2.1
145.06497	4.2
147.08040	0.4
149.09628	2.2
151.11185	1.4
159.08061	0.8
161.09628	0.5
163.11227	0.9
167.10689	2.5
173.09662	0.3
175.11278	0.3
177.09164	0.3
177.12744	0.3
179.10713	1.3
181.12274	1.1
191.14342	0.3
193.12267	0.2
195.13771	0.2
203.14474	0.2
205.12204	0.2
215.14391	0.7
216.15128	0.4
217.15869	0.5
227.17950	0.3
229.16000	0.4
243.17554	0.4
245.19086	7.8
246.19420	0.7
259.13361	0.4
261.18561	0.5
271.16992	2.0
272.17407	0.2
273.14990	1.2
287.16498	3.6
288.17059	0.2
289.18091	100.0
290.18436	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	289.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.4
59.01257	2.9
69.90769	0.7
69.91074	2.3
71.01247	0.6
71.04891	1.3
80.02551	1.1
81.03318	0.8
83.04892	1.0
89.65162	0.4
95.04896	1.6
97.02825	0.5
97.06420	0.4
106.04154	1.8
107.04914	1.2
109.02837	0.5
109.06482	16.7
111.08054	2.5
111.44128	0.4
119.04906	0.5
119.08511	0.8
120.05716	0.9
121.06480	1.0
121.10095	0.6
123.04436	0.6
123.08086	2.4
129.09143	0.4
135.08058	1.3
137.09628	1.5
143.10693	2.1
145.06525	3.3
149.09653	2.1
151.07315	0.4
151.11192	1.6
159.08119	0.7
161.09589	0.5
163.11177	0.9
167.10684	1.7
177.09146	0.9
177.12741	1.1
179.10690	1.4
181.12297	0.6
191.14386	1.2
233.15443	4.0
243.17526	0.6
245.19078	9.6
246.19536	0.6
269.15979	0.5
271.17020	2.3
273.14954	1.1
287.16623	3.6
289.18109	100.0
290.18478	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	289.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95508	0.3
53.63802	0.3
57.03329	0.8
59.01249	1.3
64.32570	0.4
65.03833	2.2
68.89748	0.3
70.60312	1.1
78.64131	0.3
83.04887	0.5
95.86986	0.3
97.06464	2.5
106.04141	0.7
109.02845	0.3
109.06492	1.0
115.58580	0.3
118.84090	0.3
119.08559	100.0
120.08891	4.5
120.27401	0.3
121.10112	0.5
123.08064	1.7
125.09619	18.3
135.04404	0.4
145.06535	0.4
159.08075	1.1
160.08855	1.2
161.06064	0.6
201.12918	0.4
217.74551	0.4
227.18159	0.7
230.16829	0.4
233.15437	5.0
234.15929	0.5
245.19057	1.6
271.16989	1.3
289.18109	74.4
290.18457	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	289.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72950	0.8
51.84389	0.8
53.13932	0.8
57.03318	8.1
59.01239	2.5
60.82875	0.8
66.27885	0.9
69.03308	1.7
69.64102	0.8
72.99171	2.5
80.02531	1.2
81.03340	5.6
82.86746	0.8
83.01259	7.7
93.03330	4.2
95.01247	1.1
95.04903	10.3
97.02250	1.5
97.02825	16.2
105.03304	0.9
106.01589	0.8
108.02047	2.5
109.02838	62.2
110.03146	1.6
111.04395	1.0
111.64252	0.8
113.05949	0.9
114.57966	0.8
121.02845	6.7
122.03621	3.0
123.00758	1.3
123.04409	43.5
124.04719	1.2
125.02339	40.8
126.02686	1.3
135.04404	5.8
136.04820	0.8
137.02345	21.6
138.03043	1.7
139.03894	10.0
145.02852	2.9
146.03641	2.8
147.04437	2.0
149.02338	8.9
150.03156	2.2
151.03926	23.8
157.06511	1.0
158.03543	0.9
159.04413	6.7
160.05180	4.4
161.02327	1.9
161.05992	11.7
162.03128	3.7
163.03885	2.6
164.01068	7.8
165.01831	10.2
166.02612	1.4
167.03419	4.2
173.04539	0.8
173.05980	2.5
174.03139	2.0
175.03915	6.5
175.07558	5.1
177.05542	2.0
179.03430	15.8
180.03925	1.2
185.06006	2.3
187.03938	13.1
188.04678	9.3
190.25032	0.8
199.07565	1.5
201.05472	1.3
202.06317	6.0
203.07063	33.6
204.07361	1.2
205.05013	22.8
212.04736	1.8
217.08582	1.2
221.08138	10.6
227.07014	4.7
228.07468	1.2
230.05878	2.0
231.03026	1.0
245.08163	45.9
246.08461	2.4
247.06133	1.8
271.06158	2.7
289.07178	100.0
290.07477	7.6
305.35672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Peak:m/z	Relative Intensity
57.03323	10.7
58.16161	1.7
69.03338	2.2
69.48785	7.5
69.49212	6.5
72.99181	3.0
76.24449	1.5
80.02551	2.1
81.03335	11.9
83.01269	14.2
93.03349	4.6
95.01241	2.4
95.04914	14.6
95.98949	1.6
97.02835	31.3
97.03463	2.4
99.04416	2.5
104.51855	1.5
109.02840	100.0
121.02855	12.0
122.03609	2.5
123.04415	72.1
124.04753	2.5
125.01443	3.0
125.02341	57.4
128.59425	1.7
135.04463	8.1
137.02348	32.1
138.03102	4.1
139.03922	14.1
143.04909	2.6
145.02831	4.9
146.03644	5.8
147.04343	3.4
149.02347	14.1
150.03099	4.3
151.03926	39.5
159.04430	10.1
160.05174	5.6
161.02344	3.6
161.06013	16.7
162.03143	5.8
162.06313	2.1
163.03937	4.2
164.01074	14.8
165.01860	15.4
167.03375	5.0
173.05940	4.7
174.03127	2.6
175.03964	10.3
175.07570	7.6
177.05496	3.8
179.03412	16.9
185.06006	5.8
187.03944	15.5
188.04704	14.5
199.04051	2.2
199.07623	1.7
201.05455	2.3
202.06180	9.1
203.07082	49.2
204.07497	2.6
205.04980	25.1
212.04779	2.3
217.08647	2.9
221.08138	15.4
227.07117	9.4
245.08173	37.2
246.08528	3.8
247.06017	2.4
271.06152	3.1
289.07190	81.6
290.07504	5.4
295.26074	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	288.1609
Annotation	Mesembrine
Peak:m/z	Relative Intensity
58.75866	0.3
59.01247	0.9
81.03332	1.1
84.60500	0.3
92.04945	1.3
93.03334	2.1
107.03646	0.3
108.02061	0.6
108.04446	4.1
109.02160	0.4
109.02850	4.9
109.06430	0.4
109.71564	0.3
119.08564	0.9
119.57560	0.3
124.01559	0.4
134.02382	45.4
135.03206	8.5
136.03949	41.3
137.02361	2.3
137.04269	1.4
148.03952	1.3
149.04749	1.4
161.09587	0.3
170.98257	0.3
176.03465	5.6
176.07108	0.4
177.04201	0.8
181.03731	0.4
190.05061	0.7
204.06538	0.5
245.19144	0.6
257.31390	0.4
288.16071	100.0
289.07315	0.4
289.16354	5.2
289.18378	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	287.223
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
55.06438	0.3
57.03314	0.4
58.92703	0.3
59.01252	0.3
70.00872	1.0
70.01278	0.7
75.71108	0.3
81.04447	1.0
85.14595	0.3
87.92346	0.3
97.13290	0.3
98.19969	0.4
99.08040	1.1
101.02303	0.4
104.65471	0.3
111.08045	0.3
125.02335	0.5
129.09108	0.9
141.12749	2.0
150.91930	0.3
155.14314	1.1
178.14377	0.3
241.21701	1.1
243.17540	1.1
256.12268	0.4
267.19678	0.4
269.21213	4.0
285.20758	1.9
287.16769	2.5
287.22284	100.0
288.22617	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	287.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.9
59.01266	1.9
59.99914	0.3
69.03347	0.6
69.23386	2.4
69.23804	1.2
71.01265	0.6
75.00789	0.3
80.15336	0.3
81.04488	0.4
89.02332	0.9
91.03891	2.0
93.12004	0.3
95.04883	0.5
96.05277	0.4
97.06493	2.7
115.94015	0.3
119.04948	0.5
121.35954	0.3
125.02354	1.4
134.86160	0.3
135.04395	0.7
137.02332	1.1
151.00308	0.5
151.11205	16.6
152.11539	0.6
169.12267	100.0
170.12604	4.9
175.03874	0.6
195.10228	4.3
201.05473	0.3
213.11279	21.3
214.11627	1.1
215.07054	0.4
225.05580	0.4
243.02995	0.5
246.34299	0.3
259.06097	0.5
269.04694	0.4
287.01871	0.7
287.04959	1.9
287.10233	0.6
287.15009	13.7
287.22217	3.1
288.15488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0564
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03323	16.0
63.02266	4.4
63.48941	0.7
64.24767	0.6
65.00199	7.9
78.95786	0.8
81.03321	3.2
83.01262	12.8
93.03347	3.3
95.01276	1.3
107.01270	6.5
107.04894	1.1
109.02837	2.5
111.00771	1.1
111.12508	0.6
117.03326	1.0
121.02831	1.1
122.88657	0.6
123.04399	2.2
124.01572	3.7
125.02340	100.0
126.02689	2.7
130.04166	1.1
131.04961	2.2
133.02875	2.7
134.03633	1.4
135.04410	2.6
145.02939	0.8
145.06537	0.7
149.05969	0.7
151.00273	11.7
152.01068	7.6
153.01843	3.1
156.05670	1.0
157.06480	1.7
159.04433	2.0
161.02374	0.7
165.01822	0.8
169.01347	1.1
169.06456	0.8
171.04346	0.8
172.05196	1.8
173.05975	6.2
175.03886	1.0
176.01180	0.7
177.04048	1.2
177.05501	14.5
178.05768	0.9
178.99794	6.8
187.07507	0.8
197.05931	1.1
197.11783	3.2
199.03961	0.7
199.07608	2.5
200.04665	1.1
201.05513	9.8
203.03252	1.1
213.05450	1.4
215.07082	5.2
216.07260	0.6
219.06644	2.4
225.05276	0.6
241.05070	1.9
243.06599	13.4
243.08978	1.0
244.06969	1.0
259.06104	71.8
260.06467	5.9
269.04639	3.8
287.05618	41.7
288.05994	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	286.239
Annotation	Prosopinine
Peak:m/z	Relative Intensity
55.44359	0.4
59.01250	0.9
69.24565	4.8
69.91119	0.3
70.02859	1.2
74.05976	2.0
81.04491	0.4
86.14147	0.4
92.61280	0.4
98.20620	0.7
115.79498	0.4
117.06979	1.6
118.04996	1.1
125.02319	0.8
165.45425	0.4
176.94746	0.4
203.78767	0.5
205.40431	0.4
240.23297	3.6
241.23625	0.5
242.21202	1.4
242.25081	0.5
268.22791	1.0
286.23880	100.0
287.16559	1.3
287.24249	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32517	0.4
59.01234	0.7
65.00215	0.5
67.45880	0.4
71.01589	1.2
85.29427	0.5
93.15580	0.5
107.01324	1.0
112.39058	0.4
120.44278	0.5
121.02810	0.4
132.02101	0.5
133.02832	1.7
139.76988	0.4
151.00304	0.8
167.14322	1.0
177.94553	0.4
183.13844	7.3
184.04727	0.7
186.02798	0.6
193.12302	2.3
211.13347	100.0
212.04381	0.5
212.13708	5.3
227.03453	1.5
228.03819	7.2
229.04254	0.5
255.03148	0.9
256.03320	11.2
257.03888	1.0
284.26746	0.6
285.03842	22.3
285.17264	0.8
285.20731	2.5
285.27155	1.0
286.04163	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	286.0724
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
53.76086	0.4
54.31263	0.3
59.01232	0.5
67.01765	0.6
71.49619	0.7
78.95772	1.4
81.03332	1.4
81.04464	0.6
90.03384	0.9
91.04142	3.5
92.04942	19.1
93.03331	0.4
95.01276	1.5
100.73806	0.3
107.01291	1.4
108.02048	1.1
109.02842	62.2
110.03197	2.2
118.02879	4.2
120.04454	13.9
122.06013	0.7
123.00781	2.8
125.02357	3.5
132.04459	4.4
134.02396	4.3
135.00824	4.7
135.02074	0.5
135.03160	12.8
150.05522	72.1
151.05905	2.2
211.03972	2.3
212.13690	0.5
226.05095	2.1
254.04639	2.2
286.07224	100.0
287.07587	7.1
287.16501	0.7
287.22333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36898	0.3
59.01260	0.5
69.03323	0.3
69.22672	0.6
69.23081	3.6
73.43917	0.3
89.02310	0.4
107.01275	0.4
108.24189	0.4
117.52887	0.3
133.02837	0.3
143.77733	0.3
150.37518	0.3
151.00325	0.4
165.12701	0.6
167.14420	0.4
183.13838	8.9
184.14149	0.5
193.12227	2.4
211.13351	100.0
212.13692	5.7
241.09857	0.6
245.21909	0.4
285.04028	6.4
285.27292	0.4
286.04318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46054	1.2
63.93528	1.2
70.40682	1.2
70.80171	1.5
70.80511	2.7
78.95777	47.3
96.96841	100.0
98.19912	1.3
100.43330	1.4
108.02056	63.7
109.02876	10.8
110.61765	1.3
121.57801	1.1
127.37777	1.3
152.01062	34.2
152.02316	1.7
153.01859	13.5
186.83020	1.3
284.26773	4.9
285.06235	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	285.077
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
65.00198	1.9
66.00982	0.2
70.07078	0.5
70.07488	0.5
78.95760	0.2
91.01761	0.7
93.03336	0.5
95.01285	0.4
106.00479	0.6
107.01246	1.1
109.31284	0.2
119.04922	100.0
119.84734	0.2
120.05257	3.6
121.02841	2.3
123.00809	1.2
124.01631	0.2
145.02824	0.2
149.99503	15.4
151.00293	3.7
164.01077	0.6
165.01852	6.0
168.00554	0.8
169.01340	2.2
177.43382	0.2
177.72221	0.2
183.02919	17.9
184.03302	0.8
185.59225	0.2
211.13489	0.4
270.05344	9.5
271.05722	0.5
285.07678	23.9
286.08020	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0617
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
55.43309	1.1
60.72697	1.4
71.11685	1.7
71.12031	2.9
74.31034	1.3
78.95781	1.9
96.96873	7.1
97.24851	1.3
108.02055	100.0
109.02891	11.8
113.04486	1.3
136.07161	1.7
152.01060	67.4
153.01851	30.2
196.45552	1.4
284.26813	8.3
285.06189	56.7
285.27017	2.2
286.06656	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	285.0617
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
55.18424	0.6
69.40955	5.2
71.01247	3.0
81.03334	1.7
87.00755	0.7
96.96851	2.0
100.03957	1.4
108.02056	100.0
109.02866	18.8
113.07031	0.7
114.05525	0.7
121.02869	1.1
122.03644	1.6
123.04427	0.8
128.03439	0.8
135.00832	0.7
142.16106	0.8
145.08293	0.7
151.03909	1.5
152.01065	68.9
153.01852	41.4
153.03688	0.9
154.02209	1.2
155.02158	0.5
155.11736	1.1
163.03868	1.5
165.01840	1.6
213.08887	0.9
229.32234	0.7
241.11926	0.6
260.75311	0.6
267.09775	0.7
285.06168	65.4
285.11145	2.2
286.06384	3.8
300.54230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59502	0.2
56.95655	0.2
59.01247	0.2
63.02264	1.7
65.00201	1.0
65.03827	0.5
67.01746	0.2
79.01761	0.4
83.01276	1.2
85.02814	0.2
89.03822	0.2
91.01778	1.3
91.05374	0.2
93.03337	5.9
93.94633	0.2
94.03679	0.2
95.01276	0.5
98.16617	0.2
107.01276	3.8
108.02061	0.6
109.02853	2.2
117.03342	2.6
119.01285	0.6
119.04941	0.3
123.00726	0.3
130.04149	0.7
131.04942	1.5
133.02847	0.6
135.00783	2.1
137.02336	0.9
141.06992	0.5
143.04939	4.0
145.02928	1.1
145.06491	0.7
148.01622	0.2
151.00282	1.5
153.01854	1.0
154.04181	1.1
155.04990	1.1
156.05737	0.9
157.06520	2.7
158.03650	0.3
159.04413	4.9
160.04883	0.2
161.02339	0.6
161.05901	0.2
163.00293	3.8
164.01050	0.5
165.01839	0.7
167.04958	1.7
168.05513	0.4
169.01401	0.4
169.02818	0.3
169.06525	1.6
170.03583	0.3
171.04478	2.1
173.02393	0.6
173.05991	0.6
174.03101	0.3
175.04025	0.3
182.03642	0.6
183.04466	2.7
184.05077	1.0
185.02405	0.4
185.06017	5.8
186.02798	0.5
186.06355	0.5
187.03943	8.4
188.04269	0.7
189.05499	1.8
191.03444	0.2
192.00520	0.3
195.04378	1.0
196.05249	0.5
197.06038	1.6
197.11790	1.6
198.03139	0.5
199.03874	1.1
201.05559	1.8
202.05780	0.2
211.03960	4.3
211.13306	0.7
212.04436	1.3
213.01952	0.3
213.05508	4.0
214.02596	0.8
214.05949	0.2
215.03473	0.7
223.03951	0.5
226.02647	0.2
227.03465	6.0
228.03801	5.9
229.05031	21.7
229.41223	0.2
230.05363	1.4
239.03488	2.8
240.04196	1.2
241.05037	2.7
243.02974	1.0
255.02948	1.7
256.03384	8.8
257.04544	9.9
258.04913	0.7
264.58151	0.2
267.03009	1.7
268.03717	0.3
284.26755	0.6
285.04013	100.0
286.04385	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92585	0.2
59.01239	0.2
63.02269	1.8
65.00188	1.2
65.03823	0.3
67.01745	0.2
68.99700	0.3
71.57320	0.3
79.01772	0.5
83.01273	1.1
84.58417	0.2
91.01774	1.4
93.02756	0.4
93.03340	6.3
95.01266	0.4
107.01266	4.6
108.02058	0.7
109.02850	2.3
115.05427	0.3
117.03348	2.2
118.03669	0.2
119.01286	0.8
119.04903	0.4
121.02860	0.4
123.00778	0.6
130.04117	0.7
131.04926	1.4
132.02090	0.3
133.02852	0.6
133.06459	0.3
135.00792	2.3
137.02316	0.9
141.03349	0.2
141.06985	0.9
143.04927	4.5
145.02905	1.2
145.06519	0.9
151.00276	1.5
152.85413	0.2
153.01866	1.1
154.04126	1.3
155.04948	0.9
156.05736	1.3
157.02844	0.4
157.06496	2.7
158.03683	0.9
158.06891	0.2
159.03160	0.3
159.04433	5.1
160.04820	0.2
161.02341	0.7
163.00288	4.2
164.00862	0.6
165.01860	1.1
167.04953	2.2
168.05702	0.4
169.01431	0.4
169.02777	0.5
169.06532	1.8
170.03722	0.3
171.04436	1.8
173.02373	0.5
173.05975	0.6
174.03177	0.4
175.03947	0.3
182.03659	0.8
183.04446	2.5
184.05122	1.2
185.02440	0.4
185.06029	6.8
186.02972	0.4
186.06305	0.3
187.03941	8.3
188.04320	0.6
189.05527	2.2
190.99802	0.3
191.03465	0.2
192.00589	0.3
195.04424	1.6
196.05156	0.8
197.06023	2.1
197.11838	0.4
198.03078	0.5
199.03946	1.5
201.05513	1.8
210.03137	0.4
211.03946	4.7
211.13383	0.6
212.04536	1.4
213.05528	3.7
214.02579	0.9
214.05875	0.2
215.03494	1.0
223.03978	0.6
224.04662	0.3
226.02629	0.3
227.03465	7.0
228.03825	6.4
229.05032	22.1
230.05341	1.8
238.19855	0.2
239.03482	2.7
240.04129	1.5
241.05022	3.1
243.03082	0.9
243.05145	0.2
255.03024	2.3
256.03372	10.8
257.04562	10.9
258.04913	0.7
267.02924	1.6
268.03726	0.4
284.26639	0.4
285.04016	100.0
286.04379	8.8
288.79709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0407
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.03057	0.3
55.82504	0.3
56.76821	0.3
63.02266	1.2
65.00188	1.2
65.45813	0.3
67.01759	0.3
76.48564	0.3
83.01250	1.2
89.28491	0.3
90.17709	0.3
93.03329	3.3
95.01221	0.3
104.12856	0.3
106.70549	0.3
107.01276	1.8
108.02070	0.5
109.02822	0.8
109.93716	0.3
110.62292	0.3
117.03353	1.0
123.00759	0.3
123.04404	0.5
129.39459	0.3
130.04150	0.4
133.02847	1.0
135.00806	0.8
136.01456	0.3
137.02303	0.7
139.44449	0.3
143.04932	1.0
145.02838	1.3
151.00244	1.8
154.04158	1.1
155.04892	0.8
156.05766	0.3
157.02965	0.5
157.06528	0.6
159.04446	1.4
161.02351	0.7
163.00308	0.9
164.01059	0.7
167.04994	0.7
168.05692	0.4
169.01314	0.6
169.06540	1.1
171.04446	1.2
173.02374	0.7
173.06027	0.3
175.04012	0.5
175.10396	0.3
183.04482	0.5
183.13852	0.8
184.14333	0.3
185.06099	2.1
187.03957	1.8
195.04503	0.5
197.06007	0.4
199.03893	0.4
201.56969	0.3
211.04008	1.5
211.13351	10.4
213.05446	0.9
214.02626	0.6
215.03462	0.6
217.05011	0.3
220.09361	0.3
227.03474	0.5
229.05048	2.2
239.03474	1.6
240.04025	0.3
241.04950	0.5
243.02988	0.8
250.27596	0.3
255.03044	0.7
257.04443	1.0
268.03894	0.3
284.26788	0.8
285.04065	100.0
286.04404	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	285.0406
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.16050	0.1
53.17015	0.1
53.41919	0.1
57.44542	0.1
58.77541	0.1
63.02271	1.2
65.00194	4.0
69.30055	1.3
81.03322	0.2
83.01260	2.1
93.03333	0.4
95.01292	0.1
95.04881	0.2
98.19836	0.2
105.03339	0.8
105.61607	0.1
107.00529	0.3
107.01271	6.3
109.02879	0.2
119.04918	9.8
120.05263	0.4
121.02835	1.7
132.02113	0.5
133.02850	32.7
134.03174	1.3
139.03928	0.2
143.04947	0.4
145.02847	0.2
147.04471	0.4
148.01602	0.1
149.02357	4.0
149.99513	1.4
150.02687	0.2
151.00279	10.5
152.00632	0.3
165.01859	0.5
167.04912	0.1
169.01352	0.5
169.06546	0.5
171.04417	0.7
173.02342	0.2
173.06062	0.2
174.03156	0.2
175.03929	6.0
176.04245	0.2
177.01840	0.2
183.02905	2.3
183.04510	0.2
185.06001	0.7
187.03975	0.3
189.05544	0.5
197.06023	0.6
198.03125	0.9
199.02112	0.2
199.03944	4.1
200.04315	0.4
201.01872	1.8
201.05545	0.2
211.03984	0.4
211.13353	0.3
212.04663	0.2
213.05527	1.0
214.02649	0.4
215.03500	0.8
217.05014	2.6
218.05316	0.2
223.03943	0.6
224.04630	0.2
226.02765	0.2
227.03438	0.2
229.05028	0.6
239.03499	0.3
240.04301	0.2
241.05028	1.8
242.02156	0.2
243.02950	1.4
257.04556	0.8
267.03003	0.7
270.05322	0.9
284.26895	0.3
285.04047	100.0
286.04395	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	284.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61699	0.2
63.02265	0.3
65.00201	1.1
69.34114	2.2
74.22354	0.2
83.01258	0.6
95.01257	0.3
107.01280	3.9
108.02067	0.7
115.57113	0.2
120.02071	0.4
125.08308	0.2
127.94396	0.2
131.24797	0.2
132.02065	4.5
135.00792	3.1
141.03226	0.2
141.62703	0.2
143.04950	0.3
147.04471	0.2
151.00291	1.5
155.04912	0.6
158.03596	0.3
159.04492	0.3
163.00352	1.2
164.01106	1.1
167.04926	0.7
168.30902	0.2
169.02863	0.3
171.04375	0.5
175.04007	0.2
182.03653	1.0
183.04468	7.5
183.13808	0.5
184.04776	0.5
185.02396	4.2
187.03954	1.3
190.99789	0.4
195.04555	0.3
199.03914	1.6
200.04620	0.4
209.00877	0.3
210.03120	0.8
211.03947	5.9
211.13354	8.4
211.15422	0.4
212.04340	0.6
213.01878	2.1
226.79260	0.2
227.03461	68.7
228.03827	4.7
239.03410	0.9
255.02979	100.0
256.03439	10.1
257.04031	0.4
283.02463	0.8
283.26431	12.0
284.03265	86.4
284.26779	4.9
285.03741	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	285.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61120	0.4
59.01242	0.9
63.02264	2.2
65.00198	1.7
70.34551	1.9
72.99187	0.8
80.18662	0.4
83.01250	1.2
84.44424	0.4
91.01766	0.8
93.03344	4.3
107.01272	5.4
108.02071	0.7
109.02847	1.4
117.03346	1.7
119.04921	0.7
131.04936	1.1
132.02036	0.7
133.02870	6.4
134.03235	0.6
135.00769	1.8
135.04402	0.6
137.02350	1.2
142.58151	0.4
143.04953	3.0
145.02863	1.2
145.06441	0.5
149.02347	0.7
151.00302	4.1
153.01820	0.9
156.05713	0.5
157.06491	1.6
159.04417	4.0
161.02399	1.1
163.00311	2.7
165.01845	1.0
167.04926	1.2
169.01390	1.1
169.06516	1.8
171.04417	1.6
171.10179	0.6
173.05936	0.5
175.03850	0.9
182.03674	0.6
183.04395	1.8
184.05023	0.9
185.06017	3.7
187.03938	5.7
189.05505	1.2
192.66183	0.4
195.04504	1.0
197.06035	0.9
198.03197	0.6
199.03961	2.2
201.05586	1.0
211.03954	3.2
211.13397	0.7
212.04417	1.3
213.05522	2.7
214.02589	0.6
215.03470	1.0
217.04948	0.7
227.03474	4.6
228.03798	5.3
229.05031	14.3
230.05353	0.8
239.03506	1.1
240.04225	1.6
241.04880	2.2
243.03053	0.9
255.02985	1.4
256.03369	8.6
257.04541	7.8
267.03021	0.7
284.26807	1.5
285.04019	100.0
285.27020	0.7
286.04349	7.1
295.18774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
56.29936	0.4
56.58972	0.4
56.80618	0.4
56.99122	0.4
70.90170	1.0
87.98571	0.4
106.04189	0.4
107.04919	100.0
108.05248	3.3
147.08049	0.6
163.11211	94.6
164.11551	4.7
170.36557	0.3
172.94191	0.4
183.72490	0.4
202.88101	0.4
283.17053	82.8
283.26413	26.6
284.17374	7.4
284.26794	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.025
Annotation	Lupinalbin A
Peak:m/z	Relative Intensity
58.02849	3.2
59.01270	0.9
59.03175	0.4
63.02267	4.6
65.00194	5.1
67.22758	0.4
69.03371	0.4
69.55441	2.2
69.55867	1.3
71.01265	1.9
71.04882	0.8
73.02822	2.0
79.41547	0.4
83.01271	1.5
86.70440	0.4
88.03918	9.1
89.00209	0.4
89.03738	0.4
89.04268	1.9
91.01819	1.2
93.03342	2.7
101.02348	0.4
107.01269	3.7
113.13257	0.5
115.00272	1.9
117.03353	14.8
118.03703	1.0
123.04430	1.5
129.03366	0.5
132.02928	0.8
133.02895	0.6
135.00809	1.8
137.43124	0.4
141.03377	4.7
143.04893	0.7
145.02888	0.5
147.04482	0.6
151.00288	2.0
154.04169	1.4
155.04950	4.5
159.04427	4.8
160.04752	0.6
164.96019	0.4
165.12883	0.5
167.04973	0.9
167.10719	1.2
167.12570	0.4
168.11050	1.8
169.01489	0.5
169.02899	1.1
171.04407	2.1
173.06046	0.5
182.03656	5.6
183.04451	19.7
184.04822	1.3
185.02373	4.0
187.03946	1.4
197.02275	0.4
199.03949	1.5
209.11839	2.2
210.03140	0.9
210.16156	0.4
211.03949	7.9
226.02632	1.9
227.03436	6.6
239.14754	1.3
239.20184	1.0
255.02969	80.2
256.03317	5.2
268.03839	0.5
282.01694	0.8
282.13416	0.5
283.02475	100.0
283.13467	3.5
283.19531	1.1
283.26413	49.8
283.99915	0.7
284.02832	8.9
284.26697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	27.9
59.01257	4.7
63.02266	3.1
65.00198	1.3
70.02833	1.3
71.00890	1.1
71.01256	13.5
71.34834	1.2
83.01245	0.7
86.05997	1.8
88.03915	100.0
89.04242	1.3
93.03323	1.5
96.99178	3.8
98.54325	0.6
107.01281	1.8
114.01865	2.3
114.99467	1.3
115.00259	21.3
117.03344	8.3
132.02939	5.9
135.00752	0.7
136.54294	0.6
141.03362	2.1
141.80179	0.6
151.00230	0.8
155.04936	1.8
159.04401	1.9
166.12286	11.2
167.10690	24.6
168.11041	1.3
171.04431	1.2
182.03621	2.4
183.04469	9.6
185.02325	1.9
211.03944	4.9
220.13412	2.7
227.03587	3.0
238.14456	19.9
239.14822	1.2
255.02966	43.1
260.23529	0.6
264.12537	3.1
282.10303	1.5
282.13464	39.8
283.02481	53.9
283.13785	2.5
283.26398	17.0
283.29468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89760	0.4
59.32220	0.3
59.52684	0.3
66.00848	0.8
69.97673	0.6
69.98086	1.0
72.47124	0.3
76.03650	0.3
82.03988	1.1
83.82581	0.3
89.40994	0.4
90.32558	0.3
107.03524	4.1
108.01928	4.5
126.02990	8.9
133.01463	28.2
134.01878	0.3
150.04126	100.0
151.02475	1.0
151.04575	2.5
219.29807	0.3
236.33725	0.3
262.01334	0.3
282.08463	24.3
282.96774	0.3
283.08694	1.7
283.26437	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	279.1968
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
55.75866	2.5
59.01245	8.4
71.01266	3.9
71.57886	2.6
72.40385	2.6
83.79362	2.3
85.02799	2.5
85.38589	2.3
104.85584	2.3
107.08549	41.0
122.41866	2.5
171.10191	85.5
185.11729	6.4
217.19600	7.9
235.16969	4.7
237.05858	2.7
261.18597	100.0
262.18903	6.5
279.16571	4.3
279.19626	60.1
279.23206	20.0
280.19940	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
69.51501	3.0
75.04053	0.4
98.19839	1.0
112.32085	0.4
112.71251	0.5
261.22336	0.7
279.23297	100.0
280.23633	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	281.2124
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
51.42656	0.6
52.62102	0.7
59.01251	4.6
70.87402	1.8
71.01259	1.1
83.04899	1.1
95.20674	0.6
97.06507	0.8
99.08029	4.1
152.38379	0.7
179.14355	1.2
186.01241	0.6
195.13847	24.1
196.14099	1.4
245.18608	0.7
263.20135	23.6
264.20468	1.7
281.21234	100.0
281.24509	5.4
282.21536	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.3
64.62975	0.2
67.69424	0.2
69.40936	1.3
69.41344	0.4
71.01252	0.7
73.04562	0.2
80.79486	0.2
83.04861	0.3
90.65476	0.2
98.36041	0.2
100.41850	0.2
123.62337	0.2
127.07529	0.5
148.74820	0.2
187.48920	0.2
205.15889	0.3
233.22719	0.8
259.20724	0.7
275.19986	0.4
277.21716	100.0
278.22058	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.5
66.02169	0.3
69.26334	2.3
69.26752	0.7
71.01258	0.9
73.02830	0.4
83.04878	0.4
95.04838	0.3
98.19828	0.6
105.03339	0.3
121.02837	0.3
123.81242	0.3
133.02843	2.5
134.11436	0.3
177.01855	0.5
205.12161	0.3
205.15889	0.6
233.18958	0.5
233.22702	0.7
259.20831	0.5
262.12137	2.2
268.17950	0.3
275.19983	0.4
277.18369	6.2
277.21722	100.0
278.18909	0.4
278.22076	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.60610	0.7
59.01253	0.9
69.87329	3.4
85.87334	0.6
98.20537	1.1
117.89466	0.6
132.18277	0.7
183.17236	0.7
259.20837	0.6
277.21725	100.0
278.22067	8.0
282.19489	0.7
294.47943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1662
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
56.28460	0.5
59.01030	0.8
59.01352	4.7
59.47348	0.5
71.01351	0.8
73.02914	0.5
73.28606	0.5
88.15794	0.4
98.20548	1.7
106.77200	0.5
121.03194	5.6
146.99411	0.6
147.08392	4.9
149.00960	0.7
158.17052	0.6
165.00381	11.5
180.99979	1.7
183.01517	1.1
189.04019	2.5
191.05582	10.6
192.05806	0.7
205.07248	1.7
205.15985	1.6
207.05138	1.3
231.08743	2.1
233.10321	100.0
234.10486	9.0
259.15585	0.8
277.16544	81.8
277.21420	28.8
278.16693	8.4
278.22006	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	275.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70909	0.7
59.01253	4.8
60.18559	0.7
69.40527	6.5
71.01234	0.9
131.09576	0.7
166.55708	0.7
177.16382	3.3
231.21111	9.5
257.19366	0.8
275.20160	100.0
276.20456	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	275.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03623	0.6
55.68916	0.5
59.01258	6.1
60.70716	0.6
70.61401	0.7
70.61745	2.0
71.01244	1.0
74.80499	0.6
79.95610	1.3
80.96400	1.2
89.71207	0.6
119.04874	1.2
120.91071	0.5
177.16382	2.3
189.44243	0.8
200.65819	0.6
210.38210	0.6
231.21132	9.3
232.21570	0.9
233.15442	0.7
275.20163	100.0
276.20483	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	275.2017
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.81229	11.4
59.01250	14.2
85.96266	10.2
98.83246	9.9
113.36629	9.9
119.04914	11.1
129.59401	10.5
136.20990	9.4
156.54262	14.5
218.53439	12.2
229.67416	12.7
231.21104	100.0
266.36618	9.9
275.17136	15.5
275.20178	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1515
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
55.94135	0.3
58.78260	0.2
62.42139	0.2
66.65207	0.2
68.49619	0.3
69.88899	1.7
70.82513	0.3
82.49501	0.3
90.98438	0.4
98.20462	0.4
117.03400	0.4
119.04916	100.0
120.05252	4.1
131.05592	0.2
138.06717	0.3
145.02890	0.3
160.03972	0.3
191.11815	0.5
233.12898	10.1
234.13286	0.6
258.12479	0.6
275.15131	16.2
276.15387	1.1
290.65594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1516
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
54.12505	0.3
59.01252	0.4
66.84191	0.2
71.01257	0.5
71.11387	0.5
71.11745	0.2
72.00768	0.3
89.02317	0.3
92.04948	0.6
93.03361	0.7
116.04943	0.8
119.04919	100.0
120.05257	4.1
122.63137	0.3
132.05667	0.4
137.30872	0.3
138.06635	0.5
144.04349	0.4
152.07042	0.3
160.04063	0.4
162.05464	0.4
169.07640	0.2
191.11798	1.0
215.08311	0.7
233.12904	10.5
234.13255	0.7
258.12405	0.5
275.15112	14.1
276.15341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0614
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
50.42955	0.6
57.03338	0.6
63.02272	14.3
65.00200	24.7
67.49658	0.6
68.99676	0.5
83.01264	15.2
93.03341	16.5
96.32565	0.5
98.19744	1.1
107.01278	34.6
109.02835	0.7
109.77850	0.5
117.03318	1.0
119.04924	99.0
120.05222	3.9
121.02804	0.9
125.02366	3.0
143.04912	1.7
145.02863	1.9
151.00282	78.7
152.00621	2.7
161.06003	1.9
165.01875	3.8
169.01357	7.8
177.01863	12.0
185.06036	1.7
187.03951	3.3
197.11760	0.5
207.50494	0.5
227.07050	1.4
229.05078	0.6
229.44928	0.7
253.05025	0.6
258.02396	0.6
271.06134	100.0
271.22809	1.2
272.06485	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	271.228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10223	0.5
59.01252	0.9
73.34441	0.5
83.98396	0.5
99.47758	0.5
108.02074	0.7
116.39158	0.5
125.02331	1.8
141.01532	0.5
211.20671	1.5
225.22206	1.3
230.24446	0.6
241.04962	0.7
253.21663	1.4
256.07199	0.8
269.21356	0.7
271.02521	0.7
271.08182	0.8
271.22791	100.0
272.20242	1.0
272.23080	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	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01752	0.3
71.00229	0.8
72.99165	0.3
109.02882	0.3
125.02370	0.4
197.19054	1.8
221.19014	0.6
223.20645	4.3
224.20958	0.5
225.22202	66.0
226.22543	4.3
253.21683	1.5
269.21146	0.4
271.22787	100.0
272.23129	8.0
280.43164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
53.93198	0.3
59.01241	0.3
97.09867	0.3
98.20555	0.7
108.02064	0.4
125.02332	0.9
225.22206	4.9
253.21748	1.1
269.21280	1.0
271.22797	100.0
272.23126	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	269.1911
Annotation	Salvirecognine
Peak:m/z	Relative Intensity
52.49803	0.3
57.03316	0.6
59.01243	0.6
81.03316	0.3
95.04897	1.0
115.05412	0.5
125.12707	0.3
131.04909	0.6
133.06496	7.6
145.06506	0.4
186.95552	0.6
235.14839	0.5
237.12813	5.2
238.13078	0.7
239.14331	0.6
239.17862	0.4
242.09357	0.4
251.14268	0.4
251.18030	3.6
251.20268	0.5
252.18353	0.3
253.15889	0.7
267.17538	12.4
268.17850	1.1
269.19067	100.0
269.25027	2.1
270.19397	9.3
283.17029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0247
Annotation	Rheoemodin
Peak:m/z	Relative Intensity
55.87036	0.2
57.03335	0.2
60.31195	0.2
63.02273	0.7
65.00212	0.6
71.58057	0.3
82.52534	0.2
86.10860	0.2
87.64515	0.2
89.00226	0.2
91.01781	0.3
95.01255	0.3
104.79580	0.2
107.01283	0.7
109.02838	1.5
114.45536	0.2
115.05445	0.4
116.53775	0.2
117.03373	0.3
119.01296	0.3
127.05434	0.6
129.03374	0.3
131.04913	0.6
133.02843	3.7
135.00812	0.3
140.62268	0.2
143.04953	2.8
145.02864	0.7
147.04414	0.8
151.00272	0.7
153.03285	0.2
154.04150	0.3
155.04955	1.5
157.02898	2.2
159.04430	0.8
161.02332	0.5
163.03923	0.8
163.45610	0.2
169.02875	0.4
171.04451	5.0
172.04861	0.2
173.02379	1.6
175.03961	2.0
182.03618	0.4
183.04489	1.3
185.02344	0.9
187.03932	2.9
197.02383	0.6
198.03191	1.6
199.03963	9.0
200.01178	0.3
200.04277	0.6
201.01903	2.9
202.02510	0.6
203.03426	2.9
213.01866	0.3
214.02702	0.7
215.03484	6.8
216.03831	0.3
225.01924	0.4
226.02652	1.3
227.03456	6.8
228.03828	0.3
229.01379	3.1
242.02179	2.3
243.02972	9.4
244.03265	0.6
253.01437	0.5
255.02974	0.8
270.01666	0.4
271.02490	100.0
272.02890	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	269.1295
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
58.98576	0.4
59.01236	0.5
62.96274	1.3
66.32244	0.4
70.10071	0.8
70.10478	1.7
72.91328	0.4
93.11204	0.5
111.40392	0.4
116.07794	0.4
119.14985	0.5
120.04409	0.5
148.07544	0.7
197.07069	0.7
210.07643	0.5
210.09331	1.0
211.08698	13.8
211.13443	0.4
212.09109	0.9
225.10266	16.7
225.22266	0.4
226.10622	2.4
238.07358	0.7
239.08226	8.7
240.08760	0.9
241.13446	1.1
248.19337	0.5
253.09744	4.2
254.10591	45.8
255.10886	3.9
269.12949	100.0
269.21213	8.1
269.24728	2.5
270.13339	8.6
272.83469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18657	0.3
52.30189	0.2
52.96573	0.3
57.28200	0.2
69.24979	3.0
69.65846	0.3
89.03827	0.5
89.54765	0.2
91.01770	7.8
91.02325	0.4
98.19826	0.5
105.03361	0.5
115.01820	0.3
119.04908	0.6
132.02069	1.8
133.02853	83.9
134.03166	3.1
135.00780	8.7
153.01848	9.4
154.02162	0.4
169.06493	0.5
180.23509	0.2
196.05255	0.4
197.06041	0.9
201.05528	1.9
213.05574	0.6
224.04803	1.6
224.95470	0.3
225.05353	3.2
226.02718	0.6
227.03442	2.4
240.04262	0.6
241.01390	0.3
241.04994	1.7
247.07750	0.3
251.03357	0.4
255.06529	0.7
269.04547	100.0
269.21185	2.7
269.24622	0.5
270.04874	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	267.0721
Annotation	formycin b
Peak:m/z	Relative Intensity
51.05722	2.1
57.03310	7.2
57.67925	1.9
59.01248	32.6
65.18205	2.2
68.48066	2.0
70.33083	8.8
71.01254	44.5
72.99194	5.3
73.02792	3.5
75.00758	16.1
78.30373	1.9
83.01237	2.3
85.02342	3.9
85.02827	42.1
87.00748	15.5
89.02331	11.3
95.01265	7.0
99.00763	12.5
101.02290	3.8
103.00254	4.9
113.02337	51.3
117.91842	2.1
129.01849	2.6
131.03470	2.5
162.28893	2.2
174.06538	2.2
180.62752	2.4
200.38220	2.0
207.04980	2.5
213.21324	2.1
249.06087	5.0
249.94125	2.4
249.96794	2.5
267.07211	100.0
268.07532	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	267.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	6.3
57.03315	10.9
59.01257	67.5
71.01261	100.0
71.56715	7.0
71.57101	5.3
72.99181	9.9
73.02827	20.6
75.00754	15.3
83.01279	9.7
85.02835	51.7
86.12508	4.4
87.00759	17.0
89.02330	45.2
92.02497	4.0
95.01250	7.7
99.00778	19.6
101.02325	65.0
105.05483	15.7
113.02339	69.0
119.03400	14.1
135.03062	20.8
159.02863	7.8
161.04478	27.5
175.02420	5.0
219.97087	4.6
237.08780	4.6
249.06313	4.4
267.07257	62.4
267.10788	18.8
268.07684	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	267.072
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01763	3.4
57.03321	8.4
58.00467	3.1
59.01250	42.0
64.68881	1.9
69.03329	2.1
69.10288	1.7
69.10963	2.1
71.01253	61.9
71.34505	3.3
71.34822	3.0
72.99189	8.6
73.02826	3.2
75.00747	25.2
76.36129	2.1
85.02820	60.3
85.89761	1.8
87.00749	26.0
89.02303	15.7
91.03905	4.8
92.77371	2.1
95.01251	13.2
99.00764	16.0
101.02348	3.3
103.00259	4.0
105.03364	2.6
113.02329	81.8
115.00278	3.3
117.01826	4.8
129.01869	3.9
131.03389	2.8
132.02074	2.9
133.02850	34.1
134.03612	14.5
149.04555	2.0
149.05928	10.2
157.01332	2.5
160.01579	16.5
166.82462	1.7
175.02480	4.6
175.03871	19.1
177.01884	10.6
179.03473	2.9
193.04977	12.0
194.33632	1.9
207.05049	3.3
249.06102	7.6
252.06366	27.3
261.92789	1.9
267.06934	100.0
268.07529	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	267.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.4
57.03320	7.6
58.00467	1.6
59.01251	36.7
68.99693	2.1
70.57252	3.6
71.01255	55.4
72.01576	1.2
72.99179	5.9
73.02824	2.2
75.00747	24.7
83.01252	1.2
84.02039	1.2
85.02824	58.5
86.03173	1.2
87.00748	22.3
89.02322	15.4
91.03880	1.9
95.01266	9.2
99.00752	13.8
99.17544	0.8
101.02343	1.8
103.00256	5.0
112.01520	1.2
113.02332	67.0
114.02670	1.3
115.00233	2.3
117.01818	6.2
129.01828	3.9
131.03366	1.6
149.04478	1.3
157.01251	1.6
175.02388	2.9
201.40906	0.9
207.05046	2.6
224.35168	1.0
249.06131	7.8
267.07205	100.0
268.07611	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0722
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01746	1.7
57.03328	6.3
57.63957	0.8
57.91709	0.6
58.00470	1.8
59.01254	39.2
60.01563	0.7
70.59060	2.2
71.01256	49.6
72.99184	5.4
73.02824	2.6
74.98300	0.7
75.00750	17.7
75.62823	1.0
83.01254	2.9
84.02040	0.9
85.02828	40.2
86.03194	0.8
87.00753	17.4
89.01821	1.3
89.02322	15.9
91.03857	1.5
95.01269	8.3
99.00761	11.0
101.02319	6.9
103.00266	3.0
105.05427	1.1
111.00758	1.0
112.01571	0.9
113.02337	58.6
114.02683	1.1
115.00249	1.8
117.01811	3.2
119.03425	0.7
129.01822	3.7
131.03378	1.0
135.10953	0.8
138.06755	0.7
149.04417	1.1
151.02547	6.8
157.01387	1.2
161.04497	2.5
175.02408	2.3
205.07045	1.5
207.05042	2.1
249.06044	5.3
267.07220	100.0
268.07593	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	265.1809
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
59.01243	4.3
71.58102	1.3
78.57333	1.0
78.95774	3.0
83.04890	2.2
96.95875	1.3
113.09572	0.9
113.53088	1.0
127.40748	0.8
146.21135	1.0
167.10707	3.0
169.53741	1.1
195.13853	11.2
196.14142	1.4
203.17979	1.3
221.15504	1.4
221.19159	1.2
223.13310	9.3
235.16966	2.4
237.18555	3.3
247.13341	1.2
247.17023	14.2
256.13239	1.1
257.84448	1.0
265.18097	100.0
265.21545	4.9
266.18408	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	265.2175
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
51.08324	0.4
51.11217	0.4
53.20453	0.5
59.01241	0.8
59.04449	0.5
61.67479	0.4
70.89455	1.2
72.55541	0.4
85.10233	0.4
96.95897	8.4
101.72701	0.4
103.60744	0.4
147.54330	0.5
265.14935	5.1
265.21729	100.0
266.22061	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	265.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02597	0.2
57.15462	0.3
59.01241	0.3
78.06117	0.3
79.95612	2.4
95.95159	0.8
96.95898	100.0
97.95895	0.3
107.97737	0.3
131.00188	0.3
151.78720	0.3
208.38353	0.2
209.80577	0.3
265.14795	67.9
266.15128	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	265.181
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
53.13980	1.8
57.03315	1.7
57.05441	1.7
59.01257	8.8
69.03324	2.2
70.77861	5.0
71.01271	2.7
93.06985	17.8
93.09390	2.1
96.95900	2.1
113.67284	1.8
123.04395	2.1
125.09631	3.7
127.11148	2.5
149.13327	2.9
159.66275	1.6
171.10194	86.2
172.10542	4.5
181.12299	4.2
185.11719	9.7
203.18010	14.9
221.19196	1.8
237.18353	1.7
247.17030	100.0
248.17287	5.2
265.14789	5.1
265.18103	88.2
265.21640	9.2
266.18369	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1445
Annotation	Rugosal A
Peak:m/z	Relative Intensity
57.03320	2.1
59.01237	3.0
65.03835	10.0
67.01755	1.8
69.03314	1.6
71.01261	9.3
71.57495	1.8
81.03337	30.1
83.04900	30.6
85.02804	2.4
93.03336	16.6
95.04901	7.8
106.04097	1.9
108.02007	3.6
109.02850	9.1
109.06482	4.4
110.03643	6.0
111.04411	73.8
112.04742	2.7
121.02844	3.6
121.06488	1.5
123.04401	3.2
125.09625	1.5
139.11186	8.9
153.09041	1.6
155.10667	4.0
171.10222	4.0
177.12788	9.1
182.68257	1.4
183.10315	2.6
193.12408	1.8
193.15918	11.9
201.11241	1.9
203.14236	2.6
219.13936	9.3
221.11803	19.3
222.12053	1.8
227.28584	1.6
227.56891	1.7
237.14934	100.0
238.15251	7.9
247.13417	19.7
265.14447	98.0
265.21671	2.3
266.14816	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	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67164	1.9
58.00469	3.8
59.01254	100.0
71.01260	62.5
71.01665	3.1
71.56602	2.1
71.57008	2.7
72.99191	6.3
73.02833	2.8
83.01267	3.1
85.02838	15.6
89.02321	62.6
95.01274	5.1
98.14637	2.0
101.02332	37.4
113.02346	24.3
115.50481	1.9
119.03396	27.2
131.03320	2.3
254.92502	2.3
265.09232	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	264.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54880	0.7
56.47243	0.8
59.01247	1.4
62.98220	0.6
71.57767	1.1
72.99171	1.1
77.33038	0.6
80.56459	0.7
82.02840	0.7
85.02827	1.3
87.50298	0.6
91.00430	0.6
91.05420	0.9
100.03945	0.9
102.05488	68.1
103.05833	1.7
121.02792	0.8
128.03430	62.6
129.03790	0.8
134.03604	1.3
135.04427	3.8
146.04497	100.0
147.04808	2.2
170.18445	0.8
178.02681	0.7
193.05028	3.0
205.04993	0.7
220.09888	1.0
221.08098	0.8
246.07774	0.9
247.24680	0.7
264.08691	10.7
265.09106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.7
62.35545	0.5
67.28904	0.5
70.74058	1.8
73.16618	0.6
74.02304	0.7
84.04414	1.3
84.63074	0.5
91.05418	2.4
102.05489	76.0
103.05829	1.3
128.03430	61.1
129.03798	1.2
134.03612	1.1
135.04396	2.6
146.04495	100.0
147.04897	2.6
152.67827	0.5
178.02669	0.7
193.04993	1.6
220.09758	0.9
221.08131	0.6
264.08774	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	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
52.73210	0.2
53.34249	0.3
55.78430	0.2
59.01250	1.7
71.01231	0.9
74.46738	0.2
78.71440	0.3
118.33857	0.3
118.34618	0.2
127.07576	0.3
142.85779	0.3
148.38997	0.3
175.03958	0.2
182.11887	0.3
188.92120	0.3
219.21132	0.9
245.19154	0.7
261.18564	0.6
263.20166	100.0
264.20514	10.4
264.23361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	2.6
57.03315	8.2
59.01255	2.7
61.34494	2.5
69.03322	7.3
70.02871	17.2
71.01239	7.6
71.26830	5.3
72.99208	3.0
84.57952	2.8
85.02820	77.2
86.55970	2.4
87.04378	7.4
90.20837	3.1
94.02879	3.2
96.00774	4.3
96.04423	100.0
97.02816	11.9
98.02349	4.3
99.00746	8.8
111.04404	3.6
113.02357	2.9
114.05546	2.4
115.03893	4.7
126.05525	3.2
128.03415	8.4
129.00920	3.6
129.01785	16.8
138.05544	4.8
140.03427	4.1
141.01842	4.4
142.01369	44.7
144.02936	3.2
158.04459	12.8
172.02419	7.1
182.04509	3.6
262.05725	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	262.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43709	1.8
57.03334	5.2
59.01252	5.8
68.01308	2.6
69.03339	6.7
69.07413	1.8
70.02856	14.3
71.01267	6.0
71.56281	2.8
74.02357	2.1
81.03333	2.4
83.01237	1.8
85.02827	67.9
87.04401	7.3
93.03325	2.4
94.02886	2.6
96.00798	3.7
96.04433	100.0
97.02849	10.8
98.02379	4.5
99.00774	6.6
103.00307	2.1
105.00034	3.1
108.04443	2.1
110.02432	2.9
111.04419	4.0
112.03928	5.2
113.02318	2.0
114.01829	2.8
115.03897	5.1
121.41839	2.6
128.03450	7.7
129.01852	16.9
131.03427	1.8
138.05560	2.8
140.03448	3.4
141.01889	4.1
142.00269	2.5
142.01369	46.9
156.06557	3.8
158.04520	18.0
159.02942	2.6
172.02409	4.0
178.77763	2.0
180.06500	2.3
202.03494	5.4
262.02051	3.0
262.05795	4.8
262.09033	2.0
263.05756	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	259.0224
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
58.02844	0.5
59.01249	1.8
66.90744	0.4
70.48477	1.5
71.01252	4.0
72.00742	0.6
72.99177	1.5
73.02831	0.6
74.02345	2.1
75.00761	0.7
78.95779	100.0
82.02873	0.7
83.01269	0.7
84.04362	0.5
85.02842	1.5
87.00773	0.9
87.05511	3.2
89.02324	0.6
94.02871	0.7
96.00792	1.3
96.04447	1.9
96.96844	63.0
97.02844	0.6
98.02363	1.1
99.00771	1.1
101.02309	0.8
112.03914	1.5
113.02355	0.8
113.03464	1.0
114.01839	1.0
118.02919	0.5
124.03925	0.5
126.01864	0.6
129.01805	0.5
131.04491	0.7
136.03937	1.0
138.01837	0.7
138.78151	0.5
138.97945	3.1
154.05031	0.9
156.02942	0.6
157.03642	0.5
168.99004	1.1
169.06036	0.7
189.03996	0.9
197.05669	0.5
199.00137	1.3
213.05136	3.7
222.50668	0.4
241.01086	0.8
241.04594	0.7
242.02925	0.5
259.02237	18.8
259.05310	0.9
260.04208	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	257.1757
Annotation	Tetradecanedioic acid
Peak:m/z	Relative Intensity
56.11293	0.5
57.03312	0.7
59.01241	0.8
71.03616	1.3
79.08352	0.5
83.04903	0.6
112.14584	0.5
138.56276	0.5
167.14331	1.1
169.15855	1.6
183.17538	0.7
195.13876	0.8
197.15488	1.0
203.97253	1.0
211.16969	1.9
213.14912	11.2
221.15506	0.8
227.16483	1.7
237.14864	0.6
239.16501	7.9
255.16039	3.9
257.17578	100.0
258.17911	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	259.0224
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
50.51090	0.2
50.64257	0.2
58.02852	0.4
59.01247	0.7
62.96264	0.2
67.47987	0.2
68.40768	0.2
70.70260	0.4
70.70618	0.5
71.01255	1.8
72.99178	0.8
74.02338	0.4
75.00758	0.2
78.95778	100.0
85.02832	0.4
87.05515	0.5
96.00794	0.3
96.04415	0.3
96.96843	54.6
99.00778	0.2
101.02312	0.3
104.30099	0.2
110.02357	0.3
112.03916	0.2
113.03465	0.5
114.01860	0.4
118.02898	0.3
126.01886	0.2
127.03878	0.2
127.05055	0.2
131.04546	0.5
138.01825	0.3
138.97916	3.0
150.97954	0.3
156.02896	0.4
168.99014	0.7
179.02939	0.2
189.04057	0.4
197.05760	0.2
198.90427	0.9
199.00101	1.1
213.05081	0.3
214.93617	0.5
216.90356	0.2
240.91612	0.7
241.01134	0.6
258.92578	0.9
259.02243	22.5
260.02451	0.4
260.04532	0.2
261.76736	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55006	17.9
50.58555	15.4
59.01250	56.4
65.70327	15.9
69.73123	100.0
69.81212	16.3
98.20544	23.6
100.52493	15.7
109.31443	14.6
114.20683	16.0
124.51065	17.2
129.28563	18.1
150.19406	17.4
244.12910	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	253.2172
Annotation	Hexadecenoic acid
Peak:m/z	Relative Intensity
73.25265	29.2
97.53822	26.5
98.20547	85.7
106.60475	30.8
118.99809	27.6
138.86333	28.0
253.21713	100.0
272.06558	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0678
Annotation	Posoquenin
Peak:m/z	Relative Intensity
53.29333	0.5
71.57190	0.6
71.57621	0.7
124.07484	0.9
130.65768	0.6
168.05515	1.1
168.10162	1.3
214.06158	37.6
215.06441	2.3
256.23608	1.9
257.06772	100.0
257.23877	1.3
258.07074	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	253.0928
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.35681	8.0
58.86742	7.4
59.01250	100.0
66.59793	8.4
67.16669	8.3
71.01263	13.2
71.32054	21.7
89.02341	14.9
95.81840	8.8
96.65908	8.0
99.08107	7.2
101.02332	18.7
103.02408	8.1
103.52845	8.0
157.04572	8.3
161.04424	15.4
193.07164	12.6
253.09157	14.3
254.90016	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	253.0928
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
59.01254	100.0
68.68182	4.8
70.10247	4.7
71.01259	15.1
71.15196	10.8
71.93414	4.5
72.92525	5.2
85.02823	7.9
87.04391	7.5
89.02327	14.8
100.20164	4.9
101.02319	13.4
106.54478	4.5
111.59534	4.7
121.02836	5.6
151.58276	5.7
161.04471	8.1
179.06970	4.8
193.07080	15.8
199.06413	5.0
209.09764	5.1
231.44881	5.3
253.09251	9.6
253.21648	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	251.2017
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01256	0.7
71.01246	0.7
101.02320	0.8
131.62704	0.5
154.12881	0.5
210.94966	0.6
217.71831	0.6
226.39778	0.5
229.63322	0.6
233.19257	0.5
251.20154	100.0
252.20505	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	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.58670	0.3
57.33101	0.4
59.01250	2.4
61.97820	0.3
69.60220	1.3
69.60653	1.3
73.02840	0.3
74.84353	0.3
102.37560	0.3
131.37064	0.3
205.15906	0.7
205.19495	1.2
231.17392	1.0
247.16948	0.4
249.18573	100.0
250.14549	7.3
250.18881	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	247.1703
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
51.66587	0.1
69.41267	1.0
69.41676	0.2
75.69054	0.1
77.14388	0.1
84.30229	0.1
98.20511	0.2
107.01437	0.1
121.02808	0.2
151.10823	0.1
169.11845	0.1
173.08170	0.1
181.24057	0.1
184.00066	0.2
190.24260	0.1
205.15947	0.4
209.97314	0.1
220.17023	1.5
231.13907	0.6
247.17020	100.0
248.17360	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	249.1495
Annotation	Sch 601254
Peak:m/z	Relative Intensity
51.38000	1.1
57.03330	2.1
58.94332	0.9
59.01259	13.4
69.03332	49.9
69.85364	7.0
71.01252	2.1
71.04882	1.8
81.03361	1.1
83.04890	3.5
89.35741	0.9
95.04935	5.7
97.06457	1.9
106.04092	1.7
107.08557	1.6
111.08024	2.4
112.24956	1.1
119.04880	1.9
121.06535	2.1
121.10114	1.0
133.10013	1.1
134.07283	2.3
135.08002	1.5
137.09543	1.6
149.09689	1.2
149.13275	4.2
151.11198	2.8
153.09148	1.3
161.13242	2.3
167.10689	5.6
171.10121	1.6
179.10722	2.3
187.14836	6.2
188.15312	1.3
193.12296	10.1
205.12296	10.7
205.15945	15.3
206.12611	1.9
206.16330	1.3
221.15425	23.0
222.15787	1.1
231.13892	38.2
232.14188	4.0
232.91081	1.1
244.86069	1.1
249.14954	100.0
250.14746	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	245.0431
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
57.03315	2.0
59.01264	8.6
71.01258	8.8
71.56535	2.5
72.99186	3.8
78.95780	100.0
80.96394	3.1
83.01311	1.9
85.02842	7.6
86.00410	1.7
87.00764	7.0
94.97967	5.5
96.95891	15.8
96.96855	6.2
99.00744	2.0
101.02335	7.2
103.00274	1.9
110.02392	2.5
111.00751	4.1
113.02319	3.0
114.01878	1.8
115.00249	2.2
119.03379	6.4
125.02410	3.2
129.01843	2.8
134.81699	1.7
139.00288	1.9
142.01352	2.2
148.77959	1.8
152.99513	69.3
156.51718	1.9
171.00580	29.6
227.02339	1.8
242.68373	1.8
243.60107	1.8
245.04369	58.7
246.06334	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	245.0928
Annotation	N-Acetyl-L-tryptophan
Peak:m/z	Relative Intensity
58.02851	24.9
59.01247	4.9
66.44551	1.5
68.50810	1.2
69.57433	6.9
69.57859	3.7
70.02859	15.7
72.00788	6.9
72.04427	2.6
73.15998	1.2
74.02348	100.0
78.95775	3.8
85.02810	1.7
94.61491	1.3
96.96839	3.5
97.62685	1.3
98.02360	22.9
116.03439	29.0
116.04939	36.1
117.05289	1.9
120.04902	1.9
130.06514	4.9
142.06528	9.0
159.09166	5.1
173.60179	1.3
183.09113	1.9
185.57076	1.3
186.05554	1.9
201.10281	6.1
201.73466	1.4
203.08208	77.8
204.08542	6.8
209.11810	1.8
245.00906	1.5
245.09283	57.7
246.09546	4.9
263.33075	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	5.2
69.03320	3.0
71.01276	3.8
93.99730	3.2
98.19768	7.2
99.00731	3.8
107.86448	3.1
110.02377	4.9
123.58849	3.3
181.15877	3.6
183.13853	12.4
211.13345	100.0
212.13622	8.3
225.11330	6.8
243.02950	5.9
243.06476	3.7
243.12349	9.1
243.16028	9.1
259.28442	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	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03312	0.9
59.01234	1.0
61.91617	0.5
69.35506	5.1
71.01275	0.5
71.04897	3.6
83.04893	1.2
85.73869	0.5
97.02822	3.9
97.06479	1.6
99.00763	18.2
100.01088	0.6
109.06487	1.1
110.03608	1.5
119.26307	0.5
123.08067	0.6
125.09623	5.3
134.74280	0.5
135.08041	0.7
136.05211	1.0
138.47296	0.5
142.02628	1.7
153.12770	0.9
155.14319	1.4
163.11230	6.2
164.11508	0.6
181.12273	18.7
182.12595	1.4
197.11752	1.6
199.13344	19.5
200.13637	1.1
207.10220	37.4
208.10570	2.9
225.11290	74.7
226.11600	4.3
243.12361	100.0
244.12717	7.9
252.45944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
52.98808	0.9
57.03321	1.3
59.01253	2.0
71.01237	1.9
71.04881	3.6
74.02332	3.0
83.04924	1.0
96.17096	1.0
97.02824	4.9
97.06462	1.0
99.00760	14.1
103.37759	0.9
109.06463	1.0
110.03604	1.5
114.10429	0.9
125.09640	6.3
127.11157	4.3
136.05054	1.0
142.02626	1.6
151.52577	1.0
155.14299	1.8
163.11211	7.3
171.10117	1.3
179.10710	1.3
181.12265	23.4
182.12567	1.4
183.10155	1.6
191.87413	1.0
197.11732	2.6
199.13336	56.5
200.13652	3.6
201.45027	0.9
207.10216	39.5
208.10597	2.3
211.10835	0.9
221.71082	0.9
225.11284	79.5
226.11554	6.0
243.02884	2.1
243.12349	100.0
244.12732	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03322	1.1
57.46615	0.7
59.01244	1.9
69.19344	0.6
69.32921	1.5
69.33328	5.7
71.04899	3.8
74.02347	1.7
75.02632	0.5
83.04913	1.8
91.01777	0.7
97.02851	7.2
97.06458	1.7
98.20557	1.3
99.00757	28.0
103.90122	0.6
106.04008	0.8
108.02060	1.7
109.02800	0.9
109.06487	1.8
110.03623	2.3
123.08064	1.2
125.09628	7.6
125.78070	0.7
127.11220	1.3
135.08052	1.6
136.05202	1.2
137.06090	0.7
142.02646	2.2
152.01003	0.9
153.12769	1.6
155.14378	2.2
156.35231	0.6
161.09615	0.7
163.11200	10.8
164.11496	1.0
179.10748	0.7
181.12263	29.3
182.12616	1.9
185.87813	0.6
197.11765	1.9
199.13330	25.5
200.13687	2.0
207.10204	57.4
208.10550	3.4
225.11279	100.0
226.11618	8.1
243.02985	1.5
243.06783	1.9
243.12352	76.3
244.12651	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0619
Annotation	Uridine
Peak:m/z	Relative Intensity
52.31342	0.7
55.68407	0.7
58.02846	1.5
59.01258	1.1
66.03356	12.4
68.01286	1.7
69.92558	3.9
71.01259	1.8
82.02861	23.7
83.01263	0.8
84.04414	1.2
94.02861	3.0
96.00787	0.7
96.04409	1.9
98.20517	1.3
108.04449	2.4
110.02366	100.0
111.01891	6.1
111.02692	3.6
112.03910	1.4
114.01819	1.3
114.05536	0.7
117.01844	1.0
122.02369	7.5
124.03944	3.0
126.05502	0.7
128.03426	2.4
132.02931	1.0
133.46988	0.6
140.03439	11.6
147.78326	0.7
152.03447	18.7
153.02924	9.4
164.03441	0.8
169.09865	0.8
185.33624	0.7
200.05589	33.6
201.05925	1.9
214.46237	0.7
225.08733	1.4
226.11998	1.5
243.06201	19.9
243.09818	4.0
244.13123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66175	1.7
57.02959	2.0
57.03329	2.2
59.01253	3.6
62.61039	1.8
63.48501	1.8
64.09752	2.1
71.58069	2.7
83.04893	7.3
97.06490	12.7
102.79696	1.8
109.02894	2.0
111.08070	12.1
149.48157	2.3
163.11159	3.1
165.01671	2.0
165.12781	100.0
166.13121	8.7
175.58318	2.0
176.01219	1.8
197.15483	12.5
209.11790	7.7
219.07680	1.9
223.16997	2.1
225.02454	3.9
227.12883	2.4
241.07164	4.5
241.10939	3.5
241.14479	10.8
241.18150	20.6
241.21727	15.3
242.17786	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	239.1287
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01749	2.9
57.03326	14.5
57.70519	0.9
59.01251	2.3
65.61311	0.9
67.01773	1.3
69.03347	1.3
71.01273	0.8
71.04891	1.2
80.02574	1.1
80.91273	0.8
81.03337	5.8
83.01266	4.8
83.04401	1.2
83.04901	24.5
84.02042	8.8
85.02828	100.0
86.03165	3.2
95.04913	1.5
97.02848	4.3
97.06486	1.9
97.42501	0.8
109.06470	2.7
110.03628	4.3
123.04405	1.0
123.08044	1.4
123.55402	0.9
125.09624	1.2
127.11171	1.2
136.05249	1.3
139.11201	1.0
142.02580	2.8
153.09068	0.9
155.10687	6.0
163.16301	0.8
171.10190	5.7
177.12776	4.0
188.63547	1.0
193.12260	5.6
195.13872	4.3
211.13373	1.8
221.11792	46.9
222.12120	3.9
223.02802	1.9
229.25934	1.4
236.79620	0.9
239.12869	87.2
240.13216	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	239.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82091	0.5
59.01239	1.2
69.03333	0.6
69.54713	0.9
69.55131	2.7
82.25211	0.4
95.04925	1.3
98.19821	0.9
101.05967	8.4
109.06480	4.9
111.08052	4.9
122.03638	0.7
125.09601	1.5
135.11658	0.6
139.03911	14.2
140.04301	0.6
151.11227	0.6
154.06265	35.5
155.06599	2.2
167.14328	10.4
168.14674	0.9
179.05544	0.5
179.10693	5.0
180.11548	0.5
182.05811	3.5
195.13844	100.0
196.14177	8.5
223.02815	1.8
239.12840	5.4
239.16437	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	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01760	0.5
57.03325	1.2
58.52784	0.4
59.01252	0.8
69.03334	4.0
69.48342	3.4
71.01249	1.1
71.04900	4.4
71.06435	0.3
73.40232	0.4
76.02901	0.3
80.02529	0.3
81.03321	0.4
83.04884	0.6
97.06493	0.9
99.38303	0.4
111.08021	0.3
123.08060	1.8
125.05943	0.6
125.09629	2.2
137.09604	0.4
151.11179	1.4
153.12769	3.0
161.09648	1.6
179.10710	7.4
180.11095	0.4
197.11778	100.0
198.12094	7.3
223.09737	3.0
225.02531	0.4
241.10808	54.7
241.14659	1.5
241.18159	1.0
241.21729	1.4
242.11147	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	239.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19112	36.1
57.77217	39.5
59.01258	80.5
64.44839	40.2
71.56424	46.2
75.97560	37.5
77.41708	38.5
83.77795	40.8
85.02831	80.2
85.71774	42.3
107.69778	45.8
126.02203	41.5
179.05688	59.8
181.99350	44.3
221.06717	50.8
239.07654	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	239.1285
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.97155	0.5
59.01250	3.3
64.15096	0.4
71.49738	0.5
71.50066	0.6
72.47696	0.4
75.95800	0.4
177.12778	3.2
179.05573	0.7
189.88152	0.5
193.35443	0.4
195.13843	100.0
196.14182	8.1
221.11812	1.3
223.02750	1.2
239.12857	6.6
239.16447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
59.01252	1.4
59.96603	0.7
69.71323	1.7
74.98512	0.5
74.98950	9.8
75.05170	0.2
75.96075	0.3
75.98920	0.3
85.02831	0.8
85.44495	0.2
91.02090	9.9
92.02016	0.3
93.00018	9.2
108.68723	0.2
140.13206	0.2
147.99889	0.3
149.00870	6.1
150.00864	0.3
150.98816	0.3
166.38171	0.2
171.72342	0.2
179.05507	0.8
195.13885	0.4
206.99661	3.6
207.99707	0.5
221.11844	0.6
223.02805	100.0
224.02823	12.7
239.05930	0.4
239.09491	0.3
239.12807	1.4
239.16470	0.3
241.03838	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
56.00562	4.3
57.03313	5.1
59.01256	73.4
59.63778	2.7
61.53593	2.6
64.03760	3.0
69.03336	25.5
70.11070	13.2
71.01270	6.8
72.44899	2.7
72.95166	2.8
73.02837	3.7
76.05325	3.4
83.04874	3.2
85.02827	6.5
86.34764	3.1
97.06479	52.4
101.02338	4.1
101.78201	3.5
121.10155	7.6
123.00816	6.6
123.08062	65.3
124.08455	3.5
128.52931	2.9
139.07553	9.8
141.99358	3.3
147.11732	13.9
149.06039	3.1
167.07047	8.1
175.14864	10.9
179.10710	9.9
186.43465	3.1
193.15901	6.6
197.98622	2.9
219.13803	6.6
237.11316	4.8
237.14957	100.0
238.05026	4.1
238.15355	11.2
245.37721	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	237.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02086	0.3
59.01257	1.1
60.27473	0.3
65.00220	1.0
69.55517	0.3
71.01268	0.5
73.02798	0.4
91.01772	0.5
93.03342	0.5
101.02346	0.5
107.04935	0.7
119.01288	3.2
121.02852	1.3
123.04465	0.5
133.02867	0.3
134.03683	0.4
136.01602	0.5
147.00793	15.5
148.01469	0.5
149.02382	1.2
151.03920	2.3
164.01073	1.9
165.01833	0.5
172.06160	0.3
175.00302	0.7
175.29028	0.3
179.03430	36.0
180.03737	2.3
193.05013	0.5
193.12198	0.4
207.02942	100.0
208.03275	6.9
221.04556	1.5
222.05296	79.1
223.05624	6.1
237.07658	24.3
237.11420	0.8
237.14987	0.7
238.07956	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	237.0612
Annotation	3-Deoxyoctulosonic acid
Peak:m/z	Relative Intensity
55.47120	2.8
57.03338	4.5
59.01257	15.2
71.01258	15.2
72.99191	11.1
73.02850	3.4
73.38345	3.8
74.02344	3.9
75.00761	28.5
83.01256	3.5
85.02836	10.1
87.00755	100.0
87.22883	3.0
88.01143	3.2
89.02320	5.0
97.02829	5.3
99.00744	5.4
101.02342	10.3
113.02355	3.8
129.01826	21.7
133.01439	3.4
147.02919	4.8
156.30164	2.8
205.21024	3.1
237.06149	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33160	2.1
57.03330	3.7
58.16498	2.2
59.01259	12.1
62.46542	2.0
67.74612	2.0
70.40088	2.5
71.01263	13.0
71.23235	2.7
71.23596	4.9
72.99197	9.0
73.02842	4.5
75.00749	33.4
78.95789	3.5
85.02837	12.3
87.00757	100.0
89.02346	6.3
99.00758	3.3
101.02332	6.6
113.02368	4.7
114.07611	1.9
116.03428	2.3
129.01840	19.5
133.01367	3.3
147.02905	2.3
153.82414	2.2
175.79781	2.1
183.76735	2.2
184.53094	2.7
237.06137	35.9
240.36423	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	233.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.0
59.96595	0.5
60.97374	0.7
69.32906	2.9
71.19805	0.3
74.98940	7.3
74.99343	0.4
75.96089	0.4
87.53461	0.3
91.02100	1.1
93.00008	4.7
93.03323	0.5
118.96196	0.4
134.99297	8.3
135.99254	0.4
136.97206	3.1
141.07280	0.4
149.00870	78.1
150.00824	4.8
150.98795	1.3
152.96750	0.4
159.08412	2.2
161.06325	4.8
167.01944	0.6
176.26933	0.3
188.98473	0.4
215.05608	1.5
217.07173	100.0
218.07320	10.4
219.31326	0.3
219.33488	0.3
233.10321	89.6
233.15288	9.1
234.10486	10.0
234.15767	1.0
235.08194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
75.04440	0.2
85.27316	0.3
86.08067	0.2
86.89981	0.2
111.04394	0.3
118.71306	0.2
134.03636	0.8
135.04448	0.4
136.05167	0.9
148.05209	12.4
149.05719	0.8
149.09612	1.9
162.06778	0.7
170.76996	0.3
175.07602	0.6
176.08397	1.2
177.09134	49.0
178.09467	3.7
190.09927	2.3
191.07207	0.3
191.10675	1.2
192.11488	37.4
193.11893	3.5
201.09213	0.5
203.07042	1.0
206.09349	0.3
206.84866	0.2
217.08638	3.7
218.09419	10.3
219.09766	0.7
236.10506	100.0
237.10887	9.1
237.14787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85515	0.3
57.03329	0.7
59.01251	100.0
60.01588	1.6
63.04239	0.3
65.22554	0.3
67.01756	2.9
67.67380	0.2
69.03336	0.5
71.01254	1.9
72.12978	0.3
77.08332	0.3
81.03340	0.8
83.01277	0.3
83.04910	1.2
85.02811	0.6
87.00747	0.4
90.58634	0.3
93.03339	17.5
94.03678	0.6
104.56308	0.2
109.02797	0.5
111.00767	0.4
111.04407	5.1
127.03891	0.4
132.01018	0.3
135.26695	0.3
137.02350	2.0
138.97070	0.2
155.03391	3.9
173.04469	46.3
174.04817	2.5
191.05528	1.2
215.40211	0.3
231.58562	0.3
233.06624	8.4
233.15369	0.8
234.06999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62691	0.4
57.03327	0.6
59.01254	100.0
60.01597	1.5
64.78907	0.5
67.01771	1.3
69.03326	0.5
69.67733	1.1
69.68142	2.2
71.01249	1.0
82.55212	0.5
83.04906	1.4
93.03345	9.2
106.34688	0.4
111.04404	4.3
137.02397	1.5
155.03464	2.3
173.04472	15.4
191.05571	1.9
195.02892	0.5
204.59001	0.5
220.38010	0.5
233.06580	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	233.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.3
59.01256	100.0
60.01603	1.5
67.01767	1.0
69.03316	0.3
69.59843	1.7
71.01261	1.1
81.03345	0.4
83.04899	0.9
85.02836	0.4
87.00759	0.5
93.03342	8.5
109.02811	0.3
111.00778	0.3
111.04407	3.1
127.03940	0.5
137.02357	1.8
155.03438	3.3
156.03749	0.3
173.04491	26.9
174.04865	1.3
178.80128	0.3
191.05574	1.3
207.76016	0.2
208.25526	0.2
233.06657	9.7
233.15450	5.5
234.06998	0.7
234.15712	0.4
238.54012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66839	0.2
59.01255	100.0
60.01588	1.2
66.10507	0.2
67.01768	0.8
69.03333	0.5
69.96731	0.8
69.97131	0.4
71.01268	0.9
73.02844	0.3
81.03355	0.5
83.04927	1.1
83.64242	0.2
85.02840	0.5
87.00765	0.3
93.03340	7.4
93.03914	0.4
94.03725	0.3
98.31784	0.3
100.05325	0.2
103.52947	0.2
109.02879	0.3
111.04406	3.1
112.04773	0.3
127.03952	0.5
137.02356	1.0
155.03416	2.5
173.04483	11.2
174.04863	0.6
179.01295	0.2
191.05646	1.0
233.06677	3.9
233.08980	0.3
233.15417	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	233.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09109	0.5
52.62954	0.5
55.38051	0.6
58.02866	0.6
58.44764	0.5
59.01252	100.0
60.01596	1.3
60.99170	0.8
67.01770	4.0
69.03315	0.6
69.12729	0.5
69.64962	2.2
69.65370	1.2
71.01247	3.5
81.03333	0.9
83.04903	2.5
85.02821	0.7
87.00764	1.7
93.03332	21.5
94.03703	0.6
97.82375	0.5
98.19711	0.6
104.03403	0.6
109.02776	0.6
109.11401	0.5
111.00767	0.8
111.04410	4.7
115.52380	0.5
127.03891	0.6
129.01871	0.7
137.02350	2.1
155.03415	3.6
155.08601	0.5
159.90800	0.6
173.04475	39.3
174.04810	1.7
188.99670	0.6
191.05507	1.7
233.04413	1.2
233.06596	10.7
233.15424	45.3
234.06778	0.7
234.15752	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	233.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13645	0.7
59.01252	100.0
60.01577	1.2
67.01756	5.5
69.03336	1.2
69.47152	0.7
70.85759	2.4
71.01257	7.2
71.04906	2.4
72.99187	1.3
73.02822	3.6
74.02357	0.8
75.00763	1.2
83.01284	0.9
83.04897	1.5
85.02840	1.9
86.02306	0.7
86.98994	1.4
87.00759	3.7
93.03338	24.8
94.03674	1.3
96.95918	1.7
99.04417	0.9
101.02338	2.8
104.03420	16.4
105.00033	3.8
109.02837	1.5
111.00798	1.2
111.04398	8.0
113.02325	1.2
127.03956	0.9
128.03444	1.7
129.01768	0.8
130.03235	9.6
137.02361	4.4
146.04538	0.9
155.03415	5.0
161.02736	0.7
162.02269	0.9
173.04472	75.1
174.02258	2.3
174.04817	3.1
188.09187	1.7
191.05562	1.9
213.68797	0.7
233.04594	1.3
233.06641	15.1
233.10435	2.0
233.15414	15.4
234.04453	1.4
234.09779	10.7
234.15755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
59.01256	100.0
60.01596	1.5
67.01765	2.7
69.03339	0.8
69.27027	4.1
71.01259	2.0
73.02830	0.6
78.99477	0.4
79.10413	0.4
81.03338	0.8
83.04911	1.4
85.02831	0.8
87.00790	0.5
93.03343	17.1
94.03689	0.9
94.24175	0.4
99.04417	0.5
109.02869	0.6
111.04416	4.4
111.08935	0.3
112.04767	0.5
119.59643	0.4
124.01598	0.4
127.03959	0.5
137.02327	2.4
155.03418	3.9
173.04486	38.8
174.04802	2.3
191.05560	1.6
233.04324	0.3
233.06636	8.0
233.15434	12.7
234.06927	0.6
234.15761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04067	0.3
50.81454	0.3
53.16283	0.3
57.03321	0.8
59.01254	100.0
60.01600	1.2
60.99183	0.5
64.79965	0.4
67.01758	4.1
69.03332	1.3
70.26514	0.8
70.26911	0.7
71.01263	3.3
72.99209	0.7
73.02829	1.1
78.95790	2.7
81.03333	1.0
83.04929	1.5
85.02830	1.0
87.00773	2.1
93.03341	26.0
94.03684	1.6
96.95915	0.9
96.96840	3.7
98.20481	0.4
101.02321	1.0
104.03424	0.7
109.02849	0.7
111.00774	1.0
111.04415	6.5
113.02388	0.8
125.02364	0.4
127.03907	0.5
128.03394	0.6
129.01845	0.7
129.36499	0.4
137.02354	3.9
155.03413	4.5
168.78114	0.4
173.04480	68.7
174.04785	4.1
191.05583	2.2
233.06610	13.5
233.15422	9.2
234.06688	1.2
234.15842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1395
Annotation	Isobutyryl-carnitine
Peak:m/z	Relative Intensity
64.64412	0.9
69.73543	6.4
71.04897	21.4
72.58504	1.0
76.09055	0.9
78.37972	0.9
84.50806	1.0
95.58533	1.0
98.19886	1.5
99.04420	1.3
114.09144	4.7
130.08640	42.4
140.07074	1.2
168.13976	1.3
186.14928	18.6
212.12695	0.9
230.13921	100.0
231.02913	1.0
231.14209	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	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43236	0.7
57.03325	1.4
58.02845	0.7
59.01253	100.0
60.01588	1.2
60.99183	0.8
67.01782	4.2
69.03323	1.1
71.01255	6.7
71.04886	2.0
71.56653	1.3
72.99171	1.1
73.02833	2.7
74.02306	0.8
75.00735	0.9
81.03338	1.6
83.01276	0.9
83.04902	2.0
84.04389	0.7
85.02827	2.0
86.02355	1.5
86.98987	0.9
87.00761	3.0
93.03340	28.7
94.03664	1.6
96.95879	0.9
99.00786	0.8
99.04395	1.4
100.03907	0.8
100.64778	0.8
101.02324	3.0
103.62204	0.7
104.03423	9.1
105.00064	1.5
105.60080	0.6
109.02847	0.9
111.00759	2.3
111.04404	7.0
116.18983	0.7
127.03885	1.4
128.03438	1.4
129.01855	1.3
129.05522	1.0
130.03227	5.4
133.94604	0.8
137.02385	3.5
146.08168	1.7
147.06546	1.6
152.96506	0.7
155.03415	4.9
157.54689	0.7
159.07675	0.8
162.02148	0.9
173.04477	60.2
174.02229	1.1
174.04842	3.1
188.09212	0.9
191.05553	1.8
215.09076	0.9
233.01178	1.0
233.04485	1.1
233.06589	12.4
233.10075	3.9
233.15422	22.6
234.07104	1.0
234.09773	8.4
234.15834	2.0
248.62383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03327	1.2
59.01245	0.8
61.78564	0.2
65.69019	0.2
65.99712	0.3
70.91798	0.7
71.01249	0.5
71.04884	0.8
83.04899	0.4
84.02052	0.7
85.02831	0.7
97.06493	1.8
104.70338	0.3
112.48240	0.2
112.73705	0.3
125.05975	3.9
125.09615	4.1
127.11174	4.1
155.14339	2.6
165.12753	1.0
167.14340	2.2
171.10196	0.4
180.18036	0.3
183.13783	0.7
185.15378	0.4
209.11794	2.0
211.13368	3.9
229.14410	100.0
230.14748	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03321	2.4
59.15951	0.4
69.30836	3.5
69.31256	0.8
71.04884	1.1
83.04900	0.7
84.02055	0.4
85.02838	1.2
97.06495	0.7
125.09605	3.6
127.11200	4.6
152.02489	0.4
153.35515	0.3
155.14319	2.6
165.12837	0.5
167.14319	1.9
171.10191	5.9
183.13791	1.9
185.11790	3.3
193.12244	0.4
201.14883	0.5
209.11746	3.1
211.13358	16.7
212.13681	1.3
216.84326	0.5
229.14415	100.0
230.14786	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.73296	0.8
57.03301	1.3
59.01247	1.3
67.26115	0.8
83.04912	1.3
85.02821	1.5
98.19710	1.5
98.34863	1.0
114.85700	0.8
118.27063	0.7
125.09661	1.9
127.11211	4.0
127.81458	0.7
130.06500	1.9
145.46721	0.8
155.14430	1.5
158.05994	1.5
167.14351	2.3
171.10138	4.8
183.13826	3.0
185.07187	4.9
185.11769	4.4
193.12233	1.6
195.59106	0.9
209.11798	3.6
211.13341	20.3
212.13770	1.6
229.14417	100.0
230.06601	1.1
230.14754	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	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.00273	0.3
57.03308	0.6
60.34091	0.3
66.13412	0.3
69.65354	2.0
74.23940	0.3
75.15179	0.3
80.75601	0.4
83.15802	0.3
98.20580	0.6
116.34184	0.3
129.05481	0.5
139.11200	0.8
165.12781	1.3
167.14333	35.3
168.14673	2.6
185.15453	0.8
206.93571	0.3
211.13353	23.9
212.13724	2.2
229.14418	100.0
230.14764	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	227.1287
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.31919	0.7
53.51710	0.6
59.01238	1.7
66.20164	0.6
69.29345	3.7
69.29774	3.5
71.04881	0.8
78.95759	1.2
83.04893	1.6
98.19743	1.2
111.08039	1.6
119.30627	0.9
135.08017	0.8
139.11172	0.8
141.12759	0.9
157.05083	0.8
158.03598	0.8
161.04836	0.8
165.12782	18.0
166.13107	1.3
169.12263	1.3
181.12320	0.8
183.13846	100.0
184.14229	6.9
199.13290	4.8
209.11818	15.4
210.12186	1.6
227.07224	0.9
227.09377	1.1
227.12859	21.1
227.16547	2.0
227.20131	8.7
228.13222	1.5
228.20580	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77688	0.1
57.03328	0.5
58.47663	0.1
62.39391	0.1
69.03337	0.3
71.01783	0.2
71.02142	0.3
83.04938	0.2
90.41678	0.2
100.14152	0.1
111.07325	0.2
111.08023	1.1
165.12767	17.7
166.13116	1.2
181.12289	0.3
183.13831	100.0
184.14175	8.6
184.15869	0.2
185.90202	0.1
191.10709	0.5
194.39804	0.1
196.70874	0.2
209.11772	1.9
227.12845	11.3
228.13181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20256	1.0
57.03325	2.4
59.01249	2.5
65.01321	1.1
71.57565	1.2
78.95770	1.3
81.03371	1.0
83.04876	5.4
84.02048	1.6
90.01716	0.8
92.85342	0.8
95.04884	1.5
97.06476	2.5
110.95052	0.9
111.08064	5.0
130.83009	0.9
139.11215	0.9
163.11186	4.0
165.12773	41.1
166.13048	3.2
169.10143	0.8
169.12308	1.7
181.12250	1.7
183.13846	82.0
184.14200	6.2
191.10765	1.6
199.13345	5.6
209.11789	66.9
210.12152	6.9
227.03531	1.5
227.12860	100.0
227.20119	7.2
228.13240	9.5
233.68262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97197	0.4
70.02381	0.4
70.80616	0.4
71.44749	0.8
97.08694	0.5
97.09438	0.4
109.63720	0.4
111.08067	1.0
165.12782	16.9
166.13121	1.3
183.13846	100.0
184.14178	7.1
209.11800	1.6
227.12859	13.5
227.19911	0.5
228.13235	0.8
229.45578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1286
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03314	0.8
57.89641	0.7
58.00470	7.7
59.01251	1.0
71.01268	1.6
73.02833	1.4
83.04900	1.2
84.02058	2.1
98.19826	1.6
101.06004	0.7
111.08051	0.7
141.09140	0.8
148.72841	0.7
151.11182	0.9
153.12781	2.5
155.14349	3.1
163.11208	1.9
165.12741	6.4
169.12239	2.0
171.13850	3.2
181.12338	3.7
183.13849	19.7
184.14149	1.7
191.10715	1.6
197.11725	0.7
197.18065	0.6
199.13345	69.8
200.13666	5.2
209.11786	26.6
209.13780	1.1
210.12132	2.1
227.12860	100.0
227.16507	4.2
227.20078	5.9
228.13232	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	227.1286
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.01738	0.7
59.01244	0.5
71.01270	0.7
71.01595	0.5
71.04911	0.6
76.42528	0.3
80.02551	2.1
81.03345	2.3
83.01274	0.4
83.04903	8.0
84.02043	4.9
93.03330	0.3
95.04913	1.2
97.06432	0.5
97.10202	0.3
109.06547	0.6
125.05978	0.6
125.09595	0.4
135.08037	1.1
147.11766	0.6
163.11205	7.2
164.11545	0.6
165.12787	4.7
181.12296	1.2
183.13773	0.9
191.10696	1.5
199.13243	0.5
209.11775	100.0
210.12114	9.8
219.87741	0.4
227.12906	2.7
227.20107	0.5
228.13145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0923
Annotation	Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid
Peak:m/z	Relative Intensity
57.03322	6.2
59.01254	7.4
59.71592	3.1
63.59633	3.6
64.27973	3.8
68.99674	6.4
69.03336	3.6
70.46011	3.7
71.01266	19.7
71.57154	4.2
71.57516	3.5
72.99187	54.9
83.01255	30.1
83.04906	4.1
85.02827	26.6
88.03917	15.0
95.04916	8.4
97.06482	16.6
99.00760	26.6
108.02026	5.1
109.06467	12.2
110.03628	3.5
111.00755	4.4
111.08031	10.9
122.03599	8.8
123.08068	25.4
125.05957	9.7
125.09628	36.5
129.01866	8.0
132.02898	4.5
135.08058	20.3
136.01540	4.4
137.06017	25.8
137.09618	18.5
139.07503	22.9
141.09099	9.0
149.06148	4.0
151.07576	11.8
152.08345	3.9
153.05513	31.1
153.09134	100.0
154.09491	7.2
159.50261	4.3
165.05513	8.7
165.09239	4.6
169.08569	7.4
171.10184	15.3
179.07117	5.3
181.08630	8.3
183.13896	5.5
197.08151	57.7
198.08360	3.8
209.08113	10.8
209.11726	16.1
227.09213	95.3
227.12744	7.2
227.16444	5.9
227.20145	18.8
228.09541	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	225.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.6
60.89063	0.5
69.03342	0.5
69.98037	2.6
71.04876	0.6
77.86524	0.5
80.02563	0.9
81.03347	2.1
83.04893	1.8
84.02056	1.8
93.03367	0.7
95.04908	0.8
96.55842	0.5
97.02829	12.1
98.19762	0.5
99.00768	1.7
99.04432	0.7
109.02892	0.7
109.06480	17.5
110.03629	4.6
110.06836	1.1
111.03718	0.4
121.06469	1.2
123.04449	0.9
125.09592	1.2
135.08076	3.7
136.05205	2.4
137.02354	0.7
142.02621	6.9
161.09668	1.3
163.11195	14.9
164.11447	0.9
165.09119	0.6
167.03285	0.5
179.10722	1.3
181.12268	15.8
182.12598	1.6
189.09122	0.8
195.02925	0.7
198.07849	0.7
207.10210	81.3
208.10550	7.3
225.11278	100.0
226.11620	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	225.1492
Annotation	Blumenol B
Peak:m/z	Relative Intensity
57.03314	0.6
59.01260	4.7
61.79580	0.5
64.56170	0.5
69.25726	5.2
71.01252	0.7
71.10025	0.5
83.04892	1.6
93.03326	1.0
95.04916	1.3
97.02831	2.0
97.06489	0.8
98.19792	0.8
109.06468	3.0
109.53291	0.5
110.03616	0.9
135.08060	1.3
142.02640	0.6
150.88913	0.5
153.12711	0.8
163.11212	4.5
163.14822	0.9
169.12212	1.0
177.12750	0.7
179.14265	0.5
181.12239	3.7
181.15860	0.9
189.12755	0.7
195.02969	0.8
195.13843	10.5
196.14188	1.1
197.15416	6.1
198.15666	0.8
207.08356	0.8
207.10249	13.2
207.13846	26.3
208.10603	1.6
208.14174	2.6
210.05299	1.5
225.11485	20.9
225.14911	100.0
226.11601	2.1
226.15251	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	223.1336
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.37513	0.4
55.26241	0.5
57.03331	2.5
59.01250	7.6
60.28537	0.4
69.03329	8.8
71.01254	1.0
71.04874	2.3
74.98965	1.0
75.77068	0.5
78.81914	0.6
83.04902	1.3
85.02763	0.6
85.06466	2.1
93.00031	1.1
93.03331	1.2
95.04902	1.1
97.06490	0.7
98.19827	1.1
109.06470	2.2
111.08047	0.5
113.02295	0.6
121.02895	0.5
121.03881	0.5
125.09619	1.7
141.09113	0.7
149.00903	1.1
149.02237	0.5
149.09657	2.4
151.03928	1.2
153.09100	0.6
154.23648	0.5
161.13275	1.6
163.03867	0.5
166.06284	3.8
167.10692	11.6
168.11093	0.8
177.12788	2.3
179.10710	4.9
179.14343	11.5
180.14703	0.6
187.11230	0.5
193.01321	1.4
195.13844	35.0
196.14258	3.0
205.12291	23.9
206.12656	2.6
208.03758	1.4
223.02815	11.3
223.13358	100.0
224.02878	2.0
224.13701	9.7
225.60606	0.6
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
55.01743	0.5
58.13121	0.5
59.01251	1.9
68.56139	0.4
71.10356	0.6
73.02775	0.4
81.54142	0.5
93.03335	0.6
93.61235	0.6
97.02831	13.4
98.20664	0.9
99.00751	4.8
109.06491	3.7
110.03631	4.2
111.04501	0.5
123.04428	1.4
125.09584	1.6
135.08043	2.1
136.05209	2.3
142.02611	6.0
143.02959	0.6
145.10127	0.9
151.04184	0.6
151.07524	0.7
161.09654	0.8
163.11209	14.0
164.11533	0.7
165.01892	2.2
165.99124	0.6
176.15877	0.5
179.10680	1.1
181.12270	32.5
182.12596	2.6
197.11775	1.5
198.59966	0.6
207.10208	84.2
208.10571	7.5
225.11279	100.0
226.11633	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	223.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	4.6
57.03329	18.0
58.02457	0.8
59.01256	10.2
67.01777	1.2
68.99667	1.4
69.03312	1.2
70.89665	2.2
70.90021	1.1
71.01253	15.9
72.99185	24.8
73.02829	4.6
75.00749	10.6
78.95779	2.8
80.96408	1.6
81.03330	8.1
83.01261	11.7
83.31113	1.0
84.02045	2.1
85.02828	100.0
86.03165	3.5
87.00758	7.9
97.02811	1.6
99.00759	12.7
101.02324	11.1
103.00255	2.6
103.03950	1.8
111.00768	38.8
113.02323	4.5
114.21442	1.0
117.01828	2.6
125.02344	29.4
126.02676	1.6
129.01836	55.7
130.02155	1.8
133.04947	1.2
143.03432	4.8
147.02910	17.5
155.36815	0.7
161.04518	2.5
163.02417	0.8
169.01416	1.0
187.02405	3.1
205.03496	41.5
206.03830	1.8
208.03685	1.0
223.02898	2.2
223.04561	61.2
224.04834	2.4
236.22925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1334
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.71737	0.5
54.03978	0.5
57.03313	1.8
59.01252	9.4
62.70486	0.5
63.45835	0.4
69.03333	10.3
71.01245	1.7
71.04913	2.7
71.58029	0.7
74.98967	0.8
83.04901	1.6
85.02839	0.6
85.06477	1.6
93.03339	0.8
95.04912	1.8
97.06485	1.0
108.05658	0.9
109.06484	2.1
111.08046	0.7
125.09648	1.6
135.11670	0.8
141.09120	1.6
149.00870	0.5
149.09605	1.5
161.13284	2.0
167.10713	11.5
168.11086	0.8
177.12798	1.8
179.10767	5.0
179.14339	12.9
180.14676	0.9
182.33885	0.5
187.11311	0.9
191.01385	0.6
193.01364	1.2
195.13846	33.6
196.14217	2.8
205.12288	24.1
206.12636	2.2
208.03705	1.2
223.02725	3.6
223.13362	100.0
224.13693	10.9
228.13510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1543
Annotation	Kobusone
Peak:m/z	Relative Intensity
59.01253	0.4
69.53551	1.1
73.13446	0.1
73.82866	0.1
82.06794	0.1
93.88699	0.2
103.24025	0.1
127.07534	0.8
136.21844	0.1
146.28413	0.2
148.05194	0.7
149.05832	0.5
151.07520	0.2
164.08345	2.2
165.08894	0.2
205.12274	1.8
206.02206	0.1
206.12685	1.3
207.13840	1.4
210.68227	0.2
220.14651	4.2
221.15424	100.0
222.15765	10.1
235.13367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	5.8
57.03330	21.1
59.01250	17.1
71.01258	19.3
71.56130	3.1
71.56496	2.6
72.99191	16.9
73.02818	7.2
74.37550	2.4
74.98960	3.4
75.00749	10.5
81.03317	3.5
83.01270	14.3
85.02827	100.0
86.03168	3.9
87.00747	3.0
91.03890	3.2
91.94864	2.1
93.00027	2.3
95.29491	2.5
98.81400	2.1
99.00730	4.0
101.02347	14.5
111.00768	45.8
113.02364	3.0
125.02360	12.0
129.01837	43.7
138.23532	2.8
143.03406	3.0
147.02910	10.8
180.06714	2.3
193.01353	3.6
205.03500	29.8
208.03764	4.3
223.02727	13.8
223.04572	24.9
223.08023	3.8
223.13203	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	221.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12777	12.4
59.01250	24.8
69.35455	45.8
69.35879	100.0
77.11492	12.4
81.00802	11.8
89.20014	14.0
97.46081	13.6
111.66540	14.7
147.64139	17.1
190.99811	24.8
206.12622	18.0
221.15195	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94693	4.3
56.28233	4.1
56.31351	4.1
57.03326	100.0
59.01252	44.9
62.25481	3.7
69.03331	5.6
71.01234	6.1
71.04890	4.4
75.51936	3.6
83.04902	4.4
85.02827	11.0
95.04912	15.0
108.02065	4.8
109.02847	6.5
119.08540	6.2
120.05663	6.5
120.99546	8.0
121.02908	4.8
121.06474	6.8
123.04408	17.8
123.08035	30.9
133.06567	5.8
134.03581	7.3
135.04445	26.9
135.08058	8.3
139.07541	6.9
145.06355	4.6
148.05196	10.0
151.07553	42.4
151.11136	6.9
152.46384	4.0
159.08142	4.0
160.08806	6.9
161.06018	4.5
161.09641	36.9
163.07549	62.3
164.08234	7.5
165.09094	39.0
169.38152	4.0
173.09663	5.9
177.09111	24.9
179.10699	59.0
180.10948	6.1
187.07423	5.1
188.08337	10.3
190.99707	9.0
192.24651	4.3
200.66603	3.4
203.10733	77.4
204.11087	9.6
206.02226	10.0
206.05753	6.5
206.12646	7.0
221.08484	5.3
221.11800	66.7
221.15034	20.2
222.12090	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	221.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63647	2.7
59.01255	59.1
60.01608	2.6
60.99189	17.5
69.46515	15.9
69.46940	8.1
71.01250	8.5
71.04890	3.0
72.99182	100.0
73.02802	4.3
75.00753	31.9
76.01143	2.9
87.00768	7.1
89.02316	17.3
99.00758	3.7
99.04424	4.2
105.01836	5.0
115.00270	23.9
117.01801	4.3
123.43264	3.2
133.01335	24.0
145.01337	9.5
161.04474	5.1
195.19945	2.7
195.56171	2.7
221.06638	10.3
232.95842	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	221.03
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	30.2
60.99167	6.0
64.02368	4.7
64.95135	5.4
69.90986	26.2
71.01263	20.8
71.04887	4.9
72.99189	95.9
73.02828	6.5
75.00742	26.0
83.08045	3.8
83.32821	4.0
85.02804	5.9
87.00730	7.7
101.02325	5.4
112.37249	4.5
115.00280	11.9
131.48528	4.4
133.01352	21.9
135.04773	100.0
145.01370	9.8
190.99753	7.4
206.02217	6.4
206.12608	4.7
220.17766	4.5
221.06578	12.0
221.11775	9.9
221.15198	24.2
221.18079	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	215.1648
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
63.63626	0.2
74.10851	0.2
144.00804	3.4
169.15906	5.7
170.16188	0.3
171.01840	0.6
171.10143	0.3
197.15378	2.8
213.14926	0.8
215.00954	16.9
215.16487	100.0
215.99397	0.4
216.01265	1.5
216.16823	9.1
227.52876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1492
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.86511	0.4
65.24965	0.4
66.12545	0.4
67.20360	0.4
69.52712	0.4
69.53040	3.4
97.24221	0.4
115.07519	0.6
167.14362	1.5
169.02866	0.5
169.12329	0.5
169.15948	0.9
179.94180	0.5
183.13824	0.9
195.13864	2.8
196.14101	0.6
213.14912	100.0
214.01385	0.6
214.15265	8.6
214.17180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41257	0.3
59.01258	0.7
64.96601	0.3
69.56056	2.5
69.57808	0.3
76.02605	0.3
98.20517	0.8
167.14352	1.2
177.12666	0.5
183.13823	5.5
184.14136	0.5
195.13852	19.6
196.14191	1.6
211.13376	1.5
213.14923	100.0
214.15276	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	211.1335
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
54.49823	0.3
60.09899	0.3
69.03331	1.0
69.30929	3.0
69.31349	0.8
83.04919	0.5
98.20557	0.9
155.10663	0.5
165.12741	0.6
167.10654	0.8
167.14334	1.7
179.60320	0.4
183.13844	15.8
184.14166	1.3
191.40317	0.3
193.12299	3.9
205.48244	0.4
211.13347	100.0
212.13684	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	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.45045	0.3
57.03307	0.6
59.01236	0.4
65.01302	0.4
68.33444	0.4
71.57784	0.5
73.35391	0.3
83.04887	0.3
97.06491	1.0
119.89667	0.4
133.10014	0.4
151.11189	12.6
152.11589	0.6
169.12262	100.0
170.12624	7.0
171.06648	0.5
172.06201	0.5
183.13823	0.5
183.33939	0.3
195.10205	1.0
195.13823	0.9
213.05731	0.5
213.07875	0.5
213.11288	11.9
213.14993	5.0
213.18549	0.8
214.07283	0.5
214.11621	1.2
214.15213	0.5
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
59.01258	0.3
71.21667	0.7
100.77523	0.3
111.10323	0.3
112.02321	0.3
117.93098	0.3
120.29269	0.3
165.12793	0.4
177.12772	0.4
183.13837	32.2
184.14159	2.7
195.13850	27.7
196.14215	2.2
199.16776	0.3
211.13283	1.1
213.14912	100.0
214.15250	9.5
224.49149	0.3
229.36633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79745	0.5
69.03317	0.5
69.25335	4.8
69.25746	2.1
83.04899	1.0
83.55488	0.5
95.01915	0.5
110.35566	0.5
167.10802	0.7
167.14287	1.8
183.13828	16.3
184.14171	1.3
193.12234	4.1
207.02917	0.5
210.98039	0.7
211.13342	100.0
212.13705	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	0.8
69.24635	5.0
69.24977	0.4
69.73362	0.4
78.97021	0.4
83.04909	0.7
98.20512	0.8
121.23540	0.4
155.10675	1.0
158.18211	0.4
165.12769	0.6
167.10689	0.6
167.14316	1.8
183.13832	17.2
184.14189	1.2
193.12294	4.5
211.13351	100.0
212.13692	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	211.1335
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
62.14264	0.5
69.03338	0.8
83.04893	0.9
109.06451	0.5
114.25331	0.6
122.14541	0.5
137.37369	0.5
149.74942	0.4
151.40550	0.5
153.05510	0.7
155.10757	0.8
165.12790	1.0
167.14310	1.6
170.90048	0.4
183.13831	15.9
184.14264	1.2
193.12265	3.0
196.03830	0.5
211.13347	100.0
212.13684	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	209.1178
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
54.41057	0.3
58.24265	0.3
58.29087	0.3
59.01242	1.2
69.03336	0.4
71.01250	0.7
80.02553	3.8
81.03336	3.0
82.81822	0.3
83.01279	0.3
83.04903	10.4
85.02803	0.4
93.03331	0.7
94.02825	0.5
95.01273	0.4
95.04897	1.7
105.03368	0.4
106.04101	0.4
108.02045	0.4
109.06461	1.0
111.01853	0.5
113.05949	0.3
116.70414	0.3
118.14861	0.3
120.02029	0.6
121.02847	30.2
122.03189	1.4
123.00735	0.4
124.03941	0.9
125.02376	0.4
125.05955	1.2
129.01859	0.4
135.04388	0.4
135.08052	1.6
136.01540	0.6
137.02370	0.8
137.06007	0.4
138.03047	0.3
144.78445	0.3
147.11662	0.7
151.03925	0.9
153.01831	0.5
155.03513	0.4
156.41649	0.3
161.02396	2.7
163.11209	7.9
164.11490	0.7
165.01840	1.2
165.12775	5.2
166.13153	0.6
176.04712	1.1
178.99738	0.6
179.03400	3.6
180.04056	0.4
181.12279	1.4
183.06712	0.6
191.10733	2.1
194.02126	1.1
194.05824	2.6
209.04567	2.7
209.11774	100.0
210.08022	0.4
210.12122	8.7
229.22853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
52.71980	0.3
56.85416	0.4
59.01252	0.9
60.85851	0.3
62.36569	0.3
69.35188	1.2
69.35610	2.0
71.01273	0.4
74.32201	0.3
80.02541	3.3
81.03329	2.6
83.04901	10.5
84.05232	0.5
93.03374	0.3
94.02911	0.3
95.01227	0.3
95.04895	1.6
96.05289	0.3
109.06493	0.6
118.02489	0.3
121.02847	10.8
124.03933	1.0
125.05956	1.2
125.11886	0.3
135.04408	0.3
135.08047	1.4
136.01605	0.4
147.11673	0.3
148.63519	0.3
154.52875	0.3
156.05611	0.4
158.12842	0.4
161.02333	0.4
163.11201	8.2
164.11510	0.7
165.12770	4.5
179.03438	0.8
181.12234	0.9
183.06799	0.4
191.10762	1.6
194.02104	1.1
194.05785	0.5
209.04471	1.1
209.11774	100.0
210.12120	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.0
57.03327	3.4
69.03328	1.0
70.15582	2.5
71.01262	1.1
71.04895	1.3
73.73726	0.5
80.02570	1.5
81.03339	6.3
83.01260	41.9
83.04906	4.6
84.01576	1.1
84.02057	2.0
95.04900	2.2
97.06466	7.3
99.04430	0.8
102.56707	0.6
106.04095	0.6
119.03243	0.6
121.02865	6.1
123.08054	4.4
125.09612	35.3
126.09958	1.8
134.03676	0.9
135.08051	3.7
147.11705	1.7
161.09596	0.6
162.13795	0.5
163.11200	15.1
164.11523	0.8
165.12770	4.2
167.10590	0.8
173.09630	0.7
181.12294	2.6
191.10706	12.0
192.11032	0.8
209.11775	100.0
210.12112	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	209.1179
Annotation	Pulchellon
Peak:m/z	Relative Intensity
55.01741	1.7
57.03071	1.1
57.03331	7.4
58.00468	1.3
59.01245	2.5
69.03329	2.8
69.57713	3.6
69.58137	2.6
71.01258	22.0
71.04885	1.4
73.02795	1.1
80.02551	3.1
81.03330	4.1
81.18519	0.8
83.01248	8.3
83.04906	6.4
84.02035	2.0
85.02817	1.1
93.03326	1.8
95.04904	4.6
97.06456	7.0
107.04846	1.1
109.06519	1.2
111.08047	2.6
112.01524	1.3
121.02850	31.0
122.03204	1.3
123.08056	2.6
124.03954	1.1
125.02353	1.0
125.09609	13.6
126.09946	1.2
134.03632	1.7
135.08052	2.9
135.53935	0.9
137.09624	1.5
144.00485	1.4
145.10133	3.0
147.11742	2.6
149.09709	1.2
151.03804	1.0
151.11198	36.1
152.11507	2.4
153.12769	3.1
161.09666	1.3
163.11195	13.4
164.11485	1.1
165.12773	18.9
166.13072	2.1
167.10611	1.4
173.09636	2.8
179.03447	1.1
179.10657	5.8
181.12273	32.7
182.12578	3.5
191.10707	20.5
192.11015	1.7
209.04469	3.0
209.11781	100.0
210.12100	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19616	0.9
55.01771	1.1
57.03322	10.2
59.01247	3.9
63.07843	0.9
65.03807	1.0
69.03326	4.5
69.78824	0.9
71.01257	27.8
71.04891	1.2
73.02818	2.3
76.07891	1.1
80.02541	4.4
81.03331	3.6
83.01252	3.3
83.04900	6.6
84.02034	2.0
85.02843	1.3
93.03365	1.7
95.04919	5.6
97.02779	1.0
97.06470	8.1
107.04856	0.9
108.02068	1.0
108.74849	0.9
109.06476	1.8
111.08071	4.5
112.01568	1.7
116.42844	0.8
118.74074	1.0
120.01982	1.2
121.02850	26.7
122.03194	1.4
123.08083	1.7
124.03942	1.4
125.09590	9.4
131.67961	0.8
134.03651	1.4
135.08043	2.1
137.09613	1.6
144.00525	1.4
145.10121	3.0
145.80150	0.9
147.11697	3.1
149.09619	1.7
151.11192	40.1
152.11539	3.1
152.38887	1.0
153.12830	4.6
161.09651	1.9
163.11200	11.5
165.12773	32.5
166.13110	3.1
167.10699	2.7
173.09647	2.7
179.03470	1.2
179.10701	8.3
181.12263	44.2
182.12595	2.9
191.10709	22.8
192.11031	2.5
198.77284	1.0
209.04622	2.0
209.11783	100.0
210.12128	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	209.1178
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
59.01256	0.8
63.44600	0.5
71.49976	0.8
75.53787	0.4
83.04905	0.6
88.71408	0.4
93.12769	0.5
100.87141	0.5
121.02854	13.6
122.03197	0.7
124.03950	0.6
130.23135	0.4
165.12793	0.7
191.10767	0.7
206.95503	0.5
209.04456	1.2
209.11774	100.0
210.12135	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
57.03327	1.7
58.27901	0.5
59.01254	100.0
60.01589	1.6
65.00197	0.4
71.19564	0.5
80.02576	0.6
81.03347	1.3
83.04890	1.4
85.02840	0.7
88.54201	0.4
93.76365	0.4
95.41074	0.4
96.52045	0.3
97.06486	1.4
109.02826	0.6
109.06451	2.3
121.02853	16.8
122.03191	0.6
124.03945	1.0
135.08032	0.6
147.42575	0.5
163.11179	1.4
165.12779	3.3
179.03436	0.9
194.02103	0.4
194.05746	0.7
209.04448	1.4
209.06401	0.7
209.11774	24.0
210.12117	1.5
219.91704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55282	0.6
59.01238	1.1
63.59761	0.6
71.57887	0.9
76.88078	0.6
80.02551	3.3
81.03331	2.4
83.04899	10.5
84.05251	0.9
85.02795	0.5
95.04891	1.5
97.06479	0.7
109.06495	0.8
120.02084	0.6
121.01959	1.2
121.02847	23.1
124.03941	1.1
125.05972	2.2
125.06885	0.7
135.08072	1.8
137.05952	0.6
139.53317	0.6
150.16492	0.7
161.02354	1.1
163.11194	9.0
164.11511	1.1
165.01773	0.7
165.12750	4.9
176.04626	0.9
179.03348	1.3
181.12273	1.5
183.06717	0.7
191.10670	2.7
194.02168	1.4
194.05836	1.1
209.04437	2.2
209.11775	100.0
210.07796	1.3
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	209.118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.9
69.03305	0.4
71.01256	0.5
73.43208	0.3
80.02558	3.5
81.03331	2.3
83.01302	0.2
83.04903	11.0
84.05208	0.4
85.02827	0.7
85.11333	0.3
87.00741	0.3
93.03334	0.7
94.02858	0.4
95.04915	1.6
97.06466	0.5
103.28600	0.2
106.04082	0.3
107.04893	0.4
109.02865	0.2
109.03926	0.3
109.06493	0.7
111.08035	0.4
120.02136	0.3
121.02856	17.7
121.06461	0.3
122.03200	1.0
124.03927	0.9
125.05958	1.1
129.01804	0.4
135.04483	0.4
135.08057	1.3
136.98605	0.3
137.05981	0.5
139.03935	0.3
147.11708	0.5
151.03920	0.7
151.07530	0.3
156.05670	0.4
161.02377	0.8
163.11208	10.0
164.11623	0.6
165.02017	0.3
165.05417	0.3
165.12785	5.3
166.13097	0.4
179.03409	1.0
181.12277	1.4
183.06673	0.6
189.77095	0.2
191.10767	2.2
194.02187	0.5
194.05782	0.9
209.04768	1.6
209.11787	100.0
210.07895	0.6
210.12138	9.7
229.65019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0813
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.92553	1.2
59.01261	1.9
59.51871	1.3
69.36466	1.2
71.01255	2.4
71.13069	3.5
72.99186	2.2
73.02812	1.6
81.03346	1.6
83.04897	2.5
85.02798	2.1
91.05415	16.8
93.03308	2.2
104.05060	1.4
105.78840	1.3
108.02020	1.8
119.04844	2.3
120.02095	1.6
121.02844	100.0
122.03195	4.7
123.00797	1.5
124.03902	4.5
125.02342	1.6
135.04446	7.2
136.01570	2.3
137.02414	1.9
137.05977	3.2
147.04420	6.8
149.02338	2.9
150.03098	1.7
161.02309	2.1
163.03914	3.2
165.01823	3.1
165.05531	9.5
179.03394	3.1
194.02203	2.1
194.05811	2.9
209.00949	1.6
209.04466	9.4
209.08160	23.3
209.11726	13.0
210.08078	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0661
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
55.01751	4.3
57.03328	32.1
59.01249	23.7
68.99679	2.5
69.50932	15.5
71.01257	19.7
72.99168	5.4
73.02811	3.3
75.00739	2.1
83.01256	7.3
84.02034	7.8
85.02824	100.0
85.99988	1.7
86.03128	2.2
87.00758	24.9
87.04377	2.3
89.02322	7.3
97.02831	1.9
98.75171	1.6
99.00751	4.2
100.60992	1.6
101.02311	2.0
111.00758	8.2
121.02834	5.8
124.03970	3.9
129.01830	36.2
141.01833	2.9
142.99771	2.9
156.12395	1.6
159.02878	7.8
160.03302	2.0
191.01933	3.1
209.03181	3.7
209.06590	58.5
209.11818	2.7
210.06915	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	209.0299
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01758	1.9
55.56166	0.2
56.18032	0.3
57.03326	12.9
58.00470	0.7
58.03662	0.4
58.99469	0.9
59.01253	14.1
59.99820	0.4
60.01577	0.4
65.99726	0.3
68.99689	1.7
71.01256	31.6
71.56035	0.3
71.56402	0.3
72.01597	0.7
72.99184	7.2
73.02841	0.7
74.00564	1.1
74.98963	1.0
75.00759	5.1
76.00158	0.6
78.95776	2.5
79.70059	0.3
79.95606	0.6
80.96399	3.7
82.02865	0.3
83.01255	2.8
83.71107	0.3
84.02048	3.6
85.02827	100.0
86.03165	2.6
87.00755	8.8
88.01090	0.4
89.02319	10.5
96.95907	0.6
96.96840	1.3
99.00732	0.6
101.02332	1.4
103.00266	2.3
111.00772	2.3
115.00264	1.9
121.02869	0.8
124.03956	0.6
127.00305	0.4
128.03430	1.1
129.01842	6.3
133.01328	11.4
134.01688	0.5
136.99019	0.6
147.02898	3.5
173.00850	0.8
191.01910	13.6
192.02264	0.8
208.97543	0.5
209.02983	21.5
209.06381	0.6
209.11731	0.5
210.00760	0.8
210.03392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0449
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01260	1.0
60.41208	0.3
65.00189	0.4
65.99694	0.4
66.00998	0.4
66.13046	0.3
67.01768	0.4
69.40746	3.3
69.59422	0.3
71.01228	0.4
74.51788	0.3
76.00970	0.3
85.02826	1.0
87.26984	0.3
91.01784	1.1
91.05411	0.9
94.02880	0.4
95.01266	0.7
98.20560	0.7
109.01603	0.7
120.02074	1.1
120.50857	0.3
121.02847	100.0
122.03166	5.2
123.04454	0.4
123.08083	0.5
124.03931	0.7
125.05988	0.4
129.01855	0.3
135.04434	0.6
136.01540	1.6
137.02409	0.3
137.06059	0.4
147.04475	0.6
151.03897	0.5
153.01830	0.4
161.02350	1.1
163.11226	0.4
165.01888	0.5
165.05530	1.1
165.09119	0.3
176.04745	0.3
178.99805	0.5
179.03465	1.0
181.05013	0.4
191.10690	0.6
194.02145	1.1
194.05774	1.4
209.04498	9.1
209.06349	0.7
209.08138	3.0
209.11778	2.8
210.04840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0658
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.07393	0.2
59.01260	1.1
61.32996	0.2
61.50757	0.2
63.02307	0.3
65.00204	0.3
69.43130	2.2
71.65166	0.2
77.03881	0.2
91.01747	0.6
93.03275	0.3
95.04905	1.0
98.19818	0.4
105.03347	5.4
106.03672	0.3
109.06480	1.8
119.01316	0.3
119.04887	0.4
121.02808	0.5
121.06467	0.3
123.00629	0.3
123.04447	1.1
133.02853	37.9
134.03210	2.2
135.04405	0.4
135.08075	0.3
137.02448	0.3
148.01537	0.3
149.02370	3.2
150.03008	0.3
151.03911	0.6
163.00294	0.7
163.03937	0.4
163.07632	0.3
163.11169	1.3
164.04703	2.3
164.89392	0.3
177.01857	16.6
177.09137	0.7
178.02232	1.1
178.99878	0.3
179.03435	0.3
179.07021	0.4
181.05130	0.3
192.04211	100.0
193.04552	8.0
206.99286	0.5
207.02985	0.9
207.06572	15.7
207.10202	1.1
207.13831	5.6
208.06898	1.5
208.14194	0.7
224.10458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02852	36.6
59.01259	1.1
61.32813	0.6
65.99751	0.7
70.02859	13.8
70.03224	1.1
71.57391	1.0
71.57755	0.6
72.00779	6.3
74.15281	0.6
91.01790	0.6
91.05413	5.2
91.47979	0.6
91.91197	0.6
93.03383	0.9
97.97198	0.6
100.96920	0.7
114.98507	0.9
119.04927	1.5
135.04436	4.0
136.07523	0.6
147.04427	36.4
148.04797	2.1
151.00270	1.0
162.09215	0.7
162.81676	0.7
163.00302	0.9
163.03923	0.9
164.07088	100.0
165.07477	7.1
177.01880	3.7
178.99828	1.0
180.55672	0.6
191.03137	0.7
192.00533	2.1
192.04178	4.7
206.06146	1.3
206.08162	27.6
206.16144	0.9
207.02827	1.9
207.06645	1.4
207.08527	2.1
207.10197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0817
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
58.02852	36.6
59.01259	1.1
61.32813	0.6
65.99751	0.7
70.02859	13.8
70.03224	1.1
71.57391	1.0
71.57755	0.6
72.00779	6.3
74.15281	0.6
91.01790	0.6
91.05413	5.2
91.47979	0.6
91.91197	0.6
93.03383	0.9
97.97198	0.6
100.96920	0.7
114.98507	0.9
119.04927	1.5
135.04436	4.0
136.07523	0.6
147.04427	36.4
148.04797	2.1
151.00270	1.0
162.09215	0.7
162.81676	0.7
163.00302	0.9
163.03923	0.9
164.07088	100.0
165.07477	7.1
177.01880	3.7
178.99828	1.0
180.55672	0.6
191.03137	0.7
192.00533	2.1
192.04178	4.7
206.06146	1.3
206.08162	27.6
206.16144	0.9
207.02827	1.9
207.06645	1.4
207.08527	2.1
207.10197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03355	2.7
55.01759	8.6
58.00478	5.9
58.73010	3.0
59.00951	5.5
59.01253	91.4
67.01759	5.9
68.99689	12.7
69.50772	23.0
71.01257	93.8
72.01623	3.7
72.99186	54.5
73.02795	17.4
75.00750	41.0
81.03349	4.2
83.01260	16.1
83.04881	4.2
85.02824	9.6
87.00755	100.0
89.02317	6.3
89.33706	3.7
96.99186	6.7
98.20528	6.4
99.00761	26.1
99.04404	7.9
100.98685	3.4
101.02349	18.0
103.00254	8.0
110.99981	4.6
111.00760	95.5
112.01091	3.6
112.98689	14.1
115.00260	77.3
115.03949	3.4
116.06499	2.9
117.01809	12.7
119.01614	32.5
120.01147	42.1
124.98704	12.1
125.02357	34.2
127.00261	10.1
129.01831	16.3
130.99751	19.0
142.99760	21.8
143.03412	8.5
145.01360	23.4
154.99785	20.6
157.01344	6.3
173.00978	3.9
175.02455	4.1
189.24841	3.5
205.03436	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	206.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.6
60.01582	0.9
62.35490	0.9
68.99699	2.0
70.89865	1.7
70.90233	1.5
71.01255	4.8
72.01609	1.8
72.99183	5.3
73.02821	1.0
75.00755	2.8
85.02846	1.2
86.02361	3.5
87.00755	10.3
88.01115	0.9
95.45284	0.7
99.00775	3.0
100.98678	1.9
101.02339	2.0
101.70943	0.8
103.00260	1.8
112.98690	2.2
114.35141	0.8
115.00256	1.3
116.00609	2.4
119.01620	72.8
120.01142	100.0
121.01498	2.1
127.00275	1.8
129.01840	2.8
130.99774	16.0
144.00565	1.9
145.01364	10.0
146.01659	0.7
157.01390	3.2
163.00259	1.0
163.03896	1.2
177.01860	2.0
192.04163	1.8
206.04808	6.2
207.10225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0821
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
71.11904	1.2
72.00784	23.5
74.02347	34.9
97.02837	0.5
116.04951	100.0
117.05295	5.7
129.05693	0.5
130.06546	2.8
132.08116	0.6
142.06534	27.9
143.06857	1.8
147.18857	0.5
157.07654	0.6
159.09196	12.0
159.10483	0.8
160.09583	1.3
161.04767	1.1
168.61440	0.5
173.97513	0.5
186.05481	2.9
203.08206	40.5
204.08540	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	203.0191
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.02252	1.2
57.03312	3.3
58.02849	1.6
59.01258	1.5
60.99171	3.3
67.01761	1.5
68.69873	0.8
68.99689	0.9
69.03329	78.4
70.03661	2.8
70.57410	2.6
71.01254	50.5
72.01609	1.2
72.99186	8.5
73.02802	1.1
75.00764	4.2
77.48364	0.8
79.01761	5.9
83.01252	2.2
85.02825	12.0
87.00756	13.3
95.01267	9.9
96.08559	1.0
97.02832	100.0
98.03175	3.1
99.00781	2.0
111.00755	5.1
113.02343	3.0
115.00253	8.1
115.03899	1.2
121.83276	0.8
123.00812	4.6
129.01826	3.1
141.01833	16.0
158.22789	0.9
159.02878	2.0
163.38690	0.9
203.01910	40.2
204.02229	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18499	0.9
50.18738	1.1
51.02259	1.5
54.29884	1.3
55.01760	1.5
57.03312	4.1
58.02856	7.2
59.01263	5.3
60.79681	1.1
60.99180	3.4
66.03380	1.3
67.01767	2.6
68.01276	1.4
68.99685	3.3
69.03330	90.2
70.02854	2.5
70.03653	3.9
70.45242	3.4
71.01255	69.6
71.79160	1.0
72.00746	1.2
72.99186	17.4
73.02821	3.0
74.02345	4.4
75.00755	10.3
79.01778	5.3
83.01260	4.4
85.02831	13.5
86.02319	1.1
86.03219	1.1
87.00755	22.7
87.05518	4.7
88.03934	1.6
88.42477	1.2
95.01270	13.1
96.00781	1.1
96.04369	1.2
97.02834	100.0
98.02428	1.9
98.03166	4.0
99.00784	7.1
99.05486	1.4
100.03922	4.5
101.02338	1.5
102.05462	1.0
105.01832	2.7
107.83244	1.1
111.00772	5.4
113.02328	3.1
113.03479	5.9
114.01847	6.8
115.00262	9.9
115.03905	1.2
117.06583	2.0
123.00765	4.8
127.00253	2.0
128.03459	1.9
129.01826	5.7
131.04510	14.7
135.59801	1.1
139.08568	1.1
141.01837	25.7
141.06560	1.6
142.99690	1.1
159.02925	2.5
159.04517	1.6
161.00580	1.2
173.05615	1.3
173.09277	1.9
186.07626	2.7
197.21474	1.0
203.01926	68.8
203.06862	2.6
203.10410	2.4
204.02393	3.5
204.05112	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	203.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.9
57.03323	5.2
58.02853	3.3
58.59219	1.8
59.01247	8.0
60.99183	4.1
69.03327	92.1
69.94877	5.3
69.95300	7.4
71.01254	80.2
72.99185	9.7
73.02847	2.4
75.00749	8.1
79.01775	7.5
83.01286	4.7
84.61288	2.0
85.02812	12.1
87.00753	16.0
88.03933	2.2
95.01252	13.1
97.02833	100.0
97.06476	4.6
98.19763	2.3
99.00766	2.9
100.03928	3.0
111.00776	4.9
113.02332	5.2
115.00257	7.5
123.00769	5.8
123.89908	2.1
129.01839	4.6
129.05432	3.6
140.72337	2.2
141.01836	14.8
141.05478	2.3
143.04623	2.1
154.73808	1.9
160.89149	2.4
173.08153	2.2
173.33173	2.3
185.04497	2.2
203.01909	40.9
204.02330	2.5
204.08704	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	201.1127
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.49680	0.4
57.03319	0.7
58.00210	0.5
58.00460	2.8
58.02835	0.6
59.01244	1.8
65.01309	1.1
65.99743	0.5
69.03306	0.5
70.41914	0.4
71.01247	0.6
73.02820	1.2
82.03971	0.6
83.04916	0.5
85.02827	0.7
91.02830	0.4
97.02811	0.4
97.06446	0.7
98.19743	0.7
106.04029	0.7
116.02480	0.6
118.96432	0.4
119.02416	0.5
121.03983	0.6
123.08015	0.8
125.09618	9.0
126.09937	0.6
127.11181	14.9
128.11517	0.9
130.04010	0.4
131.03592	0.5
132.05588	1.0
133.03970	0.7
137.09615	1.8
139.11156	2.3
147.01872	0.6
148.05070	0.4
153.09142	1.0
155.10680	4.9
157.12259	0.7
159.02980	0.6
165.09137	5.3
171.10184	5.9
174.02977	0.5
174.06633	0.9
175.06183	1.0
181.08643	0.4
183.10187	2.9
186.05415	0.5
199.09694	4.6
201.11261	100.0
202.11600	7.7
218.82161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1333
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
51.29197	0.3
52.62126	0.4
54.19286	0.3
54.33071	0.3
57.03311	1.6
57.12402	0.3
59.01247	1.5
62.62571	0.4
65.01288	0.5
67.05409	0.5
69.03324	2.9
70.86975	0.6
94.91746	0.3
97.06477	0.4
99.00776	0.9
99.08060	0.5
101.43109	0.4
106.03999	0.5
111.04388	2.9
125.09618	1.7
130.04022	0.6
137.09631	0.7
145.03909	0.4
153.12711	0.5
155.10690	1.1
155.14383	0.4
157.05103	1.0
158.07155	0.4
163.11139	1.2
167.82472	0.4
169.12245	8.8
170.12526	0.7
171.06685	0.5
172.05072	0.8
172.07245	0.4
181.08708	0.9
181.12260	23.4
182.12651	2.3
197.11775	2.4
199.09763	3.5
199.13330	100.0
199.16951	2.7
200.13681	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	199.097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.4
65.01324	0.6
65.03838	0.6
67.05402	13.9
68.05727	0.8
69.03330	19.7
70.12553	1.6
81.03324	0.6
83.01262	0.5
83.04904	2.0
85.06487	0.5
109.06496	0.7
111.04407	100.0
112.04741	4.0
117.49612	0.5
119.08534	2.9
125.03663	0.4
125.09617	8.7
129.05510	0.5
135.08038	0.6
135.49069	0.4
135.50092	0.4
137.09572	2.1
155.10718	1.3
157.05188	0.7
169.08615	2.0
181.08630	19.5
182.08989	1.2
199.09712	11.4
199.13364	0.6
199.16907	0.7
200.10071	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1334
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03313	1.7
59.01250	1.0
66.24701	0.4
67.01766	0.6
68.99688	0.6
69.03339	2.7
71.01230	0.6
71.58333	0.7
73.02812	0.6
78.95776	0.7
79.03905	0.4
83.01273	0.6
85.02782	0.5
92.99712	0.9
99.00784	1.0
111.00777	1.5
111.04401	2.9
125.09628	1.4
127.00258	0.6
127.11164	0.6
137.09627	0.5
143.10596	0.4
153.09027	0.6
153.12729	0.7
155.10684	1.8
155.14354	2.0
156.89406	1.3
162.83803	1.1
171.10234	0.7
181.08647	1.2
181.12286	1.6
199.09680	5.3
199.13344	100.0
199.16977	8.0
199.80415	0.7
200.13692	8.3
200.17326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0969
Annotation	Stagonolide C
Peak:m/z	Relative Intensity
56.03403	0.5
57.03323	4.7
59.01255	0.6
65.03835	1.0
65.56376	0.6
67.05407	14.7
69.03330	16.1
69.30724	1.2
69.31137	5.7
70.03656	0.7
83.04900	1.3
111.04409	100.0
112.04741	4.1
119.08566	2.0
121.06448	0.8
125.09631	6.9
137.09644	1.5
142.61539	0.5
155.10669	0.7
169.08626	1.2
172.05093	0.7
181.08636	18.5
182.09030	0.9
199.09680	13.3
199.11360	1.0
199.13414	1.0
199.16985	1.2
200.09967	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.3
58.53582	0.2
59.01264	1.1
69.03339	2.7
69.35018	1.8
69.35427	0.3
71.01246	0.4
73.06916	0.2
80.59276	0.2
81.03358	0.3
83.04889	1.6
87.05671	0.2
97.06464	0.7
121.02843	0.3
123.00773	0.6
123.08049	0.6
125.09608	0.4
135.11684	0.4
137.09615	0.2
141.09113	0.9
151.11115	1.1
153.09129	2.1
153.12750	5.5
154.13058	0.5
161.09645	0.3
166.99774	0.7
167.10785	0.4
169.12262	20.8
170.12578	1.9
178.99728	0.2
179.10686	2.3
182.02132	1.0
197.11771	100.0
198.12103	8.4
212.47025	0.2
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
59.01241	1.3
67.79147	0.3
69.03323	2.5
83.04902	1.6
97.06434	0.3
103.97234	0.3
123.00754	0.5
123.08072	0.4
140.03780	0.3
141.09094	1.6
151.11188	1.3
153.09123	1.2
153.12750	5.1
167.10619	0.4
169.12259	20.9
170.12602	1.3
179.10689	2.4
182.02136	0.5
197.11765	100.0
198.12105	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	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.01786	0.3
55.01746	0.5
59.01232	1.2
62.92196	0.3
69.03321	0.8
69.37730	3.0
71.04899	1.1
73.15631	0.3
77.03609	0.3
83.04897	0.5
85.06483	0.5
94.04101	0.4
95.01273	0.9
95.04903	0.5
97.06474	17.2
98.06863	0.5
99.08047	4.7
109.02834	1.1
109.06470	1.0
111.08044	0.7
111.75957	0.3
116.04712	0.3
121.02866	0.5
122.03643	2.6
123.00745	2.0
125.02347	0.7
125.09631	0.7
126.03120	1.2
130.99181	0.5
137.09605	2.3
138.03137	0.8
151.11163	1.2
153.01855	0.4
153.12766	100.0
154.13109	7.2
166.99786	1.8
169.12280	0.7
176.72075	0.4
179.10713	20.9
180.11043	1.9
182.02145	3.4
196.98431	0.4
197.04456	1.2
197.08102	1.1
197.11778	11.3
197.15465	1.2
198.07658	0.5
198.12148	0.7
218.97427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0504
Annotation	D-Gluconic acid
Peak:m/z	Relative Intensity
55.01748	0.8
57.03318	4.7
58.00460	1.5
59.01252	21.8
59.83763	0.5
60.25835	0.5
61.01686	0.6
62.66246	0.6
66.03368	0.9
67.01758	0.7
67.02885	2.2
68.99693	0.9
69.03327	1.4
69.65101	4.1
71.01258	13.2
72.99184	7.1
73.02812	1.8
73.17560	0.6
75.00748	100.0
75.03242	0.7
76.01101	2.0
80.96384	3.8
83.01265	1.7
84.02065	0.6
85.02832	9.6
87.00757	15.1
87.03265	0.7
89.01183	0.5
89.02319	8.9
93.03333	0.8
96.95882	1.2
97.02835	1.0
98.02352	0.7
99.00764	8.9
100.01117	0.6
101.01187	1.0
101.02318	4.1
103.02746	1.3
105.01807	4.2
108.02047	0.6
111.00756	3.0
113.02315	1.3
115.03919	0.8
117.10432	0.5
121.02850	1.5
122.99130	1.0
125.02283	0.6
129.01837	23.9
130.02167	0.8
137.02332	3.7
141.01831	3.3
147.02914	1.3
150.03136	0.8
151.03896	1.5
159.02907	8.2
163.04947	1.5
165.01849	6.6
165.05544	0.6
177.03970	4.5
180.04202	3.4
194.99655	1.2
195.05045	44.2
196.05370	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	193.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86915	1.5
52.30772	1.3
54.64501	1.3
54.74602	1.2
55.01760	13.2
57.03335	9.3
57.32999	1.2
58.00460	6.6
59.01253	48.2
65.04602	1.3
67.01780	2.2
68.22930	1.2
68.99678	2.4
69.03328	25.9
69.15483	1.2
69.86798	7.8
71.01257	74.1
72.01592	1.9
72.99185	8.3
73.02821	73.0
74.03144	2.8
75.00745	4.0
79.01762	3.3
81.03340	6.6
83.01260	29.0
84.02033	2.7
85.02826	89.3
85.99965	12.4
86.03163	3.9
87.00752	63.9
89.02315	4.8
93.83163	1.2
95.01269	17.5
97.02831	40.4
99.00764	73.0
100.01067	1.9
101.02326	100.0
102.02660	4.5
107.01306	1.9
111.00782	7.9
112.01547	4.7
113.02330	19.4
115.03895	4.3
117.01827	4.2
123.00788	7.3
124.01514	3.9
125.02345	29.1
126.02690	2.9
127.03919	2.7
129.01804	2.3
140.01051	10.9
141.01840	26.3
142.02667	6.8
151.55899	1.2
155.03415	14.9
156.03690	1.2
159.02930	3.2
161.04468	93.6
162.04800	4.7
175.06032	4.1
178.02664	3.4
191.05525	3.5
193.07112	45.7
193.08829	2.8
194.07458	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	193.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	14.3
57.03333	13.1
58.00463	6.6
59.01257	53.6
61.81433	1.8
68.99689	4.1
69.03329	25.7
70.91939	3.1
70.92248	2.3
71.01258	87.0
71.53190	2.0
72.01590	2.2
72.99195	12.4
73.02824	84.0
75.00740	4.6
75.91357	1.8
79.01772	2.6
81.03337	7.6
83.01262	32.7
85.02831	100.0
85.99964	17.8
86.03165	3.0
87.00763	65.1
89.02313	3.8
93.78735	1.8
95.01267	20.9
97.02834	41.1
98.03138	2.9
99.00767	79.3
100.01086	2.6
101.02332	93.0
102.02647	3.5
111.00771	9.6
112.01531	3.6
113.02350	21.0
114.02658	1.5
115.03925	4.6
116.98990	2.4
117.01804	4.2
123.00788	11.7
124.01577	2.6
125.02343	31.3
127.03917	2.2
129.01852	2.6
140.01082	10.9
141.01849	25.0
142.02594	5.6
155.03418	16.1
159.02957	2.7
161.04480	90.7
162.04839	4.0
175.06010	5.9
179.58693	1.8
193.07106	39.7
194.07500	2.8
196.51221	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	193.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	6.3
57.03315	4.4
58.00473	2.7
59.01257	29.1
59.98473	1.0
67.01746	1.1
68.99675	1.3
69.03328	14.3
70.03675	1.0
71.01256	41.5
71.25282	1.9
72.01607	1.3
72.99198	7.5
73.02821	48.8
74.03177	1.2
74.23157	0.9
75.00739	2.3
79.01775	2.0
81.03336	5.1
83.01260	21.0
85.02826	52.1
85.99969	4.5
87.00753	41.7
87.01180	0.5
89.02315	3.7
95.01245	10.5
97.02835	23.6
99.00764	41.3
99.04464	1.3
101.02328	68.5
102.02639	1.3
107.01263	1.3
111.00757	4.2
112.01538	3.2
113.02332	11.1
115.03889	2.5
117.01809	2.7
123.00770	3.6
124.01534	2.8
125.02345	22.2
127.03916	1.4
129.01875	1.4
131.03313	1.2
140.01041	4.2
141.01839	21.2
142.02571	3.0
143.03479	1.0
155.03407	14.0
157.04994	1.5
159.02887	3.1
161.04471	100.0
162.04810	4.1
173.04556	1.5
175.06044	4.3
178.02657	1.5
191.05511	3.2
193.07118	55.6
194.07471	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	193.0711
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01757	7.1
57.03318	3.2
57.14827	1.8
58.00475	4.1
58.86386	1.9
59.01256	31.3
64.14309	2.0
66.64439	1.9
68.99679	1.8
69.03329	15.6
71.00085	4.1
71.00896	3.3
71.01258	38.1
72.99176	8.1
73.02821	52.9
74.03186	2.3
81.03339	5.4
81.41192	1.8
83.01260	17.4
85.02831	51.5
85.70634	2.7
85.99982	6.6
87.00758	39.9
89.02313	2.7
91.80995	2.0
95.01276	9.6
97.02837	21.6
99.00766	37.8
101.02325	72.5
101.02992	3.9
111.00809	4.4
112.01556	2.7
113.02332	12.8
115.03856	3.7
117.01833	4.6
123.00777	6.4
125.02354	21.2
127.03885	3.0
130.07570	2.0
131.03410	3.1
140.01047	5.3
141.01852	21.1
142.02573	4.2
143.71887	2.0
155.03403	13.9
159.02971	2.3
161.04472	100.0
162.04799	5.0
170.21111	2.3
175.06009	4.6
177.75450	2.0
191.05569	2.4
193.07123	58.6
194.07399	2.6
208.01364	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	193.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	10.2
57.03324	9.2
58.00462	3.0
59.01251	33.6
59.32700	1.4
68.99700	1.9
69.03321	19.3
70.33707	6.6
71.01254	57.8
72.99178	8.6
73.02821	59.5
75.00737	2.5
79.01754	2.6
81.00804	1.4
81.03336	4.0
83.01258	23.6
85.02822	65.3
85.99989	12.0
87.00750	51.8
89.02326	3.6
89.68287	1.4
95.01255	15.1
97.02824	29.7
99.00762	47.5
99.04460	1.4
101.02322	77.5
102.02637	3.0
102.65096	1.5
107.01293	2.1
111.00755	4.4
112.01524	4.6
113.02351	14.0
115.03895	3.6
117.01771	3.3
123.00769	5.4
124.01566	2.1
125.02344	21.3
129.01790	1.5
131.03438	1.9
134.03661	1.5
140.01042	6.3
141.01837	22.8
142.02660	2.9
155.03400	11.2
157.05034	2.0
159.02881	3.3
161.04463	100.0
162.04778	4.1
173.04591	1.7
175.05998	3.5
178.02646	1.7
191.05544	2.5
193.07120	57.0
194.07437	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	193.0712
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
51.72924	1.8
55.01754	9.1
57.03324	9.4
58.00473	6.4
58.37703	1.7
59.01254	52.5
61.20512	1.7
68.99700	5.2
69.03329	30.8
69.86504	5.6
69.86939	5.9
71.01259	82.7
72.01609	2.5
72.99189	8.9
73.02825	79.1
75.00755	5.7
79.01758	4.2
80.63887	1.8
81.03341	7.4
83.01266	33.0
84.02036	2.7
85.02834	87.7
85.99982	15.6
86.03166	2.4
87.00758	68.4
89.02324	5.8
95.01274	21.4
97.02836	40.6
98.03152	2.1
99.00770	73.0
99.04413	3.0
101.02332	100.0
102.02683	4.8
107.01314	2.0
111.00753	8.8
112.01566	7.0
113.02341	20.5
115.03920	5.6
117.01829	6.1
123.00803	10.6
123.01551	1.6
124.01566	3.4
125.02353	29.3
126.02635	1.7
127.03915	3.6
129.01808	1.7
139.00279	2.6
140.01074	10.7
141.01855	23.6
142.02597	5.9
155.03401	15.6
159.02925	5.1
161.04480	96.4
162.04811	4.3
175.06079	6.2
191.05579	2.4
193.07140	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0712
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01760	12.4
55.38884	6.5
57.03328	12.2
59.01255	75.4
59.43828	6.5
61.93697	6.6
65.28458	6.6
69.03355	36.2
70.33553	23.8
71.01262	90.1
72.99198	16.3
73.02824	84.9
81.03340	8.8
83.01263	25.6
83.09742	7.0
85.02831	95.8
85.99960	11.0
87.00767	73.7
89.02299	8.3
95.01266	12.0
97.02838	46.9
98.20466	9.2
99.00765	77.8
101.02337	100.0
111.00721	13.7
113.02342	28.5
115.02280	7.3
125.02359	34.0
140.01105	9.2
141.01859	20.9
155.03410	14.4
161.04500	67.1
170.84959	7.2
193.07129	34.0
201.12759	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	193.0711
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01760	6.1
57.03314	5.6
59.01252	26.9
62.86075	2.7
69.03342	12.6
70.03712	2.2
71.01255	36.1
71.25934	5.1
72.99191	5.0
73.02819	45.0
74.29398	2.0
81.03352	4.3
83.01255	18.4
85.02822	52.7
85.99964	10.2
87.00749	37.9
89.02299	4.7
92.14967	2.1
95.01257	6.0
97.02835	20.4
99.00757	39.1
101.02324	72.7
111.00751	4.6
112.01553	2.7
113.02309	12.0
117.01837	3.8
123.00756	5.3
125.02341	22.9
140.01036	4.9
141.01813	21.0
155.03391	11.3
159.02882	5.0
161.04468	100.0
162.04788	5.6
173.04352	2.1
175.06030	6.5
191.05400	3.9
193.07108	58.7
194.07443	2.9
212.18642	2.3
214.88718	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	193.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	7.9
57.03328	9.1
58.00476	1.9
59.01255	39.5
63.76980	1.2
67.30724	1.1
68.99693	1.8
69.03326	21.0
69.90084	5.1
69.90509	2.6
71.01257	59.4
72.99174	8.7
73.02821	62.8
74.03165	1.6
75.00745	1.8
79.01781	3.0
81.03333	5.6
83.01256	25.8
84.02061	2.3
85.02825	68.5
85.99982	10.0
86.03139	1.5
87.00754	52.7
87.04346	1.4
88.01602	1.4
89.02312	4.8
95.01271	14.0
96.07417	1.1
97.02833	27.8
97.78369	1.2
99.00764	55.9
100.01022	2.6
100.01593	1.6
101.02325	79.9
102.02643	2.8
102.39661	1.4
109.46545	1.5
111.00726	5.8
112.01540	3.6
113.02343	13.9
113.64366	1.3
115.03915	2.6
117.01819	3.9
123.00792	6.4
124.01632	1.5
125.02350	25.8
127.03914	2.1
129.01869	2.2
131.03384	1.5
131.07680	1.2
140.01027	6.2
141.01842	22.1
142.02644	3.5
152.57498	1.5
155.03400	16.0
156.03801	1.4
159.02904	4.6
161.04468	100.0
162.04877	6.2
175.06052	5.2
178.02643	2.9
191.05478	2.4
193.07117	49.4
194.07478	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	193.0711
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
52.95317	1.9
55.01762	10.9
57.03333	11.6
58.00477	6.4
59.01254	35.0
61.31743	2.4
68.99674	3.7
69.03329	23.2
69.03667	3.9
71.01257	69.5
71.25208	2.7
71.25534	2.7
72.99186	8.9
73.02823	58.6
75.00757	4.2
79.01772	5.1
81.03337	9.2
83.01260	22.5
85.02831	74.6
85.99981	12.7
86.03197	2.3
87.00753	59.3
88.01098	2.9
88.01593	2.0
89.02325	3.2
95.01280	18.4
97.02824	35.2
99.00761	59.4
101.02326	79.5
111.00763	8.1
112.01566	2.7
113.02339	13.2
115.03842	2.6
123.00770	8.0
124.01579	3.4
125.02342	29.3
129.01822	2.1
131.03456	2.1
140.01048	8.1
141.01830	26.7
142.02634	3.0
155.03452	15.7
159.02928	4.6
161.04472	100.0
162.04741	4.8
175.06041	6.2
178.02609	4.2
191.05556	4.5
193.07117	56.3
194.07388	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	193.0712
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01754	18.3
57.03315	16.8
58.00479	4.8
59.01252	66.9
60.01596	4.2
65.60187	3.2
66.81815	3.5
68.99696	4.3
69.03321	37.2
69.86423	16.7
71.01259	100.0
72.99193	9.4
73.02821	81.2
75.00746	5.8
81.03339	7.3
83.01254	41.1
84.02044	4.4
85.02827	94.2
85.99971	26.1
87.00758	72.6
89.02324	4.6
95.01269	27.5
97.02824	48.8
99.00762	87.7
101.02327	75.6
107.01249	5.1
111.00764	15.6
112.01553	10.2
113.02324	16.7
115.03882	4.9
123.00764	13.0
124.01567	6.9
125.02340	24.0
127.36945	2.9
140.01073	8.8
141.01843	17.3
142.02605	8.2
155.03442	7.3
161.04463	52.6
175.06007	3.5
179.50426	3.8
193.07158	24.8
202.80872	4.4
204.43216	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	193.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.7
57.03315	3.3
58.00447	2.2
59.01256	14.5
64.66323	0.6
65.99712	0.8
68.72737	0.8
69.03328	8.6
71.01257	23.5
72.99177	3.4
73.02819	22.4
74.71011	0.9
75.00751	1.3
79.01745	1.6
81.03338	1.0
83.01260	9.7
84.02067	1.1
85.02824	26.8
85.99947	3.7
87.00758	21.7
89.02307	1.3
93.03342	1.9
95.01266	6.1
97.02837	14.9
97.19543	0.9
99.00758	22.0
100.01077	1.1
101.02324	30.5
102.02634	1.2
106.04110	2.9
108.91960	0.8
111.00764	4.2
112.01550	2.0
113.02324	6.9
115.03895	1.7
117.01807	1.0
121.02841	4.0
123.00756	3.2
124.01601	1.0
125.02347	10.1
127.03902	1.8
129.01826	0.8
131.03477	0.9
133.02850	6.9
134.03633	100.0
135.03969	6.3
137.02350	18.5
139.03929	6.7
140.01038	3.0
141.01852	8.8
142.02559	1.6
149.02325	1.3
149.05988	20.0
149.09744	1.3
150.03133	2.9
150.06349	1.2
154.79286	0.7
155.03407	5.2
159.02821	1.1
161.04471	31.9
162.04832	1.8
165.01923	1.2
165.75456	0.7
175.06021	2.3
178.02637	63.3
179.03015	4.2
191.05515	1.3
193.01302	1.9
193.04987	20.4
193.07083	20.0
194.00974	0.7
194.05365	1.2
194.07556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
54.93810	0.2
55.01748	0.2
57.03318	0.9
59.01251	5.1
60.99164	0.4
66.85393	0.2
67.01761	1.6
69.03328	1.0
69.54856	0.6
69.55281	1.4
71.01257	3.3
72.98647	0.2
72.99168	0.3
73.02825	1.5
81.03333	2.0
83.01252	0.4
83.04903	1.9
85.02826	38.2
86.03172	1.4
87.00752	7.5
93.03340	13.7
94.03645	0.3
95.01261	0.4
96.02107	0.3
99.00751	0.5
99.04392	1.8
101.02287	0.3
108.02055	0.4
109.02849	3.2
111.00770	0.6
111.04401	3.5
113.02333	0.5
125.02322	0.4
127.03902	6.7
128.04253	0.5
130.14885	0.2
137.02344	0.8
153.01868	0.2
155.03377	0.5
171.02951	1.4
173.04466	2.8
176.01045	0.5
191.05544	100.0
192.05893	5.1
208.43123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0555
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
54.19940	0.4
57.03312	1.3
59.01252	5.8
60.99178	0.6
65.03841	0.4
67.01763	1.6
68.04053	0.3
69.03332	1.5
69.81689	2.4
71.01262	3.7
73.02823	1.6
81.03320	2.4
81.42661	0.3
83.01252	0.6
83.04897	2.1
85.02824	41.9
86.03172	1.0
87.00754	8.0
93.03337	13.1
94.03691	0.5
99.04421	1.7
101.02347	0.4
109.02850	3.5
111.00751	1.2
111.04409	3.1
113.02318	0.7
127.03909	6.7
137.02376	0.5
155.03412	0.5
171.02956	2.2
173.04480	2.3
176.01054	2.2
184.94447	0.4
191.05550	100.0
192.05904	5.3
208.22926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0555
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
59.01249	6.7
59.01538	2.5
59.58586	2.5
69.03294	3.0
71.01266	7.0
72.64238	2.3
73.02791	2.4
85.02829	44.9
87.00765	10.6
93.03345	14.9
100.40882	3.1
104.02566	11.6
109.02856	4.1
111.04375	4.1
119.04964	2.8
121.02807	4.4
127.03913	6.9
127.57632	2.6
135.04416	3.4
148.01591	14.4
176.01076	52.2
177.01480	5.5
191.03479	15.6
191.05539	100.0
191.07025	3.6
191.10657	13.2
192.05870	5.4
208.18683	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	191.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.2
57.03322	0.8
58.00471	0.4
59.01253	3.5
59.36663	0.2
60.99195	0.2
67.01765	1.4
69.03322	0.9
70.26384	0.7
71.01255	2.7
72.99191	0.3
73.02823	1.3
75.91596	0.2
81.03345	1.2
83.01254	0.4
83.04877	1.2
85.02826	29.0
86.03167	0.9
87.00755	6.9
93.03341	10.0
94.03684	0.3
95.01280	0.4
97.02824	0.4
99.00769	0.5
99.04402	1.0
102.99640	0.2
104.02544	0.5
108.02020	0.5
108.56269	0.2
109.02845	2.4
111.00774	1.7
111.04407	2.8
125.02426	0.3
127.03903	5.9
128.59102	0.2
129.01843	0.3
137.02345	0.5
148.01559	0.5
153.01837	0.3
155.03406	0.5
171.02899	1.5
173.04474	2.3
176.01086	2.8
191.05545	100.0
192.05881	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	191.0191
Annotation	5-Dehydro-4-deoxy-D-glucarate
Peak:m/z	Relative Intensity
51.76826	0.3
56.71154	0.3
57.03323	4.2
59.01264	0.7
60.38004	0.3
67.01746	0.7
69.61530	1.4
69.61960	1.2
73.02840	0.3
85.02827	24.9
86.03160	0.8
87.00752	38.0
88.01092	0.6
89.81123	0.3
93.03336	0.8
95.56633	0.3
101.02336	0.9
103.03891	0.6
111.00764	100.0
112.01105	4.1
121.73958	0.3
129.01823	6.5
130.02161	0.3
130.99780	0.8
147.02898	0.7
154.99713	0.8
162.04036	0.3
173.00818	1.7
173.04460	0.4
176.01071	0.8
191.01903	10.7
191.05547	6.1
192.05927	0.4
209.64436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	8.1
59.01250	1.6
67.01761	2.8
69.03343	0.6
70.59019	1.9
70.59398	0.9
71.01250	1.7
72.99185	1.1
73.02813	1.0
85.02825	36.4
86.03168	0.8
87.00757	61.8
88.01086	1.3
89.23354	0.6
93.03315	0.9
101.02337	1.7
105.00053	2.9
111.00768	100.0
112.01113	3.8
112.98761	0.7
118.97961	0.6
120.01124	3.1
127.03933	0.9
129.01826	4.6
130.07233	0.7
173.00806	0.8
173.04424	0.7
190.98740	0.6
191.01912	5.9
191.03880	1.2
191.05544	11.2
192.05930	0.6
200.07733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0969
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
57.03320	1.6
59.01253	92.4
65.01309	2.3
65.99719	1.7
91.02898	1.6
97.06454	3.5
99.08036	29.2
99.08648	2.2
106.03966	2.3
118.04028	2.6
123.08000	1.6
125.09611	16.7
127.07549	13.5
132.05557	1.9
133.03986	3.0
134.03496	1.7
144.04358	2.1
145.08614	100.0
146.03502	1.5
146.08975	5.8
157.53415	1.1
159.04405	1.5
160.05090	6.6
161.04625	1.4
187.03928	2.3
187.06149	5.3
187.09724	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	183.1384
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.07905	0.3
53.52789	0.3
67.97504	0.3
75.29013	0.3
183.13840	100.0
184.14180	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	187.0969
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
57.03329	4.5
59.01252	7.2
60.07886	0.4
65.01324	1.0
65.99725	0.4
69.03349	0.5
69.35551	1.8
69.35973	2.0
74.57668	0.4
77.73314	0.3
78.84850	0.4
80.02550	0.6
83.04884	0.9
91.02909	0.7
95.04911	0.9
95.38585	0.3
97.06471	13.3
97.07106	0.7
98.06777	0.8
99.08021	2.4
119.02425	0.4
123.08047	6.9
124.08371	0.5
125.09612	100.0
126.09953	6.6
127.07522	0.9
128.07939	0.4
133.03967	0.9
143.10660	2.1
145.05144	0.6
145.08594	7.0
160.05017	1.9
169.08617	2.3
187.06155	1.5
187.09680	30.3
188.10127	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	183.1384
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01265	0.5
64.01820	0.3
65.01321	0.4
67.01758	0.3
67.79626	0.3
69.03331	0.8
70.54590	0.9
71.01257	0.4
76.59290	0.2
79.05423	1.6
83.04914	0.4
89.01313	0.3
95.01268	0.3
95.04889	0.4
103.54311	0.3
111.00794	0.4
111.41546	0.3
112.03943	0.6
121.06494	0.4
124.01569	0.6
130.04042	0.4
137.02261	0.3
139.07516	0.3
139.11169	0.4
142.04012	0.4
143.04781	0.6
156.05591	1.2
157.03955	0.3
157.05113	1.2
165.01913	0.3
165.12802	0.4
168.00542	0.8
183.02992	1.7
183.06642	1.3
183.13844	100.0
184.06232	0.7
184.14188	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	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.61391	0.2
60.20750	0.3
69.37384	2.4
94.02847	0.3
121.06560	0.3
139.07504	0.4
139.90933	0.2
142.04001	0.3
156.05562	0.4
165.12717	0.2
179.60254	0.2
183.02953	0.6
183.06580	0.7
183.13837	100.0
184.14175	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	181.1228
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
55.01747	0.4
57.03333	0.3
59.01263	2.4
65.00192	1.2
67.94082	0.3
69.03333	0.4
69.43417	0.7
69.43822	2.4
71.01263	2.6
73.02833	0.4
82.41801	0.3
83.04899	1.0
85.02830	0.3
89.02315	1.0
93.03342	2.9
95.01299	0.7
97.02850	0.7
97.06458	0.5
99.30772	0.3
101.02322	1.2
108.02045	0.3
109.02840	4.4
109.06506	0.6
111.04411	0.6
113.02265	0.4
115.71033	0.4
121.06510	0.4
123.00755	1.7
125.09592	1.3
135.04370	0.4
136.98668	0.5
137.02348	1.7
137.05994	0.8
137.09618	0.7
138.06773	1.6
139.07570	0.4
139.11230	0.5
151.00279	6.0
152.00641	0.4
153.01848	0.3
153.12732	2.6
163.09991	0.4
163.11234	4.3
164.11472	0.5
165.09132	2.5
166.02641	8.6
166.09795	0.5
170.05779	8.8
179.05840	0.3
179.10704	1.0
181.01392	1.1
181.05107	1.9
181.07077	1.2
181.12271	100.0
182.12619	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	181.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.9
57.03326	4.3
59.01256	13.6
61.50664	1.5
65.00190	7.1
67.01768	1.8
67.05400	2.3
69.03330	9.6
71.01263	18.6
71.04897	3.5
71.57935	2.0
73.02815	9.4
81.03327	3.9
83.01261	2.5
83.04892	4.7
83.81205	1.5
84.02048	8.8
85.02825	2.7
89.01163	1.6
89.02339	8.1
91.01841	1.3
92.97608	2.0
92.99693	1.7
93.03355	15.8
94.02845	1.3
95.01260	2.8
95.04927	2.4
97.02843	6.5
97.06484	5.7
98.03651	2.1
101.02335	9.8
101.60948	1.3
107.04945	2.1
107.51994	1.5
109.02851	6.3
109.06486	2.7
110.02350	2.1
111.04417	2.4
119.04935	1.6
122.03637	2.4
123.00793	12.0
123.08036	2.0
125.02393	1.7
125.09608	15.2
134.87653	1.5
135.08060	2.9
136.98750	2.2
137.02335	10.9
137.06013	4.6
137.09656	3.2
145.10141	4.7
151.00294	40.5
151.11145	7.7
152.00558	2.2
153.01852	3.9
153.12770	16.7
154.13112	2.1
161.09674	7.4
163.11211	21.4
166.02638	40.6
167.02997	4.0
168.78284	1.4
179.10704	36.5
179.12213	2.9
180.11037	3.5
181.01320	5.4
181.04913	9.6
181.07121	5.0
181.08565	9.1
181.12280	100.0
182.12627	8.0
183.16858	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	179.0554
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
51.92258	0.5
53.37490	0.5
58.00462	0.7
59.01254	9.3
62.42513	0.4
68.99683	0.6
69.03336	0.8
70.06628	0.4
71.01256	7.4
71.04900	2.3
72.99182	11.6
73.02821	6.7
75.00748	100.0
76.01088	1.3
77.96448	0.4
79.30814	0.4
81.03326	5.8
83.71287	0.5
84.02048	0.4
85.02818	1.5
87.00753	12.3
89.02323	1.9
92.03826	0.5
97.02804	0.8
98.20551	1.1
99.00745	4.4
99.04414	2.3
101.02316	0.7
112.39775	0.4
115.03913	0.4
115.38007	0.4
117.01845	1.2
120.71859	0.5
125.02363	1.1
135.04405	0.9
143.03395	11.1
151.07504	0.5
161.04486	5.6
161.21465	0.5
179.05540	30.7
180.05882	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72682	0.5
55.64031	0.4
55.78876	0.6
55.88245	0.5
59.01259	0.8
63.02274	64.7
64.02615	2.7
65.00200	35.1
66.00540	0.6
69.90537	1.6
69.90950	1.7
71.01271	0.9
75.00752	1.1
83.01263	28.0
83.89711	0.7
83.90234	0.5
84.01582	1.5
85.02833	1.1
87.00750	3.6
95.01277	0.6
98.20537	0.6
99.00763	1.5
101.02350	0.5
107.01280	60.7
108.01615	3.4
125.02354	0.6
135.04378	0.7
151.00285	100.0
151.07602	0.7
152.00601	4.4
161.04518	2.2
164.01057	0.7
169.01352	35.5
170.01688	2.1
178.99797	37.7
179.05536	2.4
179.07016	1.0
180.00131	2.1
180.03093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
63.56729	0.3
65.56641	0.3
69.03355	0.4
71.01268	2.4
71.11777	0.5
71.12113	0.5
72.99197	0.7
73.02796	0.7
75.00768	0.6
78.95392	0.3
78.95774	2.1
83.01239	0.4
85.02851	1.5
87.00760	7.0
87.01273	0.5
89.02324	0.4
92.19258	0.3
94.02865	0.4
97.02837	0.4
99.00782	1.7
101.02361	0.6
107.01276	0.4
117.01840	0.9
119.93645	0.4
121.02825	0.3
125.02319	0.6
134.96002	1.9
135.04463	1.0
136.93921	100.0
137.93996	9.6
141.01813	0.4
145.41791	0.3
151.07561	0.9
151.92635	13.0
152.92673	1.5
154.94994	1.2
161.04489	3.0
164.01053	0.6
177.52379	0.3
178.94997	39.9
179.05518	2.1
179.07004	0.6
179.10698	0.3
179.95102	4.1
196.65167	0.3
196.96056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.3
55.47488	0.8
57.03324	6.8
58.00462	2.7
59.01255	71.1
60.01577	1.7
67.01773	1.7
68.99702	4.7
69.03332	54.1
69.97422	4.1
70.03662	1.3
71.01257	56.9
71.04896	5.8
72.00780	1.2
72.01594	1.5
72.99184	20.8
73.02822	16.1
75.00752	11.2
83.01261	8.9
83.04939	0.8
84.02057	1.7
84.99213	0.8
85.02833	23.9
85.03359	1.6
85.99960	0.9
86.03171	1.1
87.00759	100.0
87.04397	33.7
88.01086	3.2
88.03914	3.7
89.02314	1.6
89.04239	1.6
93.03329	1.0
95.01270	2.0
95.04928	1.0
96.99201	4.5
97.02841	2.8
98.02339	0.7
99.00779	8.0
100.98692	1.3
101.01184	0.8
101.02338	3.0
103.00256	7.2
104.03432	1.1
111.00795	1.9
111.04435	1.3
112.98699	1.5
113.01221	1.5
113.02338	27.8
113.05923	1.1
114.02692	0.8
115.00264	42.1
115.03902	46.4
116.04247	2.1
117.01845	9.1
124.01579	1.1
124.98720	8.3
127.00255	6.5
129.01836	3.0
130.99760	2.7
131.03432	7.1
132.02916	1.1
133.04971	66.1
134.05327	1.5
138.78722	0.8
142.99770	2.2
145.00226	1.6
145.01320	2.8
157.01344	65.7
158.01683	3.0
175.01016	0.9
175.02444	15.3
175.03867	1.1
175.06046	8.0
176.03180	1.2
176.62340	0.8
181.70552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01759	3.3
55.47488	0.8
57.03324	6.8
58.00462	2.7
59.01255	71.1
60.01577	1.7
67.01773	1.7
68.99702	4.7
69.03332	54.1
69.97422	4.1
70.03662	1.3
71.01257	56.9
71.04896	5.8
72.00780	1.2
72.01594	1.5
72.99184	20.8
73.02822	16.1
75.00752	11.2
83.01261	8.9
83.04939	0.8
84.02057	1.7
84.99213	0.8
85.02833	23.9
85.03359	1.6
85.99960	0.9
86.03171	1.1
87.00759	100.0
87.04397	33.7
88.01086	3.2
88.03914	3.7
89.02314	1.6
89.04239	1.6
93.03329	1.0
95.01270	2.0
95.04928	1.0
96.99201	4.5
97.02841	2.8
98.02339	0.7
99.00779	8.0
100.98692	1.3
101.01184	0.8
101.02338	3.0
103.00256	7.2
104.03432	1.1
111.00795	1.9
111.04435	1.3
112.98699	1.5
113.01221	1.5
113.02338	27.8
113.05923	1.1
114.02692	0.8
115.00264	42.1
115.03902	46.4
116.04247	2.1
117.01845	9.1
124.01579	1.1
124.98720	8.3
127.00255	6.5
129.01836	3.0
130.99760	2.7
131.03432	7.1
132.02916	1.1
133.04971	66.1
134.05327	1.5
138.78722	0.8
142.99770	2.2
145.00226	1.6
145.01320	2.8
157.01344	65.7
158.01683	3.0
175.01016	0.9
175.02444	15.3
175.03867	1.1
175.06046	8.0
176.03180	1.2
176.62340	0.8
181.70552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0241
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01758	2.1
57.03324	2.9
58.00452	2.3
58.31859	1.2
59.01254	41.5
62.60144	1.0
67.01739	1.5
68.99693	8.5
69.03336	11.1
69.61357	3.6
69.61780	5.4
71.01257	44.6
72.99185	9.5
73.02814	6.8
74.02375	1.1
75.00753	4.6
83.01265	4.8
84.02042	2.3
85.02824	13.6
85.99994	1.4
87.00754	100.0
87.04408	2.7
89.02317	1.6
93.03323	1.4
95.01269	3.0
96.99188	5.8
97.02861	4.9
99.00761	9.9
99.04391	2.0
100.01581	1.6
100.98685	3.7
101.02360	1.7
104.02568	1.5
107.02826	1.1
111.00796	1.5
112.98681	1.6
113.02330	3.7
113.05993	2.1
113.11069	1.0
115.00274	27.6
115.03926	4.7
116.00539	1.1
117.01849	4.4
124.98704	14.5
125.02357	2.2
127.00281	1.3
129.01849	3.7
130.99750	6.7
142.99754	3.2
145.01352	4.6
145.37956	1.2
157.01335	7.6
158.29910	1.4
161.00887	1.2
175.02405	4.5
175.03831	2.1
175.06075	5.4
175.07529	2.4
176.03279	5.5
180.94708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0241
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
52.43195	3.9
55.01767	8.2
57.03315	9.0
58.00476	7.4
58.20686	4.2
59.01256	50.2
64.65581	3.8
68.99687	12.6
69.03331	26.5
70.80198	8.7
70.80572	9.3
71.01261	57.9
72.99181	18.9
73.02827	12.7
75.00751	9.4
83.01254	16.5
84.02052	15.5
84.80114	4.6
85.02844	27.9
85.06451	4.7
87.00761	100.0
87.04429	9.4
95.01273	9.8
97.02813	13.0
99.00759	24.1
100.01540	5.9
100.98710	30.1
101.02329	5.4
102.90363	4.8
104.02507	6.2
113.05956	5.6
115.00265	34.5
115.03900	33.4
124.01556	7.4
125.02372	9.5
126.54017	4.1
127.97417	28.3
131.04953	4.9
133.04967	9.2
147.00810	5.1
148.01541	7.7
157.01370	15.6
171.67844	3.8
175.02473	9.0
175.03838	8.0
175.06131	29.7
175.94365	4.0
176.01065	10.6
176.03433	5.3
194.06987	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	173.0448
Annotation	Shikimate
Peak:m/z	Relative Intensity
57.03326	4.3
58.00464	0.7
59.01259	6.3
60.99171	2.5
65.01324	1.3
65.03830	1.0
67.01763	21.9
68.02060	0.5
68.99687	0.5
69.03334	5.2
69.80215	0.4
71.01257	12.7
71.04888	0.9
71.58133	0.4
72.99200	1.1
73.02827	3.8
81.03332	5.7
83.01274	0.6
83.04904	9.9
83.05360	0.4
85.02826	3.8
85.06464	0.7
87.00768	1.6
93.03342	100.0
94.03668	4.1
95.01270	1.3
96.02089	0.5
97.02821	0.9
99.00790	2.8
99.04407	1.8
109.02834	3.0
111.00769	1.4
111.04410	38.3
111.08048	1.5
112.04751	1.8
112.98683	0.6
113.01595	0.4
113.02366	0.8
115.03903	0.4
119.02387	0.7
124.98674	0.5
127.03929	3.7
129.01852	0.8
131.07028	1.7
131.09047	0.9
137.02327	2.5
139.33307	0.4
145.02864	0.6
146.03487	1.1
155.03413	32.8
156.03752	1.4
173.04488	64.3
174.04782	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	174.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05247	3.5
57.03326	5.4
59.01249	28.6
65.01309	18.1
65.99721	11.7
67.01737	6.4
68.01283	5.7
68.02084	8.8
68.72736	3.5
69.03284	4.0
69.94586	18.2
71.01254	41.7
72.12282	4.1
72.99177	13.3
73.02806	10.8
83.01261	7.7
83.05589	4.3
85.02829	12.8
85.06432	4.0
87.00754	100.0
89.01346	3.8
91.02934	4.0
93.03329	15.9
94.03668	51.0
97.02812	4.0
98.19836	5.3
99.00755	5.9
106.02899	4.1
106.04012	11.7
112.04756	9.3
113.02355	5.0
113.05954	4.4
115.00263	81.5
115.03914	8.4
119.02422	4.2
119.04916	4.6
131.03543	6.0
131.06978	4.7
132.01974	8.2
132.05589	9.1
133.03940	8.8
133.05014	7.0
134.02477	3.9
134.03503	13.3
146.02338	6.5
146.03415	5.1
147.01944	6.8
147.04330	5.3
147.08061	4.1
148.05035	17.2
156.03775	5.2
157.05081	5.8
160.01495	8.0
174.01677	16.0
174.03075	9.1
174.04826	20.9
174.06648	5.0
175.02405	26.7
175.03914	16.1
175.06110	20.9
175.07489	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	173.0447
Annotation	Shikimate
Peak:m/z	Relative Intensity
55.77905	0.4
57.03071	0.4
57.03326	3.5
58.00456	0.7
59.01254	6.2
59.55116	0.4
60.99179	2.2
63.47374	0.3
65.01311	1.6
65.03818	0.6
65.86565	0.3
65.99733	0.6
67.01762	22.4
68.02102	0.7
68.99693	0.4
69.03324	5.5
69.52119	3.1
71.01256	13.1
71.04887	0.6
71.60458	0.4
72.99168	0.6
73.02813	2.7
81.03335	4.9
83.01254	0.7
83.04899	7.8
85.02829	3.1
85.06466	0.7
87.00754	1.4
93.03336	100.0
93.27283	0.4
94.03671	4.3
95.01233	0.9
97.02815	1.1
98.20537	0.4
99.00757	1.5
99.04385	2.0
106.03989	0.5
109.02843	3.6
111.00774	1.8
111.04404	28.5
111.08030	1.2
112.04725	1.1
113.02348	1.0
115.03899	0.7
119.02407	0.8
125.02340	0.3
127.03894	2.6
129.01846	0.7
130.03973	0.6
131.03543	0.7
131.07028	1.5
132.05634	0.5
133.01151	0.4
137.02315	2.1
146.02409	0.4
146.03464	2.3
155.03409	19.8
156.03725	0.8
173.04475	90.2
174.04893	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	173.0447
Annotation	Shikimate
Peak:m/z	Relative Intensity
50.45380	0.4
51.36597	0.4
54.28112	0.4
55.01760	0.5
57.03323	3.8
58.00473	1.1
59.01255	7.1
60.99176	3.2
61.84918	0.3
62.87167	0.4
65.01315	2.4
65.03830	0.4
65.99732	0.6
66.00852	0.5
67.01762	23.2
68.99699	0.6
69.03333	5.0
71.01257	11.5
71.04914	0.5
71.57231	0.7
72.01619	0.5
72.99176	1.3
73.02831	1.8
75.00742	0.7
77.01314	0.5
81.03334	4.1
83.01259	1.1
83.04900	6.4
85.02821	3.0
85.06477	0.6
87.00758	1.1
91.02902	0.4
93.03339	100.0
94.03665	4.9
95.01252	0.7
97.02827	0.5
99.00742	1.9
99.04407	1.3
106.03929	0.5
108.01981	0.4
109.02847	3.6
111.00768	1.7
111.04411	20.9
111.08046	2.0
112.04756	0.9
113.02344	1.1
113.05961	0.6
117.01799	0.4
119.02399	1.7
125.33430	0.4
127.03895	1.6
129.09071	0.5
130.04025	0.8
131.07036	2.4
132.05614	0.4
137.02364	2.1
143.03493	0.5
145.02817	0.7
146.03493	2.6
147.01936	0.6
151.92024	0.4
155.03416	11.4
155.04695	0.7
156.03714	0.7
173.04482	74.0
174.03114	0.7
174.04828	3.7
174.06349	0.4
191.57323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0448
Annotation	Shikimate
Peak:m/z	Relative Intensity
57.03321	3.5
58.00473	0.6
59.01260	4.3
60.99186	2.9
65.01318	1.3
65.03827	0.6
65.99719	0.4
66.00836	0.4
67.01765	23.7
68.02126	0.5
68.99690	0.5
69.03335	4.9
71.01261	10.7
72.99175	0.4
73.02834	0.8
81.03340	3.0
83.04893	3.5
85.02833	2.3
87.00740	0.7
90.00873	0.5
93.03342	100.0
94.03677	3.6
95.01273	0.8
96.02061	0.5
98.20540	1.3
99.00751	1.4
99.04415	0.9
99.74646	0.4
108.02043	0.6
109.02852	3.2
111.00771	1.5
111.04412	10.7
111.08064	1.9
112.98715	0.5
113.02332	1.1
115.03847	0.5
116.02415	0.4
119.02398	1.0
123.00806	0.3
123.21532	0.3
127.03883	0.5
130.03990	0.5
137.02350	2.0
145.02869	0.6
146.02347	0.4
146.03490	1.1
147.05431	0.5
155.03398	2.9
165.88507	0.4
173.04485	69.8
174.03233	0.6
174.04788	3.8
192.24414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12609	0.6
55.01766	4.4
57.03330	8.6
58.02852	7.2
59.01253	7.2
60.99166	2.3
65.00189	1.0
66.03367	1.9
67.01764	23.7
67.03693	2.8
68.01276	1.4
68.02087	0.6
68.99697	6.2
69.03330	5.0
70.02856	2.3
70.75300	1.5
70.75665	1.5
71.01256	37.0
72.01596	0.8
72.99183	16.5
73.02825	5.9
74.02349	9.1
75.00745	6.7
78.95770	1.4
81.03333	2.4
82.02847	1.6
83.01266	11.0
83.04897	2.4
84.04411	1.7
85.02827	13.1
85.99976	1.6
86.03181	1.5
87.00754	13.9
87.05537	0.9
88.01083	2.1
88.03936	1.2
89.02319	2.2
93.03341	68.2
94.02866	4.7
94.03683	2.4
95.01255	2.5
96.00788	2.5
96.96852	2.5
96.99197	1.7
98.02347	3.8
99.00755	14.3
101.02321	1.6
109.02822	1.4
109.58111	0.7
110.02362	3.5
111.00767	100.0
111.02731	5.3
111.04405	8.9
111.05541	0.9
111.08053	2.5
112.00390	1.3
112.01084	4.1
112.03941	10.7
113.00610	0.8
113.02330	2.8
113.03444	1.9
114.01877	3.3
115.00259	4.0
117.00368	0.7
123.00781	1.9
124.61562	0.8
124.98689	1.8
127.00272	11.1
129.01837	2.2
129.07417	1.3
130.02238	0.9
130.04890	0.9
131.04549	1.7
131.08154	1.6
133.01309	1.4
137.02318	1.1
138.01883	1.6
140.00992	1.2
142.99771	6.6
154.99777	9.8
155.03499	4.4
155.04558	4.0
156.02890	3.6
173.00922	6.9
173.04471	35.8
173.07977	1.1
173.11763	0.9
174.03865	5.4
178.26379	0.7
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	cis-Aconitate
Peak:m/z	Relative Intensity
53.00185	1.7
55.01763	9.5
57.03325	9.3
58.02848	7.1
59.01257	5.2
59.04596	0.7
67.01768	11.2
68.69026	0.7
68.99692	9.2
69.03329	2.7
69.65025	6.7
71.01256	82.6
71.04881	1.2
72.01587	2.3
72.99183	7.4
73.02817	9.8
74.02346	1.6
75.00743	2.7
80.99708	1.0
81.03349	1.1
83.01256	14.8
83.04885	3.2
85.02825	51.8
85.06461	3.0
86.03162	2.0
86.05965	1.1
87.00741	4.9
87.05544	1.1
88.03912	10.2
93.03336	28.1
94.03648	1.3
95.01281	1.3
96.99192	5.2
97.02848	1.0
99.00755	31.6
99.04357	2.1
100.01138	0.9
100.07583	1.8
101.02328	3.2
101.07893	1.4
102.05523	1.2
111.00764	100.0
111.04399	12.1
112.01092	3.6
112.03938	2.2
112.98694	11.5
113.02334	1.1
114.01864	2.0
115.00204	3.9
123.00757	1.0
124.98700	20.9
125.02368	1.0
125.99043	0.9
128.07071	1.8
129.01826	10.6
129.05469	1.5
130.04997	1.0
132.06638	0.9
137.02383	1.7
140.98238	1.1
142.99767	41.4
144.00154	2.0
144.48074	0.8
154.99782	6.9
155.03380	4.3
173.00826	8.5
173.02214	1.3
173.04466	18.3
174.07634	2.2
180.39481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00194	2.2
55.01764	7.9
57.03331	8.2
58.00459	1.4
58.02845	3.4
59.01249	8.2
60.96103	0.8
60.99163	3.4
67.01764	26.7
68.02110	1.0
68.99684	6.6
69.03336	5.8
69.56374	3.2
69.56802	2.6
70.02832	0.7
71.01257	100.0
72.01586	2.3
72.18584	0.7
72.99184	7.0
73.02817	9.8
74.02354	3.5
74.30471	0.8
75.00740	5.7
80.99707	1.8
81.03339	3.9
83.01257	12.9
83.04904	5.6
84.04427	1.1
85.02829	10.3
85.06466	2.7
85.99979	1.7
87.00757	7.2
87.04438	0.8
87.05507	1.3
88.03946	2.0
89.02337	1.0
91.00801	0.8
91.89843	0.7
93.03340	82.8
94.03670	4.3
95.01250	5.2
96.99194	8.4
97.02850	1.3
98.19868	1.0
99.00763	31.8
99.04404	2.4
100.01077	0.8
100.07585	0.8
100.98689	1.1
101.02332	2.7
102.05487	0.8
109.02834	2.2
109.06471	0.9
111.00768	55.3
111.04411	13.8
111.08041	4.3
112.01133	2.5
112.03928	2.3
112.98692	11.2
113.02282	3.7
114.01872	1.6
115.00258	4.7
115.03944	1.4
121.14034	0.8
123.00792	2.9
124.98704	30.8
125.99043	0.9
127.07544	1.3
128.07027	0.8
129.01826	3.9
129.05464	3.6
131.08121	1.3
137.02373	1.9
140.01115	1.3
142.99774	40.3
144.00099	2.0
145.74377	0.8
146.02370	1.0
154.99739	2.3
155.03435	3.5
155.04587	1.4
173.00862	7.1
173.02229	1.2
173.04474	22.2
173.08099	1.9
173.09364	0.9
173.11842	1.0
174.01582	0.7
174.07623	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0083
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
52.11544	0.9
53.00187	1.1
55.01758	6.5
57.03323	7.9
57.90788	0.8
58.00446	1.5
58.02846	4.1
59.01255	7.4
60.99174	3.3
67.01762	25.0
68.02100	0.9
68.81186	1.0
68.99688	8.8
69.03333	7.7
70.02861	1.1
71.01255	100.0
71.04893	1.1
72.01587	1.8
72.99186	7.8
73.02822	10.8
74.02338	3.0
75.00745	6.1
80.99676	2.0
81.03337	1.9
83.01263	14.5
83.04914	3.0
85.02828	15.8
85.99971	3.0
86.03136	1.0
86.06020	0.9
87.00756	6.7
87.04404	1.2
87.05553	1.7
88.03913	3.4
89.02345	1.2
93.03337	89.5
94.03646	4.8
95.01284	6.5
96.99171	5.6
97.02832	2.1
99.00758	36.2
99.04410	1.4
100.07571	2.3
100.98709	1.9
101.02336	4.9
101.07894	1.3
109.02812	1.6
111.00765	78.1
111.04404	11.1
111.08058	4.4
112.01115	3.0
112.98689	6.7
113.02354	8.3
115.00262	6.1
115.86835	0.9
116.07064	1.6
123.00799	4.6
124.98705	26.3
125.99162	0.9
127.03868	1.5
128.07042	2.6
129.01837	5.6
129.05453	1.1
129.10260	4.0
137.02373	2.2
140.98228	1.1
141.01851	1.0
142.99770	40.8
144.00089	2.0
145.02863	1.5
147.36639	0.9
154.99802	4.4
155.03366	3.4
173.00899	11.3
173.02223	1.9
173.04475	40.8
173.09233	2.3
174.04831	1.6
174.07697	2.5
174.11354	2.3
186.31609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0972
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
57.03315	1.4
58.02850	2.2
59.01254	2.4
60.99171	1.4
65.01318	1.4
65.03787	0.5
65.99730	0.7
67.01763	12.8
69.03333	3.3
71.01257	4.8
71.57929	0.5
72.80692	0.4
72.99197	1.1
73.02840	0.8
74.02340	0.4
75.00752	0.5
81.03336	1.7
82.06501	0.4
83.04908	2.7
85.02823	1.1
87.00752	0.9
89.01376	0.4
93.03339	46.1
95.01262	0.9
99.00773	1.2
109.02849	1.2
111.00770	1.3
111.04398	6.0
111.08053	1.6
112.98741	0.4
119.02406	0.6
127.03891	0.5
128.10709	4.8
130.08635	100.0
131.03482	0.6
131.07053	0.5
131.08977	5.1
135.58629	0.4
137.02338	0.6
143.03532	0.5
144.04463	0.9
145.02907	0.5
145.03951	0.6
146.03508	1.3
155.03413	2.9
155.04469	0.4
172.03822	0.7
172.05043	0.7
172.06342	0.5
172.09679	11.6
173.04486	20.5
173.05997	1.0
173.08037	0.7
173.10039	0.9
173.11688	0.5
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	N-Acetylisoleucine
Peak:m/z	Relative Intensity
50.13740	0.3
50.18266	0.2
51.28817	0.4
55.01770	0.3
57.03313	1.4
58.02846	1.3
59.01260	3.0
60.99176	1.5
64.26086	0.3
65.01303	1.7
65.99715	0.7
67.01397	0.7
67.01762	12.4
69.03326	2.9
71.01256	5.1
71.44753	0.7
72.99200	0.4
73.02814	1.0
77.52375	0.3
81.03336	1.5
82.06494	0.4
83.01268	0.6
83.04914	2.3
85.02821	1.2
87.00744	0.6
90.00862	0.4
93.03340	51.1
97.02840	0.5
99.00776	1.0
99.04380	0.7
105.04424	0.3
106.04017	0.7
109.02847	1.3
111.00748	0.9
111.04403	7.9
111.08038	1.6
112.98653	0.5
113.02322	0.5
118.04000	0.5
119.02463	0.5
127.03918	0.7
128.10709	2.2
130.08638	100.0
131.03546	0.6
131.07056	0.7
131.08989	5.1
137.02293	0.7
142.47208	0.3
143.03522	0.7
144.04424	1.1
144.68054	0.3
145.03969	0.9
145.05020	0.4
146.03532	1.1
154.99837	0.7
155.03409	4.4
172.03857	0.4
172.05032	0.6
172.06317	0.6
172.09706	9.8
173.04488	28.4
173.11758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29776	0.2
57.03337	1.0
58.02856	1.5
59.01247	2.0
60.99194	0.9
65.01341	0.8
65.82788	0.3
65.99727	0.3
67.01765	6.6
69.03337	1.8
71.01250	4.0
71.57324	0.3
72.99192	0.6
73.02843	0.7
80.06687	0.2
81.03349	0.9
82.06485	0.5
83.04892	1.4
85.02834	0.8
85.99951	0.2
87.00774	0.5
93.03338	32.1
93.70186	0.3
99.00779	0.9
99.04436	0.3
99.08050	0.7
105.04486	0.3
105.61837	0.2
109.02849	1.0
111.00777	0.6
111.04414	4.8
111.08027	1.0
112.98712	1.2
113.02295	0.3
119.02409	0.3
123.00752	0.3
124.98627	0.3
128.10715	2.7
129.09111	0.4
130.08633	100.0
131.07042	0.4
131.08995	4.4
137.02361	0.7
142.99783	0.8
143.03534	0.3
144.04431	0.8
145.03986	0.5
145.05055	0.3
146.03487	0.9
155.03398	2.4
172.03860	0.4
172.09697	9.7
173.04472	18.4
173.10037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78759	1.5
55.01765	3.8
56.40231	1.5
57.03321	8.6
58.02848	2.7
59.01260	4.5
60.99148	1.3
66.03362	57.1
67.01764	18.1
67.03712	2.9
68.01287	3.5
68.99689	5.1
69.03337	2.7
70.02830	1.9
71.01266	22.4
71.01659	1.8
71.56210	1.4
71.56607	1.9
72.99185	31.2
73.02825	4.4
75.00764	2.1
78.95779	11.5
82.02868	15.4
83.01258	7.8
83.04887	1.7
85.02832	31.3
87.00758	74.6
93.03342	46.8
93.36111	1.3
96.96851	7.1
98.02333	2.8
99.00768	12.0
100.03902	1.4
101.02344	2.1
110.02375	100.0
111.00773	77.4
111.02721	3.1
111.04396	6.4
111.07985	2.2
112.00297	18.4
113.02296	3.3
115.00249	2.3
122.68486	1.4
124.98656	1.9
126.05511	5.0
127.00273	9.2
128.03413	5.5
128.07080	21.2
129.01822	5.1
142.99800	4.8
154.01337	2.6
154.99825	9.6
155.03387	4.2
155.04591	3.1
172.02449	23.0
172.06064	13.2
173.00813	3.9
173.02325	1.4
173.02794	1.6
173.04475	26.1
173.05835	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	170.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90982	0.7
52.01766	0.9
57.03332	1.0
59.01252	1.7
65.01324	2.9
69.23736	9.2
71.01257	16.4
71.04891	2.3
71.36922	0.7
72.99177	2.2
81.02087	3.4
85.06487	1.4
89.01324	2.3
98.02364	1.2
98.05975	1.2
99.08039	1.7
102.88862	0.8
105.04440	1.8
108.08103	1.3
116.17434	0.8
124.07582	36.2
125.07920	1.3
125.09606	5.0
127.07524	0.7
127.11181	8.0
130.04051	1.3
134.74719	0.6
143.03516	1.6
144.05588	2.7
153.09151	2.7
159.66101	0.7
170.04643	0.8
170.08159	29.8
171.01865	1.6
171.06683	4.4
171.10188	100.0
171.13869	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	168.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	100.0
59.03188	1.7
60.87415	0.3
65.93890	0.4
69.03350	0.6
70.02856	0.6
83.04906	0.4
97.02848	0.7
107.04919	0.3
125.02333	7.7
125.09626	0.7
160.47681	0.3
168.02924	0.4
168.13841	5.0
169.01358	3.0
169.08682	0.3
169.12323	0.4
169.14319	0.3
174.02736	0.3
183.19823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52295	0.4
55.52474	0.4
57.03325	8.7
59.93015	0.4
63.02270	5.5
65.00193	15.1
66.00542	0.5
68.88980	0.4
69.03312	0.5
69.80612	0.8
69.81027	2.4
78.83199	0.4
81.03333	6.2
81.27003	0.4
83.01260	40.0
84.01617	1.1
97.02843	0.6
97.27196	0.4
98.06007	0.5
98.20505	0.9
104.52644	0.5
107.01271	22.1
108.01627	1.1
108.99232	0.5
110.02377	0.7
123.00752	0.6
125.02341	30.6
126.02692	1.7
126.40949	0.5
127.00282	0.6
142.04016	1.2
151.00276	100.0
152.00630	7.9
158.93076	0.5
168.23289	0.4
169.01337	58.8
169.05109	1.3
169.08627	0.6
170.01651	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	165.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66097	0.8
51.40151	0.7
57.03328	7.3
59.01258	10.3
65.00196	2.2
65.03818	1.2
67.01761	0.8
67.94480	0.8
69.03340	2.0
71.01263	16.9
71.04894	1.9
71.57706	1.0
71.58066	1.0
72.99174	4.1
73.02829	3.9
74.98958	0.9
75.00764	1.7
77.03857	5.7
80.04920	1.1
81.03341	3.3
83.01270	1.8
83.04919	2.7
85.02372	1.2
85.02792	3.9
87.00757	2.4
87.04403	1.5
89.02319	7.3
92.99658	1.7
93.03344	6.9
93.99257	1.5
94.02918	1.0
94.03695	1.1
95.01282	1.5
95.04929	1.1
97.06481	2.7
101.02313	5.0
107.04940	1.3
108.02076	1.7
109.02843	3.9
109.06474	1.0
110.15257	0.7
111.08073	6.4
119.04912	3.9
121.02854	100.0
121.06517	1.7
122.02368	1.6
122.03199	5.3
122.06042	1.4
123.00774	2.3
123.04433	1.9
123.08080	1.1
124.03996	1.4
135.04433	1.1
136.01593	1.2
136.05273	2.0
137.02353	11.8
137.05945	1.8
138.05522	1.2
147.04446	6.5
147.06581	1.2
148.04839	1.2
149.00890	9.5
150.03157	9.4
151.00298	4.0
151.02568	0.9
163.11185	1.3
164.83601	1.6
164.89470	3.6
165.01857	14.8
165.04025	2.9
165.05489	6.6
165.07625	3.0
165.09155	3.8
165.12776	19.9
166.01292	1.3
166.02643	1.0
166.05003	6.7
166.13075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57151	1.0
55.01755	5.4
57.03322	4.1
58.00461	1.8
59.01255	49.8
61.52119	1.1
69.03333	3.7
70.05614	1.9
70.06020	4.6
71.01256	63.8
72.01569	1.2
72.99191	11.2
73.02825	11.9
75.00749	100.0
76.01081	2.2
81.03339	3.3
83.01277	3.1
83.04465	1.0
83.04890	5.7
85.02821	17.7
87.00755	62.1
87.04392	4.2
89.02324	32.4
94.02869	1.2
97.02879	1.3
99.00746	8.0
101.02323	20.2
101.75276	1.0
103.03883	3.8
105.01826	41.9
106.02133	1.3
111.04412	2.4
115.03905	2.3
117.01837	2.4
119.03379	2.3
121.02885	5.1
122.02306	1.4
129.01843	9.3
130.25145	1.0
135.27942	1.2
137.02277	1.2
137.05246	1.4
147.02910	6.0
147.06573	2.9
150.03123	2.1
165.03969	44.8
165.05421	2.2
165.07608	17.4
166.04320	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0397
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01763	2.6
57.03331	1.4
58.13962	0.4
59.01254	11.5
60.01604	0.4
70.97530	0.9
71.01255	8.8
72.99187	10.3
73.02825	2.0
75.00750	100.0
76.01083	1.8
83.01279	0.6
85.02815	1.5
87.00755	56.4
88.01089	1.7
89.02322	3.4
93.03341	0.6
96.37646	0.5
99.00150	0.7
99.00764	6.0
101.02324	2.9
105.01824	38.4
106.02160	1.0
111.00789	0.6
117.01858	2.0
121.02866	0.9
129.01839	8.4
130.02168	0.4
135.02879	0.7
137.02350	0.5
147.02908	4.6
147.03996	0.7
159.70253	0.4
165.03972	33.7
166.01381	1.3
166.04236	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.9
56.86206	0.8
57.03317	3.7
58.00459	3.5
59.01254	61.4
60.01583	1.2
67.01757	1.5
68.99683	0.8
69.03329	6.2
69.52808	5.1
71.01260	100.0
72.01585	2.2
72.99189	8.9
73.02825	19.2
75.00748	8.3
76.64259	0.8
81.03337	6.5
83.01266	6.1
83.04900	10.2
85.02829	24.3
87.00761	9.6
87.04391	7.1
89.02322	43.7
90.02689	0.9
91.03887	1.9
93.03334	3.7
94.02838	0.8
97.02810	3.0
99.00774	0.9
99.04401	1.6
101.02336	31.9
102.02652	1.5
103.03883	4.7
105.01812	3.8
107.04929	1.0
108.02073	1.1
108.04449	2.1
109.02829	3.5
111.04412	6.1
113.14732	0.8
115.03918	4.0
119.03384	1.3
119.04902	3.2
121.02843	16.1
122.02328	1.2
122.03667	1.9
122.06003	1.2
123.00755	1.2
123.03126	0.9
123.04410	0.8
127.03914	1.2
129.01860	0.9
135.04350	1.0
137.02371	5.8
138.05486	1.5
147.04404	2.9
147.06534	7.3
149.00861	3.2
149.02269	1.2
150.03139	7.7
151.00278	2.1
165.01906	4.8
165.03949	4.1
165.05415	2.7
165.07637	21.5
165.08989	1.5
166.02524	1.2
166.05009	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	163.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66521	0.8
71.37572	1.0
91.01759	3.1
92.04927	1.6
93.03359	2.4
107.04899	2.0
119.01280	1.8
119.04928	24.1
120.04453	2.1
120.05254	1.5
135.00836	1.4
135.04417	1.1
147.08051	2.3
153.37282	1.2
163.00313	7.1
163.03922	2.9
163.11201	100.0
164.11536	11.4
165.04720	1.1
184.96335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84527	0.2
57.03314	0.2
59.01249	0.3
63.84558	0.2
65.01317	0.5
65.99725	0.4
66.00880	0.2
69.24880	2.1
71.01251	0.8
73.02822	4.8
73.57545	0.2
81.03336	0.3
82.03975	0.7
83.01229	0.3
85.79803	0.2
91.01797	0.7
91.05361	0.2
92.83395	0.2
93.03334	1.6
93.94727	0.2
95.01305	0.3
99.04420	0.9
101.02330	0.3
106.04025	0.3
108.02063	0.2
113.51760	0.2
117.03353	0.2
119.04926	100.0
120.04459	0.6
120.05251	7.2
121.02847	0.3
121.03992	0.4
121.05096	0.8
122.03517	0.3
134.03523	0.3
135.00851	0.2
135.04440	0.3
136.03970	0.2
136.05032	0.4
137.03459	0.3
145.04961	1.4
149.02443	0.2
163.00310	1.4
163.02542	0.3
163.03932	5.8
163.06029	2.7
164.04407	0.6
164.07063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
66.27551	0.1
67.35704	0.1
69.96191	0.3
69.96604	0.7
75.62511	0.1
86.40250	0.2
91.05399	0.4
93.03335	1.1
113.07081	0.1
117.03352	0.2
119.04921	100.0
120.05253	5.9
153.54033	0.2
163.00253	0.2
163.03922	4.4
164.04268	0.4
181.36636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0394
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
65.90224	0.2
71.52445	0.5
72.61708	0.2
73.93439	0.2
75.41228	0.2
78.96889	0.2
91.01770	0.9
93.03353	1.3
101.02283	0.3
110.02331	0.2
117.03387	0.3
119.04922	100.0
120.04494	0.2
120.05254	6.4
121.02914	0.2
135.00856	0.2
135.04443	0.4
136.03961	0.2
156.00322	0.2
163.00266	1.3
163.03925	6.0
163.06068	0.5
164.04375	0.3
164.07121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.8
55.16898	2.5
57.03329	32.7
58.00476	2.5
58.02858	2.7
59.01254	61.6
69.03330	9.8
69.62836	9.2
71.01255	40.1
71.04898	9.5
72.99193	3.8
73.02820	30.5
75.00784	2.9
80.31229	1.7
81.03356	4.4
83.01267	10.6
85.02827	29.8
87.00754	32.7
88.03912	12.2
89.04238	9.5
95.01266	3.2
97.02828	10.7
97.62328	1.8
98.20530	3.0
99.00764	16.6
99.04401	51.1
99.06428	1.9
100.04729	2.7
101.02326	100.0
102.02675	3.5
109.44578	1.9
113.02348	3.3
115.03918	3.9
117.05479	6.1
120.20570	2.1
125.02352	7.2
126.47320	1.7
131.03378	2.3
143.03406	12.8
161.04468	31.5
163.78552	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	160.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.2
56.04924	0.6
57.03325	10.1
58.01254	0.4
58.02854	12.0
59.01254	13.6
60.99179	0.4
61.27942	0.3
62.13650	0.3
69.03327	2.8
70.02878	0.6
71.01254	8.2
71.04903	1.9
71.56002	0.5
71.56368	0.4
72.04444	0.5
72.99172	0.7
73.02824	6.9
74.02355	2.1
75.00750	0.7
81.03345	1.1
83.01274	3.0
84.04424	19.7
85.02831	8.6
85.04743	0.6
85.47715	0.3
86.02350	0.7
86.05988	1.0
87.00758	5.8
87.04380	0.6
88.03918	100.0
88.73119	0.3
89.02307	0.5
89.03688	0.6
89.04190	2.0
97.02830	2.2
97.12465	0.4
98.02345	0.7
98.06001	8.0
99.00746	2.7
99.04402	8.0
101.02325	18.2
112.03924	2.1
113.02353	0.5
114.05508	1.0
115.03912	0.6
117.00082	0.7
117.05464	1.2
118.04996	7.0
125.02345	1.9
128.85753	0.4
130.04028	0.9
130.05005	15.2
131.03406	0.5
131.05350	0.9
142.04990	0.6
143.03418	2.0
160.04111	0.6
160.06068	13.3
161.04469	8.5
161.06421	0.7
176.70302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0815
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
55.01762	0.8
57.03334	1.7
58.02853	4.1
59.01250	1.6
68.99701	0.8
69.03333	2.5
70.02869	0.5
70.85997	1.0
71.01250	3.6
71.92079	0.3
72.99171	0.5
73.02839	1.8
75.00758	0.8
83.01268	1.6
85.02821	2.6
86.02348	0.5
86.05993	1.8
87.00758	1.3
87.04375	0.8
94.02856	0.5
95.01260	0.4
95.04926	0.4
96.04434	22.0
97.02824	2.3
97.04767	1.2
97.05373	0.4
97.06468	0.8
99.00764	3.3
101.02338	1.1
111.00754	0.7
112.03940	0.9
113.02303	0.8
113.09589	0.3
114.05506	0.7
114.09145	6.9
115.03886	0.5
115.07547	0.6
115.09480	0.5
116.07066	100.0
117.06652	0.5
117.07406	4.4
129.01848	0.7
140.07071	0.4
141.01830	0.5
145.72765	0.3
158.04584	1.6
158.06093	0.5
158.08139	11.3
158.89217	3.4
159.02905	1.8
159.06519	1.8
159.08458	1.0
159.10216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.045
Annotation	4-Methylene-L-glutamate
Peak:m/z	Relative Intensity
55.01759	1.4
57.03323	4.8
57.49989	0.7
58.02852	1.3
59.01255	6.0
59.49386	0.5
66.03352	1.7
68.01310	0.9
68.04922	1.8
68.99697	5.8
69.03325	9.7
70.02846	2.1
70.91573	1.3
70.91925	1.1
71.00895	1.2
71.01259	18.5
72.00787	2.1
72.01624	1.0
72.99187	3.4
73.02821	10.1
74.02342	1.5
75.00753	2.3
81.02071	1.2
82.02837	0.9
83.00807	0.7
83.01244	3.5
84.04422	1.6
85.02831	14.0
86.02363	4.1
86.05990	4.6
87.00746	8.4
87.04410	1.6
87.05544	0.7
88.03915	2.4
94.02871	1.9
95.01272	2.8
96.04430	100.0
96.99189	2.7
97.02834	10.3
97.04750	4.7
97.06450	1.2
99.00755	26.6
101.02325	3.9
111.00768	6.4
112.01112	1.3
112.03914	1.4
112.97847	0.6
112.98655	1.4
113.02343	3.8
113.09676	0.7
114.01860	1.9
114.05521	3.3
115.00250	2.4
115.08660	1.4
123.00774	1.5
127.00267	1.3
129.01840	2.4
135.00764	0.8
140.00664	1.6
140.03384	0.8
140.98187	4.5
141.01830	2.9
158.04521	7.0
158.92357	0.8
159.02945	5.9
159.07715	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	158.045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	2.6
57.03328	6.4
58.02831	1.4
59.01253	8.5
63.04949	0.7
66.03354	2.1
67.01744	1.6
68.01290	1.3
68.04939	1.1
68.99686	9.4
69.03329	14.1
70.02857	2.1
70.75809	1.9
70.76142	1.1
71.01251	34.6
72.00769	1.6
72.99183	6.8
73.02818	20.0
74.02345	1.3
75.00739	6.5
75.52974	0.7
79.01780	1.2
81.02042	1.0
83.01254	5.4
84.04409	2.5
85.02824	19.2
86.02353	3.5
86.03159	0.8
86.05981	5.6
87.00742	14.1
87.04387	1.9
88.03929	1.9
94.02859	2.7
95.01266	3.8
95.04900	1.0
96.04429	100.0
96.99207	2.2
97.02831	12.1
97.04746	5.1
97.06466	1.0
99.00760	40.2
100.03931	2.2
101.02317	9.4
111.00756	15.2
112.01096	0.7
112.03945	2.0
112.07582	1.3
113.02341	6.6
114.01826	1.3
114.05470	3.1
115.00246	2.3
115.08669	1.5
118.76839	0.8
123.00751	2.9
127.00227	0.9
128.00569	1.1
129.01846	4.7
140.00607	1.7
140.03490	0.9
140.98206	1.9
141.01837	4.3
158.03398	1.0
158.04546	5.7
158.08109	10.5
159.02919	11.0
159.07596	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.9
57.03323	1.2
58.02840	2.4
59.01254	1.1
60.33994	0.7
60.69996	0.7
63.76596	0.7
65.01317	3.0
67.01772	2.0
68.01284	1.0
70.02850	1.0
71.01265	1.5
71.58229	1.8
74.00265	0.9
74.02344	1.7
76.95793	0.8
81.03339	1.2
83.01256	3.5
83.02396	1.3
83.04897	2.2
84.00789	0.8
84.04423	4.3
84.68970	0.7
85.02831	0.9
85.37230	0.7
86.02345	1.3
89.01360	1.2
93.03339	1.9
94.98417	0.7
95.01254	1.9
96.00792	3.5
98.02345	0.8
98.03503	0.9
101.01339	1.1
109.02837	1.2
111.00775	1.9
111.03309	0.9
111.04420	2.1
111.05559	0.9
111.08048	1.6
112.01583	1.2
112.03870	1.3
113.03461	1.7
114.05505	3.0
115.02912	1.1
119.78533	0.8
123.00765	0.8
127.00266	1.8
127.03848	1.0
128.02399	1.3
129.04474	2.7
137.09616	2.1
140.01070	4.1
154.02773	1.5
154.99748	2.6
155.02475	2.3
155.03561	14.9
155.04698	1.7
155.10689	100.0
156.02962	1.9
156.05566	8.5
156.06618	2.6
156.11021	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	154.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	100.0
55.92594	1.1
56.02094	3.1
57.03312	1.9
57.87282	1.0
58.02841	1.5
59.01241	2.5
63.96715	1.0
64.38805	1.1
65.00198	2.4
67.01765	4.9
68.99685	1.7
69.03326	1.6
70.02852	1.9
71.01255	19.7
71.56612	1.3
73.02812	1.3
81.03355	1.7
83.01262	57.3
83.04906	2.2
84.00790	2.2
84.01607	1.1
84.04421	2.6
87.00772	2.0
89.69604	1.2
93.03355	7.5
95.01263	9.5
96.00775	1.6
97.99987	1.7
99.00768	3.9
99.04338	1.4
107.04935	1.2
109.02850	2.4
110.61807	1.2
111.00768	10.9
111.01911	1.5
111.03284	1.8
111.04394	5.3
111.08018	1.5
112.01580	6.3
112.03949	1.2
113.02334	1.3
114.05495	12.0
123.00767	9.4
124.82985	1.3
127.00274	23.5
127.07548	1.4
137.02312	3.5
139.97426	3.1
140.01044	19.8
154.99774	64.6
155.03508	5.4
155.04509	1.2
155.06998	2.3
156.00084	4.0
156.06622	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	147.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	14.5
59.01244	18.5
64.46397	3.7
70.47992	7.8
70.48372	14.4
71.01249	15.6
71.04893	36.0
72.99184	100.0
75.00748	48.6
75.59516	4.2
85.02812	44.1
85.85908	3.9
86.03204	5.1
87.00751	10.6
99.00744	4.6
101.02335	14.2
101.05954	8.9
103.03884	6.0
113.35875	3.8
129.01793	7.0
147.02948	5.5
147.06541	80.7
148.06882	6.6
152.87535	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	150.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.5
58.66688	0.6
59.01253	0.7
65.01322	3.4
65.99731	3.0
66.00846	1.9
66.03369	0.6
67.01740	0.8
67.02882	2.7
70.86522	0.6
70.86884	0.9
70.87176	0.5
71.01261	2.9
78.00806	0.6
79.02882	0.7
81.03319	0.7
81.04417	0.7
82.02863	1.3
82.03961	0.9
83.02402	1.3
89.02320	0.9
91.17740	0.6
92.02414	0.8
92.44664	0.5
93.03332	2.6
94.02834	0.8
95.01273	2.9
95.02388	1.0
95.04893	0.7
101.02328	1.4
107.01269	1.1
107.03526	2.1
107.04893	2.8
108.02040	12.0
108.04460	1.4
108.05582	1.6
109.02867	1.3
109.03967	3.4
120.01962	1.4
120.05557	0.8
121.02858	5.1
122.03667	7.9
122.05983	0.5
123.00813	5.8
123.01846	3.7
123.04420	15.5
126.02982	8.7
133.01462	12.9
133.02565	0.7
133.02895	0.6
133.03976	0.6
136.01572	35.1
137.02347	2.5
139.03929	2.4
145.71042	0.6
149.02351	9.2
150.03130	100.0
151.00259	0.8
151.03934	17.6
151.07584	1.5
154.02609	2.1
169.12607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92951	6.6
52.99131	7.3
57.03325	19.6
59.01254	100.0
65.40638	8.1
70.27128	33.0
71.01254	60.6
72.99187	25.4
75.00746	44.7
83.01255	11.4
85.02818	24.2
87.00753	20.0
89.02338	9.9
95.56631	7.4
99.00725	13.6
102.05505	8.6
103.05810	24.1
126.01844	7.3
129.03773	14.7
147.04497	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	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03085	4.2
57.03331	41.3
59.01251	60.5
71.01250	20.9
71.04890	59.0
71.27022	5.6
72.99183	79.2
73.02808	7.2
74.36399	3.0
75.00751	41.4
83.04903	6.3
85.02824	100.0
85.05472	3.0
86.03134	3.0
87.00755	96.8
88.01089	4.0
89.02325	3.6
96.84144	2.9
100.58713	3.0
101.02335	23.5
101.05949	10.2
103.03882	18.9
113.59706	2.9
129.01836	32.4
136.63718	3.1
139.91803	3.2
147.02859	18.1
147.06528	50.2
152.94705	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	147.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59417	4.8
54.36853	4.9
57.03339	25.1
59.01259	56.4
59.71469	4.7
70.05760	22.9
71.01255	39.9
71.04893	96.7
72.05219	8.0
72.99184	100.0
73.02805	9.8
75.00750	57.5
83.04897	5.2
85.02827	55.3
87.00763	29.4
101.02327	14.8
103.03899	14.0
103.05803	11.6
129.01811	22.1
134.56477	4.8
147.02902	5.4
147.04558	5.4
147.06554	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.9
58.02847	1.4
59.01254	12.6
70.70036	2.0
71.01262	8.0
72.53330	0.9
72.99192	3.5
74.02357	1.6
75.00747	7.1
75.43899	0.9
82.02812	1.5
84.04388	1.4
85.02821	4.2
86.50504	1.0
87.00755	3.5
99.00748	1.4
100.03918	4.1
101.02284	1.7
102.05491	100.0
103.05112	1.8
103.05843	4.2
104.03406	1.9
111.00762	1.2
128.03439	36.2
129.01801	1.5
129.03821	1.8
138.86813	1.1
146.02412	2.8
146.04506	11.1
146.07001	1.4
147.04503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.9
58.02847	1.4
59.01254	12.6
70.70036	2.0
71.01262	8.0
72.53330	0.9
72.99192	3.5
74.02357	1.6
75.00747	7.1
75.43899	0.9
82.02812	1.5
84.04388	1.4
85.02821	4.2
86.50504	1.0
87.00755	3.5
99.00748	1.4
100.03918	4.1
101.02284	1.7
102.05491	100.0
103.05112	1.8
103.05843	4.2
104.03406	1.9
111.00762	1.2
128.03439	36.2
129.01801	1.5
129.03821	1.8
138.86813	1.1
146.02412	2.8
146.04506	11.1
146.07001	1.4
147.04503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07067	6.1
57.03332	9.6
58.02853	100.0
59.01257	8.2
70.64584	12.1
70.64961	13.5
71.01247	21.8
74.02323	10.3
87.00755	12.8
100.03945	13.4
100.96949	5.9
101.02320	13.2
102.05497	23.4
103.05010	70.3
104.03427	8.3
115.00243	11.5
128.03400	8.7
134.43471	6.4
145.05936	8.0
145.07071	31.3
146.07086	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	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77996	0.4
64.01773	0.5
65.01337	1.0
65.99717	0.5
69.03318	0.7
71.01231	0.6
72.99183	0.6
73.06336	0.4
77.01352	0.7
83.04908	0.9
83.61019	0.5
97.06481	3.6
98.19748	0.9
99.08034	100.0
100.08362	6.0
118.04004	1.9
119.02427	1.1
127.07504	1.6
128.77660	0.4
143.07005	0.9
145.02823	0.5
145.03966	0.6
145.05060	1.0
145.08609	25.9
146.02376	1.7
146.03474	0.5
146.08940	2.0
146.54367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	7.9
58.02851	100.0
59.01258	27.9
60.28778	1.9
69.47143	15.9
69.47482	2.9
71.01257	51.1
72.00794	3.5
72.99184	10.3
73.02840	5.6
74.02345	6.4
82.00465	1.7
82.02850	1.8
83.01260	17.5
83.04900	2.7
84.04445	3.2
84.34134	1.6
87.00753	40.3
99.00745	3.3
99.06326	2.6
100.03916	18.8
101.02341	4.7
102.05492	32.8
103.05016	72.1
104.03429	13.4
112.98669	1.8
115.00259	29.3
127.00253	19.8
128.00604	2.3
128.03418	9.5
145.01364	7.2
145.03957	1.7
145.06064	10.3
145.07069	14.5
146.04503	10.5
162.13849	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	145.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	7.9
58.02851	100.0
59.01258	27.9
60.28778	1.9
69.47143	15.9
69.47482	2.9
71.01257	51.1
72.00794	3.5
72.99184	10.3
73.02840	5.6
74.02345	6.4
82.00465	1.7
82.02850	1.8
83.01260	17.5
83.04900	2.7
84.04445	3.2
84.34134	1.6
87.00753	40.3
99.00745	3.3
99.06326	2.6
100.03916	18.8
101.02341	4.7
102.05492	32.8
103.05016	72.1
104.03429	13.4
112.98669	1.8
115.00259	29.3
127.00253	19.8
128.00604	2.3
128.03418	9.5
145.01364	7.2
145.03957	1.7
145.06064	10.3
145.07069	14.5
146.04503	10.5
162.13849	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	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03999	1.8
53.00199	30.4
54.00540	2.5
55.01757	6.0
55.66657	2.0
59.01253	13.0
65.35973	1.9
68.99688	10.7
69.03331	10.5
71.01257	71.9
71.04917	2.1
71.14573	5.3
72.00784	6.2
72.01577	3.2
72.99209	6.1
73.02828	2.8
73.94968	2.0
74.02341	2.1
80.04941	3.5
80.99699	6.8
81.03354	2.7
82.02827	2.5
83.01260	7.1
85.02830	7.0
87.00763	19.0
88.03925	2.9
95.66460	1.9
96.99194	41.0
97.02840	2.0
98.05987	15.7
99.00750	4.2
100.07530	2.7
102.05538	2.6
112.98701	45.4
112.99428	3.9
113.99071	2.0
115.00249	13.4
124.98710	87.0
125.02359	2.2
125.99055	5.2
126.05496	7.0
126.21870	2.3
140.98227	8.0
142.99773	77.4
143.03441	3.2
144.00099	4.2
144.04453	7.2
144.06577	100.0
156.05298	2.4
158.99278	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	144.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.8
56.04921	0.7
56.42016	0.5
57.78183	0.4
58.02851	9.2
59.01249	4.3
69.03328	10.2
69.64476	2.8
71.01254	7.7
72.00780	11.0
72.04401	0.6
72.99183	1.6
73.02809	0.9
80.04935	2.3
81.32359	0.4
82.02847	1.9
83.01261	2.1
84.04412	0.9
87.00754	6.8
88.03922	1.7
98.02317	0.5
98.05990	14.5
98.20596	0.9
99.00764	1.4
99.06300	1.0
100.03940	0.6
100.07557	3.5
101.02341	0.5
101.05963	0.7
102.05480	6.0
103.05014	7.1
113.99063	0.5
115.00265	4.5
125.02374	0.9
125.99089	0.8
126.05506	3.1
127.00270	2.1
127.05012	0.8
127.05942	0.5
142.05009	1.0
144.00159	0.8
144.06569	100.0
145.01332	1.5
145.05043	0.5
145.05840	0.4
145.06969	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	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00016	0.9
53.00198	10.8
53.74396	1.0
55.01760	2.9
59.01258	5.0
68.99679	2.7
69.03320	8.2
70.02898	0.9
71.01253	28.2
71.56138	1.2
72.00779	8.3
72.99188	2.5
79.42136	1.2
80.04914	2.1
80.99687	2.6
81.03324	2.8
82.02885	2.4
83.01252	2.1
85.02818	2.1
87.00742	6.3
96.99194	16.3
97.00246	0.9
98.05387	1.4
98.05996	14.0
99.00755	1.8
100.03885	1.2
100.07575	3.1
102.05456	1.5
111.00761	1.9
112.98704	16.5
113.02283	1.3
115.00274	4.2
115.51546	0.9
124.98703	40.4
125.02332	1.6
125.99075	2.1
126.05493	3.8
140.98195	4.0
142.99771	32.9
143.03493	1.1
143.07005	1.6
144.00142	1.6
144.02916	2.0
144.06570	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	137.0235
Annotation	p-Salicylic acid
Peak:m/z	Relative Intensity
53.81785	0.2
65.03832	1.3
69.85606	1.2
93.03336	100.0
94.03666	5.7
98.19803	0.4
108.02044	0.9
110.96581	0.2
118.55178	0.2
137.02351	10.4
138.01776	1.1
138.02780	0.5
158.03941	0.2
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
52.70742	1.9
53.00194	11.1
54.53381	1.8
55.01761	4.1
55.26565	2.2
57.47466	2.3
57.86726	2.0
58.54181	2.1
59.01242	9.7
68.99674	4.3
69.03314	9.1
71.01263	28.2
71.04896	2.8
71.56573	2.3
72.00786	19.9
73.02795	2.5
80.99711	3.6
81.03323	3.6
85.02814	3.4
87.00738	5.1
96.99208	17.1
98.05997	15.6
99.00784	3.7
100.03904	2.3
100.07543	4.7
102.05510	2.6
111.00809	2.8
112.98707	14.7
115.00272	4.7
124.98711	42.9
126.05463	2.6
140.98210	4.1
142.99765	27.4
144.06578	100.0
160.50447	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	135.029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	0.6
59.01252	7.7
65.01308	0.3
65.99725	0.3
70.29273	0.9
71.01256	4.1
72.99184	17.0
73.99535	0.4
74.00578	0.4
75.00748	100.0
76.01094	2.3
80.96412	0.3
85.02840	0.2
87.00771	1.3
89.02322	5.1
92.04948	1.3
93.03337	0.8
94.02849	0.2
99.00770	0.5
99.37444	0.2
106.04060	0.5
107.04922	0.9
108.02032	0.8
117.01814	0.8
134.03639	0.8
135.02896	14.9
135.04422	4.7
136.01552	0.8
136.03232	0.6
136.04834	0.4
147.80656	0.2
150.25284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	0.6
59.01252	7.7
65.01308	0.3
65.99725	0.3
70.29273	0.9
71.01256	4.1
72.99184	17.0
73.99535	0.4
74.00578	0.4
75.00748	100.0
76.01094	2.3
80.96412	0.3
85.02840	0.2
87.00771	1.3
89.02322	5.1
92.04948	1.3
93.03337	0.8
94.02849	0.2
99.00770	0.5
99.37444	0.2
106.04060	0.5
107.04922	0.9
108.02032	0.8
117.01814	0.8
134.03639	0.8
135.02896	14.9
135.04422	4.7
136.01552	0.8
136.03232	0.6
136.04834	0.4
147.80656	0.2
150.25284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.0
65.01313	8.2
69.89302	27.0
69.89714	15.1
71.01273	50.1
72.99189	100.0
75.00762	52.3
87.00764	8.6
87.04387	10.4
92.02434	9.3
92.86853	5.7
101.01782	5.8
106.03994	9.0
107.03517	24.3
108.57769	5.9
115.00257	18.3
119.80838	7.0
133.04082	9.3
133.04951	46.2
134.02444	11.9
134.03523	20.3
134.04628	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0463
Annotation	Adenine
Peak:m/z	Relative Intensity
59.01249	0.6
65.01306	1.7
68.02415	1.4
69.56814	1.5
69.57236	2.3
72.01601	0.8
72.99178	0.5
75.00739	4.2
80.02415	0.7
91.01935	0.5
92.02425	13.9
93.03333	0.5
94.61897	0.5
107.03518	55.0
108.03848	1.6
134.04622	100.0
135.02847	0.7
135.04372	4.3
135.05086	1.9
145.42804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.8
59.01249	1.8
63.28241	1.0
69.46768	1.0
71.01260	98.2
71.27064	1.5
72.01606	3.3
72.99187	26.5
72.99586	2.0
75.00771	1.9
87.00750	5.4
89.02325	8.8
107.03520	2.4
107.79689	1.2
115.00272	100.0
116.00603	4.3
122.57707	1.0
133.01338	18.8
133.04980	5.1
134.04636	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45832	0.8
59.01256	2.7
70.90204	1.7
70.90540	1.9
71.01259	100.0
72.01597	3.5
72.99187	27.8
75.00754	1.7
77.26457	0.8
83.46685	0.8
87.00768	3.7
89.02328	10.9
96.51677	0.7
113.26050	0.8
115.00269	99.4
116.00620	4.9
133.01363	16.1
133.02370	1.6
133.04932	3.9
134.04645	2.5
146.75923	0.8
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	L-Alloisoleucine
Peak:m/z	Relative Intensity
51.67967	1.2
59.02798	1.1
64.52871	1.2
67.92903	1.1
69.56917	4.7
69.57343	4.5
73.02823	1.3
85.02830	2.5
87.04388	3.2
88.03922	1.9
96.82050	1.1
105.41064	1.1
126.19498	1.3
130.08638	100.0
131.03537	1.2
131.08963	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	131.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00222	1.0
53.06236	0.4
57.03317	1.0
57.20026	0.4
59.01230	0.4
61.32301	0.4
63.85960	0.4
64.01796	0.7
65.01321	7.1
65.99714	1.1
66.01653	1.0
66.18063	0.5
67.02892	4.2
69.03329	0.9
71.01245	1.3
71.57449	0.6
72.99192	0.5
73.02831	1.5
74.85644	0.4
77.01333	1.2
81.04464	1.2
83.04897	2.0
85.02827	4.1
85.06466	100.0
86.06805	5.9
87.04393	3.5
88.03947	0.7
89.01328	4.7
90.00838	0.8
90.01686	0.6
91.02907	4.1
91.26090	0.4
96.81676	0.5
104.02471	0.9
105.04483	1.4
111.91552	0.4
113.05980	1.0
122.85084	0.5
127.36830	0.4
129.05481	1.5
130.02742	1.3
131.02782	0.2
131.03523	14.9
131.04366	1.5
131.07043	31.3
132.01939	0.6
132.03867	0.5
132.05556	3.5
132.07385	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	43.0
59.01258	12.1
66.93364	12.1
67.01765	100.0
68.99686	44.4
70.43562	22.5
70.43949	33.0
71.01251	32.1
72.99192	39.8
73.02840	17.5
83.01267	14.5
85.02843	40.4
87.00754	17.0
87.19725	11.7
88.03951	52.7
99.00774	22.7
111.00754	16.7
118.48543	10.1
129.01825	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33597	0.9
67.01768	3.1
68.99676	0.9
69.95123	5.1
85.02835	1.0
98.20518	1.0
111.00842	1.1
124.53952	1.3
128.07079	100.0
129.07426	5.9
146.92918	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	0.6
67.98260	0.4
68.99726	0.4
70.48682	0.8
70.49088	0.9
75.25169	0.5
94.27603	0.5
128.07068	100.0
129.07428	5.8
142.62859	0.5
145.15196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0707
Annotation	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
55.01771	0.4
56.99446	0.4
57.03321	1.5
67.01764	2.5
68.99689	0.4
71.01230	0.5
72.99187	0.5
85.02824	5.6
100.30462	0.4
124.44360	0.4
128.03452	2.4
128.07069	100.0
129.01837	1.4
129.05455	0.8
129.07422	6.5
132.71475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00208	0.4
52.01775	0.2
57.28775	0.2
62.35736	0.2
65.01315	1.7
65.03837	0.4
65.99712	1.4
66.00842	0.3
66.03361	1.0
66.69516	0.2
68.01289	0.4
79.01653	0.3
79.02888	2.9
80.01261	0.5
82.01604	2.1
91.01781	1.8
91.02894	0.8
91.49123	0.2
92.02457	0.9
93.03342	4.7
94.02865	7.1
95.01278	1.7
95.02366	1.9
103.02869	0.3
105.03147	0.2
106.01587	0.5
106.04105	0.3
108.02053	5.3
109.02397	0.3
120.01939	1.0
121.02843	100.0
122.02349	3.6
122.03320	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	1197.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	0.2
85.02833	1.3
87.00766	1.3
94.97974	9.2
95.01258	0.2
96.95912	0.7
97.02840	0.7
97.47679	0.1
98.20499	0.3
99.00751	0.3
101.02327	1.2
106.97990	1.7
113.02342	0.3
119.14867	0.1
122.97491	2.2
125.02354	1.9
127.03925	0.6
134.05850	0.1
134.97495	3.3
136.99054	0.9
138.96866	0.1
146.97525	0.1
148.97945	0.2
148.99071	3.6
152.98557	3.8
164.98570	6.7
167.00142	0.3
179.00023	0.1
179.55237	0.1
182.99622	0.5
206.99666	1.8
219.64270	0.1
225.00717	13.2
229.56523	0.1
243.01813	0.4
255.23306	2.0
268.68030	0.1
273.48761	0.1
299.04440	3.1
317.05490	0.2
439.67715	0.1
519.09503	0.1
555.28473	100.0
556.28839	6.9
601.13837	0.1
684.46680	0.1
1104.33362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00229	3.3
58.03424	0.5
59.01265	1.0
64.01810	1.1
65.01325	5.6
65.99725	6.1
68.01288	3.1
69.30373	0.5
71.01252	0.5
71.57499	0.6
72.99182	0.5
77.01329	1.8
91.02903	4.4
91.05399	2.1
92.01292	3.8
92.02442	1.4
92.03230	0.5
93.00858	2.5
93.01421	0.5
93.03341	6.4
99.74625	0.5
101.92297	0.8
104.02579	0.9
105.03236	0.9
117.03343	1.2
118.04011	0.9
118.92551	3.3
119.02434	11.3
119.04916	100.0
120.01941	5.0
120.05576	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	1192.5695
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04414	0.4
85.02827	0.5
86.02349	3.0
86.05986	0.3
86.98980	1.1
87.00732	0.2
87.05521	1.4
90.00055	0.9
92.04944	1.1
94.02864	0.3
96.95914	0.3
97.03945	1.0
99.05525	6.5
101.02311	0.4
101.07076	1.2
102.05489	1.5
107.06037	0.6
109.03948	2.2
109.07596	0.5
111.05527	0.9
112.03924	0.8
113.02342	0.3
116.01616	0.8
120.01163	0.3
123.05518	0.9
124.03927	0.5
125.03447	1.0
126.01871	0.3
127.05040	1.2
128.03432	22.4
129.99556	0.7
135.05557	2.7
136.03941	1.0
137.07114	0.4
141.06616	1.4
143.04530	28.9
145.06065	1.3
146.04480	2.6
149.07074	0.3
153.06584	2.7
160.00658	8.0
166.09767	1.2
167.04530	2.7
167.08147	1.4
170.03226	0.6
171.03970	0.5
171.07677	0.5
177.03305	3.5
179.04543	6.1
181.06134	0.6
181.08638	0.6
184.10828	0.4
185.05617	1.1
192.07742	0.7
197.05630	0.7
205.07193	0.2
209.11804	1.1
210.08794	7.0
213.03325	0.3
228.09821	0.5
242.07692	0.8
247.67586	0.2
254.05141	0.3
254.07805	9.1
272.08890	16.5
273.09122	0.3
277.21994	0.3
288.06595	6.2
306.07654	100.0
307.07928	3.8
335.86676	0.3
336.82166	0.3
761.47723	0.3
1069.57373	0.3
1174.57898	0.7
1192.57019	8.0
1193.58044	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	0.8
59.01247	0.9
62.81402	0.4
65.01313	2.0
65.99722	2.6
70.34229	2.0
74.40044	0.4
75.19376	0.5
77.01312	0.7
89.96240	0.5
91.02901	1.6
91.05411	1.9
92.01304	1.4
92.02434	0.6
93.00823	0.8
93.03342	6.6
117.03371	1.3
118.92531	1.1
119.02530	3.1
119.04919	100.0
120.01916	2.0
120.05254	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	1183.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	1.6
84.58413	0.1
85.02824	4.8
87.00751	1.3
89.02315	0.3
91.01762	0.3
92.16138	0.1
93.03326	0.3
95.01247	0.7
97.02847	0.4
99.00758	1.8
100.20432	0.1
101.02335	1.0
103.00248	0.1
107.01280	2.2
108.02055	1.3
109.02850	1.2
111.00742	0.2
113.02335	5.4
115.00243	0.6
117.01807	0.4
119.01290	0.2
119.03390	0.1
121.02850	1.4
123.00730	0.2
124.01579	0.2
125.02338	0.4
129.01785	0.2
131.03413	0.6
135.00751	0.7
139.03899	0.2
148.01550	1.3
149.02347	0.3
151.00281	8.4
152.00682	0.2
153.01849	0.2
157.06386	0.2
159.04469	0.4
161.02412	0.2
163.00279	2.3
163.04066	0.1
164.01068	0.6
167.04915	0.2
169.01357	0.8
171.04424	0.1
173.04518	1.3
173.05956	0.2
174.03133	0.2
175.02382	0.5
175.03796	0.2
178.14206	0.1
178.98184	0.2
178.99782	4.3
183.04420	0.5
185.06006	0.2
187.03906	0.7
188.04688	0.2
189.05389	0.1
190.02461	0.2
190.99831	0.4
191.05458	0.3
192.00552	0.5
197.02385	0.2
198.03227	0.3
199.03860	1.0
200.04713	0.1
201.01878	0.2
201.05498	0.5
203.03442	0.4
211.03912	1.2
213.01883	0.2
214.02353	0.1
215.03464	0.8
215.05446	0.2
216.04224	0.5
226.02675	1.5
227.03452	3.1
228.03862	0.3
229.01262	0.3
229.04977	0.6
239.03455	0.3
240.04086	0.2
242.02258	0.2
243.02954	9.6
244.03491	0.5
245.04486	1.4
254.02174	2.0
255.02969	26.1
256.03397	1.2
257.04538	0.3
266.02127	0.2
271.02472	53.7
272.02954	3.5
273.03949	0.9
283.02548	1.2
299.01968	1.7
300.02740	86.6
301.03470	31.1
302.03793	1.2
343.04398	0.2
364.07117	0.1
463.08893	2.0
464.09576	0.1
471.22296	0.2
505.09872	100.0
506.10223	6.3
547.23285	0.2
589.25018	42.6
590.25403	3.1
591.25323	0.2
973.30774	0.2
1193.91821	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	1179.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04892	0.3
85.02824	0.5
86.98656	0.3
93.03339	5.2
107.01271	1.2
108.02087	0.8
109.02831	0.3
111.00799	0.5
111.04422	1.6
117.03374	1.4
119.04919	3.6
121.02836	0.3
125.02364	0.4
137.02376	1.7
145.02856	2.9
148.01569	1.0
151.00270	4.5
155.03432	2.9
163.00241	0.4
163.03920	2.9
164.01079	0.4
169.01389	0.3
173.04480	22.5
174.04767	0.4
178.99796	2.9
179.03386	0.3
187.03976	0.4
190.00237	0.3
191.05554	5.2
199.03912	0.9
201.01939	0.4
211.03958	0.5
215.03456	0.8
215.05566	2.4
216.04102	0.4
226.02695	1.2
227.03487	2.4
233.06635	39.6
234.07039	0.8
241.74176	0.3
243.02974	8.8
244.03580	0.3
254.02292	1.7
255.02979	21.5
256.03369	1.1
261.38794	0.3
271.02481	50.6
272.03036	3.2
273.03870	0.4
299.02130	2.6
300.02750	91.2
301.03351	8.0
319.08258	4.3
337.09293	1.0
343.04620	0.7
379.10355	15.4
380.10745	0.6
423.08774	0.4
755.20404	100.0
756.20776	8.6
1177.99011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03341	0.2
83.01255	0.9
83.04900	0.1
84.02039	0.1
85.02824	8.3
87.00755	1.7
89.02319	3.4
91.03876	0.2
93.03333	0.3
95.01261	1.7
96.94007	0.1
97.02826	0.2
99.00759	4.1
99.04369	0.1
101.02327	0.8
103.00246	0.7
107.01276	0.1
108.02033	0.1
109.02856	0.1
111.00762	0.3
111.04392	0.1
112.01530	0.1
113.02334	9.2
114.02674	0.1
115.00264	0.7
115.03886	0.1
117.01819	0.8
121.02893	0.1
121.10126	1.4
129.01814	0.6
130.99759	0.2
131.03395	1.1
133.05034	0.1
139.00244	0.1
139.04105	0.1
139.11192	0.3
147.78879	0.1
148.01675	0.1
149.04472	0.3
149.11369	0.1
151.00272	0.3
157.01312	0.4
163.00360	0.1
164.01082	0.1
165.09134	0.7
167.10709	1.3
167.71001	0.1
169.01381	0.1
175.02400	1.0
178.99777	0.2
183.10185	0.5
189.03975	0.3
193.03653	0.1
199.03918	0.1
205.07130	0.5
207.04988	0.1
223.08110	0.2
226.02744	0.1
227.03474	0.3
231.05029	0.9
243.02960	0.9
244.03784	0.1
249.06136	8.4
250.06462	0.2
254.02252	0.1
255.02982	2.3
256.03339	0.1
267.07224	2.8
271.02487	5.6
272.02972	0.3
299.01947	0.2
300.02750	9.5
301.03336	0.8
315.14490	2.2
316.02151	0.1
346.58029	0.1
362.11795	0.1
387.49847	0.1
415.15823	0.2
417.17780	0.4
433.17209	0.1
505.19473	0.5
547.19592	0.4
565.21350	100.0
566.21698	4.7
606.81610	0.1
609.14606	5.7
610.14545	0.4
626.14349	0.1
793.10553	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	1175.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01268	1.3
84.75188	0.4
85.02812	5.5
86.03166	0.5
87.00739	2.1
95.01266	1.3
99.00772	2.3
101.02341	1.3
107.01266	1.7
108.02059	1.1
109.99995	6.1
111.00778	2.4
113.01622	0.6
113.02343	6.4
114.02663	0.8
121.02851	0.5
123.00776	1.5
124.01533	0.6
125.02328	0.5
136.98676	1.2
137.99512	3.1
139.00264	7.8
141.99016	0.7
148.01558	0.6
151.00255	6.1
152.01007	0.9
161.02351	0.6
161.04439	0.8
163.00293	1.5
164.01027	1.4
164.98210	0.6
165.97603	0.7
165.98993	10.3
166.99783	3.4
169.01193	0.5
171.04422	1.1
173.02278	0.5
174.03070	0.5
175.03877	0.6
178.99794	6.9
187.03877	0.7
193.78807	0.4
193.98485	0.8
194.99271	0.9
198.03285	0.8
199.03944	2.0
201.01854	1.4
202.02693	0.6
203.03401	0.9
206.99319	0.5
210.73395	0.5
214.02615	1.2
215.03432	1.8
216.04195	0.8
219.02859	0.6
226.02692	1.4
227.03484	4.7
229.01372	0.5
231.02841	0.8
241.01474	0.5
242.02119	2.7
243.02982	10.4
244.03528	1.9
249.05984	0.5
254.02168	1.4
255.02969	16.6
256.03284	1.3
259.02441	2.4
260.02960	0.6
269.00870	1.2
270.01675	4.0
271.02484	59.7
272.02927	5.7
273.03210	0.7
287.01965	14.4
288.02539	2.2
297.00595	0.5
298.01062	0.8
299.02005	14.2
300.02756	73.4
301.03229	13.5
302.03488	2.1
314.00497	0.6
315.01401	4.7
316.02234	68.3
317.02747	5.3
345.22766	0.6
433.07504	0.6
547.23737	0.6
549.15100	0.4
549.21875	21.5
550.22296	20.6
551.22717	14.2
579.13586	64.0
580.13904	12.8
581.13867	3.9
593.11603	1.8
594.11957	3.6
595.13037	100.0
595.29303	3.0
596.13391	8.5
878.45361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03317	2.8
83.01257	5.6
83.04895	0.7
89.02325	0.9
93.03351	2.9
95.01264	1.8
95.04899	3.3
96.95896	0.5
97.02841	8.6
98.20555	1.8
101.02348	1.3
107.04902	1.3
108.02075	2.7
109.02845	25.9
109.06517	0.5
113.02336	0.7
117.03387	0.6
121.02837	6.1
122.03629	1.6
123.00771	0.7
123.03541	0.8
123.04430	17.8
125.02350	17.9
125.09606	1.0
131.04950	1.0
133.02867	1.8
135.04425	3.7
137.02353	21.4
138.02908	0.8
139.03935	5.4
145.02893	2.0
146.03651	2.3
147.04434	2.0
149.02373	7.9
150.03114	0.6
151.03937	9.6
152.46402	0.5
157.06491	0.7
159.04456	6.6
160.05214	2.2
161.02383	5.0
161.06017	9.7
162.03119	2.3
163.00261	1.7
163.03899	1.1
164.01102	5.7
165.01866	7.3
167.03438	2.8
167.04756	0.5
173.06030	1.9
174.03139	1.5
174.06641	0.6
175.03972	4.3
175.07559	4.5
176.01108	1.0
177.01868	2.7
177.05521	1.6
179.03416	7.3
185.05994	1.8
187.03929	9.4
188.04753	6.1
191.03432	0.6
197.11806	0.9
199.07581	1.0
201.05554	1.2
202.06294	3.1
203.03429	1.3
203.07101	22.5
205.05017	13.1
207.10297	0.5
209.11809	0.7
212.04732	0.7
217.05174	0.5
217.08626	0.7
221.08145	3.4
223.13399	1.9
227.07120	2.9
229.05003	1.0
230.04234	0.6
231.03011	1.5
245.08176	23.3
246.08450	1.2
247.06123	2.6
265.14526	0.9
271.06052	1.2
273.11441	0.6
277.21686	2.2
289.07205	89.7
290.07629	3.7
291.19562	0.7
293.21408	3.1
299.02075	0.8
309.20767	3.5
329.16104	0.7
375.90948	0.6
397.13574	2.0
417.77917	0.5
453.18909	0.6
497.18341	0.8
903.64850	0.6
967.49335	2.1
1021.50055	6.9
1022.50812	1.3
1129.52734	1.8
1130.52344	1.0
1155.53589	7.8
1156.53503	1.2
1173.54956	100.0
1174.55432	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	1170.585
Annotation	Unknow
Peak:m/z	Relative Intensity
81.04464	0.5
82.02845	0.8
84.00818	0.2
84.04420	0.2
85.19454	0.2
86.02360	2.1
86.05993	0.5
86.98966	0.7
87.05520	1.5
88.03942	0.2
90.00067	0.9
95.02403	0.3
96.04456	0.2
96.95924	0.4
97.03941	1.1
98.02325	0.2
99.05521	6.9
100.00316	0.2
101.02370	0.2
101.07082	1.0
102.05488	1.2
107.06039	0.6
109.03980	1.6
109.07537	0.2
111.05547	0.7
112.03927	0.7
113.03439	0.3
116.01649	0.7
120.01143	0.3
121.03989	0.3
123.05533	0.7
124.04012	0.4
125.03450	0.7
126.01862	0.3
127.05008	1.4
128.03433	20.3
129.03770	0.2
129.99525	0.2
131.04514	0.6
132.08449	0.2
135.05539	2.6
136.03928	0.2
137.07114	0.7
139.05040	0.3
141.06586	1.8
143.04529	26.0
144.04909	0.3
145.06094	1.2
146.04507	2.4
147.18282	0.2
149.07037	0.3
153.06601	2.0
155.08170	0.4
160.00658	8.5
166.09755	1.0
167.04544	2.4
167.08183	1.5
170.03281	0.5
171.04028	0.5
171.07681	0.5
177.03334	3.2
179.04546	6.7
180.04942	0.2
181.06096	0.5
184.10880	0.3
185.05600	1.5
192.07674	0.7
197.05547	0.9
198.08676	0.2
209.11795	0.5
210.08794	6.6
213.03368	0.3
228.09845	0.4
231.04445	0.3
236.06697	0.3
242.07761	0.7
254.07825	7.9
255.23267	0.4
265.14764	0.4
272.08887	16.0
273.09125	0.3
279.23270	1.0
288.06601	6.0
299.01862	0.3
306.07651	100.0
307.07938	2.4
404.85455	0.2
476.27777	0.6
643.20496	0.4
780.19031	0.2
1108.57837	0.3
1152.57324	0.6
1170.58325	8.2
1171.59058	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79818	0.4
55.01752	1.0
59.01236	0.6
71.01225	0.9
71.04876	0.5
71.26508	1.0
73.02820	100.0
74.02344	0.8
74.03145	3.1
79.24746	0.4
85.92497	0.4
99.00756	8.6
99.92459	7.8
100.01084	0.6
100.92492	0.8
111.66180	0.4
116.92744	14.5
117.01828	9.7
117.92754	1.8
118.02155	0.5
118.04067	0.5
139.98100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03300	0.1
83.01263	0.4
85.02343	0.1
85.02828	1.4
87.00724	0.3
89.02300	0.4
91.01762	0.1
91.03886	0.1
93.03329	0.1
93.81347	0.1
95.01247	0.3
99.00761	0.7
101.02287	0.2
103.00225	0.1
103.03844	0.1
107.01273	1.0
108.02052	1.1
109.02818	0.3
111.00722	0.1
113.02326	1.3
115.00220	0.1
117.01792	0.1
121.02811	0.2
121.10092	0.2
123.00746	0.1
124.01558	0.1
125.02274	0.1
127.03905	0.1
129.01840	0.1
129.64880	0.1
135.00743	0.4
147.00772	0.1
148.01561	1.0
149.02185	0.1
151.00278	2.6
152.00987	0.2
153.01851	0.2
155.04892	0.1
157.01285	0.1
163.00305	0.5
163.03809	0.1
164.01125	0.4
165.09106	0.2
167.10695	0.2
169.01358	0.3
171.04295	0.1
173.02266	0.1
174.03209	0.1
175.02350	0.1
178.99796	1.5
179.58403	0.1
183.04408	0.2
185.02400	0.1
187.03864	0.3
190.99887	0.1
192.00543	0.2
198.03120	0.2
199.03856	0.7
200.04350	0.1
201.01886	0.2
202.02736	0.1
203.03522	0.2
205.07167	0.1
211.03902	0.4
213.01830	0.1
215.03456	0.6
216.04256	0.5
226.02647	1.2
227.03445	2.0
228.03947	0.2
229.01416	0.2
230.02180	0.1
231.04982	0.2
243.02966	9.1
244.03474	0.8
245.04332	0.1
249.06157	1.1
254.02205	1.8
255.02966	22.4
256.03360	1.3
267.07367	0.3
271.02472	50.4
272.02914	4.0
273.03778	0.2
283.02417	0.1
299.02011	2.0
300.02740	85.7
301.03217	8.2
302.03818	0.2
329.15921	0.3
343.04248	0.1
355.04337	0.1
415.06650	0.3
433.07776	0.2
578.12573	0.1
579.13733	100.0
579.22980	17.8
580.13959	11.3
580.23260	1.3
581.14392	0.2
1072.78979	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	1159.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03300	0.1
83.01263	0.4
85.02343	0.1
85.02828	1.4
87.00724	0.3
89.02300	0.4
91.01762	0.1
91.03886	0.1
93.03329	0.1
93.81347	0.1
95.01247	0.3
99.00761	0.7
101.02287	0.2
103.00225	0.1
103.03844	0.1
107.01273	1.0
108.02052	1.1
109.02818	0.3
111.00722	0.1
113.02326	1.3
115.00220	0.1
117.01792	0.1
121.02811	0.2
121.10092	0.2
123.00746	0.1
124.01558	0.1
125.02274	0.1
127.03905	0.1
129.01840	0.1
129.64880	0.1
135.00743	0.4
147.00772	0.1
148.01561	1.0
149.02185	0.1
151.00278	2.6
152.00987	0.2
153.01851	0.2
155.04892	0.1
157.01285	0.1
163.00305	0.5
163.03809	0.1
164.01125	0.4
165.09106	0.2
167.10695	0.2
169.01358	0.3
171.04295	0.1
173.02266	0.1
174.03209	0.1
175.02350	0.1
178.99796	1.5
179.58403	0.1
183.04408	0.2
185.02400	0.1
187.03864	0.3
190.99887	0.1
192.00543	0.2
198.03120	0.2
199.03856	0.7
200.04350	0.1
201.01886	0.2
202.02736	0.1
203.03522	0.2
205.07167	0.1
211.03902	0.4
213.01830	0.1
215.03456	0.6
216.04256	0.5
226.02647	1.2
227.03445	2.0
228.03947	0.2
229.01416	0.2
230.02180	0.1
231.04982	0.2
243.02966	9.1
244.03474	0.8
245.04332	0.1
249.06157	1.1
254.02205	1.8
255.02966	22.4
256.03360	1.3
267.07367	0.3
271.02472	50.4
272.02914	4.0
273.03778	0.2
283.02417	0.1
299.02011	2.0
300.02740	85.7
301.03217	8.2
302.03818	0.2
329.15921	0.3
343.04248	0.1
355.04337	0.1
415.06650	0.3
433.07776	0.2
578.12573	0.1
579.13733	100.0
579.22980	17.8
580.13959	11.3
580.23260	1.3
581.14392	0.2
1072.78979	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	1157.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	0.7
85.02831	2.9
87.00761	0.9
89.02317	0.4
91.01759	0.2
95.01275	0.6
97.02846	0.2
99.00749	0.9
101.02319	0.5
103.59647	0.2
107.01292	0.9
108.02065	0.6
109.02797	0.2
111.00867	0.2
113.02341	3.3
114.53959	0.2
115.00273	0.3
119.03364	0.2
121.02865	0.3
131.03380	0.4
135.00858	0.4
148.01572	0.8
149.02344	0.2
151.00272	2.9
160.03969	1.1
163.00229	0.4
164.01073	0.3
169.01389	0.3
173.04501	0.5
175.02403	0.5
178.99783	1.8
180.75896	0.2
187.03917	0.2
191.05579	0.2
199.03918	0.7
201.01961	0.3
203.03500	0.2
211.03873	0.2
215.03462	0.5
216.04184	0.3
226.02638	1.1
227.03477	1.6
228.03958	0.2
243.02965	7.9
244.03413	0.6
254.02228	1.7
255.02968	20.2
256.03378	1.1
271.02481	44.8
272.02972	3.1
284.03223	0.4
285.03970	0.3
299.01993	2.0
300.02747	83.2
301.03287	7.7
302.03516	0.3
331.66833	0.2
343.04474	0.2
447.09369	0.2
463.09082	0.2
530.16907	0.4
547.23981	17.4
548.17346	0.4
548.24500	1.5
565.21490	0.7
609.14600	100.0
610.14966	8.7
610.25134	0.3
815.04468	0.2
843.73889	0.2
870.91632	0.2
1016.76501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.5647
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03349	2.5
83.01263	4.2
87.00751	0.7
89.02349	0.8
93.03365	2.6
95.01236	0.9
95.04890	2.2
97.02834	6.0
99.04367	0.4
101.02366	0.9
107.04913	0.8
108.02070	1.4
109.02843	18.3
110.03181	0.4
112.52557	0.4
113.02352	0.4
116.92751	0.7
117.03368	0.6
121.02861	5.2
122.03622	1.2
123.00843	0.6
123.04417	13.9
125.02347	14.5
125.09634	0.8
126.02779	0.4
133.02852	1.1
133.06496	0.4
135.04422	2.5
137.02351	18.2
138.03151	0.5
139.03938	4.4
143.04935	0.5
145.02856	1.4
146.03627	1.5
147.04401	1.2
149.02353	5.8
149.05945	0.7
150.03087	1.4
151.03929	7.0
157.06644	0.5
158.03600	0.7
159.04417	4.9
160.05244	2.2
160.06447	0.4
161.02365	3.2
161.05992	6.8
162.03192	2.5
163.00241	1.9
163.03900	1.4
163.11220	0.5
164.01057	4.1
165.01855	5.6
165.05519	0.6
166.02660	0.6
167.03436	2.3
171.10207	0.7
173.02351	0.5
173.06017	0.7
174.03119	1.2
174.06761	0.4
175.03958	3.5
175.07545	2.7
176.01086	0.8
177.01912	2.0
177.05563	1.0
178.02640	0.7
179.03419	5.1
183.01161	0.6
183.04384	0.4
184.05258	0.5
185.06029	1.6
185.11755	0.4
187.03940	7.0
188.04732	4.4
189.01872	0.4
190.02614	0.6
199.07594	0.9
201.05507	1.1
202.06314	2.6
203.03397	0.9
203.07088	16.7
204.04263	0.4
204.07367	0.6
205.05003	11.6
207.10242	0.4
209.11815	0.5
211.13448	0.4
212.04781	0.6
213.05353	0.4
217.08742	0.6
221.08173	2.1
223.13327	1.0
227.07053	3.2
229.04993	0.4
230.05803	0.6
231.02881	0.9
245.08180	21.8
246.08472	1.0
247.06096	1.6
253.09204	0.5
255.23306	4.1
271.06116	1.2
273.11362	0.5
289.07196	69.0
290.07581	2.5
291.12259	0.6
293.21173	1.3
294.21582	0.7
311.16818	0.8
327.21619	3.2
328.22159	1.4
497.18546	0.7
945.51196	1.4
948.42542	0.4
987.52521	0.4
999.51727	5.1
1000.53131	0.7
1107.54053	1.7
1133.55078	6.6
1134.55518	1.1
1151.56506	100.0
1152.56677	15.7
1161.09814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03342	1.4
83.01260	5.0
85.02805	0.7
89.01823	0.7
89.02370	0.8
93.03360	2.0
95.01288	1.6
95.04903	2.9
97.02838	7.1
101.02350	0.8
108.02068	1.2
109.02844	19.9
121.02843	5.1
122.03648	1.3
123.04427	15.0
125.02352	14.6
125.09649	0.7
133.02882	1.1
135.04419	2.4
137.02348	20.6
139.03925	4.8
145.02870	1.4
146.03697	2.0
147.04404	0.8
149.02341	6.0
150.02962	0.8
151.03923	7.9
159.04407	5.1
160.05232	1.4
161.02327	3.3
161.06010	7.5
162.03107	1.9
163.00284	1.2
163.03952	1.3
164.01093	3.9
165.01860	5.4
167.03450	2.6
171.10258	1.3
173.06024	1.5
174.03156	1.0
175.03955	4.1
175.07599	3.5
176.01175	1.0
177.01869	3.7
177.05466	0.9
179.03397	7.0
185.05983	1.5
187.03963	6.2
188.04773	5.5
192.65483	0.7
199.07587	1.0
201.05515	1.5
202.06285	2.0
203.07083	16.2
204.07562	0.9
205.05019	11.3
210.07091	0.7
211.13376	0.8
212.04807	0.7
217.08591	0.8
221.08145	2.4
227.07115	2.5
231.02957	1.3
245.08185	21.0
245.10733	1.1
246.08546	1.1
247.06082	1.2
249.15005	0.7
255.23305	4.6
271.06253	1.2
277.21704	0.9
289.07202	79.6
290.07602	4.0
293.21323	2.0
294.21243	1.0
309.20673	1.4
327.21802	3.9
328.22214	2.9
497.18317	1.0
945.51215	0.9
999.52014	7.8
1000.52856	1.1
1107.54346	2.4
1133.55688	6.7
1151.56531	100.0
1152.56812	22.5
1173.04944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35645	3.1
59.01235	8.1
70.06879	13.6
71.01260	100.0
87.00768	6.9
91.58862	3.7
115.00276	6.0
115.05827	16.7
115.91908	3.9
116.07053	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	115.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02839	2.1
59.01254	5.0
60.90355	1.1
64.01797	5.8
65.01324	21.1
70.75468	1.1
71.01261	7.3
71.04898	11.0
71.58131	1.6
72.00832	1.1
73.03944	27.6
74.02338	8.0
81.50768	1.2
87.00762	3.5
88.01818	2.1
89.01334	42.0
97.93019	20.6
99.92466	2.6
107.39539	1.2
114.93304	36.0
115.00291	1.6
115.02917	23.6
115.03872	4.2
115.07543	100.0
115.91969	3.0
116.02438	45.3
116.03226	2.8
116.07056	3.7
116.07872	4.9
116.92770	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	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50877	1.0
58.00494	1.0
59.01255	15.5
70.51624	1.0
70.58649	3.8
71.01255	100.0
71.04897	3.2
72.01595	3.4
72.99171	2.0
74.02377	1.4
78.22818	1.0
86.60329	1.0
87.00756	11.5
115.00281	8.7
115.03889	3.5
115.05837	5.6
116.07083	10.7
117.29381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01275	1.0
91.01766	0.3
93.03324	0.3
107.01266	2.8
108.02094	1.1
109.02831	2.1
119.01274	0.4
121.02843	3.0
125.02312	0.6
135.00758	0.8
135.78183	0.2
139.03918	0.3
148.01569	1.1
149.02313	0.7
151.00275	11.8
153.01834	0.2
157.06422	0.2
159.04407	0.5
161.02379	0.3
161.06062	0.2
163.00291	3.0
164.01053	0.4
169.01395	1.2
171.04356	0.6
174.03026	0.3
178.99785	6.8
183.04430	0.8
185.02330	0.2
187.03938	1.0
190.99753	0.4
192.00565	0.5
193.01294	0.3
198.03033	0.4
199.03868	1.2
201.02008	0.3
201.05469	0.7
203.03493	0.6
211.03896	1.5
213.01854	0.4
214.02603	0.2
215.03485	0.5
216.04277	0.5
226.02672	1.3
227.03455	3.3
228.04155	0.2
229.01341	0.3
229.04994	0.9
239.03441	0.5
243.02968	9.5
244.03426	0.4
245.04501	2.1
254.02119	1.8
255.02968	23.2
256.03406	1.6
257.04678	0.4
266.02234	0.5
271.02475	49.6
272.02939	2.9
273.04037	1.4
283.02490	1.8
299.01959	2.6
300.02737	76.6
301.03506	66.9
301.10580	0.5
302.03885	2.5
318.54233	0.3
431.06326	0.6
432.06961	0.6
433.07730	100.0
434.08023	4.6
581.81549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95783	50.0
95.16560	0.4
96.96839	3.8
98.20787	0.4
137.76790	0.3
150.97920	0.9
152.99506	58.4
171.00571	15.7
209.11751	0.4
211.13179	0.4
227.03203	4.6
245.04311	84.9
246.04639	1.4
253.21730	46.0
254.22113	2.2
277.21725	0.4
357.90479	0.4
453.09442	0.6
481.25757	100.0
482.26132	6.1
566.80792	0.4
643.62000	0.4
811.22357	1.5
911.44318	1.1
1139.48584	20.2
1140.49146	5.7
1146.79089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.055
Annotation	D-Proline
Peak:m/z	Relative Intensity
50.96743	0.5
53.29357	0.5
59.01270	3.2
59.01502	0.5
66.03368	3.1
69.72531	4.2
71.01256	30.5
71.04887	1.4
72.00777	0.8
73.03944	1.0
77.94862	0.7
80.99204	0.6
85.02858	0.6
85.48227	0.6
86.02356	2.0
87.00762	3.1
109.04605	0.7
112.03969	1.1
114.01864	1.0
114.05495	100.0
114.93291	1.7
115.00280	2.9
115.05840	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	1135.7121
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04913	0.1
81.03329	3.6
83.01254	5.4
83.04894	8.3
84.05219	0.2
85.02821	1.8
87.00753	0.5
89.02325	1.6
93.03326	0.2
95.01252	0.5
97.02834	0.3
99.00784	0.1
100.07578	0.1
101.02322	12.3
108.04422	0.2
111.00798	0.1
113.02330	5.1
119.03407	1.5
119.04841	0.1
121.02858	0.2
125.02328	0.7
125.07097	0.6
126.05480	0.2
131.03395	1.3
136.01616	0.1
137.02373	0.2
143.03384	1.6
143.08157	0.3
149.02336	0.3
149.04449	2.7
150.03116	1.0
151.03604	0.2
155.03433	0.5
157.13368	0.2
159.43964	0.1
160.35979	0.1
161.04462	4.5
165.01883	0.1
165.05463	0.9
166.05774	0.2
180.04102	0.1
195.06566	0.4
196.06874	0.2
203.05577	0.7
207.14984	0.8
221.06604	1.4
222.07010	0.1
224.17621	1.8
225.16039	9.8
226.16365	0.3
242.18665	0.5
268.16550	0.2
271.02448	0.2
285.03949	0.1
290.22366	0.2
291.20700	0.2
300.02875	0.1
301.03461	0.2
309.21683	0.7
324.26480	0.5
333.22971	0.7
341.29199	0.9
367.27133	1.1
379.27463	0.1
385.28241	0.4
407.33771	0.2
433.31711	1.2
450.34390	1.1
451.32886	6.8
452.33057	0.6
535.38519	0.2
550.43433	1.1
559.39716	0.5
565.44592	0.3
577.40851	0.2
593.43628	0.7
659.48621	2.4
660.48358	0.2
677.49670	100.0
678.50000	12.5
679.51373	0.1
811.30988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.6405
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95779	31.6
80.96324	1.0
95.92386	0.9
96.96841	2.2
114.33852	1.0
116.92745	1.2
152.99498	39.2
171.00543	10.6
227.03110	1.1
245.04298	55.6
246.04678	1.0
253.21729	31.4
254.21931	1.0
294.40451	0.9
311.72400	0.8
481.25745	100.0
482.26016	6.9
1135.55896	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	113.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	12.4
58.02850	6.6
63.61431	3.3
66.03367	3.5
68.99428	6.9
69.03326	4.8
69.35369	35.6
71.01248	8.5
71.02374	14.8
72.00761	10.7
83.77633	3.3
84.02031	3.4
85.02813	30.0
86.21399	3.1
95.52502	3.8
96.00783	8.3
113.02344	18.9
113.03407	4.4
113.05981	100.0
114.01861	9.1
114.05509	84.7
114.06284	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	1133.7366
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95834	0.6
83.04941	0.4
85.02809	0.4
87.00792	0.4
89.02359	0.9
96.95928	0.4
97.02863	1.2
97.06476	0.6
98.19788	0.5
101.02375	1.1
109.06458	0.5
111.08059	2.5
113.02364	0.9
113.09649	1.5
116.92773	0.8
123.08153	0.4
125.09610	0.6
137.09650	0.7
151.11171	0.6
152.22324	0.4
161.04489	0.9
163.11218	0.7
165.12758	1.2
169.12296	1.3
171.10240	1.5
177.12744	0.6
179.14375	1.2
181.12308	0.9
186.22205	0.4
193.12234	0.6
195.13863	13.4
196.14204	0.5
197.11780	13.2
198.12164	0.4
199.13290	1.0
199.37097	0.4
209.11761	1.0
211.13338	3.4
220.04437	0.4
227.12892	1.6
235.08208	1.9
247.20746	1.4
253.09283	12.4
263.20129	0.9
273.18683	1.2
277.21747	14.4
278.22137	0.9
291.19702	20.2
292.20016	0.8
293.21262	1.6
295.22806	100.0
296.23169	4.9
309.20740	65.2
310.21060	4.2
325.20175	0.8
433.21124	0.7
527.28619	1.5
545.29614	4.6
546.31183	0.6
601.41119	2.5
602.86993	0.5
837.50140	0.9
995.28418	0.5
1094.37598	0.4
1133.56604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01259	0.6
85.02847	0.5
87.00763	0.1
89.02345	0.2
89.04985	0.1
91.01780	0.2
93.03358	0.2
98.19913	0.2
99.00720	0.2
107.01268	1.6
108.02052	1.0
109.02831	1.0
113.02360	0.7
115.00304	0.1
119.01251	0.2
121.02849	1.2
121.45188	0.1
124.01524	0.2
125.02348	0.2
131.83594	0.1
133.02844	0.2
135.00786	0.5
139.03900	0.2
143.04861	0.1
148.01584	1.0
149.02325	0.3
151.00279	7.6
152.00955	0.2
153.01814	0.2
159.04404	0.3
161.02371	0.2
163.00298	1.5
164.01089	0.6
167.67140	0.1
169.01411	0.6
171.04413	0.1
172.87273	0.1
175.03871	0.2
178.99789	3.6
183.04398	0.3
187.03937	0.3
190.02586	0.1
191.03596	0.1
192.00534	0.2
193.01341	0.2
198.03094	0.3
199.03897	0.6
201.01924	0.2
201.05492	0.3
202.02657	0.1
203.03409	0.3
211.03964	0.8
212.04819	0.1
215.03349	0.5
216.04170	0.5
226.02696	1.0
227.03458	2.5
228.04202	0.2
229.01405	0.3
229.04980	0.3
239.03438	0.3
242.01985	0.1
243.02975	8.5
244.03600	0.6
245.04591	0.8
249.06221	0.4
254.02167	1.7
255.02977	23.4
256.03403	1.3
257.04648	0.2
266.02216	0.1
267.07315	0.1
271.02478	47.4
272.02979	2.9
273.04056	1.0
283.02512	0.7
299.02008	1.5
300.02750	83.9
301.03479	28.1
302.03931	1.0
312.13211	0.1
343.04483	0.1
463.08917	2.0
483.94470	0.1
505.09894	100.0
506.10220	6.2
507.10565	0.2
547.23969	0.3
548.24738	0.2
576.62775	0.1
579.13562	9.7
579.22998	5.0
580.14288	1.2
580.23224	0.2
581.14435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	68.0
94.80702	0.2
96.96837	5.6
111.01694	0.2
136.21365	0.2
150.97920	0.8
152.99490	75.0
153.99828	0.7
161.72955	0.2
165.84383	0.2
169.24367	0.2
171.00557	19.5
176.23376	0.2
185.30898	0.2
198.68074	0.2
227.03217	4.3
245.04289	85.4
246.04688	1.4
253.21703	43.6
254.22047	1.7
322.68802	0.2
447.47379	0.2
481.25714	100.0
482.26111	5.5
795.22852	1.5
869.26361	0.2
895.44617	0.7
1123.48938	16.7
1124.48804	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	1127.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01249	1.1
85.02827	8.6
87.00755	2.0
89.02310	0.8
95.01260	0.9
98.20555	0.6
99.00766	2.3
101.02335	2.2
104.94913	0.3
107.01226	0.7
108.02059	0.7
113.02335	8.0
115.00256	0.6
117.01810	0.4
125.02316	0.3
129.01833	0.3
135.00777	0.3
137.09538	0.3
138.88007	0.2
148.01558	0.9
151.00299	2.1
157.01286	0.3
159.02863	0.3
161.04474	0.6
163.00317	0.4
164.01109	0.4
173.04465	0.4
175.02383	1.0
178.99794	1.2
199.03989	0.4
201.01906	0.3
209.15421	1.1
211.03976	0.4
215.03525	0.3
216.04256	0.3
226.02655	1.0
227.03563	1.3
233.86610	0.3
243.02959	7.0
244.03430	0.4
254.02162	1.3
255.02975	18.5
256.03403	0.9
271.02481	44.0
272.02924	3.1
299.01987	1.4
300.02747	74.2
301.03244	6.3
371.20538	0.4
547.23999	57.3
548.24481	3.6
579.13568	100.0
580.13910	7.5
1142.68604	0.3
1155.82898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01278	0.2
98.20470	0.3
104.64222	0.2
107.01259	1.1
108.02041	0.3
132.02078	0.9
135.00778	0.7
151.00259	2.0
163.00272	1.0
164.01038	0.5
169.01372	0.4
178.99762	0.8
179.62959	0.2
183.04434	0.9
185.02406	0.3
185.06010	0.3
187.03897	0.4
195.04439	0.2
199.04015	0.3
200.04659	0.3
211.03931	1.6
227.03453	32.3
228.03911	1.4
229.05016	0.8
239.03485	0.8
243.02992	0.5
255.02974	64.4
256.03586	5.1
257.04529	1.0
260.53122	0.2
271.02420	2.7
283.02505	1.2
284.03265	76.6
285.03876	8.8
286.04184	0.4
300.02768	3.2
301.03445	1.3
309.04196	0.3
326.04251	0.3
327.05334	0.5
429.08844	0.2
433.07776	2.7
434.07916	0.2
471.09247	0.7
517.86963	0.2
624.11438	0.2
635.16187	100.0
636.16479	9.4
679.25397	0.3
781.93018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00202	1.3
55.01761	8.6
67.01763	21.8
68.01283	1.0
68.02100	1.6
68.99677	1.4
69.03329	1.9
71.01248	1.7
78.95780	30.5
79.95606	1.7
80.24327	0.8
81.57619	1.2
83.01262	32.7
83.04880	1.0
84.01627	1.5
85.02810	2.0
93.03345	1.4
110.97480	3.7
111.00766	100.0
111.01943	2.9
111.04395	2.8
112.00402	1.2
112.01115	4.2
112.03915	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97178	1.2
55.01761	14.3
55.65728	1.1
67.01767	22.7
68.02087	1.3
68.99693	2.1
71.01265	2.5
71.23830	2.6
78.91304	1.3
78.95781	100.0
83.01258	38.2
84.01572	2.5
110.97458	4.3
111.00770	69.5
111.04367	1.8
112.01134	1.9
112.03947	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01270	1.6
93.03347	0.8
98.19830	1.4
101.81924	0.8
107.01292	4.0
121.02836	3.0
121.03664	0.7
124.81702	0.6
145.46799	0.6
149.02444	1.0
150.99124	1.3
151.00285	20.1
163.00282	1.0
169.01353	1.1
173.04614	0.7
178.99794	10.4
183.04434	1.1
191.05577	5.9
196.70236	0.8
199.03877	1.1
226.02736	0.7
227.03456	2.2
229.05109	0.8
231.90433	0.7
233.06622	1.0
243.02963	6.0
244.03615	0.8
254.02275	1.3
255.02969	12.8
256.03418	1.1
271.02484	25.4
272.02890	1.7
273.03992	1.6
283.02448	0.9
294.30518	0.7
299.01971	10.4
300.02753	59.3
301.03528	68.8
302.03833	3.1
313.03381	0.8
336.33124	0.7
343.04773	1.2
462.08109	2.7
463.08813	15.5
595.83014	0.9
609.14624	47.2
610.15009	3.5
638.76654	0.7
755.20715	1.5
771.19885	100.0
772.20483	9.8
1123.43921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.681
Annotation	Unknow
Peak:m/z	Relative Intensity
80.25156	0.4
81.06946	1.0
82.38101	0.3
83.01241	1.2
85.02820	3.8
87.00739	1.5
89.02316	18.0
94.53191	0.4
95.01256	1.7
99.04394	3.6
101.02325	13.2
111.04420	0.8
113.02335	9.8
119.02578	0.7
119.03393	11.2
120.01025	0.4
125.02320	0.7
129.51106	0.4
130.39476	0.4
131.03380	1.7
143.03404	2.8
149.04602	0.8
149.05916	0.6
161.04448	2.9
161.13280	17.0
162.13524	0.7
179.05542	11.7
180.06003	0.4
187.11227	2.5
205.12282	33.4
206.12589	1.2
229.37077	0.4
249.11302	54.8
250.11652	1.5
255.02982	0.9
271.02588	0.4
284.03308	0.9
285.03842	0.5
293.85632	0.4
385.18738	4.7
429.17639	100.0
430.17896	4.6
447.09476	0.4
489.10544	1.3
656.67023	0.4
677.50677	0.5
686.08337	0.4
734.50665	0.4
761.48730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6793
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95782	5.4
78.96545	0.3
78.98473	1.8
79.95615	4.2
80.96397	23.9
81.03294	0.3
82.95959	0.9
83.34296	0.3
85.02834	1.2
87.00761	0.9
94.97971	6.5
96.95895	2.1
97.02814	0.6
101.02364	1.4
105.22633	0.2
106.98005	1.4
116.92786	0.5
122.97468	0.9
125.02353	1.8
134.97458	1.4
136.99045	0.7
148.99068	3.0
149.99409	0.3
152.98456	2.0
152.99718	1.2
160.79301	0.3
164.98558	6.1
164.99832	0.5
165.98869	0.4
168.04248	1.4
171.10301	0.4
171.58865	0.2
179.00172	0.3
206.99617	1.4
209.11836	0.5
211.13344	0.5
224.06888	1.3
225.00725	8.6
226.01035	1.5
242.07957	2.6
253.17685	0.2
261.22217	0.3
277.21710	0.8
278.22076	0.6
279.23300	100.0
280.23669	5.5
299.04358	1.5
504.31009	74.2
505.31326	5.5
519.27435	0.6
577.26923	39.6
578.27203	40.9
579.27112	6.0
579.35645	0.5
668.26154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95782	14.3
96.95886	0.4
96.96822	0.9
98.20456	0.3
101.02381	0.2
118.73876	0.2
119.85985	0.2
125.28911	0.2
152.99484	2.3
171.00545	2.4
189.77806	0.2
265.14856	0.2
279.20447	0.4
279.23300	4.6
280.23788	0.2
319.99112	0.2
402.23975	0.3
437.12610	0.5
438.13315	0.9
449.16278	0.3
450.13232	0.3
451.14227	1.0
452.14905	2.7
453.15411	0.3
465.16519	0.4
466.16782	0.4
467.17233	0.2
469.11505	0.3
470.16190	0.3
476.27829	10.3
477.28143	0.4
479.17377	0.8
480.14182	0.6
481.15076	6.8
482.15591	0.8
484.13797	0.6
491.16263	0.2
493.15585	1.5
494.16022	0.8
495.16794	12.3
496.17285	1.7
498.15045	0.3
507.16302	0.9
508.17868	2.1
509.18402	1.2
512.12842	1.3
518.15851	0.4
521.14331	0.9
522.15625	0.4
523.19379	0.7
525.16156	0.2
526.14960	0.8
530.14117	0.3
533.18347	0.8
535.16528	1.6
536.17023	2.3
539.15521	0.6
540.16931	2.9
541.17358	0.3
551.19415	35.0
552.19641	4.5
553.17432	0.5
554.18207	1.4
555.18927	0.7
567.18951	0.6
568.16180	0.5
572.15564	2.8
573.15222	0.4
583.21777	0.4
586.17041	2.9
587.17535	0.6
595.18390	2.0
596.19116	0.2
627.21014	100.0
628.21252	11.2
973.60907	0.2
1061.48389	0.3
1104.49939	2.6
1105.49988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01276	6.6
83.04903	2.4
85.02838	18.2
87.00751	19.1
89.02327	27.6
92.04944	3.7
93.54733	1.9
93.69352	1.8
95.01271	2.4
96.95911	2.8
97.02854	9.6
99.00775	5.1
99.04442	1.8
101.02330	31.2
109.02837	3.6
109.06486	3.8
111.04412	4.4
111.08038	8.6
113.02339	19.7
115.00278	12.6
119.03413	6.4
119.08566	3.0
120.64153	1.7
121.02876	4.9
123.04412	1.6
123.07944	2.2
125.02316	8.9
127.03938	2.1
131.03416	5.3
135.02910	7.0
136.03995	3.7
137.02357	2.2
139.03886	2.3
141.01842	3.3
143.03439	6.0
145.04912	1.8
149.04539	2.7
161.04504	4.2
165.09125	2.6
165.12775	6.5
167.14323	2.0
169.05092	2.3
169.12253	5.3
171.10216	7.1
174.01520	2.2
175.02437	23.2
179.05557	6.4
181.08626	15.9
182.08931	2.3
183.10225	4.2
183.13838	5.3
191.14409	2.8
193.12331	3.7
195.13795	4.1
197.11787	51.3
197.13553	3.3
197.15561	2.8
199.13422	3.4
205.07175	2.3
209.11794	5.0
211.11464	4.0
211.13370	56.1
213.14903	18.5
221.06627	4.2
221.11833	2.6
223.13399	6.8
225.11240	3.1
227.12854	2.5
233.11873	3.3
235.08226	7.4
235.13335	7.5
237.14906	1.8
239.12894	4.1
241.14441	37.8
243.16032	5.1
247.20699	2.1
251.12903	7.3
253.09291	2.5
253.14479	6.6
259.13290	9.9
259.15750	2.6
263.12781	5.7
263.20255	2.7
265.14633	3.7
267.12173	2.4
277.14566	3.6
285.13394	3.7
291.19705	33.5
305.08630	2.7
309.20746	100.0
310.21170	6.4
315.14337	2.9
327.21729	4.9
329.15909	9.1
357.62576	1.9
379.12314	4.0
397.13556	45.8
401.08829	3.5
415.14490	19.5
515.33893	2.9
586.21619	2.2
591.26666	4.3
609.27582	10.1
621.27289	4.5
639.28839	15.1
649.27612	3.0
675.29016	3.4
689.33978	6.9
707.35120	11.5
708.34644	2.4
901.48395	9.9
902.48102	2.3
913.47040	8.6
931.49188	40.8
932.49567	6.7
941.46265	5.1
943.49023	6.5
953.47485	11.0
959.49176	5.3
967.48871	10.3
971.48053	7.7
973.47424	6.0
975.48132	34.3
976.48584	3.9
983.48431	7.3
995.48950	3.8
1015.47797	11.2
1031.50647	8.1
1033.48511	2.9
1075.50623	2.6
1093.50659	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	1093.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03320	1.3
83.04901	0.9
85.02843	1.1
87.00763	1.0
87.81181	0.3
88.04736	0.3
93.03333	11.5
99.00776	0.3
101.02345	0.3
109.02852	0.8
111.00742	0.5
111.04406	4.2
117.03342	5.2
118.03662	0.3
119.04921	19.4
120.05253	0.6
125.76895	0.3
127.03915	1.1
137.02345	2.3
140.35237	0.3
145.02858	19.7
146.03192	0.7
149.20833	0.3
155.03400	4.2
163.03918	14.3
164.04256	0.4
173.04474	38.7
174.04869	0.9
191.05550	14.0
192.06001	0.5
215.05542	0.7
218.21101	0.3
226.38129	0.3
233.06628	100.0
234.07011	2.9
258.27661	0.3
319.08218	35.0
320.08594	1.2
337.09299	3.0
341.11090	0.6
379.10324	20.3
380.10550	1.5
592.55310	0.3
618.89874	0.3
679.28192	0.3
1040.97473	0.3
1127.12097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
81.95863	0.3
85.02837	0.6
91.01787	0.3
98.19794	0.5
107.00312	0.3
107.01278	1.3
108.02061	1.0
109.02837	0.4
121.02843	0.4
137.82509	0.3
146.71863	0.3
148.01604	0.8
151.00290	3.9
163.00308	0.6
169.01385	0.4
173.04535	0.4
178.99792	2.5
191.05550	5.9
199.03778	0.5
211.03900	0.4
215.03513	0.6
216.04286	0.5
226.02646	1.2
227.03490	1.7
228.03889	0.3
229.05077	0.3
243.02954	7.9
244.03578	0.5
251.47377	0.3
254.02200	1.8
255.02963	20.2
256.03461	0.7
271.02478	47.7
272.03012	3.5
299.01965	2.1
300.02744	91.3
301.03308	8.2
337.09348	0.7
463.78873	0.4
640.34644	0.3
737.31677	0.4
755.20386	100.0
756.20801	8.6
790.79724	0.3
1060.37402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00230	7.0
55.22860	0.3
58.02850	11.4
59.03160	0.3
64.01801	1.2
65.01317	4.6
65.03843	0.4
65.60384	0.3
65.99714	0.8
66.00829	0.8
66.01659	0.7
66.03374	1.5
67.00057	0.3
67.02885	100.0
68.01284	5.3
68.02428	1.2
68.03220	2.9
69.00816	0.3
71.32300	0.3
71.57824	0.4
79.02877	2.1
81.03330	1.4
81.04459	1.0
81.99223	0.7
82.02857	19.2
89.11023	0.3
89.90008	0.3
91.01738	1.5
108.02051	8.5
109.02846	33.4
109.03967	22.4
110.02467	2.3
110.03246	1.5
110.03381	1.4
110.04311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95779	78.0
79.23643	0.4
81.95290	0.4
86.31813	0.3
87.34791	0.4
88.98671	0.6
89.02271	0.3
91.63390	0.4
96.96842	7.6
150.97916	1.9
152.99493	100.0
153.99779	0.7
171.00542	3.7
211.04158	0.3
271.02667	0.9
279.23273	1.1
300.02768	1.7
301.03458	0.6
433.07706	1.4
433.23575	22.2
434.24026	1.1
519.42810	0.4
721.19214	1.1
728.96600	0.4
772.89124	0.4
795.22809	1.8
802.16272	0.4
947.81934	0.5
1031.34619	0.4
1053.01428	0.4
1075.46814	14.6
1076.47363	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	1075.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	2.1
82.01567	1.2
82.02853	1.4
83.01256	2.6
83.02380	3.3
83.04860	1.6
85.02831	18.3
87.00748	7.8
89.02326	11.7
93.03345	4.2
93.04491	2.5
93.22948	1.2
94.02851	1.2
95.01215	1.9
96.00794	22.3
96.95923	2.0
97.00315	3.2
97.03985	1.5
98.01085	2.9
98.02383	2.3
99.00797	3.3
99.01901	12.6
99.04401	2.9
100.03923	2.5
101.02340	11.5
103.03876	1.4
108.03189	3.4
109.02858	1.5
109.03990	1.8
110.02374	1.9
111.01906	2.2
111.05524	19.9
112.03940	1.5
113.02335	8.5
113.03425	8.1
116.04948	9.8
117.03366	3.0
119.02413	2.8
119.03471	1.4
119.04927	18.6
119.08553	3.0
121.02866	1.7
121.10135	1.9
125.02328	3.1
127.03952	2.0
128.04930	2.7
131.03401	11.6
133.05170	1.3
134.03607	2.6
137.03465	4.5
143.03377	2.8
144.04515	1.7
144.11351	3.1
145.01320	2.7
145.02831	5.8
145.04958	5.5
145.06490	1.8
146.06036	1.7
149.04483	2.8
153.06619	17.0
154.09795	2.7
160.03944	3.7
161.04739	1.5
162.05524	19.8
163.06087	2.4
163.07520	1.9
165.09123	3.2
166.09778	18.5
170.09279	14.2
171.05536	20.2
179.04445	8.1
179.08150	3.8
181.08528	1.6
182.09238	4.5
183.10139	2.6
183.12410	1.9
184.10822	5.3
187.05038	18.6
189.06676	9.8
191.05540	8.0
192.05748	1.9
196.07243	3.6
197.05643	4.1
199.11858	2.7
200.05811	2.4
201.06627	4.2
201.13499	8.9
205.06061	2.1
207.55229	1.3
209.11911	1.5
211.11850	2.9
214.08336	2.4
226.06178	3.6
227.11479	5.8
229.08623	2.0
242.13818	2.6
244.09770	2.4
245.12947	3.9
272.11539	2.0
272.14056	3.8
273.12424	1.5
299.05417	1.4
307.10785	3.4
307.17874	2.6
311.14862	2.1
315.14471	8.1
316.11539	2.5
321.94131	1.5
323.09909	6.3
329.16010	22.7
330.16385	3.8
333.15793	4.1
334.12445	2.4
337.11487	9.3
338.11777	2.3
345.15540	3.0
347.17249	3.4
372.19131	1.8
390.17926	6.5
391.16986	2.2
429.21317	4.2
434.17511	1.5
439.15085	1.4
461.23926	1.7
472.94330	1.5
496.22150	1.9
535.24792	3.5
567.28955	1.9
641.27405	4.6
725.33032	100.0
726.33777	8.9
729.36273	7.9
739.34802	6.9
757.35693	32.0
758.36554	3.2
822.34729	4.6
879.38916	1.9
905.38452	7.5
923.39551	11.6
937.41248	5.0
955.42340	11.5
956.42383	2.1
1025.42712	40.9
1026.43201	5.7
1043.43726	39.9
1044.44263	6.1
1057.44910	9.4
1058.44141	2.9
1071.09912	1.6
1075.46521	44.8
1076.46130	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	1069.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	8.6
81.32423	0.5
83.01244	1.2
85.02824	10.8
87.00742	2.4
88.41122	0.5
89.02337	2.6
95.01257	1.7
98.19817	1.1
99.00765	3.9
101.02331	1.7
107.01274	2.0
109.02830	0.6
113.01622	0.8
113.02332	11.3
115.00243	0.8
117.01796	1.0
119.03370	0.7
121.02790	0.9
125.02361	0.7
131.03459	0.5
137.49310	0.6
141.98820	0.6
143.61559	0.5
145.69417	0.5
149.02286	0.7
151.00273	6.7
169.01338	0.7
173.04469	1.8
175.00201	0.6
175.02357	0.8
178.99742	1.6
191.05542	1.1
199.03935	2.2
201.05486	0.6
211.04028	0.7
215.03348	0.8
226.02740	0.6
227.03444	2.2
228.67525	0.6
243.02939	2.5
254.02312	0.5
255.02885	2.3
271.02484	42.7
272.02869	2.3
285.03952	0.9
299.01962	66.7
299.99399	1.0
300.02655	12.5
301.03537	55.2
302.03952	2.5
313.03326	1.3
340.92001	0.6
343.04596	1.1
447.09290	6.3
448.09421	0.6
453.88498	0.6
459.15106	63.0
460.15372	3.1
462.08029	19.2
462.14590	0.8
463.08862	7.5
464.08740	0.5
464.33405	0.7
609.14594	100.0
610.14722	8.5
687.94678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	12.0
83.01273	1.8
83.70812	0.2
84.02036	0.3
85.02830	11.1
85.03355	0.5
87.00757	3.3
89.02321	1.7
92.07244	0.2
93.03365	0.2
95.01281	1.2
97.02853	1.1
99.00759	4.3
101.02328	3.2
103.00251	0.4
109.02830	0.3
111.00756	0.6
113.02335	12.4
115.00253	0.9
116.01103	0.3
117.01825	0.7
119.03362	0.3
129.01805	0.7
131.03406	2.3
134.15053	0.2
149.04491	0.3
157.01352	0.3
173.04474	3.7
175.02452	1.1
186.85980	0.2
191.05540	0.7
193.03510	0.4
215.05507	0.2
227.03531	0.2
235.04478	0.6
255.02937	0.6
271.02499	1.2
295.34818	0.2
296.44513	0.3
300.02716	1.8
301.03525	0.8
433.07614	1.2
511.41525	0.2
589.25012	100.0
590.25397	6.6
671.02551	0.2
681.21704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	0.5
107.01286	1.4
108.02052	1.2
109.02824	0.6
118.98514	0.3
121.02832	0.8
121.79516	0.2
135.00740	0.6
138.03239	0.2
148.01552	0.8
150.99121	0.4
151.00278	4.5
153.01837	0.3
159.04424	0.3
160.01534	0.3
160.11588	0.3
163.00287	1.5
164.01071	0.5
165.01828	0.2
169.01337	0.6
178.99773	2.4
183.04468	0.4
187.03961	0.2
199.04059	0.5
201.01698	0.2
203.03418	0.3
211.03912	0.6
215.03438	0.5
216.04167	0.4
226.02650	1.3
227.03513	2.0
240.07986	0.4
243.02969	7.8
244.03415	0.4
245.04485	0.6
254.02235	1.9
255.02983	19.4
256.03427	0.9
267.06757	0.5
268.07327	1.5
271.02478	49.8
272.02972	3.3
273.04004	0.3
280.07394	0.4
283.02454	0.7
283.09705	1.1
284.06888	0.4
294.04874	0.3
296.06888	0.7
299.01965	1.3
299.09357	0.5
300.02753	81.9
301.03467	17.7
302.03754	0.5
308.06931	0.8
309.07666	0.6
311.09094	0.4
312.06561	1.2
322.08533	0.6
323.09186	1.4
324.06323	0.6
324.10065	0.8
327.08792	3.1
338.11368	0.5
339.08752	4.0
339.12396	0.6
340.09204	0.4
342.11060	3.4
343.04446	0.3
343.11722	0.3
343.37155	0.2
354.11105	1.7
357.13419	14.0
358.13779	1.0
369.13428	15.8
370.13730	0.8
387.14435	0.3
433.07751	100.0
434.08057	6.2
455.15140	0.3
591.26581	0.4
609.14673	0.5
642.84991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
82.78970	0.2
83.01269	0.4
83.04905	0.2
85.02824	0.5
85.88532	0.2
93.03342	2.5
95.01337	0.2
98.73126	0.2
107.01258	1.7
108.02060	0.7
109.02866	1.0
111.04420	1.2
121.02836	1.0
124.01570	0.2
125.02350	0.2
125.08398	0.2
127.03894	0.2
131.57953	0.2
132.02119	0.2
133.02844	0.2
134.03615	1.9
135.00746	0.3
137.02324	0.5
148.01567	0.6
149.05992	0.4
151.00273	6.1
152.00771	0.2
153.01831	0.3
155.03403	1.4
159.04454	0.3
160.01582	0.9
161.02209	0.2
163.00287	1.6
164.00972	0.2
169.01328	0.8
173.04475	8.2
175.03920	0.9
178.99779	3.7
183.04475	0.4
191.05534	6.8
192.00478	0.3
193.04938	1.2
199.03931	0.4
203.03444	0.3
209.13873	0.2
211.03954	0.5
214.02676	0.2
215.03436	0.7
216.04257	0.3
226.02698	0.8
227.03447	1.6
229.01344	0.3
229.05086	0.5
233.06625	29.5
234.07013	0.9
243.02953	5.5
244.03540	0.4
245.04538	0.7
254.02200	1.3
255.02971	16.0
256.03348	0.8
271.02472	32.4
272.02951	2.4
273.04080	0.5
283.02463	0.8
299.02045	1.1
300.02744	64.0
301.03470	24.6
302.03885	1.5
343.04550	0.4
349.09262	4.3
350.09851	0.3
367.10254	0.7
409.11444	2.9
410.29568	0.2
447.09457	1.6
463.08792	0.2
547.36987	0.2
572.39941	0.2
609.14606	100.0
610.14972	9.8
699.42908	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.351
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03339	0.3
83.04893	0.6
85.02825	1.3
87.00754	0.3
93.03338	5.3
94.03720	0.1
99.04365	0.2
109.02840	0.3
111.00828	0.3
111.04411	2.9
113.02322	0.1
117.03349	1.1
119.04916	3.4
127.03894	0.7
129.01807	0.1
133.02873	0.3
134.03583	0.2
137.02359	1.2
145.02852	4.5
145.63951	0.1
151.00282	0.2
155.03403	3.2
163.03905	2.5
173.04477	20.6
174.04767	0.6
191.05547	12.7
192.05928	0.4
215.05554	0.2
233.06631	100.0
234.06967	3.5
255.02725	0.1
271.02502	0.6
283.02597	0.2
299.01950	0.5
300.02673	0.5
301.03421	0.2
315.05234	0.2
319.08221	10.9
320.08572	0.8
337.09250	1.6
379.10342	17.7
380.10706	1.4
411.51129	0.1
423.09021	0.2
477.10699	0.6
609.14563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00747	9.1
81.03329	4.6
83.01260	3.3
85.02834	11.0
87.00763	24.3
89.02316	29.6
95.01276	3.3
97.02820	8.1
99.00750	5.1
101.02340	29.6
103.19759	2.2
109.02805	2.9
113.02343	16.5
115.00256	10.0
116.92832	2.3
119.03381	8.4
121.02785	3.0
122.03622	4.2
125.02361	11.9
128.03401	3.0
135.02888	5.8
143.03430	4.3
146.11044	2.2
161.04449	7.0
167.14381	2.7
171.10170	5.4
175.00223	3.0
175.02402	14.0
177.12958	3.0
179.05518	7.9
183.13820	9.9
195.13820	3.7
196.65845	2.6
197.11731	7.9
209.11775	3.4
211.13356	85.2
213.14914	21.1
221.06465	3.0
221.11476	3.0
223.13313	6.2
233.11931	3.6
235.08180	10.4
235.13411	8.6
239.12892	3.0
241.14429	65.3
251.12927	11.8
253.14444	11.3
259.13382	8.5
260.22668	3.2
263.12866	5.9
265.21872	2.5
277.14294	4.5
277.21722	100.0
278.22162	3.9
291.19556	2.4
305.08484	5.4
309.20718	8.2
323.09875	4.0
330.83658	2.3
352.91132	2.7
379.12408	17.1
397.13495	76.1
397.18607	4.5
415.14575	15.7
483.34842	5.7
493.17480	2.3
591.26654	10.9
609.27490	8.4
621.27496	13.5
631.25879	3.0
639.29132	14.1
649.27002	3.1
657.34717	4.9
675.36224	7.0
835.29584	2.8
869.49304	7.9
881.48602	4.0
899.50146	55.3
909.49207	7.2
911.50183	9.9
921.47351	14.1
927.48969	5.8
935.50024	8.9
939.49225	13.6
943.49213	16.1
951.49817	7.1
983.48773	4.6
999.51837	10.0
1005.07922	3.3
1061.49829	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	1059.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
74.81791	0.7
75.00759	2.1
83.01269	3.1
83.04874	1.0
85.02827	3.8
86.38052	0.6
87.00761	15.1
89.02331	9.5
93.67583	0.5
95.01285	1.7
95.04902	0.6
96.99156	0.9
97.02829	2.8
99.00753	4.8
101.02330	11.1
110.69731	0.6
111.00770	1.6
112.98714	10.4
113.02342	7.3
114.99472	1.0
115.00273	20.0
119.03417	3.2
124.98697	3.5
125.02362	4.4
129.01826	0.9
135.02925	1.2
138.03119	0.7
142.99780	31.2
143.03389	1.9
145.01314	1.9
149.04704	0.6
156.00574	2.1
157.01353	1.6
161.04477	3.1
173.00865	7.9
174.01646	16.6
174.03152	1.2
175.02417	34.2
179.05550	4.2
181.08734	0.7
183.13887	4.7
193.12340	1.3
195.13870	6.7
196.14400	0.7
205.12376	1.4
207.13881	1.1
211.13362	62.2
212.13721	2.8
217.12065	0.6
219.13844	0.8
221.06566	1.4
223.13396	7.1
225.14848	1.4
233.11884	1.7
235.08202	4.0
235.13403	1.3
237.11311	0.8
237.15002	1.2
239.12903	1.6
245.11891	1.5
249.11290	0.9
251.12990	1.4
253.09358	0.8
256.13312	1.0
263.07703	0.8
263.12888	4.9
275.20132	4.6
287.07788	0.8
293.21265	100.0
294.21555	4.6
305.08728	1.8
323.09915	2.1
329.15588	0.7
379.12317	3.9
397.13538	45.0
398.13812	2.1
415.14612	12.9
416.14868	0.8
487.33969	1.9
591.26642	5.2
609.27734	16.1
610.28101	1.4
649.27155	1.1
661.27972	1.1
673.34515	5.0
674.34735	0.7
691.35547	4.0
885.48468	4.3
886.50299	1.4
913.48804	1.4
923.46375	3.4
925.47357	1.2
937.47308	2.3
941.47363	14.2
942.48340	2.2
953.47174	0.9
955.49689	3.1
959.48358	3.4
967.48871	0.8
969.47009	0.8
979.48645	2.3
981.46893	10.6
999.48004	6.2
1000.48065	1.2
1011.49341	1.0
1023.48816	2.3
1029.48523	1.2
1041.49194	7.8
1042.50037	1.6
1059.49719	5.5
1060.51050	1.0
1080.19653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	46.7
78.95785	2.2
82.08703	1.0
83.01247	2.3
85.02807	3.1
87.00763	6.3
89.02316	12.8
90.25020	1.1
97.02816	2.0
99.00749	2.4
101.02338	6.9
111.00810	0.9
112.27552	1.0
112.98667	1.5
113.02340	4.6
113.47092	1.0
115.00241	4.6
117.01841	2.4
119.03346	1.9
125.02334	4.2
135.02890	100.0
143.03427	1.6
161.04482	1.4
175.02423	5.3
179.05568	1.6
183.13829	3.1
209.11647	5.3
211.13339	45.0
223.13298	1.4
235.08148	2.4
247.09695	1.7
259.34305	1.1
277.18613	1.5
277.21725	31.8
278.22147	2.1
296.45029	1.3
305.08749	1.6
348.49582	1.0
379.12537	7.0
397.13446	25.6
398.13538	1.3
415.14523	4.9
591.26489	4.1
609.27637	3.2
657.35748	1.5
675.35883	3.6
690.82672	1.3
869.49365	1.3
895.46991	1.3
897.46741	1.3
913.47919	2.5
923.46631	4.4
941.47644	6.6
942.48810	1.9
979.48932	1.3
1041.48669	5.7
1059.49463	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00749	43.8
78.95782	1.8
81.03346	0.8
83.01276	1.1
85.02832	2.0
87.00760	5.2
89.02319	11.2
95.01285	1.0
96.95888	0.6
97.02790	1.4
99.00753	1.6
101.02320	7.5
109.07765	0.6
113.02355	4.4
115.00262	4.5
117.01825	1.5
119.03387	2.3
125.02336	4.0
131.03459	0.9
131.52820	0.7
135.02895	100.0
136.03233	0.7
141.05838	0.5
143.03426	1.3
149.02376	0.6
152.99532	1.1
161.04480	2.4
175.02390	7.6
179.05571	2.8
183.13852	2.9
184.14328	0.6
186.76213	0.6
193.12299	1.4
209.11923	1.7
211.13341	46.6
212.13654	1.3
221.06705	0.9
227.12863	0.8
230.08554	0.7
235.08179	1.9
242.45651	0.6
247.09708	1.3
253.09125	0.8
265.10773	1.0
277.21741	24.6
278.22119	1.7
287.07706	1.0
289.18097	0.9
295.11859	1.0
305.08862	1.2
309.20770	1.5
310.21188	1.0
323.09946	0.7
379.12402	6.1
389.66882	0.6
397.13474	23.0
398.13602	1.4
415.14450	3.8
551.19080	1.0
591.26581	5.3
592.27802	0.7
609.27576	5.9
627.21228	2.7
657.34973	1.4
675.36121	1.2
869.49213	1.3
895.46869	1.4
913.48163	1.0
923.45782	4.1
941.47510	6.7
942.48138	1.0
1041.48682	4.2
1042.50732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	2.9
75.73201	0.9
81.03322	1.2
83.01273	2.7
85.02831	5.0
87.00756	16.8
88.53771	1.0
89.02316	10.1
93.03355	1.3
95.01296	1.0
96.95900	2.9
97.02837	2.3
99.00763	6.5
101.02340	11.9
111.00764	3.1
112.98707	10.8
113.02348	5.5
113.79246	1.0
115.00259	20.2
119.03390	2.8
121.02821	1.2
123.04448	1.2
124.98720	3.3
125.02349	5.1
136.04018	1.7
142.99774	31.5
143.03429	1.8
145.01285	1.7
151.03833	1.1
156.00574	2.0
157.01288	1.6
159.21745	1.0
161.04375	2.1
163.04005	0.9
173.00868	7.7
174.01619	14.1
175.02391	36.8
179.05562	4.9
183.13843	4.8
192.66722	1.0
195.13802	6.0
205.12149	1.4
210.11597	1.2
211.13342	67.0
212.13699	2.5
221.06560	2.7
223.13338	7.9
233.11736	1.9
235.08168	6.1
239.12825	1.1
249.15002	1.3
251.12883	2.0
253.09258	1.2
254.85152	1.0
263.12888	4.7
275.20206	4.4
291.19638	1.1
293.21240	100.0
294.21536	5.2
297.78357	0.9
300.02930	1.1
305.08762	2.0
317.21198	1.3
323.09711	1.1
379.12503	3.9
397.13510	42.6
398.13919	2.5
415.14554	16.0
591.26569	6.6
609.27698	15.1
661.27344	1.6
673.34119	5.5
691.35681	4.6
885.48383	3.7
913.46307	1.5
923.46198	4.9
937.48419	1.9
941.47357	14.9
955.49506	3.4
959.48486	3.5
979.48468	1.3
981.47015	11.8
982.47424	2.1
999.48181	5.1
1023.48193	4.0
1024.47986	1.3
1041.48450	7.4
1042.49841	1.5
1053.18420	1.3
1059.50513	5.1
1094.30896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.503
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00754	2.5
77.86452	0.6
79.50817	0.7
81.03331	0.9
83.01265	2.9
85.02859	3.4
85.83973	0.6
87.00759	13.9
89.02325	9.9
95.01281	1.3
96.95908	1.2
96.99210	0.8
97.02846	1.8
99.00778	5.9
101.02328	9.6
111.00766	1.7
111.04383	0.8
112.98708	9.5
113.02350	6.9
115.00267	16.2
119.03407	3.2
124.98695	3.2
125.02355	5.1
129.01871	0.7
131.03410	1.1
135.02873	1.1
137.02423	0.7
142.99771	29.0
143.03429	2.2
145.01312	1.2
156.00555	2.0
157.01305	1.6
161.04498	3.1
167.10625	0.7
171.10179	0.8
173.00838	7.1
174.01633	15.3
175.02420	32.5
179.05582	3.5
183.13864	4.0
193.12286	1.2
195.13860	5.9
196.14410	0.7
205.12343	1.4
205.16040	0.6
207.13698	1.0
211.13359	57.5
211.27516	0.6
212.13721	1.4
221.06535	1.9
223.13341	7.5
225.14848	0.7
233.11824	1.3
235.08171	4.5
235.13333	0.9
237.14902	1.0
239.12868	0.8
245.11855	1.5
251.12923	1.1
253.09178	0.9
256.13168	1.2
259.08121	0.9
263.12903	4.4
275.20157	5.3
287.07724	1.4
287.12939	0.7
291.19632	0.7
293.21259	100.0
294.21613	6.2
305.08792	1.2
323.09958	0.8
379.12396	4.1
397.13525	35.1
398.13806	1.8
415.14648	15.0
420.88962	0.7
487.34262	1.5
591.26501	3.9
609.27692	8.0
636.25824	1.0
649.27386	0.7
673.34625	4.7
674.35791	0.8
691.35547	5.7
848.40887	0.8
852.20825	0.9
878.08490	0.8
885.48779	3.5
913.47717	0.9
923.46515	2.8
925.48694	1.6
937.48755	2.1
941.47491	11.9
942.47516	1.3
953.48267	1.1
955.48938	2.4
959.49072	2.8
969.47565	0.9
971.50006	0.9
979.49017	1.6
981.47070	10.1
982.47510	2.1
999.48102	4.5
1011.48419	1.4
1023.47693	2.0
1041.49658	6.4
1042.49487	1.1
1059.51184	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	1057.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
73.09054	0.2
76.19135	0.2
77.41779	0.2
82.42869	0.2
83.01261	0.7
85.02815	0.3
89.02303	0.5
93.03328	0.3
95.84167	0.3
101.02325	0.3
101.83408	0.2
107.01274	1.7
108.02058	0.9
109.02829	0.9
121.02859	1.3
124.01536	0.3
125.02306	0.5
126.95181	0.2
135.00746	0.5
147.00751	0.2
148.01585	0.5
151.00278	6.8
151.01486	0.4
159.04337	0.3
163.00261	1.0
164.01089	0.4
167.04953	0.3
169.01375	0.5
173.04510	0.4
178.99791	3.7
183.04424	0.4
185.02185	0.3
187.03914	0.5
199.03996	0.4
211.03940	0.9
214.02676	0.6
215.03342	0.5
216.04292	0.4
223.09642	0.4
226.02647	0.9
227.03465	4.3
229.05052	0.5
233.06575	0.4
243.02951	6.0
244.03423	0.5
245.04510	0.7
254.02216	1.6
255.02972	19.2
256.03415	1.3
257.04532	0.3
259.02460	0.6
270.01599	0.6
271.02478	36.0
272.03015	2.6
273.03970	0.5
283.02484	0.8
284.03275	6.1
285.03967	1.6
287.01941	1.4
299.01968	1.3
300.02750	75.3
301.03473	30.1
302.03976	1.1
316.02206	7.1
317.02853	1.3
403.15915	0.4
414.68942	0.2
445.07516	0.2
462.07819	0.3
463.08817	100.0
464.09122	7.0
549.21942	0.7
589.25043	0.4
593.15106	8.8
593.24969	0.4
594.15894	1.2
890.56964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02835	0.4
74.62589	0.3
83.01237	1.1
85.02831	2.3
87.00751	0.7
89.02290	0.3
91.01761	0.3
93.03317	0.4
95.01296	0.5
99.00717	0.6
101.02322	0.5
107.01268	2.2
108.02033	1.2
108.72343	0.3
109.02827	1.2
113.02334	2.9
119.79757	0.3
121.02843	1.8
121.25309	0.3
123.69737	0.3
125.02348	0.6
131.95709	0.4
133.32051	0.3
135.00777	0.6
135.78709	0.4
148.01575	1.3
149.02327	0.4
150.99123	0.6
151.00284	8.8
152.01112	0.4
161.04477	0.4
163.00269	2.4
163.03758	0.3
164.01021	0.7
165.01717	0.4
169.01318	0.9
173.04466	1.0
175.03984	0.5
178.99786	4.6
183.04378	0.5
187.03934	0.5
189.01784	0.3
190.99741	0.4
193.01328	0.4
199.03883	0.4
201.01837	0.3
201.05537	0.4
203.03357	0.6
211.03926	1.0
215.03415	0.5
216.04219	0.4
223.09648	0.4
226.02629	1.2
227.03452	5.8
228.04089	0.5
229.04929	0.7
233.06586	0.6
243.02931	8.3
244.03555	0.8
245.04533	1.1
254.02272	2.1
255.02972	27.8
256.03326	1.3
271.02472	48.7
272.02954	4.0
273.04001	0.6
283.02524	1.1
284.03265	8.2
285.03995	1.6
299.02005	1.7
300.02740	83.6
301.03470	31.5
302.03967	1.6
316.02475	0.4
343.04837	0.3
403.16345	0.5
463.08820	100.0
464.09161	6.8
464.15427	0.2
479.08545	0.3
490.78214	0.3
549.21875	15.6
550.22131	1.0
589.24866	0.6
593.15057	7.9
593.29071	0.5
594.15485	0.7
714.12427	0.4
1041.82056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44775	1.4
59.01258	24.9
70.43715	3.0
70.44097	2.4
70.80444	1.3
72.99187	98.2
73.99513	2.8
75.00751	53.1
105.01826	100.0
106.02196	3.8
109.14735	1.6
121.86795	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	1055.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02818	0.5
81.03349	0.5
83.01239	0.7
85.02816	1.0
86.93208	0.4
89.02319	0.6
93.03336	0.8
95.01246	0.8
96.87866	0.5
98.20527	0.8
98.97832	0.4
101.02290	0.7
107.01250	1.5
108.02056	33.8
109.02858	10.6
113.02341	1.0
115.26796	0.5
116.94983	0.4
119.01285	1.0
121.02866	1.2
123.00777	1.0
125.02396	0.5
132.02148	0.5
133.02852	0.6
135.00766	1.6
135.04439	0.5
147.00768	0.8
148.01584	0.7
149.02333	2.9
150.03163	1.2
151.00275	1.4
151.03931	1.3
152.01067	36.0
153.01854	10.0
161.02339	0.5
161.04457	0.8
163.00287	1.0
163.03920	1.2
164.04706	1.8
165.01898	0.8
165.05429	0.7
167.03394	0.8
169.21443	0.5
175.00296	4.6
176.01076	7.7
178.99742	0.7
185.06001	1.2
187.03926	1.4
190.02652	13.0
191.03453	10.6
195.02844	0.6
196.88139	0.4
199.03899	1.0
205.04987	10.3
208.03716	0.6
209.04529	1.8
211.04024	1.8
211.63669	0.5
213.05492	0.8
223.06068	1.7
227.03468	14.6
228.03882	0.7
229.05055	5.3
239.03473	0.9
243.02934	1.3
255.02972	30.5
256.03500	3.6
257.04517	2.6
263.84741	0.5
271.02509	4.2
284.03271	37.5
285.04041	44.0
286.04419	2.6
299.01941	1.6
300.02710	6.5
301.03464	3.9
315.07193	8.5
353.08749	1.9
417.08398	4.7
447.09274	6.1
489.10413	58.6
490.10699	7.2
491.11374	0.6
503.19000	0.7
521.13007	100.0
522.13373	8.2
1054.36841	0.9
1055.34473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99187	17.4
73.02843	2.0
75.00759	3.5
78.44386	1.7
83.01256	7.3
84.70154	2.3
85.02828	6.4
87.00751	21.4
89.02325	12.8
93.04105	1.6
95.01263	2.5
97.02819	5.0
99.00764	11.6
101.02317	18.8
111.00749	3.7
112.98698	18.4
113.02346	11.0
113.03001	2.1
115.00259	21.4
117.33604	2.2
119.03400	4.5
124.98721	4.2
125.02368	7.9
129.01732	2.1
132.67355	1.9
135.02875	2.8
136.30165	1.6
142.99767	37.7
143.03328	2.4
161.04468	4.3
173.00830	10.3
174.01645	22.1
175.02420	41.0
179.05513	4.3
180.75211	1.8
183.13853	7.4
211.13350	100.0
212.13651	4.4
223.13367	5.2
235.08189	8.5
251.78040	1.7
263.12863	6.4
277.21774	3.0
283.26434	83.1
283.29575	4.1
284.26691	4.5
287.07861	2.6
305.08826	2.7
379.12439	15.2
397.13538	57.0
415.14670	9.6
591.26355	10.0
609.27856	5.7
611.75946	2.1
663.39557	7.6
681.40717	10.8
681.51099	2.2
875.54047	6.0
913.51221	3.0
931.52319	14.2
932.52551	3.0
945.55035	4.1
949.53949	5.2
969.53442	2.6
971.52570	13.9
989.52930	7.2
1031.54028	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	1049.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
73.68568	0.3
81.03342	0.5
83.01251	0.6
83.04909	0.5
85.02822	1.4
86.80458	0.3
87.00761	0.5
93.03337	5.3
107.01253	1.7
109.02835	0.5
111.04427	2.5
116.67406	0.3
116.76756	0.3
117.03372	1.6
119.04910	3.1
121.02822	1.3
127.03913	0.5
137.02316	1.2
139.03894	0.5
145.02867	4.6
151.00272	8.7
155.03406	3.4
163.00287	0.5
163.03902	3.3
169.01306	1.0
173.04477	26.7
174.04802	0.6
178.99777	4.5
183.03073	0.5
191.05544	13.3
192.05884	0.6
199.03911	0.7
227.03554	0.8
233.06627	100.0
234.06999	2.7
243.02823	2.1
255.02948	5.1
256.03366	0.4
271.02475	9.8
272.02972	0.6
273.03888	0.5
299.02014	4.0
300.02747	20.3
301.03519	26.7
302.03864	1.2
312.83453	0.4
316.02200	0.9
319.04636	0.3
319.08203	9.8
320.08725	0.7
335.10657	0.4
337.09338	1.5
367.32376	0.4
379.10324	13.8
380.10620	0.9
462.07910	1.4
463.08832	22.7
464.09097	0.9
508.08139	0.4
511.00739	0.4
616.42175	0.4
625.14136	24.4
626.14636	1.6
732.41754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.619
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99174	2.3
73.02820	0.5
75.00748	6.6
79.19694	0.1
83.01255	0.4
83.04891	0.2
84.02053	0.1
85.02825	9.7
87.00753	3.3
89.02327	1.9
93.03336	0.1
95.01270	2.1
97.02769	0.2
99.00760	4.0
101.00404	0.1
101.02313	0.5
103.00256	1.2
109.02848	0.1
111.00777	0.4
112.01582	0.2
113.02334	11.4
114.02632	0.2
115.00233	1.0
117.01820	1.1
121.02856	0.2
129.01874	0.9
131.03444	0.3
139.00259	0.2
142.99724	0.2
157.01346	0.2
175.02391	1.6
193.03502	0.1
205.07097	0.6
208.79105	0.1
208.81197	0.1
211.13281	0.4
212.13663	0.3
223.08241	0.3
229.58177	0.2
231.05011	0.1
249.06154	2.2
259.20770	0.2
267.07196	2.4
275.19983	0.2
277.21725	25.1
278.22128	1.6
279.23257	0.3
306.07697	0.2
347.77130	0.1
398.13681	0.2
467.26401	0.3
509.27686	0.7
527.28619	100.0
528.28986	7.0
528.37244	0.2
562.82135	0.1
668.83185	0.2
900.43317	0.2
1016.50879	0.2
1028.48804	0.2
1046.50012	2.5
1047.51563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
72.82358	0.5
74.02354	12.4
79.95627	0.7
81.04438	0.9
82.02869	1.6
84.04436	0.8
84.89435	0.6
85.02831	0.6
86.02358	5.1
86.98994	1.2
87.05527	2.1
90.00074	0.6
96.95905	0.6
97.03973	1.5
99.05518	8.5
101.02332	1.0
101.07099	1.0
102.05488	1.8
107.06058	0.6
109.02826	0.7
109.03963	2.1
109.07595	0.8
111.05508	1.0
112.03927	1.4
113.03425	1.1
113.42256	0.6
116.92672	0.7
121.02859	1.1
123.05573	1.0
124.03932	0.8
125.03424	1.4
126.01859	0.6
127.05038	2.5
128.03441	32.7
129.99603	0.6
135.05539	3.9
137.07141	0.6
141.06612	1.2
143.04536	39.6
144.04889	1.1
145.06078	1.9
146.04539	3.5
153.06610	2.1
160.00661	10.6
160.37697	0.6
166.09769	2.4
167.04573	3.5
167.08195	1.9
171.04062	1.0
171.07683	1.8
171.10162	0.7
175.00337	0.7
175.02434	0.6
177.03314	3.6
179.04562	8.2
181.06039	1.0
185.05652	2.2
192.07768	1.1
197.05661	0.9
209.11789	1.2
210.05595	0.6
210.08781	9.4
211.13371	1.3
254.07852	12.0
270.25449	0.6
272.08908	21.7
273.09213	1.3
288.06638	6.6
299.02026	0.7
304.06146	1.3
305.08783	0.9
306.07684	100.0
307.07935	4.9
309.20700	1.2
310.21011	0.7
332.09225	7.3
438.91647	0.6
454.84839	0.8
459.08026	0.6
527.45306	0.6
549.76007	0.7
690.76660	0.7
898.84961	0.7
900.45660	1.0
1046.50269	11.6
1047.50964	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	1043.5799
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99175	8.7
73.02824	5.6
83.01279	2.7
85.02817	6.4
87.00755	16.2
89.02312	24.1
91.08025	2.3
97.02828	7.4
98.20623	4.4
99.00746	5.3
101.02327	19.8
112.98684	10.8
113.02332	13.4
115.00263	20.5
119.03354	4.4
125.02337	12.1
142.99777	28.1
143.03368	5.5
161.04498	3.6
173.00818	7.0
174.01648	13.9
174.29799	2.7
175.02411	26.0
179.05479	7.8
183.13870	6.3
195.13773	6.0
197.11737	11.8
209.11716	4.6
211.13335	84.5
223.13292	7.5
230.32922	2.9
235.08156	5.6
263.13025	2.6
275.20309	4.6
276.54294	3.1
277.21725	54.9
287.07755	2.8
291.19702	17.4
293.21265	100.0
294.21667	5.1
309.20706	69.6
379.12418	10.3
397.13510	79.8
398.14020	3.2
415.14560	24.0
551.68475	3.0
585.42023	4.6
591.26691	9.6
657.34515	3.7
675.35864	3.9
689.34070	4.6
691.35077	7.6
707.34686	5.5
869.49469	3.3
925.47571	8.9
939.49524	3.9
943.49597	3.5
965.46985	10.9
966.48303	3.3
1025.50012	6.1
1043.48767	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	1043.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99189	14.1
73.02823	3.7
75.00745	2.8
78.95795	1.5
81.03368	1.0
83.01257	5.5
85.02821	6.3
87.00224	1.1
87.00756	18.9
89.02322	19.0
95.01262	1.9
96.95897	0.6
96.99213	0.8
97.02847	4.4
99.00117	0.9
99.00757	7.1
101.01691	1.4
101.02328	18.5
109.02782	0.8
111.00755	3.0
111.04407	0.8
111.08021	0.8
112.98702	14.7
113.02338	9.0
115.00266	21.9
119.03400	4.4
121.02832	0.7
124.98698	4.1
125.02336	8.7
129.01804	1.2
131.03384	1.5
133.05043	0.8
134.03680	0.8
134.69547	0.7
138.03102	0.7
139.00276	0.8
139.03966	0.8
140.98218	0.7
142.99770	40.4
143.03419	3.2
145.01334	2.7
149.04480	0.8
152.99492	1.6
156.00548	1.6
157.01303	2.3
161.04471	5.4
163.11150	0.8
165.12758	1.5
167.10619	1.0
171.10185	1.3
173.00829	9.0
174.01625	23.2
174.03148	1.2
175.02406	37.5
179.05559	5.4
183.13803	6.1
185.04634	0.7
193.12251	2.1
195.13861	1.4
197.11865	1.1
204.93135	0.8
205.12369	0.9
207.13835	1.0
209.11717	1.1
211.13348	100.0
212.13705	4.0
212.15422	0.7
217.07162	1.6
221.06628	2.6
223.13356	4.7
223.54054	0.7
233.11810	1.8
235.08200	6.7
235.13338	1.1
237.11310	1.0
237.15057	1.1
239.12761	1.4
245.11787	0.8
249.11459	1.0
251.12854	1.5
253.09317	1.6
263.12866	4.3
266.62958	0.7
275.20148	0.9
277.21738	69.7
278.22101	4.7
287.07773	2.6
291.19617	3.5
293.21255	11.1
305.08768	2.3
309.20709	11.7
320.88168	0.7
323.09921	1.8
370.68036	0.8
379.12442	14.9
397.13516	60.3
398.13846	2.8
415.14685	12.9
511.75403	0.8
573.12561	0.8
591.26709	10.2
609.27698	6.5
657.35492	3.4
675.36017	6.0
689.35046	1.1
707.35437	1.0
836.55463	0.8
869.49194	3.1
895.47437	1.0
897.48810	1.4
907.47272	3.1
921.48468	1.2
925.47876	14.0
926.48859	2.0
937.48511	1.9
939.49695	3.5
943.49164	3.7
955.48505	0.9
963.50195	1.9
965.47522	13.4
966.46466	1.3
983.48254	6.0
995.49060	1.0
1007.48773	2.2
1025.49890	7.8
1043.50537	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	1043.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99183	12.2
73.02816	2.9
75.00733	2.5
78.95798	1.4
80.99720	0.7
81.03342	1.1
83.01277	3.9
83.04901	0.9
85.02827	4.7
86.82005	0.5
87.00758	17.8
89.02324	14.0
95.01279	1.4
95.04913	0.7
96.99212	0.9
97.02837	3.6
98.20571	1.1
99.00764	6.8
99.04377	0.7
101.02332	16.4
101.03004	0.9
109.06518	0.6
111.00753	3.6
111.04422	0.6
112.98700	13.1
113.02341	8.0
115.00268	20.5
119.03394	3.9
121.02814	0.7
124.98725	4.8
125.02348	5.3
129.01849	0.6
131.03444	0.7
133.04955	0.7
135.02864	0.8
140.98163	0.6
141.01822	0.7
142.99776	35.0
143.03413	3.3
145.01328	1.9
151.03882	0.8
152.99484	0.7
156.00569	2.2
157.01344	1.1
161.04477	5.1
165.12727	0.7
173.00848	9.1
174.01631	20.7
174.03152	1.0
175.02415	34.7
176.02737	1.1
179.05554	4.5
183.13867	5.8
191.01846	0.5
193.12244	2.1
197.11743	0.7
197.15443	0.6
199.06004	0.7
203.14120	0.5
205.12309	0.7
207.13853	0.7
209.11787	0.5
211.13354	100.0
211.26582	0.5
212.13673	3.6
217.07100	0.8
219.13832	1.0
221.06592	1.7
221.11763	0.7
223.13344	4.3
225.14973	0.6
233.11766	1.8
235.08177	6.1
235.13318	1.2
237.11275	1.3
237.14935	1.8
239.12839	1.5
245.06639	0.6
245.11833	1.5
246.33185	0.6
249.11198	0.8
251.12921	1.8
253.09328	0.7
253.14539	1.0
259.08496	0.7
261.11304	1.3
263.07693	0.8
263.12927	5.0
263.60001	0.5
265.14316	0.6
271.02463	1.0
277.21741	60.2
278.22174	3.5
281.13913	0.6
287.07715	2.9
299.01880	0.6
300.02664	0.7
305.08890	1.8
323.09756	1.8
360.43970	0.6
379.12503	14.3
380.12991	0.8
397.13541	51.3
398.13824	2.3
415.14636	10.4
415.20010	1.1
591.26575	10.9
609.27637	10.4
647.25409	0.6
657.35126	3.4
675.36151	4.6
869.49628	2.8
897.48865	1.9
907.47015	2.8
909.48267	1.5
921.48560	1.9
925.48181	12.0
926.48615	1.9
935.48077	0.6
937.48822	1.5
939.49902	3.1
940.51288	0.9
943.48877	2.9
955.48633	1.0
963.48816	2.6
965.47681	10.3
966.47766	1.8
969.48926	1.0
981.49640	0.9
983.49500	4.7
984.48889	0.8
1007.49799	1.4
1013.48474	1.0
1025.49377	6.3
1026.50439	1.0
1043.50647	4.1
1044.50159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99182	11.9
73.02807	4.1
75.00751	2.6
78.95767	1.0
79.57650	0.8
81.03341	0.9
83.01252	3.8
83.04899	1.5
85.02832	6.2
87.00755	20.4
89.01817	1.6
89.02318	17.9
95.01306	2.1
95.04937	1.4
97.02811	4.0
99.00759	7.3
101.02323	17.1
107.64678	1.2
109.02802	1.4
111.00761	1.7
112.98693	14.2
113.02322	9.4
115.00261	22.1
119.03388	5.1
124.98700	4.7
125.02330	7.6
131.03386	1.3
135.02922	1.4
139.00290	0.9
139.03897	1.5
141.01854	1.4
142.99763	36.9
143.03409	2.2
145.01343	1.2
149.04393	1.3
150.00714	0.8
156.00517	1.4
159.03023	1.0
161.04477	5.0
173.00851	8.7
174.01619	19.4
175.02405	34.4
179.05551	5.5
179.14304	0.9
183.13831	7.9
185.11780	1.0
193.12224	1.7
195.13834	2.7
197.11740	3.1
209.11740	2.7
211.13341	100.0
212.13666	3.7
217.07091	1.1
221.06590	2.6
223.13402	4.5
225.11275	1.2
225.14903	1.2
231.69093	0.8
233.11696	2.6
235.08212	6.5
235.13297	1.4
249.11330	1.3
251.12810	1.1
253.09296	1.2
255.10210	0.8
258.74698	1.0
259.13702	1.0
263.12958	5.8
263.15277	1.1
275.20380	1.0
277.21725	65.4
278.22018	1.8
287.07700	2.6
291.19745	3.0
293.21210	16.6
298.72656	0.9
305.08771	3.0
307.11749	1.1
309.20703	10.4
316.79413	1.0
323.09818	2.0
364.25461	1.0
379.12527	13.6
380.12662	1.1
397.13513	55.6
398.13770	2.6
415.14581	14.8
591.26495	11.0
609.27759	9.0
649.26147	0.9
657.34973	3.5
665.99762	1.1
675.35773	4.5
687.38812	1.0
691.35504	1.3
869.49042	2.9
907.46539	3.0
909.48596	1.7
919.49023	1.0
921.48657	2.1
925.48322	13.6
926.49194	1.5
937.48358	1.1
939.49286	2.8
943.49530	3.3
951.49548	1.0
955.47351	1.3
963.49170	1.6
965.47650	11.1
966.47656	1.9
983.47711	5.3
1007.48547	2.5
1025.49670	7.6
1043.50110	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	1043.325
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01253	0.7
85.02817	0.7
93.03349	0.4
95.01259	0.2
98.19842	0.5
107.01283	1.6
108.02036	0.6
109.02845	0.8
109.52348	0.2
113.02335	0.6
121.02876	1.2
135.00804	0.5
148.01601	0.6
151.00291	7.6
159.04353	0.3
162.02885	0.2
163.00284	1.5
164.01059	0.4
169.01331	0.6
173.04500	0.5
177.01852	0.3
178.99800	4.0
183.10262	0.4
187.03882	0.4
190.99811	0.3
193.01456	0.3
195.04343	0.3
199.03954	0.4
202.38155	0.3
203.03448	0.3
211.03918	0.9
215.03493	0.5
216.04184	0.3
226.02664	0.6
227.03487	1.6
229.05019	0.6
233.06604	0.8
239.03581	0.4
243.02959	6.0
243.05138	0.2
244.03467	0.5
245.04535	0.9
249.06137	0.6
254.02219	1.1
255.02974	17.1
256.03403	0.7
267.07324	0.3
271.02481	35.1
272.03009	2.4
273.03992	0.8
283.02457	1.0
299.01984	1.0
300.02753	68.6
301.03491	27.8
302.03857	1.0
315.14325	0.5
316.14865	0.4
336.11667	0.2
343.04593	0.7
359.14972	0.3
433.17157	5.6
434.17709	0.4
447.09256	4.1
463.08890	0.5
607.12402	0.3
609.14606	100.0
610.14923	7.8
611.15283	0.4
641.12097	0.3
812.96167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99181	2.4
73.02831	2.2
75.00746	6.2
75.80891	0.2
81.03327	0.6
83.01254	0.9
83.04879	0.5
85.02828	10.3
87.00758	2.0
89.02318	2.4
93.03342	0.2
95.01276	1.6
97.02802	0.3
99.00757	4.1
99.04385	0.5
101.02323	1.9
103.00245	0.6
103.03893	1.0
109.02821	0.7
111.00764	0.3
113.02332	8.8
115.00230	1.0
117.01807	0.9
119.03351	0.4
121.10129	1.2
127.03871	0.4
129.01840	0.6
151.00235	0.6
151.47279	0.2
157.01311	0.3
165.09113	0.9
167.10728	1.5
175.02330	0.9
189.04010	0.3
205.07069	0.7
221.29176	0.2
222.33377	0.2
227.03322	0.2
231.05029	0.8
237.89571	0.2
243.02975	1.1
249.06137	6.9
255.03004	1.4
262.84009	0.2
267.07169	1.6
271.02460	4.0
284.03241	1.2
285.04022	1.8
300.02734	5.0
301.03479	1.2
329.15973	1.7
417.17587	0.4
463.08893	1.8
463.14893	0.3
519.21729	0.3
561.21710	0.4
579.14185	5.5
579.22888	100.0
580.13947	0.6
580.23206	6.1
909.62823	0.3
909.81714	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.231
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02834	0.4
93.03336	0.4
107.01273	0.9
108.02089	0.4
109.02827	0.8
121.02863	0.7
147.00795	0.4
151.00279	3.6
163.00305	1.2
165.01772	0.5
178.99812	1.7
197.94093	0.4
199.03973	1.1
211.03886	0.5
215.03436	0.8
216.04268	0.4
226.02737	1.1
227.03468	3.0
243.03001	6.9
254.02246	1.8
255.02982	10.3
256.03397	0.6
257.85028	0.5
270.01672	0.5
271.02487	48.7
272.02847	3.6
283.02621	0.8
284.03226	0.5
299.01978	52.3
300.02734	59.7
301.03387	11.2
302.03732	0.8
314.04349	1.2
315.01398	1.0
315.05103	19.0
316.05551	0.9
324.02988	0.5
373.27515	0.4
431.06329	0.6
432.06628	1.0
433.07745	25.8
434.08286	1.9
462.08182	0.7
463.08795	0.4
477.10425	1.3
491.90674	0.4
563.25177	0.4
594.12170	4.1
609.14612	100.0
610.14948	8.3
781.76868	0.4
1043.36414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01235	0.7
98.20637	1.0
107.01265	1.6
108.02036	2.1
113.02312	0.3
113.53401	0.3
121.02789	0.5
124.01534	0.4
135.00745	0.4
144.05402	0.4
148.01553	1.0
151.00279	4.4
163.00293	1.2
164.01086	0.5
169.01288	0.4
178.99811	2.3
187.03934	0.5
192.00525	0.5
199.03883	1.2
201.01799	0.5
211.03848	0.5
215.03409	0.4
216.04176	0.6
226.02606	1.8
227.03412	2.7
241.01436	0.4
243.02974	12.3
244.03554	1.0
245.04686	0.4
254.02211	2.6
255.02971	29.9
256.03363	1.5
271.02472	66.6
272.02951	4.7
299.02008	2.2
300.02740	100.0
301.03363	11.0
302.03650	0.4
310.01392	0.4
461.07361	0.4
463.08823	8.8
464.09073	0.7
570.53564	0.4
579.13574	98.2
580.13892	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	1041.253
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01267	0.5
85.02820	1.4
87.00776	0.3
91.01762	0.2
93.03358	0.3
99.00719	0.6
101.02293	0.3
107.01288	1.7
108.02062	1.5
109.02840	0.8
111.00763	0.5
113.02319	1.0
121.02890	1.3
125.02321	0.4
135.00784	0.7
148.01537	1.3
149.02405	0.5
150.03145	0.3
151.00278	5.6
152.00958	0.3
153.01839	0.3
162.90991	0.2
163.00305	1.3
163.03954	0.3
164.01094	0.4
165.01888	0.3
165.05428	0.2
169.01385	0.4
170.77525	0.2
175.03864	0.3
177.01982	0.2
178.99799	2.7
188.04797	0.3
192.00571	0.4
193.05005	0.4
198.03128	0.2
199.03947	0.8
211.03946	0.8
214.02652	0.2
215.03430	1.0
216.04294	0.5
226.02779	1.2
227.03471	2.2
229.04933	0.3
235.02528	0.3
241.01427	0.6
242.02069	0.4
243.02983	9.2
244.03543	0.6
245.04561	0.6
254.02219	1.9
255.02982	23.4
255.44576	0.3
256.03387	1.3
270.01617	0.5
271.02487	52.6
272.02936	4.1
273.03983	0.3
283.02530	0.5
292.19009	0.3
298.01181	0.8
299.01999	3.5
300.02759	100.0
301.03427	17.9
302.03778	0.9
303.03821	0.2
313.03519	0.5
345.06058	1.2
385.09631	0.4
387.72275	0.2
447.09360	23.4
448.09616	1.3
549.12787	0.5
591.12805	0.4
592.14050	0.5
593.15143	95.1
593.27948	7.6
594.15527	8.1
831.48425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	0.9
98.19717	0.8
102.51395	0.5
107.01269	3.9
108.02054	1.0
109.02871	3.0
109.03574	0.6
121.02840	3.0
131.26317	0.5
135.00758	0.6
139.03906	0.6
147.03249	0.5
148.01576	1.3
150.32428	0.5
151.00279	14.0
163.00253	4.8
164.01065	1.0
169.01372	1.3
174.03290	0.7
178.99776	8.1
183.04433	0.8
187.03961	0.7
199.03961	1.3
200.56859	0.5
201.05496	1.1
211.03976	1.8
215.03406	0.7
216.04134	0.7
222.05101	0.8
226.02638	1.4
227.03505	5.0
229.05029	1.5
242.65974	0.5
243.02972	10.2
245.04498	2.3
254.02042	3.0
255.02977	28.8
256.03394	1.2
264.08142	0.6
269.08234	0.5
271.02478	63.2
272.02893	4.2
273.04059	1.5
281.08017	1.3
283.02515	2.2
293.08319	0.5
297.07687	2.8
299.01950	8.8
300.02747	88.4
301.03503	73.3
302.03995	2.7
309.07669	4.7
309.11313	1.9
312.10074	2.6
323.09317	0.9
324.09995	4.0
327.12363	12.6
328.12912	0.7
339.12366	11.5
340.12460	1.0
351.83417	0.7
378.03360	0.5
433.07742	100.0
434.07938	4.4
579.13373	1.2
605.07159	1.1
695.81970	0.6
1039.32983	4.4
1047.70007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99180	5.4
75.00753	54.1
79.95619	1.3
80.96397	4.2
83.01251	1.5
84.21650	1.1
85.02833	3.4
87.00758	7.3
89.02332	15.8
97.02840	2.6
98.20614	2.3
99.00792	1.6
101.02336	5.3
113.02332	5.8
115.00264	3.0
116.92763	2.9
117.01844	2.4
119.03373	1.8
125.02332	3.8
135.02901	100.0
136.03247	1.4
161.04494	1.3
175.02411	6.5
179.05518	3.2
183.13823	2.1
186.66612	1.2
209.11761	2.7
211.13361	44.7
212.13737	2.0
221.06607	1.3
225.00694	1.5
235.08174	2.6
246.68056	1.1
255.23296	32.2
256.23734	2.7
287.07990	2.1
379.12506	6.7
397.13547	27.3
398.13794	1.7
415.14612	3.6
555.28558	6.8
591.26733	5.2
609.27313	2.4
635.36285	2.7
653.37244	4.5
847.50781	3.4
901.47583	5.4
919.48834	6.2
920.48676	1.5
931.50171	1.2
1019.50812	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	1033.6481
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99149	0.5
75.77623	0.4
87.00748	0.4
89.02314	0.6
101.02338	1.1
111.08064	1.1
113.02315	0.5
128.03430	0.6
142.88213	0.4
145.05043	0.5
156.41917	0.4
165.12709	0.5
168.70181	0.4
169.12164	0.5
179.10902	0.4
179.14348	1.0
183.13846	1.4
190.33742	0.4
193.12364	0.6
195.13849	8.1
196.14467	0.8
197.11792	3.6
205.12285	0.8
209.11790	1.2
211.13359	27.7
212.13704	1.2
223.13351	5.8
227.12804	0.8
228.13646	0.9
231.21019	0.5
235.08221	1.7
253.09259	3.2
256.13174	1.3
265.21832	0.8
275.20169	4.8
291.19659	5.2
292.19986	0.6
293.21246	100.0
294.21536	4.8
309.20731	11.2
369.20490	0.4
397.13330	0.5
447.22366	4.1
545.29675	1.0
663.01508	0.5
901.45703	0.8
1033.49475	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	1033.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02837	0.2
81.03346	0.4
83.01251	0.2
83.04895	0.9
85.02826	1.5
87.00757	0.5
93.03339	5.4
94.03680	0.2
99.00788	0.3
99.04430	0.1
99.76663	0.2
100.50763	0.1
103.00242	0.2
107.01277	0.6
108.02074	0.6
109.02875	0.4
111.00759	0.2
111.04415	3.3
112.04768	0.1
113.02323	0.4
117.03372	1.3
119.04925	3.4
121.02879	0.2
127.03914	0.5
135.00792	0.2
137.02347	1.1
141.35411	0.1
145.02861	3.9
148.01617	0.4
151.00299	1.8
155.03409	3.4
163.00206	0.3
163.02663	0.3
163.03941	2.7
164.01018	0.1
169.01291	0.3
171.02971	0.2
173.04482	24.2
174.04863	0.4
178.99803	1.0
190.36769	0.1
191.05556	13.7
192.00587	0.2
192.05956	0.4
199.03952	0.4
211.04007	0.3
215.03349	0.2
215.05569	0.2
216.04144	0.2
226.02681	0.6
227.03403	1.3
229.05142	0.1
233.06641	100.0
234.06989	3.2
243.02980	3.7
244.03427	0.3
254.02246	0.9
255.02985	9.2
256.03336	0.4
271.02493	23.5
272.02948	1.5
299.02179	0.8
300.02765	36.3
301.03354	3.9
319.08243	10.2
320.08524	0.6
336.49728	0.1
337.09280	1.8
379.10349	14.6
380.10947	0.7
565.21466	1.8
609.14636	36.1
610.14978	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	1033.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57534	0.3
71.57916	0.6
81.03322	0.5
83.04900	1.0
85.02820	1.5
85.06755	0.3
87.00762	0.8
93.03337	15.8
99.00771	0.3
99.04357	0.4
107.01260	0.9
108.02060	0.9
109.02816	0.9
111.00736	0.5
111.04414	3.5
121.02909	0.4
127.03876	0.5
133.02864	0.5
134.02766	0.3
134.03598	1.7
135.00784	0.4
137.02354	3.7
148.01591	0.9
151.00287	2.7
155.03429	3.4
160.01614	0.8
163.00250	0.6
164.00974	0.4
169.01344	0.4
173.04472	72.3
174.04791	1.4
175.03944	1.0
178.99695	2.1
191.05537	14.2
193.04956	1.1
199.03877	0.5
215.03383	0.5
216.04195	0.4
226.02690	0.7
227.03481	2.2
228.03836	0.4
233.06625	76.1
234.07018	2.1
243.02979	7.8
244.03513	0.6
254.02225	2.1
255.02960	20.2
256.03381	0.8
271.02478	47.4
272.02975	3.6
299.01990	1.7
300.02740	89.6
301.03204	6.4
316.01917	0.3
349.09293	4.4
367.10364	1.6
374.38052	0.3
409.11389	9.7
481.94836	0.3
546.20435	0.3
579.13538	100.0
580.13867	7.3
581.14526	0.4
1043.12683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03352	0.4
83.01269	0.5
83.04894	0.5
85.02821	0.9
87.00778	0.5
93.03332	13.4
98.20534	0.9
99.00764	0.4
107.01260	2.0
108.02067	0.9
109.02851	1.5
111.00742	0.6
111.04387	3.1
113.02336	0.7
119.04913	1.5
121.02837	1.2
135.00705	0.4
137.02339	4.0
145.02855	1.6
148.01593	0.6
151.00291	6.4
155.03409	3.9
163.00294	1.1
163.03908	1.2
164.01077	0.5
169.01266	0.6
173.04471	73.0
174.04823	1.7
178.99782	3.3
191.05550	6.7
211.03946	1.0
215.03488	0.4
226.02631	1.1
227.03398	1.1
233.06624	97.0
234.07005	2.1
239.03517	0.7
243.02939	5.2
245.04468	0.7
254.02205	1.4
255.02959	16.4
256.03452	0.7
267.07153	0.4
271.02469	34.1
272.02960	3.0
273.04047	0.9
283.02426	1.0
299.01968	1.1
300.02747	65.0
301.03473	25.2
302.03748	0.7
319.08231	3.6
337.09332	0.7
379.10355	22.1
380.10620	1.0
447.09451	1.0
609.14587	100.0
610.14935	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	1031.5821
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99177	1.1
73.02810	1.1
78.95770	1.0
79.95617	0.8
80.84576	0.3
81.03318	0.8
83.01261	1.0
83.04897	1.5
84.02051	2.1
84.04418	0.4
85.02834	2.9
87.00764	2.6
89.02322	9.0
92.04926	0.4
93.03347	0.6
95.01222	0.9
95.04897	1.2
96.95897	14.5
96.96824	0.8
97.02829	4.4
97.06477	5.2
99.00752	0.7
99.04379	0.6
99.92442	1.1
101.02322	7.7
102.05466	0.8
103.05000	1.5
109.02816	0.5
109.06481	0.5
111.08042	2.1
113.02341	4.4
116.92755	8.8
117.01819	0.6
117.92772	0.4
119.03403	2.5
119.08537	0.7
121.02840	0.4
123.04380	0.6
123.08060	0.5
125.02350	3.2
125.06019	0.4
125.09597	1.8
128.03397	1.2
131.03394	0.7
137.02419	0.4
137.09618	1.6
139.03946	0.5
141.08981	0.4
143.03381	1.2
145.06096	3.2
146.04503	1.7
149.13278	0.4
151.11186	0.7
153.12711	0.7
161.04474	1.8
163.11189	0.9
165.12779	2.7
167.10686	0.5
169.12292	1.1
171.10201	11.7
171.11646	0.8
172.10521	0.4
175.11150	0.5
179.05548	2.9
181.12157	0.5
183.13884	0.8
185.11755	0.8
193.12279	9.4
195.13837	0.5
197.11775	9.8
197.15454	0.4
199.13353	0.5
201.11298	0.8
209.11810	2.6
211.13338	4.0
221.06642	1.6
221.11853	1.1
223.13391	0.6
225.14929	13.9
226.15282	0.8
226.45386	0.4
227.12926	1.8
235.08150	2.8
243.15990	6.6
247.20601	1.8
253.09273	0.9
253.14441	1.1
263.07935	0.5
273.18640	0.9
287.07697	0.9
289.18011	0.5
291.19678	18.0
292.20074	0.8
305.08752	1.1
309.20715	43.9
310.21100	3.0
321.07840	0.4
323.09872	0.8
323.18649	0.5
323.22342	0.7
327.21707	0.7
333.20865	0.5
341.23331	100.0
342.23727	7.5
352.91742	0.4
357.22812	0.5
365.23569	0.5
379.12537	0.5
383.24402	0.4
397.13541	21.0
398.13992	1.3
415.14618	13.4
416.15097	0.9
613.16699	0.4
633.43628	4.8
634.44019	0.4
689.34216	0.4
707.34778	3.0
721.37195	2.2
739.37329	3.7
740.37006	0.4
1031.52576	1.4
1032.51233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57574	6.5
71.57962	12.0
74.03722	7.1
109.02874	9.8
116.92763	11.8
121.02850	35.2
165.95154	7.2
182.75804	7.5
189.05122	7.7
189.19899	7.1
204.02013	7.5
207.60051	8.6
209.04613	16.6
209.11713	15.2
211.13307	12.6
293.21225	26.8
294.21555	17.8
295.21844	8.2
309.20755	10.3
368.56516	8.8
884.43701	9.5
966.03265	10.0
1030.49731	100.0
1031.49341	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	1031.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36257	0.3
73.02831	0.3
74.98312	0.3
85.02824	0.8
85.17370	0.3
86.69371	0.3
89.02322	0.5
89.96548	0.3
93.03349	0.8
95.01243	0.3
96.95893	1.5
99.60034	0.3
101.02353	0.5
107.04925	0.4
108.02021	0.5
109.02846	2.8
110.27233	0.3
113.02300	0.8
117.17326	0.3
119.04936	0.4
121.02832	0.9
123.00780	1.4
123.04403	0.8
125.02296	0.6
125.69244	0.3
131.05005	0.3
135.00848	0.3
135.04431	0.7
136.01581	1.9
137.02354	25.8
138.03192	0.7
138.12170	0.3
139.00241	0.4
147.00800	0.7
148.01537	0.6
149.02356	1.8
150.03102	1.5
151.00294	6.8
151.03925	3.3
152.01004	0.9
152.04634	0.7
153.01833	0.7
153.05501	0.5
158.45659	0.4
159.04424	0.3
161.01089	0.4
161.02356	1.2
161.71562	0.3
162.03148	0.9
163.00323	0.3
163.03922	1.5
164.01080	2.5
164.04698	1.4
165.01855	100.0
165.05449	2.3
166.02629	15.6
166.06245	0.3
167.03491	1.9
175.03934	1.4
176.04774	0.8
177.01883	1.8
177.05510	1.2
178.00893	0.3
178.02585	0.9
179.03430	22.2
179.06920	1.9
180.04210	49.0
180.47380	0.3
181.04991	40.3
182.05334	1.3
184.03755	0.4
187.03976	0.7
188.07202	0.3
190.02678	0.9
191.03444	0.9
191.07048	0.4
192.04256	1.0
193.04932	1.3
194.05777	4.5
195.02957	2.9
195.06569	55.5
196.06906	2.0
204.04160	0.5
205.04971	2.4
207.06607	2.6
209.04643	0.3
209.08134	6.9
210.03378	0.6
210.05293	9.4
211.06000	1.1
219.06520	0.8
220.07338	1.5
225.07655	41.5
226.07932	1.4
241.05119	0.4
247.74164	0.3
254.69353	0.3
269.42511	0.3
299.05460	0.3
300.02667	0.4
341.10080	0.4
359.11252	0.9
372.12244	0.5
385.12646	0.4
387.10434	1.6
387.14734	1.2
399.14410	0.4
402.13251	1.3
403.14087	2.4
416.14661	2.0
417.15552	10.9
418.15686	0.7
451.16116	0.7
471.16647	0.4
491.21436	0.8
529.13306	0.4
547.15588	0.4
549.18329	0.5
565.16748	1.8
580.19696	0.6
581.19977	0.4
594.21112	4.9
595.21881	22.7
596.22211	2.8
613.22430	0.6
625.23108	2.3
642.23077	1.3
643.23926	12.2
644.24457	1.6
649.22961	0.9
697.25000	0.9
773.28265	8.1
774.28583	1.4
803.29346	1.5
821.30292	9.3
822.30365	1.5
833.30090	0.5
835.82190	0.4
851.31830	1.5
864.38025	0.3
869.32269	12.0
870.32697	2.3
999.38831	0.4
1031.37402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00778	1.1
74.02350	9.2
82.02859	1.3
86.02341	2.9
86.05974	0.9
86.98973	1.1
87.00729	0.6
87.05537	2.5
90.00069	0.6
95.02396	0.5
96.53490	0.4
97.03963	0.9
99.05526	6.7
101.02337	0.7
101.07064	1.4
102.05476	0.9
109.03959	1.7
111.05547	0.7
112.03952	0.7
113.02317	0.6
116.01628	1.2
123.05507	0.9
124.03887	0.5
125.03462	0.8
127.05001	1.8
128.03433	21.4
135.05475	2.2
139.05013	0.6
141.06583	1.7
143.04524	27.8
145.06078	1.4
146.04492	2.8
149.07114	0.8
153.06593	1.8
159.99429	0.8
160.00652	9.1
166.09785	1.2
167.04510	2.6
167.08183	1.5
170.03131	0.5
171.07671	0.4
171.10188	0.8
175.00119	0.5
177.03331	3.5
179.04530	5.9
181.06107	1.0
185.05612	1.1
197.05673	1.3
201.11234	0.8
209.11792	1.3
210.08803	5.8
211.13290	0.9
242.07887	1.3
254.07797	8.7
272.08899	16.1
277.21808	0.8
288.06613	6.6
289.18179	0.5
306.07657	100.0
307.08054	2.9
307.19217	0.7
341.23196	2.7
342.23633	0.9
346.84848	0.5
397.13620	1.5
511.68445	0.6
699.22626	0.5
872.79999	0.5
1030.50964	4.7
1031.50037	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	1030.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57761	0.4
72.00803	0.4
74.02343	8.8
78.95779	0.5
81.04455	0.5
82.02859	1.4
84.04417	0.7
85.02830	0.4
86.02346	3.5
86.05983	0.4
86.98971	0.9
87.05506	2.0
89.02361	0.5
90.00064	0.9
92.04961	0.4
95.02401	0.5
96.95856	0.7
97.03958	0.8
99.05519	8.2
101.02332	0.4
101.07082	1.7
102.05495	1.7
107.06039	0.4
109.03961	2.1
109.07587	0.5
111.05514	1.2
112.03928	0.6
113.03462	0.5
116.01638	0.8
116.92755	1.0
120.01079	0.4
123.05540	0.6
125.03455	1.3
127.05025	1.8
128.03426	24.3
129.03790	0.4
131.04544	0.3
135.05537	2.8
141.06593	2.3
143.04526	31.8
144.04829	0.7
145.06084	1.6
146.04494	3.0
149.07071	0.4
153.06625	2.3
157.04938	0.3
160.00658	10.1
166.09805	1.5
167.04549	2.9
167.08171	1.2
170.03206	0.6
171.04016	0.6
171.10115	0.5
172.13576	0.4
177.03333	3.5
179.04552	7.5
180.07753	0.5
181.06131	1.2
184.10815	0.6
185.05626	0.8
192.07709	0.9
194.83356	0.3
197.05634	0.7
197.11642	0.5
207.10201	0.4
208.72604	0.3
209.11757	1.6
210.08781	7.0
211.13316	0.6
228.09747	0.6
228.42088	0.3
236.06860	0.3
242.07814	0.5
254.07802	8.7
272.08884	16.2
273.09164	0.8
277.21704	1.0
288.06589	7.2
306.07651	100.0
307.07928	4.4
307.19138	0.4
341.23343	1.4
397.13361	0.8
1012.50562	0.5
1030.52783	2.9
1031.50891	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	1027.5855
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01265	17.1
72.99191	1.7
73.02824	2.3
81.03302	0.9
83.01254	2.1
83.04921	1.3
85.02825	5.1
87.00765	3.7
89.02323	10.4
95.01268	2.1
97.02844	7.5
97.06473	1.1
99.92480	1.7
101.02319	12.7
109.06551	0.9
113.02341	6.7
116.92767	7.4
119.03405	4.4
125.02332	6.1
137.09642	1.7
143.03398	2.9
145.12866	0.9
161.04448	2.9
163.11229	2.1
164.85493	1.0
165.12737	3.9
171.10120	5.4
179.05540	5.8
185.11627	0.9
209.11798	2.8
211.13383	2.9
221.06586	2.1
225.11382	1.2
227.12831	4.0
235.08182	6.2
247.20700	3.6
251.91005	1.1
253.09117	1.7
263.07700	0.9
273.18729	1.1
277.21725	44.9
278.21991	3.5
287.07703	2.6
291.19666	36.0
292.20074	3.0
305.08813	2.6
309.20721	100.0
310.21115	6.9
323.09955	1.0
360.31970	1.1
379.12402	5.7
397.08365	2.0
397.13516	36.3
398.13687	2.1
415.14645	9.7
416.14819	1.2
689.34058	2.2
707.35486	4.2
800.93457	1.0
926.70685	1.2
950.19678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5856
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	22.0
87.00760	9.2
89.02321	10.7
97.02853	11.2
101.02348	13.3
113.02350	6.8
119.03436	6.8
143.55367	4.9
168.81056	5.7
179.05612	6.8
197.52225	5.1
205.50388	4.7
209.11752	6.2
277.21747	40.8
289.51541	5.1
291.19656	30.0
298.46652	5.7
309.20734	100.0
310.21039	7.3
319.94507	5.8
347.95496	5.9
362.47690	5.6
397.13470	39.6
415.14496	17.5
949.52734	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	1027.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	15.1
72.99174	1.7
74.72591	1.3
78.55315	1.3
83.01272	3.9
85.02841	5.0
87.00777	3.6
88.76131	1.4
89.02330	13.8
89.22475	1.4
97.02851	3.2
99.92476	2.2
101.02331	13.5
111.08036	5.8
113.02362	7.5
116.92745	12.5
119.03394	3.0
124.29588	1.6
125.02322	6.1
125.09675	1.6
143.03424	1.6
151.11263	1.5
160.62331	1.6
161.04506	3.5
169.12247	4.4
171.10243	2.1
179.05508	4.1
197.11775	34.1
199.13351	2.1
211.13307	7.0
221.06609	1.6
227.12962	1.8
229.36328	1.5
235.08217	7.4
253.09332	1.5
263.20145	2.6
265.17978	1.8
277.21747	52.1
277.48056	1.6
278.22031	3.0
287.07846	1.8
291.19687	22.7
293.21298	2.6
303.74561	1.7
304.47864	1.3
305.08755	2.7
308.15863	1.5
309.20721	100.0
310.21021	5.9
323.09952	1.9
379.12524	3.9
397.13504	51.5
398.13870	3.1
415.14566	14.4
419.56482	1.5
495.01163	1.8
632.49670	1.7
651.99896	1.6
675.36121	2.9
689.33801	4.7
707.34991	2.9
752.22656	1.7
1056.41943	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	1027.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	12.2
72.99185	2.7
73.02819	1.5
75.00751	14.4
83.01265	2.2
85.02825	15.1
87.00763	3.0
93.03303	1.2
95.01270	1.5
98.19777	2.1
99.00757	5.3
101.02308	3.0
107.01260	2.9
108.02053	1.0
109.02836	1.3
113.02336	15.6
115.00279	1.4
121.02843	2.4
151.00278	6.6
154.31792	0.6
161.04474	1.5
163.00322	2.7
164.00970	0.9
165.01863	0.6
169.01381	0.9
173.19887	0.6
175.02312	1.2
178.99855	3.2
179.01100	0.6
183.04509	0.9
185.06032	0.9
187.03922	1.7
189.05472	0.6
196.05173	0.6
196.80031	0.6
199.03903	0.9
201.05620	1.1
211.03996	2.0
213.05440	1.0
226.02647	1.0
227.03467	12.6
227.05693	0.7
228.03748	0.7
229.05058	4.3
239.03375	1.2
240.04231	0.6
241.04991	0.8
243.02917	5.6
245.04620	0.7
254.02162	1.0
255.02974	35.2
256.03351	2.9
257.04547	3.7
271.02496	30.9
272.02930	2.2
283.02383	1.0
284.03268	28.0
285.04028	35.2
286.04318	1.8
299.02148	1.2
300.02747	55.1
301.03500	29.5
302.03778	1.8
323.70886	0.7
353.26642	0.6
433.07770	59.9
434.07996	4.5
445.20850	1.2
549.21912	100.0
550.22314	6.2
593.15143	67.0
594.15417	6.9
844.14160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02847	0.3
89.02253	0.4
107.01266	1.1
108.02052	1.0
109.02866	0.4
113.02357	0.4
116.89705	0.3
119.19458	0.3
121.19637	0.3
124.01536	0.4
148.01561	1.2
151.00290	3.1
160.48380	0.4
163.00322	0.4
174.73355	0.3
175.03893	0.4
178.99777	1.6
199.03951	0.6
211.03810	0.5
215.03540	0.5
226.02715	0.9
227.03468	1.7
243.02986	7.2
254.02171	1.0
255.02971	17.7
256.03351	1.0
271.02484	39.4
272.02963	2.3
284.03308	3.9
285.04062	6.9
299.02136	2.3
300.02750	82.3
301.03281	6.7
447.09366	4.7
579.13568	100.0
580.13806	8.4
725.89594	0.5
911.13470	0.4
1060.00391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	3.4
73.02830	0.7
75.00771	2.1
79.24733	0.6
80.96393	0.6
83.01286	0.8
85.02834	1.1
87.00782	1.0
88.98700	1.4
92.04935	7.0
93.05241	0.7
96.99212	0.9
99.00785	1.5
101.02365	1.2
107.01275	0.7
107.71375	0.6
109.02895	0.7
112.01553	0.7
113.02330	1.4
121.02898	1.0
122.14442	0.6
125.02374	1.2
131.03470	0.9
136.03940	6.2
137.02327	0.7
137.04390	0.6
141.23610	0.6
144.00545	0.7
151.00302	2.6
164.14381	1.5
175.74930	0.6
178.99812	1.6
189.73076	0.6
190.05060	1.3
191.05821	1.2
205.07365	5.6
206.15508	2.6
207.05280	0.8
209.11702	1.0
211.13213	0.8
211.72919	0.8
226.02682	2.7
227.03479	1.5
228.15189	0.6
230.08211	0.9
234.14969	1.9
234.42584	0.6
237.06462	2.2
243.02994	7.6
244.09764	3.6
254.02219	4.0
255.02921	2.6
260.20029	0.7
262.14447	10.2
271.02484	36.4
272.03079	3.5
278.21173	0.8
292.23038	0.9
300.02753	33.0
301.03494	8.4
304.22906	0.9
322.16589	21.0
323.17014	1.0
329.15811	1.0
333.58603	0.9
358.20193	13.0
359.20462	1.4
368.08905	0.9
376.21274	31.8
377.21710	2.4
397.13583	0.8
418.91754	0.7
426.26236	3.1
444.27554	12.9
445.27945	0.9
447.09332	34.3
448.09732	2.4
450.25003	34.9
451.25406	2.5
492.25958	0.9
510.27097	100.0
511.27518	6.7
515.16144	1.1
518.31244	16.1
519.31805	1.3
578.33362	84.1
579.33655	7.3
703.26044	2.3
1026.44385	4.1
1027.48108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	3.3
72.99195	1.0
73.02825	0.9
78.95738	0.8
83.01289	0.7
85.02828	1.7
88.98711	1.3
89.02327	1.4
91.06787	0.8
92.04953	2.4
93.67751	0.7
96.95876	0.8
96.99203	1.8
99.00771	1.6
101.02314	0.9
107.01254	0.7
107.60699	0.7
125.02356	1.5
136.03935	2.1
137.04353	0.9
150.48740	0.7
151.00253	2.1
163.00267	1.2
164.14354	1.4
178.99754	1.3
181.08687	0.8
183.10248	0.8
190.05006	1.0
191.05641	1.2
198.03162	0.9
204.06644	1.0
205.07428	6.4
206.15442	3.5
211.13522	0.9
226.02702	3.2
227.03448	2.2
230.08145	2.1
234.14996	2.9
237.06342	2.6
243.02966	8.4
244.09810	5.4
254.02208	3.9
255.02989	3.5
262.14511	10.2
263.14972	1.0
271.02512	38.2
272.03027	3.5
273.13895	1.1
274.21643	1.0
278.21198	1.3
299.02133	1.0
300.02780	36.6
301.03494	9.3
322.16611	24.5
329.16214	1.1
358.20218	14.1
368.08978	1.5
376.21332	35.6
377.21661	2.5
426.26538	2.8
436.23352	1.1
444.27689	14.6
445.27957	1.1
447.09335	35.9
448.09723	2.8
450.24982	36.5
451.25360	3.9
510.27130	100.0
511.27518	7.4
518.31250	19.1
519.31531	2.0
578.33380	83.0
579.33838	7.6
623.11298	0.8
703.26160	2.4
1026.44604	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	1025.5701
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01273	24.2
73.02820	5.6
81.03321	4.3
83.01257	7.7
85.02838	10.2
87.00751	6.5
89.02323	23.0
93.28693	3.2
97.02849	6.1
97.06445	5.2
101.02331	28.7
113.02318	13.6
116.92741	6.7
119.03438	6.5
125.02295	6.3
125.09606	5.7
143.03375	3.9
161.04471	5.6
163.11134	8.1
179.05563	6.4
180.08784	2.8
185.11584	4.9
191.14291	9.3
201.91953	3.0
209.11821	15.6
225.11349	4.7
235.08194	9.1
237.11565	3.6
245.19096	14.4
250.08221	3.6
277.21747	100.0
278.22037	6.5
289.18106	77.0
290.18369	3.4
305.08835	5.5
307.19150	79.6
308.19183	3.9
379.12405	7.2
397.13544	84.4
415.14587	17.0
491.67361	3.5
687.32343	4.5
952.64459	4.6
965.54370	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	1025.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	31.4
71.57378	6.0
81.03336	4.9
84.73866	3.6
87.00774	7.4
89.02328	22.4
101.02325	23.2
113.02324	8.6
116.89485	4.1
116.92759	5.4
119.03424	4.3
121.06492	3.9
125.02332	8.7
126.77556	3.8
151.11208	4.2
161.04483	6.8
179.05560	5.2
191.14365	9.2
209.11784	12.7
209.99651	4.1
223.13330	12.2
225.54079	4.2
235.08182	11.7
236.30882	4.0
245.19127	8.4
253.09155	6.0
271.16968	4.2
277.21704	88.0
278.22073	6.3
289.18118	100.0
290.18488	5.3
293.21280	14.1
307.19119	83.2
307.56995	4.2
379.12375	9.5
397.13474	70.8
415.14630	14.7
581.86414	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	1025.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	26.4
72.99197	1.5
73.02811	2.6
81.03346	2.9
83.01265	3.7
83.04913	1.6
85.02820	6.3
87.00772	6.4
89.02325	21.2
93.03320	1.1
95.01263	2.8
95.04899	1.4
97.02825	6.2
97.06468	3.8
99.00780	1.7
101.02335	19.4
111.04411	1.5
113.02343	12.2
115.07538	0.9
116.92772	1.4
119.03397	6.5
123.04391	2.8
123.08054	1.2
125.02330	8.6
125.09612	5.1
131.03462	1.0
135.08012	1.5
137.09656	4.5
141.12769	1.1
143.03387	3.3
149.04456	1.5
161.04459	4.6
163.11186	6.9
164.10391	0.9
165.09084	1.0
165.12750	2.0
167.80765	0.8
179.05518	7.3
181.12231	1.6
185.11774	6.9
191.14374	8.7
203.28090	1.0
207.10243	3.4
209.11784	17.9
211.13365	3.4
217.15918	2.5
221.06587	3.3
225.11319	3.5
227.59082	1.0
229.36740	1.1
229.38846	1.2
235.08191	8.2
237.11266	5.3
245.19093	18.8
253.09344	1.7
263.07855	1.0
263.20163	5.4
271.16989	2.7
277.21735	82.6
278.22034	4.9
281.21216	2.0
287.07709	2.1
289.18112	100.0
290.18393	6.1
305.08728	3.6
307.19168	88.4
308.19547	5.3
323.09775	2.0
331.19290	1.6
379.12427	6.9
380.13712	1.1
397.13504	60.8
398.13678	2.5
415.09125	1.5
415.14590	20.1
669.31030	1.1
687.32373	5.1
705.33423	3.9
965.54694	6.6
966.54883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00839	1.9
71.01252	32.5
72.99184	10.2
73.02814	6.4
75.00748	4.2
80.02536	0.9
81.03320	2.6
83.01247	3.9
83.04896	5.3
84.02023	1.5
85.02828	11.1
87.00759	14.0
87.04410	0.8
89.02323	17.8
95.01260	1.9
95.04935	1.1
96.99142	1.4
97.02810	3.4
99.00747	6.1
99.04402	1.1
100.03899	1.4
101.02333	17.2
103.03876	1.2
108.02082	1.1
109.02799	0.9
111.00768	2.0
111.04393	2.0
112.98688	7.5
113.02331	12.4
115.00267	18.6
119.03395	4.6
119.04877	1.0
119.08543	1.1
121.06451	0.9
123.00781	1.3
124.98694	3.1
125.02353	5.8
127.03873	1.4
129.01805	1.0
131.03384	3.2
134.03609	3.5
135.02902	1.2
142.99767	32.7
143.03387	3.2
145.01260	1.3
145.04930	0.9
149.02400	1.2
151.03920	1.0
156.00545	1.9
156.16655	0.8
157.01306	1.9
160.01584	3.7
161.04463	5.4
163.07497	1.1
163.11157	5.0
165.12732	3.7
167.10480	0.8
169.08542	1.2
173.00821	6.9
174.01611	18.0
175.02423	28.4
175.03893	2.4
177.05415	1.1
179.05531	4.2
181.08600	4.3
183.13841	17.7
191.05518	1.1
191.10684	1.5
193.04961	1.8
193.12271	1.9
209.11778	100.0
210.12137	4.2
211.13342	65.3
212.13737	2.5
221.06650	1.9
223.13319	2.2
225.11101	1.0
227.12863	12.5
233.11734	1.5
235.08174	6.0
237.11278	1.1
251.12851	1.3
253.09152	1.1
253.14456	1.1
263.12759	3.8
287.07672	1.2
301.16571	5.0
305.08801	1.8
315.14346	1.9
323.09814	1.6
329.16064	1.2
337.11310	2.4
345.15610	3.7
379.12360	10.0
397.13550	42.2
398.13760	2.2
415.14575	8.7
452.94238	0.9
584.42639	0.9
589.24738	5.7
591.26642	8.5
607.26166	7.2
608.26398	1.0
609.27631	9.1
706.68176	1.1
783.37817	2.4
801.38837	5.6
829.37952	1.1
839.37457	1.2
857.37921	3.4
871.40448	1.7
875.39008	6.2
876.39905	1.1
889.40790	2.4
907.40375	3.8
915.39014	1.6
925.43872	1.8
933.39838	2.7
947.41376	5.2
965.42664	2.4
1007.42804	5.6
1011.93597	1.1
1025.42993	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	1023.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	3.2
72.99174	0.7
76.73526	0.9
83.01254	2.2
85.02838	1.6
89.02312	1.0
93.03348	1.4
96.95908	1.9
99.00768	1.3
101.02307	2.2
107.01271	6.1
108.02086	1.7
109.02842	2.1
113.02318	1.3
115.00256	1.0
119.04919	3.7
121.02840	2.4
123.90408	0.7
125.02345	2.4
131.03386	1.0
133.02876	1.3
136.01616	1.1
137.02286	1.8
145.02855	2.9
147.00780	0.9
149.02353	1.4
150.03128	1.1
151.00284	19.7
151.03912	1.7
152.00948	1.0
153.01857	0.9
159.04483	1.0
160.01678	1.2
161.02333	1.1
161.04562	0.9
163.00299	2.1
163.03929	2.7
164.01067	1.1
165.01866	1.2
165.05473	1.1
166.02513	1.1
169.01328	2.3
171.04416	1.0
173.02454	1.0
175.03883	1.9
178.99777	7.4
180.04179	1.2
181.05025	0.9
183.04396	1.3
187.03949	1.5
190.02603	1.5
191.03461	1.5
193.05017	1.3
199.03978	6.1
201.01961	1.1
209.08153	1.1
211.03938	1.0
215.03363	2.3
226.02777	4.1
227.03482	5.7
229.04884	1.3
243.02937	9.7
246.85315	0.8
254.02171	3.8
255.03012	5.5
256.03586	1.2
271.02484	100.0
272.02847	9.2
273.03256	1.5
283.02371	1.0
284.03372	1.1
285.04083	1.8
299.01981	78.8
300.02716	58.1
301.03513	97.0
302.03815	10.0
303.04388	1.1
313.03320	1.9
342.03705	0.8
343.04779	1.9
343.08893	0.8
347.40485	1.0
378.19739	0.8
447.09103	4.1
448.09708	2.5
449.09583	1.5
463.08792	1.6
473.16461	1.4
505.09879	71.3
506.10205	5.8
519.72998	0.8
628.05127	0.9
697.19812	0.9
774.23950	3.5
775.24512	20.6
776.25183	2.8
798.26373	1.4
799.27039	2.6
817.25421	1.2
842.25403	1.8
843.25854	4.7
861.32391	1.4
914.30127	0.9
937.30859	1.6
979.30896	75.4
980.13263	1.5
980.31458	15.0
1023.31836	6.8
1055.49011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	3.2
72.99174	0.7
76.73526	0.9
83.01254	2.2
85.02838	1.6
89.02312	1.0
93.03348	1.4
96.95908	1.9
99.00768	1.3
101.02307	2.2
107.01271	6.1
108.02086	1.7
109.02842	2.1
113.02318	1.3
115.00256	1.0
119.04919	3.7
121.02840	2.4
123.90408	0.7
125.02345	2.4
131.03386	1.0
133.02876	1.3
136.01616	1.1
137.02286	1.8
145.02855	2.9
147.00780	0.9
149.02353	1.4
150.03128	1.1
151.00284	19.7
151.03912	1.7
152.00948	1.0
153.01857	0.9
159.04483	1.0
160.01678	1.2
161.02333	1.1
161.04562	0.9
163.00299	2.1
163.03929	2.7
164.01067	1.1
165.01866	1.2
165.05473	1.1
166.02513	1.1
169.01328	2.3
171.04416	1.0
173.02454	1.0
175.03883	1.9
178.99777	7.4
180.04179	1.2
181.05025	0.9
183.04396	1.3
187.03949	1.5
190.02603	1.5
191.03461	1.5
193.05017	1.3
199.03978	6.1
201.01961	1.1
209.08153	1.1
211.03938	1.0
215.03363	2.3
226.02777	4.1
227.03482	5.7
229.04884	1.3
243.02937	9.7
246.85315	0.8
254.02171	3.8
255.03012	5.5
256.03586	1.2
271.02484	100.0
272.02847	9.2
273.03256	1.5
283.02371	1.0
284.03372	1.1
285.04083	1.8
299.01981	78.8
300.02716	58.1
301.03513	97.0
302.03815	10.0
303.04388	1.1
313.03320	1.9
342.03705	0.8
343.04779	1.9
343.08893	0.8
347.40485	1.0
378.19739	0.8
447.09103	4.1
448.09708	2.5
449.09583	1.5
463.08792	1.6
473.16461	1.4
505.09879	71.3
506.10205	5.8
519.72998	0.8
628.05127	0.9
697.19812	0.9
774.23950	3.5
775.24512	20.6
776.25183	2.8
798.26373	1.4
799.27039	2.6
817.25421	1.2
842.25403	1.8
843.25854	4.7
861.32391	1.4
914.30127	0.9
937.30859	1.6
979.30896	75.4
980.13263	1.5
980.31458	15.0
1023.31836	6.8
1055.49011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	30.5
72.99185	12.3
73.02834	3.6
73.49946	0.6
75.00746	2.9
78.21525	0.6
78.95827	0.6
81.03362	1.5
83.01264	4.8
85.02828	5.9
87.00757	18.1
89.02326	15.5
95.01247	1.0
96.48077	0.6
97.02827	3.3
99.00758	7.9
101.02325	18.0
106.41852	0.6
110.34586	0.6
111.00770	3.1
111.04385	0.8
112.98698	13.3
113.02341	8.6
115.00266	22.1
119.03391	3.9
124.98720	4.6
125.02358	7.3
129.01855	1.2
129.29778	0.6
133.98340	0.6
140.98265	1.0
142.99777	35.0
143.03406	3.5
144.00087	0.7
145.01361	2.4
149.04413	0.7
156.00555	2.4
157.01367	2.3
161.04466	4.5
165.12738	0.8
167.14278	0.7
171.89912	0.7
173.00853	8.8
174.01634	21.1
174.03136	1.4
175.02408	35.7
179.05513	5.0
183.13846	5.5
193.12308	1.9
195.13741	0.8
207.08826	0.6
207.13622	0.9
211.13351	100.0
212.13712	3.7
217.07117	1.2
221.06560	1.9
223.13371	2.7
225.14836	0.7
233.11877	1.5
235.08226	6.5
235.13388	0.9
237.15013	1.6
245.11926	0.7
249.11137	0.7
251.12709	1.4
253.09378	1.7
255.23286	71.4
256.23654	2.6
259.08377	0.8
259.13138	0.8
262.39844	0.6
263.07813	0.7
263.12894	5.1
286.25903	0.6
287.07727	2.6
297.24255	0.6
305.08905	2.7
323.09814	2.4
379.12479	19.3
380.13065	0.9
397.13528	56.0
398.14038	2.7
415.14716	9.2
416.27002	0.7
507.76346	0.7
591.26648	11.5
592.26514	0.7
609.27484	5.7
635.36340	5.5
653.37653	10.6
847.50745	4.8
875.50623	1.8
885.48370	3.1
887.50159	1.4
899.50256	2.8
903.49738	13.6
904.50391	1.1
915.49695	1.3
917.51501	3.2
921.50586	3.1
941.50604	1.5
943.49207	12.8
943.66669	1.2
944.49615	1.4
961.49994	5.8
962.50732	0.9
985.50299	2.4
1003.51392	6.6
1004.51611	1.3
1021.52582	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	1021.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	34.7
71.15309	4.0
71.15656	2.2
72.99189	9.9
73.02837	3.6
75.00755	4.6
78.69103	1.8
78.95787	2.0
81.03342	2.0
83.01260	5.5
85.02829	4.1
87.00759	18.8
88.68231	1.7
89.02335	17.8
96.50314	2.0
97.02855	3.4
98.56473	1.6
99.00771	7.9
99.92488	4.1
100.92481	2.2
101.02335	17.6
111.00784	3.9
112.97596	1.6
112.98698	15.2
113.02354	11.0
115.00263	23.7
116.92757	28.6
117.92769	8.7
118.92588	4.3
119.03416	4.8
121.02867	2.0
124.93641	1.9
124.98716	5.7
125.02337	8.6
142.98660	2.1
142.99780	42.2
156.00517	2.4
157.01419	1.9
161.04471	5.2
173.00893	8.8
174.01630	20.7
175.02406	40.2
179.05589	4.4
183.13847	4.6
195.25700	1.7
211.13361	100.0
212.13698	3.7
221.06596	1.9
223.13354	3.6
235.08237	6.3
241.14618	1.9
255.23308	75.9
256.23578	3.5
263.12891	5.1
287.07895	3.0
305.09039	3.7
379.12564	17.8
397.13559	64.9
415.14783	12.8
460.60022	1.9
591.26422	12.6
609.27734	7.5
635.36652	7.5
653.37616	10.8
847.50085	4.6
885.49060	3.6
903.49341	14.0
917.50562	4.6
943.49677	13.1
944.50031	3.1
955.48285	2.1
961.49792	5.4
1003.51404	7.2
1021.52454	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	1021.5231
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81396	3.4
71.01260	33.7
72.99190	14.3
73.02823	3.9
75.00785	2.6
83.01267	5.4
85.02832	6.9
86.73957	1.7
87.00761	20.1
89.02335	15.5
95.01254	4.3
97.02834	3.7
99.00769	8.7
101.02348	18.3
111.00780	3.9
112.98700	15.1
113.02342	9.9
115.00256	27.6
116.92731	7.8
117.92763	3.6
119.03437	5.9
124.98723	6.6
125.02331	9.4
142.99774	41.0
143.03406	4.1
145.01321	2.0
155.03362	2.1
157.01288	3.3
161.04488	5.7
173.00821	9.7
174.01619	20.4
175.02419	40.4
179.05534	6.5
183.13837	6.4
185.04488	2.4
186.74594	1.8
193.12160	1.9
209.11819	2.3
211.13356	100.0
212.13675	5.6
221.06544	3.0
223.13332	3.2
235.08199	6.8
255.23296	75.4
256.23596	2.8
263.12897	5.0
305.08661	2.2
344.23734	2.0
371.89587	1.9
379.12393	22.4
397.13535	62.9
398.13852	2.3
401.64600	1.7
415.14777	11.2
450.38541	1.7
457.06775	1.9
468.91263	1.6
526.53711	1.8
574.90472	2.6
591.26733	9.9
609.27747	7.3
635.36639	6.6
653.37469	11.3
847.50470	7.2
885.49054	3.1
899.49542	2.6
903.49524	13.8
904.50409	2.7
917.50751	3.0
921.50061	3.8
941.51282	2.3
943.49097	12.8
961.49908	6.8
1003.51013	5.2
1021.53040	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	1021.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	33.9
72.99192	13.4
73.02831	4.8
75.00745	2.5
83.01260	4.1
85.02846	5.9
87.00762	20.8
88.98699	1.7
89.02325	20.4
95.01283	3.0
96.95876	1.8
96.99212	1.9
97.02854	3.8
98.04805	1.3
98.20711	1.5
99.00188	1.6
99.00748	7.8
101.02341	16.9
111.00768	3.7
112.98697	15.0
113.02346	10.2
115.00272	22.8
116.92739	2.5
119.03413	4.9
124.98709	4.7
125.02342	6.9
142.99779	41.3
143.03403	3.8
145.01331	2.0
156.00574	1.8
157.01338	1.4
161.04495	5.5
173.00853	8.0
174.01656	23.2
175.02411	39.5
179.05490	6.8
183.13849	5.6
199.21814	1.4
211.13350	100.0
212.13681	3.1
216.72911	1.6
221.06709	2.3
223.13359	3.6
233.11717	1.8
235.08208	6.5
235.13382	2.1
249.11263	1.3
250.20358	1.4
255.23302	67.5
256.23645	2.5
257.02539	1.3
263.12930	4.4
281.24878	2.2
287.07718	2.3
305.08719	3.4
323.10092	1.8
379.12448	19.4
397.13568	55.6
398.13904	1.9
415.14490	10.3
453.84171	1.5
499.23230	1.7
591.26666	12.4
609.27960	7.6
635.36224	6.5
653.37531	9.8
760.64996	1.6
847.35828	1.5
847.50134	7.0
875.49860	1.7
885.47821	1.7
899.50208	2.1
903.49652	14.6
904.50897	2.3
917.51147	2.8
921.50537	2.9
941.49835	2.3
943.49310	10.3
944.48779	2.0
961.49194	6.6
985.49054	2.7
1003.51605	6.9
1021.52112	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	1021.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	3.9
79.65011	0.5
83.01256	2.2
85.02847	1.0
89.02306	1.6
93.03347	0.8
96.95907	0.6
101.02314	1.2
104.23823	0.5
107.01260	5.3
109.02860	1.4
113.02334	0.6
121.02859	1.9
125.02354	0.8
133.02872	0.6
137.02332	1.1
149.02328	0.9
151.00278	18.6
153.51416	0.6
161.02411	0.6
161.13284	0.7
163.00298	1.2
164.00984	0.8
165.01761	0.7
169.01352	1.7
171.04369	0.7
174.03123	0.6
175.00298	1.3
175.03926	1.0
178.99786	7.7
183.04202	0.5
187.03874	1.0
187.11237	1.0
199.03925	1.7
201.01904	0.6
201.05467	0.7
205.12250	0.8
208.97169	0.5
215.03465	1.4
226.02695	2.0
227.03479	3.1
229.05017	0.8
243.02968	5.7
254.02203	1.6
255.02971	5.3
257.04645	0.7
271.02472	43.2
272.02908	3.0
273.03867	0.9
283.02362	0.6
284.03278	2.2
285.03976	3.6
297.04117	0.6
299.01971	30.9
300.02734	40.5
301.03519	100.0
302.03925	3.9
313.03418	1.0
343.04514	0.8
417.08344	0.6
423.07831	0.5
447.09323	23.2
447.15546	1.2
448.09778	0.9
457.71582	0.6
462.07590	0.9
463.08911	1.0
573.22272	0.9
596.15906	0.6
609.14709	1.9
632.82251	0.6
650.20001	2.1
651.20819	6.8
652.20941	0.9
677.18555	1.5
695.19745	7.3
696.19751	0.7
797.26648	20.3
798.26959	2.7
823.25439	0.6
841.25531	35.3
842.25775	3.9
875.26410	6.8
1021.31915	37.3
1022.32361	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	1019.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	13.8
78.95773	7.2
83.01231	3.7
86.03433	3.4
87.00748	5.4
89.02323	10.4
96.95905	4.6
97.02837	4.8
97.61150	3.2
101.02334	13.0
107.15963	3.4
113.02323	4.2
113.96586	3.9
116.92743	15.0
119.03437	4.4
119.95941	2.9
134.22934	3.1
142.99750	3.0
152.99535	7.3
161.04448	3.7
171.10202	7.6
179.05531	6.0
183.13849	3.8
195.13890	3.6
197.11787	10.0
200.09840	3.6
209.11755	3.9
211.13387	13.8
223.13573	3.3
227.12820	4.9
229.47594	3.9
235.08258	5.2
253.21713	7.4
271.22739	5.3
291.19693	24.4
293.21237	99.9
294.21451	5.7
309.20685	100.0
310.20987	3.2
383.45834	3.4
397.13416	44.0
415.14499	28.3
489.95682	3.7
499.26730	5.3
500.26962	8.2
585.41553	7.0
609.26807	4.5
673.34668	4.3
689.33228	6.6
691.35065	7.4
707.35077	12.8
844.78424	3.5
983.55243	9.1
1019.53625	56.4
1020.53442	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	1017.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	1.9
81.03344	0.6
83.04899	0.5
85.02833	1.0
87.00757	0.5
93.03338	16.5
109.02833	0.5
111.00788	0.8
111.04410	3.6
117.03387	0.4
119.04924	0.9
120.10394	0.4
127.03923	0.5
137.02353	4.5
145.02823	1.3
155.03413	4.0
163.03986	1.2
173.04477	82.7
174.04805	1.7
191.03763	0.4
191.05534	7.7
233.06635	100.0
234.06973	2.5
255.03030	0.7
270.15787	0.3
284.03088	0.6
300.02682	0.7
301.03180	0.4
319.08160	3.9
337.09192	0.7
379.10339	19.8
380.10641	1.3
391.05103	0.3
463.08890	0.7
549.22272	0.4
593.14636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5643
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	10.6
71.01615	0.9
71.04871	0.5
71.37919	0.9
72.62669	0.6
72.82527	0.5
72.99193	1.5
73.02830	2.1
78.95782	1.1
80.78035	0.5
81.03355	0.7
83.01250	1.3
83.04918	1.1
84.02023	0.8
85.02821	8.5
87.00757	3.2
89.02321	9.3
92.04938	1.1
95.04890	0.9
96.95901	1.8
97.02831	3.4
97.06481	2.5
101.02322	9.0
104.23223	0.5
109.02850	0.7
111.04395	0.9
111.08055	2.2
113.02328	4.3
116.92769	0.7
119.03394	2.5
125.02367	3.7
125.09629	1.4
127.11195	1.4
136.03932	0.8
137.09627	2.3
143.03427	1.6
155.10663	0.9
161.04466	2.0
163.11218	1.1
163.85808	0.6
165.12750	1.8
167.10606	0.6
167.14261	0.9
169.12276	0.8
171.10187	20.4
172.10530	0.7
177.12811	1.1
179.05527	3.6
181.12192	1.0
183.13882	3.2
185.11752	1.6
193.12271	1.0
197.11757	10.0
198.80765	0.5
199.13289	1.4
201.11238	1.0
203.10555	0.8
209.11816	3.1
211.13345	14.7
212.13663	1.3
221.06711	1.3
221.11778	2.1
226.12003	0.5
227.12918	1.3
229.14432	8.8
235.08182	2.4
239.12907	2.0
247.20758	1.6
287.07761	0.7
291.19659	13.2
293.21185	1.0
305.08679	1.5
306.07953	0.7
309.20724	41.5
310.21106	2.2
327.21774	100.0
328.22067	5.0
339.08551	0.6
351.21747	0.7
397.13504	23.7
398.13821	1.0
415.14587	18.0
416.14978	0.7
488.88388	0.6
619.42340	4.3
695.45874	0.6
707.34729	8.6
725.35846	4.7
883.50604	0.7
891.91364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5865
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	11.2
71.58031	1.0
72.99189	1.3
73.02816	1.6
78.95778	0.8
81.03338	0.8
83.01273	1.5
83.04885	1.6
84.02035	1.2
85.02821	3.7
87.00755	3.2
89.02323	8.7
93.03329	0.5
93.93179	0.5
95.01266	1.4
96.95902	4.9
97.02836	2.0
97.06477	7.2
99.00755	2.3
99.04353	0.6
101.02332	7.8
111.04388	0.6
111.07995	0.8
113.02333	4.1
116.92765	0.8
119.03427	3.1
125.02343	3.7
125.09595	1.2
137.02284	0.5
143.03380	1.2
161.04483	1.7
165.12723	0.7
167.03470	0.7
171.10214	6.7
175.11298	0.6
179.05533	2.7
179.10710	0.7
179.14389	0.8
179.73625	0.6
185.04401	0.8
185.11807	0.6
193.12263	9.9
194.12593	0.7
195.13870	5.3
197.11700	1.6
200.00653	0.5
201.11107	0.5
207.10170	0.8
209.11801	2.3
210.12088	0.7
211.13370	5.0
221.06631	1.2
221.11842	1.1
223.13365	4.7
225.14922	14.5
227.12817	0.8
228.13673	0.7
235.08112	3.3
243.15944	6.2
253.09398	1.0
253.14439	1.6
275.20245	3.3
277.21725	1.5
289.18155	1.4
291.19656	3.3
293.21259	62.3
294.21503	4.1
305.08749	0.8
307.19116	2.2
309.20737	3.0
310.21143	0.6
322.23608	0.7
323.09634	0.7
323.22345	1.0
327.21677	2.2
341.23334	100.0
342.23761	6.0
379.12250	1.1
397.13522	21.8
398.13333	0.9
415.14627	17.2
416.14487	0.7
551.76733	0.6
617.44092	5.2
691.35046	1.2
721.36987	2.0
739.37952	4.3
771.80493	0.6
883.44366	0.7
1015.52228	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5491
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	34.1
71.58080	2.2
72.99183	1.9
73.02812	6.0
78.95791	2.3
81.03337	2.9
83.01235	3.8
83.04893	5.7
85.02820	9.9
87.00758	5.3
89.02329	23.2
95.01267	3.4
95.04932	2.5
96.95896	9.8
97.02819	5.4
97.06464	3.1
99.00747	3.4
99.04350	2.4
101.02313	22.8
103.41279	1.8
109.02787	2.8
109.06459	6.7
111.08051	6.2
113.02303	9.5
113.09579	2.8
116.92728	8.1
119.03382	5.8
121.02851	2.2
121.59361	1.9
125.02357	7.3
125.09630	4.7
127.07543	3.0
135.08043	3.6
137.02313	2.4
137.09631	2.3
141.01764	2.7
141.88953	1.8
143.03377	2.9
151.11172	2.4
153.09134	9.5
154.06041	2.3
161.04407	5.5
163.11185	6.0
165.12747	6.7
169.12329	3.4
171.10184	29.1
172.10597	2.3
178.09882	2.4
179.05595	9.0
181.12286	6.6
183.13811	5.0
185.11685	5.7
191.14250	2.3
197.11754	27.9
199.13379	2.4
206.39214	1.8
207.10320	2.1
209.09866	3.8
209.11769	42.9
210.12250	2.0
211.13310	24.7
221.06619	2.9
225.11224	2.6
227.12868	3.9
229.14363	3.3
235.08191	4.8
235.13374	3.1
239.12828	2.0
245.19102	4.9
247.20665	3.4
263.20200	3.9
274.40765	2.3
280.45505	2.0
289.18091	14.3
291.19662	32.1
292.19806	3.3
305.17923	2.1
307.15634	3.8
307.19168	60.8
308.19397	3.8
309.20712	100.0
310.20972	5.5
311.22195	4.2
325.20193	50.9
326.20645	2.5
327.21750	37.9
328.22293	2.6
379.12210	2.0
397.13470	39.0
415.14673	19.2
418.09045	2.3
447.40012	2.2
607.13647	1.9
607.25531	2.3
687.31909	6.2
705.33148	18.0
707.34955	9.3
723.34399	5.5
783.62122	2.0
855.43683	2.9
861.44916	3.0
928.47266	4.1
979.52209	3.1
983.53717	2.6
984.75531	2.3
997.53986	14.8
1015.54919	10.9
1016.53131	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	1015.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	39.8
71.58186	3.7
71.77720	2.3
72.99200	3.4
73.02825	5.8
81.03343	4.5
83.01255	3.9
83.04902	4.6
85.02832	15.1
87.00751	9.4
89.02317	30.5
95.01276	3.1
95.04907	2.5
96.95905	10.8
97.02840	10.7
97.06492	7.7
99.00753	3.0
101.02315	23.6
107.04904	2.6
109.06480	11.2
111.04405	4.1
111.08062	5.6
113.02315	16.7
116.92725	5.9
119.03386	8.8
123.04461	3.6
123.08039	2.5
125.02351	8.3
125.09639	5.7
128.69740	2.4
132.13840	2.6
135.08096	2.3
137.02385	2.4
137.09612	5.9
138.22095	2.2
143.03409	2.8
151.11171	4.1
153.09174	4.0
155.10710	2.8
161.04462	4.7
163.11188	6.8
165.12750	4.9
169.12233	4.9
170.49883	2.3
171.10176	37.5
179.05595	7.4
181.12251	5.4
183.10243	3.7
183.13826	9.2
185.11844	5.7
188.65039	2.3
191.14293	3.6
193.12259	3.6
197.11781	46.7
199.13315	4.0
201.11226	5.7
207.10190	3.3
209.11755	33.5
211.13329	41.6
221.06683	4.0
221.11780	4.7
225.11282	5.0
227.12914	7.5
229.14334	12.8
235.08168	5.6
245.19133	6.8
253.09184	4.1
271.16977	2.9
273.18973	2.5
281.21271	2.8
287.08105	3.0
289.18091	26.5
291.19644	36.2
292.20255	2.8
293.21304	3.3
295.53500	2.9
307.19138	46.6
309.20706	95.7
310.21002	5.4
323.09921	3.6
325.20193	90.9
326.20627	7.2
327.21756	100.0
328.22272	4.5
397.13516	56.8
398.14465	2.8
415.14557	38.4
617.40790	4.3
660.03375	3.1
687.31989	3.0
705.33319	9.1
707.34845	5.9
725.36444	3.3
963.09985	2.4
997.54010	8.4
1015.54376	10.7
1016.54291	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	1013.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	23.7
71.57874	0.7
71.58225	1.1
72.19350	0.6
72.99166	0.8
73.02822	3.0
74.01780	0.7
83.01249	1.8
85.02823	9.3
89.02318	10.7
95.01227	0.7
99.00780	2.4
101.02319	2.9
107.01262	1.4
108.02052	0.8
111.11452	0.7
113.02332	3.2
121.10121	5.9
131.03389	3.0
138.80777	0.7
151.00261	2.5
163.00305	1.0
165.09129	2.0
167.10707	1.7
178.99741	1.6
183.10197	1.4
199.03952	0.8
226.02631	1.1
227.03511	2.0
243.02969	7.1
254.02216	2.2
255.02959	22.0
256.03314	1.5
271.02478	42.8
272.03052	4.2
297.74771	0.8
299.02109	1.4
300.02756	89.8
301.03357	7.1
302.03317	1.1
315.14508	20.0
316.14816	0.8
372.28561	0.8
433.17133	100.0
434.17331	8.2
463.08701	1.6
464.08939	1.2
547.23828	2.9
548.24365	5.5
549.24646	2.9
579.13568	91.6
580.14008	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	1013.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	0.7
71.78513	0.3
83.01260	0.7
85.02817	0.7
91.01770	0.5
93.03312	0.3
98.19830	0.6
107.01269	2.0
108.02065	1.3
109.02840	1.2
120.78207	0.3
121.02855	1.4
124.01529	0.3
125.02316	0.4
137.02351	0.3
148.01608	1.0
150.64478	0.3
151.00278	7.3
163.00247	1.9
164.01024	0.3
169.01416	0.8
178.99773	3.9
199.03969	0.4
203.03423	0.6
211.03952	0.6
213.01932	0.4
215.03482	0.6
216.04172	0.6
226.02641	1.2
227.03464	2.5
229.04834	0.5
243.02959	6.8
244.03407	0.7
245.04518	0.9
254.02274	1.7
255.02962	19.9
256.03323	2.0
271.02475	44.5
272.02936	3.2
273.03976	0.9
283.02393	1.1
299.02002	1.8
299.05090	0.4
300.02740	76.2
301.03467	30.3
302.03766	1.6
329.15533	0.3
360.43552	0.3
395.44418	0.3
463.09036	2.9
505.09879	100.0
506.03030	0.7
506.10199	10.4
507.10507	0.8
521.09540	0.8
569.78387	0.4
579.13568	1.0
579.22955	1.7
699.93951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1012.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02831	0.4
71.01257	2.8
71.57310	0.4
72.99174	0.6
74.02347	9.5
75.00758	1.8
80.47149	0.3
81.04453	0.7
82.02864	0.8
83.01257	0.4
84.04429	0.4
85.02821	2.6
85.03944	0.3
86.02347	2.5
86.05995	0.6
86.98978	0.9
87.00751	1.1
87.05519	1.7
89.02318	0.9
90.00073	1.0
93.03357	0.3
95.01257	0.4
95.02375	0.5
96.04402	0.4
96.95951	0.3
97.03957	0.8
99.00759	0.9
99.05515	6.8
101.02316	1.2
101.07083	1.0
102.05476	0.9
103.69671	0.3
107.06008	0.4
109.03951	1.4
109.07553	0.5
111.05498	0.6
112.03922	1.0
113.02325	1.9
115.00227	0.5
116.01653	0.9
119.04884	0.4
123.05540	0.7
124.03910	0.6
125.02397	0.4
125.03438	0.9
126.54989	0.3
127.05012	1.2
128.03432	22.9
129.03741	0.3
129.99500	0.2
131.03426	0.5
131.04507	0.4
133.44305	0.3
134.49075	0.3
135.05527	2.7
135.23331	0.3
137.07106	0.6
141.06624	2.4
142.99756	0.7
143.04529	27.5
144.01108	0.4
144.04849	0.8
145.05064	0.4
145.06064	2.1
146.04486	2.1
149.07111	0.5
150.03073	0.4
153.06577	1.9
160.00652	8.2
161.01001	0.3
163.03867	0.4
165.05461	0.3
166.09808	1.5
167.04536	2.0
167.08174	1.3
170.03239	0.4
171.03976	0.4
171.07722	0.3
173.04414	0.3
174.01610	0.4
175.02403	0.8
177.03326	3.3
179.03030	0.4
179.04558	6.6
181.06161	0.7
184.10892	0.3
185.05603	1.1
191.05527	0.5
192.07715	0.8
197.05620	0.9
201.11261	0.9
202.11699	0.3
205.72226	0.3
209.11850	1.9
210.08794	6.4
210.11990	0.4
211.13358	0.9
213.03351	0.3
227.12825	0.4
228.09883	0.4
236.06812	0.5
242.07771	0.8
254.07808	7.6
272.08887	14.7
273.09042	0.5
288.06604	6.1
306.07654	100.0
307.07941	3.5
321.58716	0.3
329.15866	0.4
361.12717	0.3
397.13452	0.4
491.21347	10.8
492.21738	2.5
962.42761	0.3
980.42834	0.7
994.44672	0.6
1012.45612	3.7
1013.45465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27200	0.8
71.01271	2.2
81.03345	3.4
83.01266	7.5
85.02851	0.8
89.02321	1.4
93.03333	3.1
95.01238	1.7
95.04890	3.4
96.95903	0.9
97.02840	8.3
97.06479	0.8
98.20644	1.5
101.02341	1.2
107.04939	1.6
108.02074	1.7
109.02845	29.0
109.03587	1.6
109.06490	1.2
113.02384	0.8
117.03284	0.8
121.02837	5.3
122.03616	1.2
123.04425	18.6
125.02348	18.7
125.09565	0.9
133.02831	1.8
133.06511	1.1
135.04399	4.3
137.01393	1.4
137.02357	22.2
139.03914	6.4
145.02899	1.5
145.06067	0.9
146.03625	2.2
146.04625	1.1
147.04428	1.2
149.02341	6.5
149.05864	0.7
151.03929	9.6
157.06439	0.7
159.04443	5.6
159.08101	0.8
160.05168	2.3
161.02376	4.9
161.04691	1.4
161.05975	9.6
162.03140	2.8
163.00316	2.4
163.03940	1.9
163.11224	1.1
164.01068	6.3
165.01871	6.6
167.03407	2.6
171.10216	1.7
172.23209	0.8
173.05994	1.2
174.03111	1.3
175.03922	6.5
175.07545	2.9
176.01022	1.7
177.01923	3.6
177.05542	1.6
178.02596	0.7
179.03415	8.8
183.04306	0.9
185.06023	2.8
187.03970	9.3
188.04716	5.8
197.11749	1.2
199.07582	1.0
201.05569	1.4
202.06256	3.0
203.03508	1.1
203.07092	23.0
204.07581	0.8
205.03200	0.6
205.05014	14.5
207.10173	1.4
209.11794	1.4
211.13367	1.3
212.04732	1.3
217.08636	1.1
221.08160	4.3
221.11766	1.0
223.13382	3.0
227.07104	3.8
229.68605	0.9
230.05762	1.3
231.02953	0.8
235.08133	0.8
245.08182	25.5
246.08534	0.9
247.06096	1.8
253.09247	1.2
259.13663	0.7
265.14456	0.9
271.06000	1.7
277.21915	3.8
289.07199	100.0
289.18036	1.9
290.07626	4.9
291.12299	0.8
291.19635	1.1
293.21179	3.3
307.18964	1.7
309.20703	3.3
310.39960	1.0
323.22391	3.6
397.13565	2.4
415.33496	0.8
423.39236	0.9
423.66205	0.8
497.18173	1.2
805.43707	1.6
859.44720	5.4
860.45221	1.3
967.47144	1.5
993.48676	5.6
1011.49670	71.3
1012.49957	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	1011.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	91.6
71.04917	3.5
72.99171	12.4
73.02827	37.6
75.00762	3.2
78.95773	3.2
81.03325	11.5
83.01266	13.4
83.04908	8.3
85.02831	55.6
87.00751	5.7
87.04403	3.8
89.02335	23.4
92.04951	3.9
95.01247	2.5
96.95897	4.5
98.19855	5.4
99.00757	12.0
99.04399	11.8
101.02338	29.5
103.03878	17.8
105.06986	2.3
108.02050	2.9
109.02856	10.0
111.04369	2.7
113.02329	4.0
119.03423	9.4
119.08563	48.4
121.02837	2.0
121.10130	33.9
126.03184	2.2
127.03892	12.3
133.06462	5.2
133.10103	1.9
139.39897	2.0
141.96075	2.2
143.08568	3.2
145.04947	10.5
146.53397	2.4
151.07588	3.3
161.09625	14.8
163.06056	9.7
163.07568	23.9
163.11215	3.6
165.09142	31.1
167.10698	8.0
175.07608	10.9
177.09068	3.8
179.10739	2.6
183.10181	4.4
202.20859	2.1
205.08694	9.4
207.10228	6.3
209.11815	4.4
211.13440	3.2
253.09421	2.5
297.13422	6.3
309.13379	6.1
311.15018	32.1
315.14529	6.3
327.14413	11.8
329.16080	77.0
330.16574	3.8
333.99490	2.2
353.16345	3.7
371.17218	9.5
463.23376	8.8
475.23267	14.9
477.24722	17.3
517.24139	4.0
519.25861	8.5
609.29523	12.2
621.29175	6.0
623.30658	31.1
627.30157	4.1
639.30371	7.5
641.32013	40.0
642.31775	3.2
769.38715	3.8
775.39404	10.8
776.39801	2.9
787.39117	59.8
787.53522	4.2
788.39679	8.4
829.40558	12.2
921.44904	100.0
922.45557	17.0
933.44830	81.3
934.45587	13.2
951.45715	13.3
952.46167	4.5
1011.48920	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	1011.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01251	0.8
91.01797	0.3
93.03323	0.4
104.50315	0.2
107.01286	3.1
108.02061	1.2
109.02835	2.2
119.01318	0.4
121.02853	2.4
125.02322	0.2
135.00798	0.8
147.09125	0.2
148.01576	0.9
149.02303	0.5
151.00273	11.9
152.00731	0.4
152.52985	0.2
159.04442	0.5
161.02325	0.3
163.00282	2.9
163.03819	0.2
164.01031	0.6
167.04793	0.2
169.01350	1.3
171.04503	0.4
178.99782	5.5
183.04422	0.7
185.51294	0.2
187.03957	0.5
190.99884	0.4
192.00642	0.4
193.01248	0.4
199.03915	0.6
201.05420	0.5
203.03479	0.4
211.03922	1.6
215.03398	0.5
216.04289	0.5
226.02632	0.9
227.03467	6.4
228.03897	0.4
229.05040	1.0
229.44203	0.4
239.03416	0.6
242.01862	0.2
243.02966	6.2
243.05333	0.4
244.03470	0.6
245.04552	1.7
254.02213	1.3
255.02963	29.0
256.03445	2.2
257.04593	0.3
271.02478	36.8
272.02914	2.9
273.03967	1.1
283.02457	1.7
284.03278	14.4
285.03937	2.5
299.02109	1.2
300.02744	69.0
301.03500	49.4
302.03900	2.9
342.66748	0.2
387.10788	0.3
390.94943	0.2
447.09305	100.0
448.09680	8.8
563.14099	19.2
563.23395	0.9
564.14508	2.0
664.22992	0.3
855.45642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57817	0.4
82.08474	0.3
83.01276	0.9
88.44733	0.3
91.01801	0.4
107.01254	2.5
108.02058	0.9
109.02837	1.8
119.01325	0.3
121.02848	1.8
135.00731	0.6
148.01558	1.1
148.02670	0.3
149.02315	0.4
151.00279	9.9
152.00685	0.5
153.01727	0.3
159.04378	0.5
163.00305	2.5
164.01024	0.3
169.01331	0.9
178.99774	5.2
183.04462	0.4
187.03880	0.5
190.99789	0.4
199.03873	0.5
201.05525	0.5
203.03510	0.3
211.03949	1.2
214.02449	0.3
215.03477	0.5
216.04128	0.6
226.02696	0.6
227.03464	5.5
228.04056	0.4
229.05049	1.0
239.03445	0.4
243.02966	5.2
244.03403	0.5
245.04646	1.5
254.02139	1.3
255.02975	21.4
256.03470	1.0
257.04456	0.3
271.02478	30.4
272.02963	2.6
273.03979	1.2
283.02423	1.3
284.03256	12.3
285.03745	1.2
299.02072	1.5
300.02747	58.8
301.03503	42.5
302.03949	2.0
326.90073	0.3
446.08310	0.3
447.09311	100.0
448.09680	7.1
488.40927	0.3
535.10742	0.3
563.14087	18.4
563.26904	2.1
564.14343	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	101.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	49.7
57.03316	38.8
58.00480	7.0
59.01252	73.8
68.99680	8.3
71.01245	39.7
71.56525	9.5
72.99166	7.9
73.02824	78.9
83.01245	9.7
84.04411	7.3
85.99976	30.7
100.94496	100.0
100.95139	11.1
101.02317	52.3
102.05480	45.2
113.05058	5.2
113.17462	4.5
113.21873	5.7
115.91972	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	1010.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	58.1
71.57175	2.0
72.01601	2.5
72.99179	10.2
73.02831	12.8
73.78355	1.4
75.00758	3.2
81.03331	4.2
82.02871	2.4
83.01260	13.6
83.04887	1.8
85.02823	21.7
87.00758	18.9
89.02313	27.8
95.54414	1.3
97.02845	4.6
97.71101	1.4
99.00760	8.9
99.04377	3.4
100.03927	36.2
101.02324	24.9
103.03933	1.9
108.02068	2.4
109.02841	2.2
110.02394	4.7
111.00807	2.6
111.04394	2.9
112.03941	7.1
112.98733	4.6
113.02340	11.4
115.00317	10.2
115.03881	2.4
115.48932	1.8
119.03455	4.7
119.08559	2.2
121.10148	1.9
124.03956	3.4
125.02386	8.4
125.09639	2.5
127.03912	6.0
129.01857	2.1
131.03372	11.0
134.03699	2.6
136.04062	1.6
137.02359	2.0
138.03052	1.6
140.03503	2.7
142.05016	4.1
142.99747	13.9
143.03377	3.6
144.00121	1.6
145.04962	9.8
145.25516	1.8
148.71536	1.6
149.04506	4.4
159.61919	1.8
160.01596	2.4
161.04483	2.7
163.06061	3.8
163.07571	2.6
163.29553	1.5
165.09111	2.1
166.05075	2.8
169.08644	2.0
174.01718	8.0
175.02466	16.7
175.03873	2.1
179.05658	2.5
179.14445	1.6
181.08643	16.9
182.08942	2.2
183.10225	2.6
183.13768	4.1
191.05536	5.8
193.05023	1.9
199.09773	1.7
202.07060	10.1
205.07117	3.6
209.11847	3.8
211.13364	50.1
212.13695	19.4
263.12924	2.5
315.14481	5.8
316.14960	1.5
329.16043	10.1
337.11447	5.9
348.13092	3.9
379.12207	2.6
397.13409	10.5
398.13892	4.0
407.88516	1.7
415.14709	1.9
591.26758	4.6
592.27289	7.5
596.38995	1.8
609.27478	5.0
610.28064	5.7
672.41498	2.8
786.39929	2.3
804.41266	6.1
818.46991	42.6
819.47656	8.1
932.41620	4.4
950.51294	100.0
951.51617	19.9
992.43683	2.9
1011.45905	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	1009.611
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	0.5
72.99152	0.2
75.00753	0.3
78.95789	0.3
83.04877	0.3
83.73557	0.2
91.07685	0.2
93.03362	0.3
93.58810	0.2
95.04922	0.2
96.95900	0.2
97.02874	0.5
97.06469	1.2
111.08051	0.5
113.09587	1.3
115.07536	1.0
115.10290	0.2
123.08068	0.3
124.28987	0.2
125.05975	0.6
125.09584	0.3
127.07550	0.2
137.63664	0.3
139.11189	0.7
141.09128	1.2
151.11194	0.5
153.12729	0.4
163.11192	0.4
165.12772	2.8
167.10600	0.4
167.14374	1.4
171.10217	2.1
175.11284	0.2
177.12621	0.3
181.12283	2.5
183.13875	0.9
193.12187	1.1
193.15958	0.4
195.13858	1.7
197.11717	0.3
209.11784	0.5
211.13342	3.0
213.14857	0.6
221.15382	1.0
229.14471	0.7
239.12802	0.3
240.13603	0.9
241.14542	0.3
247.20650	2.9
263.20175	0.6
265.21735	0.6
273.18634	2.4
274.18991	0.3
281.21164	1.3
291.19675	24.6
292.19995	1.7
309.20718	100.0
310.21075	6.2
466.71216	0.3
477.73575	0.3
535.99115	0.3
1009.48199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	25.6
71.58030	1.4
71.58472	1.3
72.99169	8.0
73.02834	5.0
75.00761	2.4
77.03389	0.9
81.03331	1.5
81.50320	0.8
83.01265	2.8
85.02837	7.0
87.00755	12.4
89.02320	11.9
89.02839	1.2
95.01276	2.4
96.95889	1.4
97.02837	3.0
99.00764	4.9
101.02325	12.9
103.03912	2.0
109.02838	1.3
111.00792	1.6
111.04385	1.4
112.98695	5.9
113.02339	8.7
115.00275	13.1
115.03944	1.7
119.03410	2.8
121.02894	1.1
121.10081	1.7
124.98706	2.6
125.02334	4.1
127.03905	1.0
131.03424	3.9
139.00340	1.0
142.99777	20.0
143.03412	4.0
145.01350	2.4
145.04988	3.0
149.04439	2.0
156.00505	1.6
157.01323	1.6
161.04503	3.0
165.09120	1.3
173.00844	4.1
174.01630	14.4
175.02399	22.7
175.03816	1.4
179.05524	2.7
181.08601	2.0
183.10249	3.1
183.13814	7.8
191.05547	1.6
193.12268	1.9
205.06961	1.0
209.11826	1.0
211.13342	100.0
212.13678	3.1
217.07295	1.1
223.13327	1.7
225.15013	1.1
235.08224	3.0
237.11337	1.2
263.13007	1.5
265.14435	1.0
287.07846	0.9
305.08990	1.2
323.09622	2.2
329.16061	8.3
337.11392	3.8
379.12595	5.1
397.13513	22.6
415.14575	3.9
591.26465	15.5
592.27435	1.7
609.27600	14.3
610.27332	1.1
785.39819	6.5
803.40192	7.1
804.41315	1.4
841.39740	1.4
855.40271	2.1
859.39606	3.2
873.41571	2.1
891.42456	3.9
897.42657	1.5
909.43604	1.9
917.40002	1.4
931.42450	5.2
949.43439	2.1
991.43353	3.3
1009.44806	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	1007.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	16.5
72.99181	6.3
73.02820	3.5
75.00742	2.6
75.61897	0.8
81.03363	0.8
83.01261	4.0
83.04895	1.1
85.02832	5.6
87.00757	15.1
88.98710	1.3
89.02316	6.7
93.03327	1.5
95.01235	0.9
95.04917	1.0
96.95869	1.4
97.02840	2.4
98.19839	2.5
99.00770	3.9
99.04412	1.1
100.03926	1.0
101.02328	8.0
108.02052	1.6
109.02815	1.2
109.06493	1.4
111.00745	2.5
111.04397	1.0
112.98677	2.9
113.02340	7.1
115.00259	12.7
117.03307	0.9
119.03419	1.0
119.04926	2.1
121.02827	1.3
122.03642	1.0
125.02322	2.5
129.01837	1.6
131.03453	1.5
134.03639	4.9
135.02904	1.1
135.04449	1.4
135.08063	1.0
135.51126	0.8
136.01584	1.7
137.02336	1.5
137.09566	1.0
139.00320	0.8
142.99768	9.1
143.03403	1.0
145.01308	1.0
145.02892	1.8
145.04999	1.8
149.02377	2.7
149.06018	1.2
150.03094	3.5
151.00154	1.1
153.01784	1.8
156.00644	1.4
160.01591	4.4
161.02347	1.6
161.04474	2.4
161.05919	0.8
163.03920	2.1
164.04608	1.0
165.01898	1.6
165.05449	3.6
165.12729	1.1
167.14406	1.0
173.00847	3.7
174.01607	9.3
175.02429	21.0
175.03938	3.5
179.05573	1.3
179.14397	1.7
181.04956	1.3
181.12157	1.0
183.13849	8.5
193.05022	4.8
193.12271	3.5
195.06503	2.2
195.13893	1.2
205.05051	1.3
205.12238	1.4
209.11673	1.6
211.13339	100.0
212.13721	3.3
213.14938	7.8
221.11760	1.0
223.13385	5.2
233.11798	1.5
235.08182	1.4
235.13341	3.4
237.14856	0.9
241.14398	20.6
247.13342	1.5
251.12816	5.5
253.09261	6.0
253.14453	2.0
259.13330	3.4
261.11200	1.2
263.12912	5.2
277.14438	2.5
281.13913	1.0
293.14160	0.8
329.15872	1.4
346.13980	0.9
389.12421	1.0
399.25415	1.2
400.92886	0.9
417.26349	1.8
429.21552	1.4
447.22433	7.3
466.74060	1.0
477.23492	2.5
499.16455	2.1
513.23120	1.4
623.34497	5.9
635.34235	10.4
636.35486	1.3
641.35468	11.7
653.35040	9.4
663.34131	2.4
671.36462	12.7
672.36664	1.9
679.33344	1.1
681.34753	4.6
683.36499	4.0
693.34583	2.2
697.34320	5.4
699.36084	3.7
707.36011	3.2
709.34705	1.5
711.35992	3.3
715.35260	1.5
723.35669	5.1
727.36267	1.9
735.35986	1.3
737.33856	2.3
753.37012	1.4
755.35052	1.8
767.35333	1.5
771.37439	3.0
787.37378	1.0
797.35553	3.2
815.37903	1.6
837.35077	1.9
845.38049	1.2
885.38202	1.4
927.38751	3.3
945.40265	5.1
945.57751	1.1
1007.43469	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	1001.5702
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01262	12.6
71.01659	0.6
71.04877	0.5
71.49824	0.6
72.99188	1.4
73.02821	1.3
81.03366	0.5
82.28117	0.3
83.01279	1.6
83.04916	0.8
85.02289	0.4
85.02830	9.9
87.00747	2.8
89.02325	10.0
93.03397	0.5
95.01283	1.2
95.04901	0.8
96.95890	0.7
97.02836	3.6
97.06475	2.5
99.00772	1.1
101.02341	7.5
111.08074	0.5
113.02351	4.5
116.92727	0.5
119.03388	2.4
124.41705	0.4
125.02350	3.3
125.09607	1.3
127.11185	1.6
131.03415	0.8
137.09596	1.8
141.09119	0.4
143.03418	1.0
155.10698	1.1
155.14391	0.5
161.04457	1.6
163.11212	0.4
165.12784	1.3
167.10619	0.6
167.14296	0.5
171.10193	25.4
172.10558	0.5
177.12827	1.1
179.05568	3.0
179.14323	0.8
183.13885	3.3
185.11751	0.7
193.12265	0.5
195.13860	4.5
197.11769	0.8
201.11302	1.5
209.11832	2.4
211.13359	15.3
212.13651	0.4
221.06659	1.7
221.11798	2.4
223.13393	3.7
224.51726	0.4
229.14436	11.3
230.14775	0.6
235.08154	2.2
239.12837	1.6
247.20697	0.4
253.09282	0.9
257.13757	0.4
275.20123	3.1
281.30392	0.4
287.07697	0.7
291.19662	5.3
293.21255	42.2
294.21658	2.3
305.08759	1.4
309.20746	10.0
310.21118	0.6
323.09726	0.6
327.21786	100.0
328.22144	5.4
351.21555	0.4
369.22711	0.4
397.13541	18.6
398.13882	1.2
415.14603	16.6
416.14764	0.9
562.17560	0.4
603.42944	4.9
604.43250	0.6
656.37488	0.4
691.35284	1.5
707.34863	5.6
708.35297	1.0
725.36078	5.4
726.35742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.6
69.07056	0.6
69.27865	2.7
69.28278	0.5
71.04973	0.3
73.02567	0.3
73.02916	1.9
76.00800	0.3
79.05505	1.7
81.03434	0.8
81.07063	1.7
85.02905	3.3
91.03960	2.1
91.05466	2.3
92.16868	0.3
93.07035	2.6
95.04997	0.5
95.08636	1.0
97.02892	3.4
99.04476	0.7
101.02393	0.8
105.07039	1.6
107.08613	1.0
108.94091	0.4
109.02856	0.4
109.10163	0.7
117.07034	0.4
118.27945	0.3
119.08635	1.3
121.10188	0.8
123.47070	0.3
127.03934	1.0
129.05446	0.3
129.07037	0.4
131.08609	0.5
133.10136	0.8
135.11726	0.5
145.05003	0.3
145.10184	0.4
147.11720	0.7
157.04840	0.4
159.11783	0.3
171.11749	0.4
185.04340	0.9
201.03831	0.8
203.05244	0.7
243.08447	1.6
244.94493	0.3
259.08017	0.3
259.20715	0.3
301.08859	0.8
315.10767	0.6
317.20526	0.4
327.10907	0.4
347.09512	3.1
363.08939	1.5
365.10565	0.7
388.99988	0.3
405.13718	4.5
437.21869	0.5
463.14285	1.2
465.21359	0.9
475.14648	0.4
477.16315	0.5
489.15997	0.5
525.23242	0.5
533.22351	0.3
535.28784	4.9
559.23901	0.5
599.26227	0.3
607.30597	0.6
627.25854	0.7
687.28638	0.8
697.33948	7.9
698.35089	0.4
732.85590	0.3
769.36798	1.0
818.35748	0.4
829.51086	0.8
921.48718	0.4
991.55988	100.0
992.56458	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	991.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.6
69.07064	0.8
71.01341	0.6
71.04996	0.8
73.02921	2.5
73.15366	0.4
79.05495	2.3
81.03428	1.8
81.07061	3.0
83.04964	0.6
83.08633	1.1
85.02903	4.6
91.03974	2.3
91.05486	1.7
93.07035	2.3
95.04970	0.9
95.08601	2.3
97.02891	5.1
99.04456	1.0
101.02386	1.5
105.07042	2.1
107.08614	1.4
109.02901	0.6
109.06524	0.6
109.10156	0.8
117.07056	0.6
119.08598	0.7
121.10168	1.0
127.03899	1.2
131.08627	0.6
133.10066	0.5
135.11717	0.5
147.11713	0.6
156.43639	0.5
159.11734	0.6
160.57162	0.4
185.04259	0.7
197.29184	0.6
203.05333	0.7
205.37509	0.5
233.37198	0.5
243.08528	1.8
333.20343	1.2
347.09644	1.6
361.94659	0.5
363.09094	0.6
365.10632	1.0
405.13739	5.4
420.50565	0.5
439.19431	1.1
453.21121	0.8
519.29089	4.7
551.28534	3.3
681.34540	5.8
713.33740	2.1
716.21246	0.5
829.50726	1.1
991.55981	100.0
992.56201	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	989.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	2.7
69.07061	1.2
71.04984	0.6
71.59204	0.9
72.70418	0.5
73.02914	2.5
79.05487	2.7
81.03428	2.4
81.07061	3.2
83.04984	0.7
83.08610	0.7
85.02900	4.0
91.03957	2.3
91.05505	1.7
93.07057	1.5
95.04987	0.7
95.08628	2.2
97.02875	3.9
97.10181	0.8
101.02409	1.1
105.07045	1.3
107.08614	1.4
107.20602	0.6
109.10136	0.7
121.10197	0.8
127.03970	1.0
145.10156	0.6
192.81136	0.5
203.05405	0.8
223.13498	0.7
243.08473	1.9
331.18860	0.8
335.26154	0.8
347.09543	1.3
365.10687	0.8
405.13620	5.3
461.84262	0.6
519.29260	4.0
549.26904	1.5
614.85858	0.6
681.34833	6.1
711.31885	0.8
873.28339	0.8
989.54352	100.0
990.54858	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	986.6054
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	3.1
69.07067	16.2
71.05002	1.8
73.02918	2.6
79.05492	34.2
81.03408	4.3
81.07056	37.6
82.16956	1.5
83.04953	3.2
83.08633	8.8
85.02885	10.7
91.03959	4.4
91.04896	2.1
91.05478	40.5
93.07040	35.2
93.07625	1.9
94.07401	1.6
95.04980	7.8
95.08607	29.8
97.02888	8.0
97.06536	3.7
97.10158	3.9
97.67672	1.8
99.08091	2.4
105.07034	36.6
107.04977	2.3
107.08596	19.0
109.06480	2.9
109.10149	11.0
111.05155	1.5
111.08073	2.5
115.05422	2.7
117.07014	19.9
119.08588	26.6
121.10161	14.4
123.08082	1.6
123.11715	5.2
125.09626	2.3
128.06229	4.8
129.07031	12.0
130.07753	2.1
131.08554	23.0
133.10120	19.2
135.08052	1.9
135.11732	9.3
136.06189	56.7
137.06514	7.1
137.09644	2.7
137.80627	1.5
141.07018	5.3
142.07811	2.4
143.08548	15.3
145.04990	3.4
145.10123	21.7
147.11681	12.9
149.13266	4.5
154.28519	1.5
155.08551	12.4
156.09305	2.2
157.10143	14.2
159.11679	14.3
161.13263	6.9
163.05980	3.0
163.11157	2.1
165.06995	1.9
167.08528	4.3
168.09297	1.4
169.10141	10.6
171.11697	13.0
173.13206	8.4
175.14833	3.1
181.10164	6.3
182.10806	2.1
183.11716	10.5
185.13292	7.3
187.14790	3.6
193.10216	2.1
195.11725	3.9
197.13264	7.3
199.14832	4.5
207.11539	2.2
209.13303	5.8
211.14845	5.6
213.16420	3.2
215.17979	2.5
221.13396	3.1
223.14854	5.0
225.16414	4.6
229.23790	1.6
237.16435	4.2
239.18001	4.3
249.16397	2.1
251.18045	3.6
257.18973	3.9
259.20667	4.5
297.22070	1.6
305.23129	1.6
313.21445	1.7
313.27496	1.8
323.23880	2.3
330.19232	4.4
331.19336	4.8
333.24225	4.9
335.25818	3.2
351.26727	2.6
365.28394	2.1
389.28442	1.7
407.28867	1.8
473.32739	1.8
499.39337	3.1
501.35373	3.3
517.40503	12.0
535.41376	5.5
539.37238	2.8
591.43915	9.6
609.45142	100.0
610.45258	8.1
621.43988	1.8
651.45801	2.8
660.46429	6.7
661.47284	14.9
662.47260	16.9
735.46954	2.3
753.49567	3.2
771.50085	7.8
824.52466	12.3
986.57098	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	986.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	7.3
69.07062	20.7
71.04978	3.2
71.58195	2.6
73.02898	3.3
79.05486	56.5
81.03417	8.6
81.07050	67.7
83.04962	8.2
83.08617	16.5
85.02895	10.2
85.06537	2.6
91.03952	4.6
91.05478	42.7
93.06474	3.5
93.07035	51.3
95.04961	14.5
95.08602	41.8
97.02887	9.3
97.06525	9.6
97.10165	11.2
99.08109	4.2
105.04575	2.1
105.07025	32.3
105.64918	1.7
107.04948	4.8
107.08582	41.2
109.02882	2.0
109.06524	5.5
109.10143	21.8
110.05582	1.7
111.04499	2.3
111.08094	3.0
115.05453	2.0
117.07020	12.5
119.08574	25.8
121.06507	2.7
121.10146	20.5
123.08067	3.3
123.11713	5.2
125.09628	7.3
127.03911	4.1
129.07004	3.9
131.08556	19.7
133.10112	22.4
135.08089	4.2
135.11673	19.6
137.09621	2.5
141.07016	2.0
143.08528	5.1
145.10115	18.5
147.11664	13.1
149.09615	9.8
149.13257	11.6
157.10149	6.1
159.11696	11.8
161.13246	5.8
163.11227	6.4
163.14835	2.4
171.11729	4.0
173.13283	9.1
177.12794	2.6
183.11664	2.2
185.13281	2.5
187.14728	2.5
189.11214	2.6
197.13316	2.1
223.13242	2.8
227.12680	9.0
229.14381	2.2
229.19684	1.9
239.18037	4.1
243.21097	3.4
255.15715	3.1
257.19009	8.4
261.22095	11.2
267.16089	2.0
269.17358	10.7
275.20038	34.0
277.21722	1.9
293.21179	6.7
299.23877	2.2
317.24738	3.8
331.22382	2.9
333.24149	2.8
335.25775	100.0
336.26257	3.4
349.23669	25.0
367.24927	4.3
505.34937	3.3
515.37292	10.6
529.38837	27.7
530.39191	2.0
609.45074	55.6
610.44489	2.3
627.46234	17.5
738.50891	2.0
935.38330	2.1
987.58966	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	986.6036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	5.7
69.07077	14.2
71.04989	3.4
74.52587	1.6
79.05492	54.1
81.03406	5.5
81.07051	50.3
82.16855	1.8
83.04976	5.8
83.08614	17.6
85.02896	4.7
85.06557	1.9
91.03979	1.8
91.05477	35.5
93.07041	45.9
95.04972	7.6
95.08607	27.5
97.02885	2.9
97.06516	4.8
97.10176	25.2
99.76276	1.6
102.84199	1.6
105.07032	29.2
107.04950	3.8
107.08596	58.2
109.02891	2.2
109.06525	4.3
109.10160	20.2
111.08093	3.1
117.07011	12.6
119.08582	16.1
121.10119	20.8
123.08085	2.8
123.11729	5.1
125.09628	25.9
125.10468	2.8
127.03894	3.3
129.07010	4.6
131.08556	15.4
133.10129	16.2
135.08061	4.9
135.11694	10.2
137.13222	2.4
143.08527	2.6
145.10101	15.2
147.11682	12.4
149.09650	4.2
149.13266	6.4
157.10114	3.6
159.11707	6.4
161.13304	5.8
163.14792	2.3
166.52026	1.8
169.10017	2.2
171.11658	2.9
173.13293	7.2
175.14841	4.2
185.13179	3.0
189.11237	14.5
205.27417	2.1
211.15009	1.8
227.12755	32.9
229.78468	3.1
243.21165	3.9
246.90891	1.8
257.19070	9.5
259.20514	4.2
261.22095	13.4
275.20013	28.6
314.03009	1.9
317.24728	2.6
331.22516	4.2
333.24152	4.4
335.25784	75.0
336.26160	2.6
349.23721	39.1
351.25443	2.7
359.29819	1.8
389.18130	3.7
405.14111	1.8
505.35327	15.5
513.80768	2.0
609.45087	100.0
610.45203	5.0
627.46094	17.0
649.39020	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	986.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	9.6
69.07064	26.3
70.00433	1.4
70.00833	3.3
71.01357	1.0
71.04997	5.1
71.08585	1.2
71.77174	1.0
73.02896	2.5
77.03931	1.8
79.05489	73.2
81.03403	12.2
81.03803	1.4
81.07050	91.0
82.07396	1.1
83.04977	10.4
83.08607	13.5
85.02901	11.5
85.06521	4.0
87.04452	0.8
91.03981	4.4
91.05474	51.3
93.07038	75.9
95.04972	16.4
95.08600	53.0
95.09241	1.0
97.02886	9.7
97.06532	11.9
97.10161	7.6
99.04450	3.2
99.08080	3.4
103.05473	1.3
105.07029	41.7
107.04935	6.6
107.08586	43.6
109.02885	2.2
109.06506	7.0
109.10146	24.5
111.04417	1.6
111.08091	4.3
115.05453	1.4
117.07008	16.3
119.08571	25.7
120.08833	1.3
121.06501	3.2
121.10139	28.6
123.08069	5.2
123.11703	7.2
125.09609	5.7
127.03910	4.6
128.06187	1.7
129.05504	1.7
129.07016	5.0
131.08559	22.7
133.06502	1.0
133.10118	22.3
135.08044	3.4
135.11681	19.0
137.09610	2.8
137.13269	1.8
139.11157	1.3
141.06934	1.4
142.07771	1.2
143.08548	5.1
145.04947	2.3
145.06384	0.9
145.10104	16.7
147.08107	1.6
147.11676	13.0
149.09601	9.1
149.13269	13.9
151.11177	1.7
154.07822	0.9
155.08499	3.0
157.10109	4.7
159.07997	1.3
159.11710	12.5
161.09639	1.5
161.13260	8.1
163.06068	1.5
163.11171	5.8
163.14803	2.8
165.12752	1.5
165.73714	0.9
166.04793	1.0
169.10062	2.5
171.10338	1.4
171.11642	6.1
173.04420	3.2
173.13216	8.4
175.11179	1.4
175.14792	2.6
177.12714	2.9
179.14339	1.8
181.12169	1.2
183.11707	2.9
185.13261	3.2
187.11221	2.1
187.14798	3.4
189.11197	3.4
189.16252	1.1
193.12206	1.3
195.13797	4.0
197.13240	2.2
199.14850	1.6
201.12866	1.1
201.16406	2.2
211.14778	1.1
213.14795	1.8
227.12753	6.8
229.14214	1.4
229.19464	1.9
239.17944	1.8
243.21068	2.9
245.13821	1.0
247.20636	1.5
253.14426	1.1
255.15959	6.7
257.19040	6.3
259.20581	3.9
261.22095	11.2
267.15848	1.2
269.17459	21.4
270.17789	1.3
275.20035	24.7
293.21097	3.5
300.80667	1.0
317.24762	2.2
331.22641	1.9
333.24152	2.1
335.25778	100.0
336.26047	6.0
337.83444	0.9
349.23734	26.3
367.24808	3.7
413.21597	2.0
437.33667	1.7
455.35376	1.1
489.35309	1.4
505.35254	1.7
515.37268	21.5
516.37860	1.9
529.38873	73.1
530.38593	5.3
535.41461	1.1
553.42017	1.2
569.41821	2.9
609.45105	42.9
610.44977	2.1
627.46234	10.4
673.43146	1.9
771.50568	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5882
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96921	0.5
69.03426	8.2
69.07063	26.3
71.04957	1.3
71.44588	1.0
73.02876	1.4
77.03893	0.7
79.05487	40.0
81.03414	6.0
81.07048	48.6
83.04962	4.2
83.08612	10.3
85.02905	4.6
85.06480	1.9
91.03948	1.3
91.05475	27.2
93.07037	40.1
94.04158	0.8
95.04388	0.6
95.04960	9.5
95.08600	32.0
97.02892	11.4
97.06534	3.8
97.10162	12.3
105.04498	1.0
105.07021	17.2
107.04288	0.7
107.04933	6.7
107.08586	22.4
109.02847	0.8
109.06490	3.5
109.10152	14.8
109.11268	0.7
111.08096	2.8
111.11696	0.6
115.05368	1.0
117.07020	9.1
119.04910	1.7
119.08572	15.1
121.06455	2.0
121.09334	1.1
121.10131	14.8
123.04365	0.7
123.08067	3.1
123.11671	3.5
125.09618	8.9
127.03915	1.0
128.06204	1.1
128.43478	0.6
129.06973	3.3
130.07758	0.7
131.08557	12.7
133.06483	2.8
133.10121	8.6
134.07240	0.7
135.08031	3.9
135.10815	0.6
135.11678	7.5
137.09564	2.6
137.13164	0.8
143.08507	2.9
144.09276	0.6
145.04895	0.6
145.06453	0.8
145.10120	8.9
147.08037	4.9
147.11696	5.7
149.09563	1.7
149.13280	4.6
149.14302	1.0
151.11110	0.8
153.09067	1.0
155.08470	1.2
156.61145	0.6
157.10081	2.5
159.07964	0.8
159.11691	4.7
161.09587	1.9
161.13312	3.0
162.10410	0.8
163.11130	1.6
163.14764	1.7
165.09081	1.3
165.12798	0.6
167.08522	0.8
169.12241	0.8
171.10162	0.7
171.11638	2.2
173.13237	2.3
175.11168	2.9
175.14769	1.0
175.54890	0.6
177.12680	2.1
177.16386	0.7
179.10609	1.0
180.02429	0.7
187.14795	1.4
189.11179	3.4
191.14297	0.8
193.12231	1.0
195.13690	0.8
199.11009	0.7
203.14258	0.7
205.12231	1.9
211.13162	0.8
223.13266	19.3
227.12740	4.1
243.21121	2.0
245.18900	1.1
249.14803	2.3
261.14963	0.6
261.22116	7.5
267.16013	0.7
273.18445	11.2
275.20047	0.7
291.19516	90.7
292.19849	1.4
292.22708	0.6
309.20395	0.7
317.24783	2.6
335.25772	76.2
336.26242	1.4
341.25009	0.7
347.22125	1.7
365.23212	40.9
366.23453	0.9
505.35684	0.9
527.37012	1.0
545.38544	4.7
601.20917	0.6
607.43396	2.8
625.44586	100.0
626.45056	4.4
787.51050	0.8
831.99896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5899
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53603	2.3
69.03428	8.8
69.07072	31.2
70.98392	1.9
70.98752	6.9
71.05000	3.7
79.05063	3.5
79.05496	43.0
81.03425	7.6
81.07056	39.2
83.04973	5.1
83.08609	11.2
85.02909	3.2
91.03951	3.1
91.05475	31.1
93.07044	39.5
95.04954	10.3
95.08614	25.1
97.02894	11.1
97.06554	3.5
97.10172	16.4
105.07030	18.0
107.04948	5.9
107.08590	22.4
109.10155	12.9
111.07999	2.4
115.05486	3.0
117.07024	9.6
119.08592	17.3
120.59960	2.0
121.06516	2.9
121.10158	8.6
123.08130	2.9
123.11694	2.4
125.09644	7.7
129.07059	2.3
131.08577	12.8
133.10132	8.0
135.08113	4.7
135.11688	9.5
137.09619	4.5
140.73286	2.3
142.07890	2.2
143.08574	2.6
145.10132	5.8
147.08052	5.8
147.11678	6.5
149.13284	4.0
159.11703	3.9
161.13246	3.4
163.14844	2.8
171.11670	2.2
173.13354	2.6
175.11264	1.9
189.11322	3.3
223.13263	25.2
234.40628	2.0
249.15053	4.1
261.22116	7.1
263.20157	2.5
273.18591	12.7
291.19547	100.0
297.58694	2.1
335.25812	52.6
365.23233	47.5
451.18173	2.0
455.41672	2.4
545.37885	3.2
557.38184	2.9
625.44580	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	1.4
69.07060	1.6
71.08621	2.1
71.58586	0.6
73.02898	1.1
73.55616	0.4
77.09438	0.5
79.05485	2.0
81.03408	0.9
81.07060	4.8
83.08614	1.5
85.02893	2.5
85.10181	1.2
91.03944	1.4
91.05470	1.3
93.07033	2.4
95.04967	0.5
95.08603	2.7
96.57578	0.4
97.02897	2.0
97.06536	1.1
99.04456	0.7
105.07010	1.0
107.04926	0.5
107.08599	1.4
109.02878	0.6
109.10155	1.4
117.07043	0.8
119.03515	1.1
119.08598	0.9
121.10146	0.8
123.11733	0.5
131.46033	0.5
133.10115	0.8
135.11688	0.7
136.06180	100.0
137.04578	1.5
147.11681	0.5
149.13252	0.9
174.07755	0.5
178.07283	0.7
210.09879	0.7
215.14067	0.5
269.17426	0.9
275.20184	0.5
286.16583	0.5
302.19736	0.6
313.27365	3.0
330.19226	17.3
331.19540	0.7
348.20142	2.4
404.23026	3.9
422.24002	3.0
426.24841	0.6
642.45905	1.2
660.46924	54.4
661.47412	2.4
822.52136	32.5
823.52301	2.0
885.80920	0.6
984.57739	6.6
985.54230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.7
70.06578	0.6
71.04989	2.0
72.08122	0.1
73.02934	0.1
76.03170	0.2
77.03934	0.4
79.05456	0.1
81.02979	0.2
81.03417	2.7
83.04961	0.2
84.04462	0.1
84.08127	0.2
85.02899	3.5
89.03928	0.5
91.05475	13.4
93.03367	0.2
95.04927	0.2
97.02878	0.4
99.04424	0.2
103.05454	0.5
105.03400	0.5
107.04940	0.2
109.02863	1.0
111.00759	0.2
111.04492	0.2
118.04153	0.3
119.04934	22.2
120.05222	0.3
121.02852	0.2
121.06487	0.2
122.03682	0.2
123.04421	0.3
127.03893	0.6
129.03377	0.4
129.04570	0.2
129.05484	0.6
131.04939	0.3
132.02104	0.9
133.02850	0.3
135.04408	0.5
136.05255	0.2
137.02333	1.1
137.05899	0.1
145.02820	0.5
146.03490	0.2
147.04402	20.4
148.04851	0.2
149.02347	0.9
153.01787	0.7
157.03967	1.6
163.03951	0.3
164.04698	0.6
165.01837	0.4
175.03899	38.8
176.04256	0.7
177.05344	0.4
179.05627	0.2
179.07024	2.0
192.04176	0.5
201.05315	0.2
207.06514	100.0
208.06834	1.5
219.06601	0.2
225.07635	0.6
229.04918	0.8
247.06041	0.2
257.04440	0.6
303.04977	21.9
304.05298	0.5
345.06067	0.4
351.10715	5.0
369.11795	8.5
376.49664	0.1
465.10254	0.9
517.09674	0.4
671.15686	0.8
765.59967	0.2
979.46899	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	979.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70888	0.2
69.03419	1.0
70.06583	0.6
71.04996	2.2
71.57819	0.5
72.08154	0.3
73.02901	0.2
77.03957	0.2
79.05502	0.3
81.03416	3.0
81.04533	0.7
83.04988	0.3
84.08150	0.2
85.02902	3.9
89.03905	0.7
91.05479	13.1
95.04948	0.3
97.02898	0.5
99.04464	0.3
103.05484	0.5
105.07006	0.2
109.02873	1.0
111.00791	0.3
116.74484	0.3
119.04939	20.6
121.02880	0.3
122.03613	0.3
123.28287	0.2
127.03901	0.8
129.03342	0.3
129.05458	0.5
132.02084	0.8
135.04349	0.6
136.05235	0.5
137.02347	1.7
137.05952	0.4
145.02843	0.6
147.04407	18.6
149.02365	0.7
153.01839	0.7
157.03925	1.5
160.01543	0.3
163.03906	0.4
164.04710	0.6
175.03903	38.6
176.04312	0.6
177.05479	0.6
179.07004	1.8
192.04193	0.6
201.05476	0.3
201.87779	0.2
204.24565	0.2
207.06523	100.0
208.06877	1.6
225.07480	0.5
229.04964	1.0
257.04398	0.9
275.17627	0.2
285.04001	0.3
303.04993	24.5
304.05359	0.7
351.10751	5.3
356.54453	0.2
369.11783	8.0
370.12357	0.3
412.00909	0.3
465.10132	1.3
615.53455	0.3
671.15814	0.9
979.45618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.61
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	23.7
71.58931	9.9
79.05495	96.0
81.07057	100.0
83.04974	9.3
83.08615	16.5
85.02885	24.0
91.05484	80.5
93.07042	79.4
95.04928	10.6
95.08607	68.6
97.02881	16.9
97.06505	10.2
105.07032	80.1
107.08588	37.5
109.10133	22.9
117.06942	19.5
119.08579	46.7
121.10136	35.3
131.08565	38.7
133.10167	44.8
135.11670	18.8
143.08545	19.3
145.10103	23.4
147.11676	25.7
149.13254	23.2
157.10167	18.0
159.11716	20.5
161.13245	36.5
163.14740	9.8
171.11667	8.7
173.13251	13.0
175.14771	20.8
180.45348	8.5
199.14912	13.5
241.19554	21.3
259.20609	54.3
261.22086	12.8
333.24164	52.6
335.25797	95.1
509.95343	8.7
611.46698	72.0
701.46619	9.3
818.84283	8.8
940.52368	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	970.6095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	26.6
70.09264	56.1
70.09653	33.2
79.05490	76.5
81.07067	94.1
83.08611	21.2
87.77451	13.9
91.05476	91.6
93.07037	100.0
95.04979	22.8
95.08594	76.0
96.98115	13.4
105.07045	98.8
107.08604	70.6
109.10151	29.7
117.07036	27.8
119.08588	55.2
121.10164	48.2
129.07002	17.1
131.08572	37.5
133.10106	55.6
135.11688	44.1
145.10141	43.2
147.11685	62.8
150.24272	18.1
159.11699	23.8
161.13229	20.1
171.11662	17.3
173.13240	16.5
185.13295	26.5
187.14847	16.3
241.19539	50.3
259.20605	95.3
333.24301	94.8
335.25714	90.0
423.63864	18.8
530.89496	18.1
593.45551	18.9
611.46667	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	60.9
67.63157	2.2
69.03423	3.2
69.07071	11.4
71.04984	3.0
79.05490	42.9
81.03413	3.2
81.07059	53.7
83.04971	2.5
83.08601	6.3
85.06532	12.7
91.05480	34.2
93.07032	38.7
95.04963	53.7
95.08601	29.3
97.06512	5.1
105.07021	25.0
107.04947	8.8
107.08581	22.1
108.56177	2.0
109.06513	55.2
109.10165	11.2
111.08081	3.1
113.06005	22.2
117.06999	14.5
119.08564	14.9
121.06501	5.6
121.10107	11.7
123.08069	4.0
123.11697	2.6
129.06982	6.4
131.08580	17.1
133.10109	11.8
135.08054	40.2
135.11670	11.1
143.08560	9.3
145.10117	11.3
147.08012	5.2
147.11685	5.4
149.09608	7.3
149.13263	4.0
157.10117	5.8
159.08060	2.9
159.11682	6.2
161.09604	8.7
163.11134	3.6
171.11688	3.9
173.13217	3.4
177.12726	3.8
199.14758	3.6
217.14133	2.1
217.15892	12.3
229.29488	2.8
245.18985	2.8
273.18457	29.0
274.56253	2.2
275.20120	2.4
280.84229	2.1
291.19531	100.0
309.20493	3.0
335.25787	82.4
336.25888	3.4
347.22137	8.2
365.23157	17.6
567.40558	3.9
607.43518	20.0
625.44604	90.6
626.44580	4.7
1000.07550	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	965.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	55.8
69.03422	6.4
69.07059	13.0
71.04998	4.6
71.58821	1.7
71.59210	1.8
73.02912	4.1
79.05489	43.4
81.03414	11.6
81.06582	2.6
81.07052	48.3
83.04979	5.0
83.08600	5.1
85.02901	16.3
85.06541	8.6
86.09689	1.7
91.03944	5.5
91.05473	44.3
93.07040	36.5
94.99345	1.4
95.01328	2.0
95.04962	39.2
95.08601	28.3
97.02879	8.0
97.06509	7.1
97.10187	3.1
103.05460	2.2
104.18288	1.3
105.07022	40.3
107.04954	14.9
107.08585	23.0
108.42044	1.7
109.06510	41.2
109.10161	15.5
111.08060	2.4
113.06015	20.4
115.05444	4.3
117.07019	20.9
119.05972	1.4
119.08569	24.6
121.06496	7.1
121.10136	13.5
123.04388	3.1
123.08044	9.9
123.11699	1.7
125.09632	2.3
127.03908	2.9
128.06224	4.8
129.07008	13.0
130.07779	3.2
131.04895	2.0
131.08566	26.7
133.06494	1.8
133.10143	23.0
135.08051	30.8
135.11690	12.7
137.09645	1.8
141.06960	7.0
142.07793	2.3
143.08565	15.2
145.04898	2.1
145.06477	5.1
145.10112	20.0
147.07991	4.1
147.10689	1.7
147.11676	10.7
149.09639	5.2
149.13274	6.9
155.08571	4.1
157.10100	13.3
158.02550	1.5
159.08041	4.1
159.11688	15.9
161.09641	5.7
161.13257	8.2
163.11148	5.7
165.12750	1.6
169.10143	9.2
171.11661	9.1
173.09592	1.6
173.13258	8.1
175.11227	3.5
175.14799	4.1
177.12721	5.1
179.08542	1.9
181.10136	3.4
183.11725	6.6
185.09605	3.0
185.13248	5.9
187.11180	5.4
187.14810	4.4
189.12820	2.6
193.10207	1.8
195.11685	3.9
195.13681	2.1
197.09680	1.8
197.13237	4.0
199.11252	3.0
199.14819	6.3
201.16374	1.9
209.13210	3.1
211.14832	3.5
213.16368	2.0
217.15909	5.8
217.19432	1.6
223.14833	1.6
227.17892	2.5
235.14601	1.6
241.14413	4.6
241.19501	7.4
255.17381	4.1
257.19000	3.2
259.20517	10.6
273.18494	18.6
275.19995	5.5
279.15921	18.9
291.19534	39.7
313.21848	2.0
315.23242	3.8
327.26852	4.5
331.22952	1.7
333.24252	21.4
347.22131	4.1
349.23770	2.4
353.24576	1.6
365.23248	12.7
450.83688	1.6
513.36041	2.1
531.38251	3.1
543.36639	5.3
549.39557	3.3
565.39075	3.5
583.40247	2.1
595.42816	2.0
605.41907	17.6
623.43005	100.0
624.43646	3.2
641.44067	62.7
642.43793	2.6
785.47858	2.4
803.48358	4.1
965.51868	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	965.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.7
69.07065	18.8
69.17767	0.3
70.03549	0.9
71.08292	0.3
71.08631	4.4
79.05477	2.3
81.03430	0.3
81.07056	4.4
83.04963	0.6
83.08616	15.7
85.10184	1.7
87.06684	0.3
91.05461	0.7
93.07050	3.0
95.04941	0.4
95.08607	3.0
97.02909	0.3
97.06528	1.7
97.10168	12.9
98.98459	5.9
105.07014	0.5
107.08573	2.0
108.29292	0.2
109.10184	1.3
111.08070	0.8
111.11728	3.4
116.99578	0.3
121.10138	3.0
123.11708	0.7
125.09595	0.7
125.13274	0.5
135.11676	1.8
137.13336	0.3
139.11122	0.5
149.13271	1.0
155.01027	3.0
156.89883	0.3
163.14854	0.4
173.02087	1.0
184.07278	0.4
222.93056	0.3
229.04814	0.3
237.22096	0.8
243.00122	0.3
247.05794	0.6
275.20105	0.4
311.25790	100.0
312.26215	1.6
357.39343	0.3
391.22379	0.3
447.19217	0.4
447.25085	5.5
641.40057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	39.8
69.03423	5.6
69.07062	22.7
70.71478	8.3
71.08645	25.6
79.05492	31.6
81.03390	6.3
81.07050	51.6
83.04951	4.9
83.08620	17.4
85.02888	13.2
85.10174	14.6
91.03939	5.5
91.05477	24.2
93.07041	32.1
95.04962	5.1
95.08034	4.5
95.08596	34.1
97.02895	5.8
97.06545	12.1
97.10186	21.2
105.07032	25.3
107.04952	7.5
107.08586	34.7
109.02808	3.3
109.06487	2.9
109.09501	3.0
109.10158	17.4
109.69795	2.5
117.07018	10.8
119.08605	16.9
121.10130	10.0
123.11703	4.8
125.09643	16.3
127.03869	4.2
128.52834	2.7
131.08562	11.4
133.10138	20.2
135.11684	7.2
136.71873	2.4
143.08549	3.3
145.10153	17.3
147.11676	8.5
149.09612	11.8
149.13275	3.1
159.11653	8.3
161.13254	4.4
163.11145	9.0
171.11707	4.1
173.13184	4.1
177.12721	3.9
183.11728	5.2
185.13275	2.8
189.11209	9.4
227.12782	33.9
229.14365	4.8
257.19019	11.5
269.17480	5.1
275.20065	43.4
282.81546	2.4
293.21045	2.9
306.97989	2.4
313.27368	100.0
331.22751	4.9
349.23718	55.9
351.96564	2.7
421.66559	2.9
467.37183	4.1
491.40872	3.0
493.38739	9.1
507.40500	31.3
587.46735	77.1
605.47510	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	953.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74641	0.3
67.05458	0.7
69.07027	0.4
70.97801	0.7
70.98161	0.8
79.05439	0.5
81.07025	0.6
91.05445	0.6
93.07010	1.0
94.87093	0.4
96.93227	0.4
105.07018	0.6
107.08561	0.4
109.10127	0.5
119.08480	0.4
121.10106	0.6
123.17162	0.5
137.18169	0.4
159.03201	0.4
184.07362	0.4
197.30081	0.4
261.61969	0.4
397.12540	0.5
399.14450	0.7
399.94406	0.5
400.15155	0.7
409.13300	0.5
410.13702	1.7
411.14642	3.4
412.15259	2.3
413.15994	1.5
414.16379	0.6
414.76193	0.5
423.14609	0.9
424.10693	0.6
424.15350	1.7
425.11572	0.5
425.16302	6.5
426.16925	4.4
427.17999	0.9
428.18973	1.9
437.11728	0.7
438.13144	1.8
439.13354	8.3
439.19089	0.8
440.13644	0.9
440.19302	3.6
441.19269	21.5
442.19458	1.2
451.13474	0.6
452.14551	2.4
453.15329	10.3
454.15875	3.1
455.16934	0.5
456.18005	1.6
457.14523	0.5
460.70871	0.4
463.13803	1.0
464.14313	0.5
466.12292	0.6
467.17166	23.3
468.17786	10.8
469.18851	10.6
470.18579	0.7
471.17065	0.8
479.17120	0.4
480.14276	0.9
481.14859	11.0
482.15125	2.5
483.16660	0.6
484.20920	1.4
485.18204	1.5
495.16470	13.3
496.17209	8.6
497.17810	1.5
498.18668	1.2
499.15714	0.9
500.20526	1.3
508.19333	0.5
509.18808	0.5
512.20575	2.6
513.22150	3.8
514.22174	0.6
519.77704	0.4
522.17841	0.6
523.19598	1.1
525.21661	0.6
526.19006	0.6
527.19330	1.2
528.20013	0.7
531.21948	0.5
536.19067	0.8
540.19470	0.6
541.20856	26.7
542.21112	1.7
551.19440	0.5
553.20526	0.5
567.18793	0.7
568.19727	0.9
569.20313	100.0
570.20612	7.3
572.19116	1.0
572.83203	0.5
573.23279	1.3
587.21259	0.6
595.19025	0.6
597.19763	23.9
598.20514	1.9
600.22064	4.8
601.22839	9.3
615.20551	2.4
627.21155	1.3
628.21692	10.2
629.22369	58.4
630.22449	3.7
758.81903	0.6
832.65863	0.5
865.43567	2.5
925.44904	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	65.5
69.03430	7.9
69.07067	20.7
69.83556	0.8
70.09445	1.0
70.18795	2.0
70.19205	2.5
71.01342	1.1
71.04992	27.5
73.02904	3.1
74.48627	0.8
75.58379	1.1
79.05488	39.4
80.05841	0.8
80.51285	0.8
81.03415	12.5
81.07051	100.0
83.04980	8.8
83.08613	14.5
84.04508	4.3
85.02901	10.5
85.06546	6.9
86.09706	1.8
87.04432	1.5
91.03963	3.1
91.04899	2.1
91.05474	40.2
92.05756	0.9
93.07038	41.3
94.07387	0.9
95.04972	9.9
95.08600	21.3
97.02888	7.1
97.06528	12.8
97.10168	8.1
97.13734	0.9
99.04472	1.9
99.08072	2.8
105.04527	0.8
105.07029	28.7
107.04950	5.8
107.07860	1.8
107.08591	31.7
109.02872	2.0
109.06499	5.8
109.10156	13.5
111.04460	2.0
111.08101	3.2
113.09644	1.1
115.03924	1.2
115.05466	1.2
117.07017	10.5
119.08582	18.2
121.06528	4.0
121.10137	16.1
123.04372	1.1
123.08084	2.4
123.11693	14.7
125.09621	8.5
126.05519	6.3
127.03939	6.1
129.05472	1.6
129.06992	5.9
130.35886	0.9
131.08557	15.6
133.06500	1.4
133.10132	29.7
135.08047	3.4
135.11676	11.9
137.09601	2.2
138.05492	2.8
141.07008	2.0
143.08568	3.4
143.24188	0.9
145.04971	1.5
145.06508	2.1
145.10120	11.5
147.08037	1.7
147.11670	8.8
148.66998	0.8
149.09625	9.5
149.13260	10.1
151.11171	8.0
153.09171	1.3
155.08525	1.5
157.10162	4.0
159.11662	9.2
161.09558	1.2
161.13275	3.3
163.05952	1.0
163.11206	6.8
165.12820	1.4
168.06557	1.4
169.10135	2.7
171.11717	3.2
173.04483	3.3
173.09639	1.1
173.11844	1.5
173.13258	3.7
173.45442	0.9
175.11078	1.9
177.12810	4.3
179.14326	2.9
183.11720	2.3
183.13818	3.2
184.07352	3.5
185.13232	2.0
186.07684	0.9
187.11201	1.4
187.13300	5.3
187.14774	1.2
189.11211	3.9
189.12720	1.1
193.12320	1.3
195.13791	3.1
199.14873	1.5
201.14839	1.3
204.08685	8.5
213.14891	2.0
217.15819	1.1
225.14838	4.2
227.12724	9.3
229.14349	1.2
229.19505	1.5
231.13968	1.0
239.17920	1.5
243.15825	4.2
247.20558	1.5
251.16431	1.6
257.16959	1.1
257.18994	3.7
267.15912	2.7
269.17459	13.0
275.20062	21.2
293.21115	3.6
297.05106	0.8
301.20074	23.4
331.22696	2.6
333.24414	0.9
335.24091	0.8
339.18234	1.1
349.23703	15.1
350.14429	2.1
367.24817	1.0
397.25858	2.0
405.42856	0.9
407.29147	1.1
419.28265	1.7
421.29517	1.1
423.27362	5.7
427.26898	6.0
433.30850	1.1
437.28998	16.7
439.26953	0.9
445.29660	2.4
449.29001	18.2
451.30902	5.0
455.29932	2.8
461.28854	1.9
463.30508	17.1
471.29446	1.0
477.31943	1.4
481.31598	4.6
485.32745	1.6
489.35913	1.6
495.33173	35.6
497.38013	0.9
499.34036	6.9
503.33649	1.1
515.29742	1.0
515.37048	1.4
517.35260	51.3
518.35175	2.2
525.35815	5.3
531.36926	8.6
539.28595	1.3
541.34998	1.2
543.36774	53.3
544.36993	2.1
549.37781	2.0
561.37811	5.1
575.39496	26.4
576.39386	1.1
581.32904	2.0
583.30951	1.2
589.33783	1.3
593.41052	5.4
607.34753	6.0
639.37115	2.7
661.40283	1.3
687.40887	1.5
719.43207	1.6
737.44067	1.3
849.16370	0.9
952.42676	1.6
953.44745	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	78.6
68.10515	4.1
69.03419	17.7
69.07056	28.4
70.99475	4.4
71.04980	6.3
71.58227	7.9
73.02905	8.4
79.05485	67.3
81.03411	6.3
81.07056	73.5
83.04940	6.7
83.08605	14.6
85.02896	26.9
91.03947	7.2
91.05472	62.2
93.07040	71.6
95.04952	14.4
95.08608	50.4
96.56517	4.5
97.02876	17.1
97.06520	42.9
97.10162	13.7
97.54517	5.0
101.22109	4.8
105.07023	43.1
107.04946	21.2
107.08589	54.1
109.02875	5.3
109.06487	5.5
109.10158	27.0
111.08041	5.1
117.07021	15.5
119.08591	36.9
121.06473	5.6
121.10132	27.7
123.11692	4.5
125.09617	20.9
127.03902	10.3
129.06993	6.8
131.08568	23.2
133.10123	27.7
135.11639	13.9
145.10095	21.7
147.11688	17.8
149.09586	24.1
149.13278	9.5
157.10107	5.4
159.11699	13.6
161.13263	13.0
163.11224	10.6
169.10069	5.8
169.22110	4.9
173.13188	6.6
181.12177	4.5
189.11172	11.5
189.12724	5.6
227.12773	29.2
261.22183	16.1
275.20078	61.0
293.21216	6.0
333.24548	5.8
335.25800	100.0
349.23764	47.5
361.64899	4.8
409.79001	5.1
427.64993	4.5
431.31772	8.5
450.78732	5.0
489.35974	6.6
505.35104	16.4
513.39380	7.3
515.36615	5.8
544.74414	5.5
609.45081	77.2
627.46448	29.9
651.45691	5.1
693.46429	6.0
951.53809	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	949.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	68.1
69.03432	21.3
69.07065	24.7
71.01360	2.6
71.04974	6.9
73.02906	11.6
73.03253	1.6
79.05492	48.2
81.03423	23.2
81.07056	65.0
83.04979	6.3
83.08612	15.4
85.02895	27.5
85.06536	4.1
91.03954	12.6
91.05481	51.1
93.07047	50.2
95.04966	15.8
95.08602	35.9
97.02888	28.7
97.06535	19.8
97.10184	13.2
98.21507	5.6
99.04449	5.4
99.08095	3.3
101.02398	2.6
103.05491	2.5
105.04514	1.9
105.07027	41.5
107.04955	9.2
107.08595	28.8
109.02881	5.0
109.06516	7.6
109.09453	2.5
109.10152	22.6
111.04447	2.1
111.08079	4.7
115.03916	2.2
115.05465	4.5
117.07013	22.6
119.04951	1.8
119.08578	38.1
121.06484	4.0
121.10124	17.7
121.72142	2.0
123.08034	3.9
123.11678	6.5
125.09634	11.6
127.03926	11.6
128.06218	7.2
129.06993	17.7
131.08562	29.7
133.06511	3.7
133.10123	22.6
135.08080	6.0
135.11664	11.7
137.09618	4.8
141.06989	5.4
142.07762	6.3
142.99707	1.8
143.08556	17.5
145.04932	5.1
145.06493	2.8
145.10126	27.0
146.69783	1.8
147.08038	4.9
147.11665	20.0
149.09624	7.9
149.13261	4.3
151.11157	4.3
154.07794	3.2
155.08549	12.7
157.10120	20.7
159.08067	3.8
159.11691	18.5
161.09721	4.8
161.13255	10.1
163.11166	5.4
165.07063	2.8
167.08524	7.2
168.09384	3.0
169.10149	14.5
171.11693	16.2
173.04512	5.3
173.09697	3.2
173.11839	3.2
173.13254	10.2
175.11153	3.0
175.14841	4.5
177.12791	1.9
180.09167	2.1
181.10168	8.4
183.11671	13.7
184.12399	1.8
185.13246	13.5
187.11121	3.1
187.13261	2.6
187.14798	6.6
189.11215	7.3
189.12767	3.2
193.10132	3.5
195.11710	7.2
197.09555	1.8
197.13231	10.6
199.11165	2.3
199.14815	6.6
201.12767	2.8
201.16370	4.4
207.11711	3.7
209.13242	9.0
211.14806	7.7
213.12807	2.1
213.16414	5.4
215.14560	2.2
215.17917	2.1
219.11684	2.1
221.13268	3.7
221.70107	1.8
222.65292	1.8
223.14847	6.1
225.16380	3.9
227.12709	11.9
227.18007	3.8
229.14256	4.8
235.14868	2.6
237.16438	2.4
239.17981	3.3
241.19585	4.3
243.15771	2.5
247.17061	2.3
251.18050	2.9
257.18967	4.8
259.20636	9.4
267.15805	2.4
267.21066	2.1
269.17447	2.1
271.20703	2.3
275.20041	17.5
279.23849	2.1
291.19608	5.0
325.21603	2.7
333.24164	6.6
335.25983	2.1
337.24741	1.9
337.95248	1.9
349.23822	7.9
365.28549	3.2
403.29099	2.3
421.30704	3.2
466.66150	2.3
495.34332	4.3
499.34467	2.2
513.35760	20.4
515.38007	5.8
527.37207	10.9
533.39874	7.6
551.40717	5.5
555.36475	1.9
557.39148	2.2
589.42163	3.6
597.45038	2.7
607.43494	45.3
608.43866	3.0
623.42444	3.0
625.44556	100.0
626.44666	5.4
649.44305	3.2
653.40649	2.2
689.42371	6.0
751.47858	3.2
769.48322	6.2
787.49976	11.4
949.55597	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	949.259
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48428	0.2
68.99783	0.3
69.03423	0.9
70.06591	1.2
70.09399	0.7
70.09808	0.4
71.04987	4.6
71.06919	0.2
72.08152	0.2
73.02891	0.2
75.04458	0.2
76.26775	0.2
78.04686	0.2
81.03407	2.8
83.04964	0.4
84.08159	0.2
85.02900	6.8
86.09696	0.4
87.04454	0.4
89.03907	4.0
91.05465	0.4
95.04940	0.4
97.02884	0.9
97.06540	0.2
99.04436	0.3
103.05421	0.3
106.04176	0.2
109.02853	1.4
111.04433	0.4
117.03368	10.8
118.03694	0.2
119.04908	0.3
121.02871	0.5
121.10189	0.2
123.04461	0.2
127.03918	1.5
129.05489	1.3
134.03595	0.7
135.04434	1.1
137.02338	3.9
137.03395	0.3
145.02831	35.0
146.03249	0.3
147.04378	0.5
147.06508	0.4
149.02338	0.4
149.05963	4.7
153.01807	1.1
158.06010	0.3
161.05962	0.2
163.03860	0.8
165.01822	0.5
165.93929	0.2
171.02835	0.5
177.05455	100.0
178.05861	1.1
183.02896	0.2
186.05447	1.2
195.06514	1.3
201.05510	0.4
207.06522	0.4
223.07712	0.2
229.04897	1.6
229.07051	0.2
229.15492	0.6
247.05969	0.2
247.94536	0.2
252.10213	0.2
257.04474	1.3
285.04007	0.2
295.57169	0.2
303.04965	48.3
304.05386	0.7
315.04855	0.3
321.09647	5.2
339.10724	8.4
345.05936	0.6
384.44492	0.2
454.19952	0.3
528.60834	0.3
550.21509	0.6
574.77264	0.2
641.14972	1.3
781.79388	0.2
786.38672	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	940.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45304	0.3
67.05503	1.4
68.05003	0.9
69.03426	8.1
69.07057	0.3
69.71986	0.2
70.06587	2.3
70.69770	0.3
70.70121	0.7
71.01337	1.2
71.04996	1.5
72.04513	8.3
72.08133	0.3
73.02914	18.5
75.04475	11.2
79.05480	1.2
80.05006	0.9
81.03408	1.7
81.07048	1.7
83.01340	0.3
83.04977	6.4
83.08609	0.5
84.04499	11.4
85.02899	9.5
85.06496	0.3
86.06059	0.5
86.09704	0.3
87.04452	1.0
88.03976	0.5
91.05497	1.4
93.07041	2.8
95.04971	1.4
95.08612	2.7
96.04480	4.1
97.02888	12.2
98.06039	2.9
99.04438	0.8
100.03909	0.3
101.02330	0.3
101.06020	0.6
102.05544	0.8
103.03947	1.0
103.05492	0.4
105.07037	1.4
107.04906	0.4
107.08588	2.1
108.04488	0.6
109.02879	0.5
109.10126	1.2
111.04434	8.5
113.05982	1.7
114.05508	1.4
115.03922	6.9
115.42322	0.3
117.07016	0.3
119.04914	0.3
119.08591	1.9
120.75595	0.3
121.10148	1.7
122.05986	0.3
123.04388	0.4
123.11720	0.7
124.03955	0.4
125.06027	0.3
126.05511	6.7
126.06390	0.5
127.03891	3.3
129.05469	6.5
131.07043	1.0
131.08543	0.8
133.04942	1.6
133.10135	0.5
135.04347	0.3
135.07980	0.3
135.11671	0.7
135.81915	0.3
136.06209	0.4
137.05951	1.1
137.13246	1.0
138.05473	0.6
139.03931	0.6
143.08473	0.6
144.06561	7.4
145.02856	0.7
145.04942	1.1
145.06400	0.3
145.10062	0.9
147.04404	1.2
147.06520	1.3
147.07980	0.3
147.11665	0.8
149.04437	0.6
149.05893	0.3
149.09595	0.3
149.13272	0.8
150.05540	0.3
153.05441	0.4
155.08545	0.5
157.10126	0.7
159.11697	0.7
161.06026	0.4
161.13239	0.6
162.07608	100.0
163.07803	0.7
163.14893	0.3
165.09125	0.3
167.07040	0.6
168.06525	0.7
169.04938	0.7
169.10117	0.8
171.11696	0.8
173.06245	0.3
173.13287	0.4
174.07674	0.4
177.05446	1.2
177.16452	0.3
179.14418	0.3
180.08678	3.1
181.04919	0.6
183.06535	0.5
183.11662	0.6
185.13187	0.4
186.07686	0.5
189.16435	0.5
191.14304	0.7
193.12167	0.3
197.13234	0.4
199.14734	0.4
203.10522	0.3
203.17880	0.4
204.08652	3.0
212.09299	0.3
213.16412	0.4
213.88780	0.3
215.10756	0.3
217.19572	0.3
223.14958	0.4
225.05511	0.2
225.07542	6.1
228.08678	0.4
229.12097	0.3
237.16502	0.4
243.08577	1.5
246.09677	1.2
256.89206	0.3
258.09692	0.7
261.09641	0.7
272.11374	1.4
276.10855	0.8
279.10587	0.3
290.12384	2.6
294.11758	4.5
301.14230	0.3
302.07166	0.3
303.15836	0.5
308.13373	16.3
315.15875	0.8
317.17313	0.3
326.14395	0.4
329.17523	0.5
336.12836	1.1
343.19000	0.3
362.15027	0.3
404.15509	0.4
417.15717	0.3
422.16373	1.0
440.17621	17.0
458.18863	0.7
465.30096	3.9
471.44913	0.3
483.31003	4.0
662.39038	1.4
808.44604	0.9
940.50336	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.0
65.82852	0.5
67.05503	7.0
67.30210	0.5
69.03424	7.2
69.07062	1.6
69.66858	4.3
70.06564	0.8
71.01349	1.0
71.04990	1.8
73.02907	1.2
74.35089	0.5
75.04487	2.8
77.03915	0.5
79.05486	19.9
80.05840	0.8
81.03416	3.5
81.07049	10.5
82.07379	0.8
83.04972	10.7
83.08610	2.2
84.04498	2.4
85.02895	8.2
86.09719	1.3
91.03972	0.6
91.05477	22.4
92.05808	0.8
93.03401	0.6
93.07037	100.0
94.07366	2.0
95.04962	12.7
95.08598	9.8
96.21775	0.5
97.02880	3.9
97.06513	2.6
97.10156	0.6
99.04455	5.4
101.06004	0.8
103.05460	1.9
105.04512	1.0
105.07018	13.8
105.07682	1.1
106.07331	0.9
107.04949	2.1
107.08583	15.8
109.02890	1.1
109.06513	3.9
109.10169	1.9
111.04438	12.4
111.08077	8.7
113.06018	0.7
115.03939	0.6
115.05447	1.3
116.06238	1.0
117.07018	2.7
118.79273	0.5
119.04956	0.9
119.08577	19.5
120.04472	1.2
121.06519	5.3
121.10135	68.7
122.10476	1.7
123.04430	1.2
123.08057	2.9
123.11694	2.0
124.99967	0.7
125.06001	1.9
125.09621	0.6
126.05495	3.9
127.03899	1.0
128.06238	0.9
129.05475	2.7
129.07018	2.8
131.08560	12.0
132.08873	0.6
133.06483	0.6
133.10138	3.9
135.08060	5.1
135.11731	1.6
137.05972	4.4
137.09622	1.9
138.05496	1.5
139.03922	0.8
139.07552	0.7
139.11177	1.4
141.05432	1.2
142.07733	0.8
143.08545	2.8
145.06506	1.3
145.10112	4.0
147.08028	3.8
147.11655	2.0
149.06009	1.1
149.09616	28.4
151.07555	0.9
153.05576	0.6
153.06808	0.6
155.08612	0.8
157.10065	2.7
159.08020	1.8
159.11742	1.7
161.09650	3.1
163.07559	2.1
165.05560	0.9
165.06999	0.7
165.09161	1.6
167.07063	2.5
167.10680	10.8
169.10077	1.3
171.08092	0.6
171.11728	1.7
173.09610	1.7
175.07475	0.6
175.11212	1.8
175.14864	0.9
177.05508	0.7
177.09108	3.1
181.08586	1.1
183.06528	2.1
184.07306	3.6
185.08041	1.0
185.09645	1.6
185.13222	1.3
187.11139	1.7
189.12781	1.1
191.10696	1.1
193.12228	1.2
195.11707	0.9
199.11151	1.5
201.09087	1.0
203.10645	3.8
204.08681	4.7
205.12279	0.8
211.13315	1.3
213.12648	2.6
214.47195	0.7
215.10590	1.2
217.12263	1.4
231.10316	0.5
231.13779	3.0
233.11821	1.3
233.15448	0.6
235.13364	0.6
241.12259	2.2
259.13293	6.4
267.15906	1.0
268.16537	0.7
275.19989	0.9
277.14304	14.5
279.20093	0.6
285.16983	1.6
295.15381	28.9
296.15692	1.0
297.80920	0.6
313.16409	25.6
336.12820	0.9
349.23734	0.6
350.24133	0.7
443.24228	1.1
448.96841	0.6
502.69995	0.6
517.19946	0.6
541.35541	0.8
542.35504	1.7
553.27814	0.9
559.35919	1.2
560.36456	1.8
578.37378	0.7
589.30212	0.8
598.77490	0.7
607.30200	1.0
625.31500	0.9
649.86951	0.6
720.46558	0.6
937.44147	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	2.2
67.05499	69.3
69.03413	4.7
69.07064	15.6
70.98445	2.6
71.04986	6.0
71.08617	1.0
71.35064	1.2
73.02910	2.9
79.05484	53.2
81.03412	100.0
81.07050	74.7
83.04982	8.7
83.08612	26.2
85.02898	9.0
85.06528	3.5
91.03952	6.4
91.04893	1.8
91.05473	43.7
93.07034	58.5
95.04961	35.8
95.08598	55.0
97.02873	6.5
97.06538	6.0
97.10144	8.0
99.08118	1.3
105.07024	31.5
107.04938	8.2
107.08588	32.9
109.02875	1.4
109.06515	6.1
109.10151	25.3
111.04422	2.4
111.08076	7.3
115.05473	1.9
117.07006	11.4
119.04914	1.3
119.08570	30.0
121.06535	5.1
121.10132	32.5
123.04405	2.7
123.08080	5.2
123.11700	9.1
125.09607	5.6
127.03890	1.8
129.06996	14.9
131.08556	24.9
133.06477	4.2
133.10107	18.6
135.08044	1.7
135.11679	18.0
137.05956	1.4
137.09621	2.7
137.13232	3.3
139.71904	1.0
141.06863	1.3
142.07735	2.9
143.08546	4.3
145.04980	3.2
145.10095	12.6
147.04382	1.7
147.08031	5.1
147.11661	16.2
149.09624	7.1
149.13252	8.0
151.11186	1.2
153.09111	1.2
155.08473	2.5
157.10112	13.5
159.11667	10.2
161.09550	1.7
161.13243	7.9
163.05995	3.5
163.11169	4.1
163.14854	5.5
165.12711	2.9
167.08646	1.3
169.10054	1.7
171.10286	1.4
171.11711	2.9
173.09656	1.3
173.11964	1.0
173.13232	6.1
175.11203	8.0
175.14796	3.4
177.12766	2.2
177.16292	1.3
181.10194	1.3
183.11720	1.3
184.07306	2.0
185.13281	2.9
187.14812	4.6
189.11180	3.8
189.12723	1.3
193.12234	28.3
197.13251	1.2
199.14851	1.2
207.13786	1.3
211.13261	2.0
227.12709	6.7
233.15315	1.3
235.13206	3.5
243.20981	6.7
249.14835	3.9
259.13269	2.6
261.22107	23.7
267.15891	96.2
268.16238	1.7
273.14804	3.2
279.23138	1.4
301.14380	2.8
301.25201	8.7
309.16922	4.2
317.24713	3.2
319.15323	1.4
335.25772	98.4
336.26019	2.7
359.25769	1.4
375.18143	1.2
407.24561	1.2
417.26364	1.3
421.25870	2.9
435.27209	2.1
435.32504	4.5
453.33481	8.2
471.35001	5.1
509.36044	1.9
527.37280	70.3
528.37799	2.7
545.38306	63.3
559.39825	1.7
569.38287	11.4
587.39471	1.3
593.38635	1.2
611.39203	2.3
623.39191	3.3
635.39410	3.3
653.40222	4.2
671.41388	3.1
689.42358	1.3
729.21753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	0.6
67.05505	4.4
69.03410	1.8
69.07046	0.7
70.06581	1.5
70.10452	2.2
71.04990	0.9
72.08117	0.7
73.02909	1.2
74.00653	0.7
76.02226	54.8
76.03991	2.0
79.05489	5.5
81.03416	44.5
81.07055	3.7
83.04967	3.1
83.06073	0.6
83.08142	0.7
83.08616	10.7
84.04501	12.5
84.08146	0.7
85.02904	5.9
85.04026	1.3
85.06512	0.4
86.99042	2.1
88.02226	0.9
91.03961	2.8
91.05475	6.1
92.01678	0.5
93.07053	2.8
95.04967	15.0
95.08621	1.0
97.02897	5.6
97.10151	0.7
98.20895	0.7
99.04446	0.8
100.02168	0.6
105.07036	4.9
107.04958	3.5
107.08578	1.7
109.06506	1.2
109.10148	0.6
111.04463	1.2
111.08080	4.8
113.05215	0.4
115.05411	0.7
116.01675	16.7
119.08567	5.1
121.06462	0.9
121.10130	2.9
123.04422	1.3
127.03902	1.3
128.07098	0.5
129.07025	3.4
129.10204	0.8
130.05002	8.6
131.04501	0.7
131.08557	4.0
133.06493	1.7
133.10130	3.0
136.06126	0.5
137.05994	0.8
137.09578	0.8
142.03218	7.3
142.07770	1.2
144.01144	8.7
145.04962	1.4
145.10085	0.8
147.04416	0.9
147.08037	1.7
147.11673	4.1
149.09595	2.7
157.10150	5.4
161.03761	0.6
162.02197	28.5
163.06033	1.4
165.12708	0.9
170.02713	2.6
175.11189	7.0
177.03281	2.2
179.04846	42.4
185.03749	0.6
187.05324	2.4
193.12241	28.1
197.73224	0.4
199.05328	0.9
208.06047	0.8
211.13295	2.9
215.04834	1.9
233.05910	13.1
235.13345	1.3
245.05925	2.9
249.09348	0.4
259.11053	0.6
267.15915	19.7
268.16339	0.4
273.14777	0.7
285.16959	24.4
290.08084	1.1
291.06424	2.0
297.16754	0.5
303.05072	0.7
308.09094	100.0
309.09369	0.9
309.16870	4.7
317.47061	0.4
341.10104	1.2
350.10318	0.6
351.17941	0.6
363.18002	1.0
373.47208	0.5
375.18112	0.7
377.80304	0.5
386.10416	0.5
393.18982	0.8
396.20355	0.5
406.15765	0.4
429.21112	0.7
434.12042	0.7
452.13266	1.1
470.14313	3.5
542.41467	0.4
564.38428	0.4
574.24017	1.5
592.25391	4.2
754.30457	2.7
916.34729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	4.0
67.05497	1.3
69.03411	2.4
69.59530	3.8
70.06602	3.6
72.08142	0.8
73.02921	1.4
75.04480	1.3
76.02225	63.5
76.03981	1.7
78.04718	1.2
79.05485	4.4
80.05003	1.3
81.03415	2.0
81.07042	1.2
81.33690	0.6
82.04191	1.2
84.04502	18.0
84.08124	1.1
85.02910	5.2
86.09747	0.7
86.99049	2.8
89.03886	0.9
91.05478	8.2
93.03398	3.5
93.07027	2.7
95.04969	5.4
97.02878	2.7
97.06533	2.3
98.06042	0.7
98.20774	0.8
102.05574	0.7
103.05466	17.2
105.03379	1.4
105.07030	6.6
106.04179	6.9
107.04952	8.3
109.06537	0.9
110.03615	1.6
111.04437	2.0
115.05435	4.5
116.01675	16.2
117.03371	0.8
117.07049	3.4
118.04146	3.8
119.04910	1.9
119.08600	1.8
121.06500	9.7
122.03656	1.0
123.04443	3.7
124.05224	1.3
125.05994	4.5
127.03904	0.7
129.06952	1.3
130.04164	0.8
130.05000	9.5
131.04926	20.2
131.08495	1.2
132.05695	2.1
133.02837	2.6
133.06503	7.1
133.10164	0.8
134.03632	1.8
135.04382	1.9
135.08037	2.0
136.06200	0.8
137.05989	4.8
138.03172	1.1
139.07550	1.0
142.03275	6.6
143.04910	0.9
144.01125	9.9
144.05650	1.3
145.02858	1.0
145.06514	5.3
146.03635	1.6
147.04411	2.8
147.08063	1.8
148.05180	10.5
148.22340	0.7
149.05977	16.5
151.02100	1.6
151.03922	3.7
151.07515	1.7
152.04660	1.0
153.05452	2.5
153.09090	4.1
157.06467	1.0
159.08064	1.5
160.05203	1.1
161.05991	7.2
162.02214	31.4
162.07574	2.1
163.03883	1.9
163.07547	20.4
165.05492	1.1
165.09084	0.9
166.40433	0.6
167.07039	41.7
168.07430	0.6
170.02689	3.2
171.06538	3.7
173.05994	5.5
175.03883	0.9
175.07558	3.2
176.04694	2.7
177.03218	0.8
177.05463	12.9
177.09087	0.8
178.05882	0.6
179.01604	2.0
179.04849	55.5
181.04951	58.0
181.08498	8.4
182.05246	0.8
185.05978	0.8
187.05342	1.6
187.07501	4.0
189.09143	0.8
190.00836	0.7
190.06290	1.5
191.07025	79.9
192.07747	2.0
193.05080	0.9
193.08658	2.2
195.06490	3.4
199.05415	0.7
201.05476	1.8
203.07037	2.0
205.06703	0.8
205.08603	3.0
207.06502	2.2
207.08623	1.4
207.10452	1.3
208.01892	1.2
209.08081	51.6
210.08446	1.1
215.04904	1.9
217.08592	1.2
219.06433	0.8
219.08295	0.9
219.10175	4.9
221.08043	1.7
223.04239	14.5
224.04503	1.0
225.07646	1.5
231.04347	0.8
233.05896	16.0
233.08110	5.2
235.07542	2.3
235.09647	4.5
245.05928	2.6
245.08179	2.2
249.05795	1.1
263.09149	24.2
265.08716	0.9
267.10165	2.7
277.05316	1.5
279.10208	1.2
282.08160	0.9
283.09558	0.9
290.08069	1.4
291.06451	2.6
295.09671	1.4
302.04398	0.8
307.09686	0.9
308.09100	100.0
309.09512	0.9
313.10666	1.0
315.08481	0.9
316.09409	0.7
317.06540	2.0
325.10703	2.4
329.13773	1.1
335.09393	0.8
337.10941	0.8
339.12250	1.0
344.12750	0.7
355.11813	1.1
357.13568	5.3
364.98108	0.8
367.11673	2.3
369.10974	2.1
371.15121	1.3
385.12796	8.9
387.14209	1.3
389.15759	0.9
399.14349	3.2
417.15414	17.9
436.30408	1.6
486.15485	1.3
498.15363	1.0
565.34381	1.3
566.33850	1.9
609.23389	1.3
645.38312	0.8
728.39221	1.4
772.41394	2.1
934.47131	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	1.0
67.05505	15.2
69.03428	8.9
69.07069	7.1
69.35352	2.1
69.35777	3.3
71.01353	1.0
71.04974	1.5
71.08625	1.1
73.02913	8.3
79.05491	9.6
81.03424	4.2
81.07058	13.9
83.04982	1.9
83.08630	3.4
85.02904	18.3
85.06527	0.5
91.03953	10.2
91.05479	9.4
93.07037	11.2
95.04974	3.0
95.08603	11.5
97.02282	1.1
97.02892	17.7
97.03522	0.9
97.06532	1.4
97.10153	2.9
99.04453	2.1
101.02383	2.3
105.07028	7.5
107.04971	1.0
107.08601	7.5
109.02892	1.8
109.06518	1.1
109.10161	4.8
111.08076	1.6
115.03959	1.0
115.05468	1.1
117.07028	5.5
119.08581	7.7
119.10349	0.5
121.10119	4.4
123.04395	0.7
123.08067	0.6
123.11687	1.4
125.09648	1.5
127.03911	4.8
128.06233	1.9
129.07008	4.8
131.08557	7.1
133.10143	5.4
135.08058	0.7
135.11717	2.3
136.06187	0.7
137.09647	0.8
141.07010	3.0
142.07764	1.9
143.08554	6.8
145.04938	1.9
145.06480	0.6
145.10118	6.9
147.11674	3.9
149.13264	1.5
152.05721	0.7
153.07054	0.9
154.07767	0.9
155.08566	5.3
156.09409	0.8
157.10112	8.0
157.11284	0.6
159.11716	4.4
161.13301	1.4
162.07771	0.5
163.06068	0.6
165.07033	0.7
167.08569	4.5
168.09364	1.1
169.10126	7.9
170.10875	0.8
171.08167	0.6
171.11687	6.4
173.13275	2.9
175.14835	1.7
179.08580	1.8
181.10114	5.3
183.11710	7.7
184.07436	0.7
185.09750	0.7
185.13261	4.8
187.14825	1.9
191.08591	0.6
193.10132	2.5
195.11682	4.8
196.12422	0.7
197.13268	6.0
199.14830	3.3
201.16400	1.3
205.10211	1.0
206.10957	0.6
207.11748	2.0
209.13237	5.0
211.14796	4.0
213.14645	0.7
213.16408	2.1
219.11845	1.1
221.13304	1.9
223.14778	3.2
225.16415	2.9
227.17949	2.1
233.13420	0.6
235.14833	2.0
237.16444	2.7
239.17989	1.9
247.14847	0.7
249.16231	1.0
251.18083	1.3
253.19582	1.7
255.21489	0.6
263.17996	0.7
265.15894	0.6
265.19565	1.2
267.21124	0.8
293.19037	0.8
313.27451	4.1
323.24002	0.6
333.13345	1.3
334.13644	0.7
335.25705	3.3
336.26273	1.8
337.21750	0.6
337.25491	1.1
339.27084	0.9
349.25171	0.9
351.26782	0.9
365.28619	0.9
377.28415	0.7
425.18143	1.0
425.30966	0.6
426.18930	0.6
447.32199	0.6
457.33841	0.7
501.36002	1.0
515.37610	0.7
517.40479	4.1
527.37030	1.2
529.39899	1.0
535.41418	2.1
539.37439	1.3
541.39136	1.0
569.41217	0.6
573.43494	0.7
581.42426	0.7
591.43933	5.3
607.43335	2.9
609.45117	100.0
610.45203	3.7
621.44952	1.6
633.45313	1.1
645.45026	0.7
651.46320	1.9
686.39850	0.9
699.46094	1.6
704.40912	1.2
717.47162	2.1
735.48096	1.8
753.49579	2.8
771.50427	25.0
772.50696	1.2
785.83282	0.6
933.55603	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	932.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	5.1
67.05502	71.8
68.71446	1.8
69.03423	5.3
69.07066	25.1
69.79869	9.2
70.06591	3.4
71.04981	6.8
73.02896	2.9
73.06561	2.3
77.03910	2.6
79.05491	100.0
81.03414	17.9
81.07053	77.9
83.04980	20.7
83.08612	18.7
84.08157	2.3
84.44578	1.5
85.02898	10.4
85.06526	2.8
86.09711	2.1
87.04514	1.7
91.03950	2.9
91.05479	77.4
93.07042	90.3
94.07327	1.7
95.04964	28.1
95.08604	42.8
95.09174	3.4
97.02879	8.3
97.06521	21.8
97.09624	1.6
97.10172	11.2
99.08092	3.2
103.05476	3.5
105.04543	2.2
105.07027	60.9
107.04977	12.8
107.07870	2.6
107.08591	45.0
109.02890	2.9
109.06511	10.5
109.10160	14.8
109.52899	1.5
111.04460	1.7
111.08066	6.1
113.05901	1.5
115.05451	5.4
117.07027	24.1
119.08584	40.3
121.06499	7.0
121.10125	15.3
123.08064	5.5
123.11697	2.8
125.09629	10.5
127.03891	4.7
128.06210	4.4
129.05544	1.8
129.06982	20.9
131.04988	1.6
131.08565	21.1
133.06482	2.7
133.10132	31.0
135.08073	6.1
135.11713	14.0
137.09627	2.7
141.06961	2.7
143.08560	13.1
145.06503	3.7
145.10120	27.9
147.08037	4.5
147.11685	43.1
149.09631	14.4
149.13263	7.0
151.11176	3.6
154.78403	1.9
155.08539	3.2
156.09319	2.2
157.10103	7.2
159.08069	1.9
159.11678	13.3
161.09605	3.7
161.13229	14.2
163.11220	11.0
169.10127	4.1
171.11670	25.0
173.04431	2.4
173.13245	4.0
177.12787	4.5
179.14279	4.9
181.10066	2.1
183.11691	4.6
184.07373	2.4
185.13295	3.9
187.11186	3.0
187.14845	1.8
187.61076	1.8
189.11177	4.8
189.12755	10.1
197.13251	2.9
207.13780	20.8
208.48181	1.9
218.27722	1.6
227.12735	17.9
229.19508	2.6
239.17883	3.3
255.15773	2.5
257.18973	12.1
267.15771	1.8
269.17554	7.8
272.20078	1.7
275.20053	46.0
279.15878	1.9
280.17017	1.9
281.17465	80.4
291.19382	1.6
293.21167	6.7
331.22800	3.0
333.13315	4.6
349.23682	25.8
367.24857	3.8
381.72604	1.7
386.27045	2.5
417.77808	1.7
425.18060	2.1
435.27390	9.8
451.26901	8.4
457.29230	2.1
459.31064	1.7
461.28970	16.5
463.31415	2.2
475.30566	72.8
525.36194	1.7
537.35675	6.6
545.38745	1.6
555.36792	83.4
573.38031	9.6
598.20117	1.7
619.34167	5.6
666.55591	1.8
666.70453	1.7
699.39783	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	932.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	5.2
67.05503	53.3
69.03432	10.7
69.07065	24.8
69.93774	9.4
70.06595	16.0
70.50700	1.4
71.04975	4.7
72.08146	3.8
73.02916	1.7
77.03922	2.3
79.05490	62.8
81.03421	16.0
81.07053	62.6
82.07397	1.9
83.01321	3.2
83.04990	12.0
83.08614	14.8
84.04490	4.6
84.08128	7.1
85.02902	11.4
85.06524	3.5
86.09679	5.2
91.04903	3.1
91.05476	61.3
93.03407	5.3
93.07042	50.7
95.01335	12.2
95.04958	19.7
95.08606	30.9
97.02894	8.4
97.06536	14.5
97.10176	18.5
99.04429	2.9
99.08089	2.0
103.05446	3.8
105.03361	3.7
105.07025	47.0
107.04955	18.3
107.08589	39.6
109.02868	5.7
109.06503	10.3
109.10162	16.3
111.04391	2.9
111.08049	5.7
113.02354	1.7
115.05452	7.4
117.07004	26.6
119.04913	5.9
119.07779	3.0
119.08569	32.6
120.04446	4.3
120.08103	6.0
121.02837	3.4
121.06519	8.0
121.10123	16.4
123.04419	5.6
123.08048	6.4
123.11696	3.7
125.02355	4.0
125.09628	14.7
127.03905	5.3
128.06216	6.0
129.06993	18.7
129.10240	5.3
130.07758	2.4
131.04886	4.5
131.08562	29.8
133.06485	9.7
133.10130	26.9
135.04402	7.1
135.08047	8.5
135.11714	10.6
137.02296	3.3
137.05949	3.1
137.09593	4.5
138.05328	1.5
139.03850	2.6
141.01859	2.2
141.07013	11.9
141.10176	3.0
142.07800	2.6
143.08548	14.1
143.11760	2.4
145.06470	11.2
145.10117	22.4
147.04460	9.1
147.07988	7.4
147.11687	13.1
149.02350	7.5
149.05954	3.0
149.09625	13.2
149.13232	5.3
151.03961	7.5
151.11118	2.2
153.07002	3.5
155.03342	1.7
155.08554	12.6
157.06491	9.2
157.10092	12.0
159.04416	5.3
159.08017	6.2
159.11685	12.2
161.02356	2.6
161.05960	7.8
161.09625	5.5
161.13220	4.3
162.07610	2.5
163.03873	9.9
163.11215	9.6
165.01784	2.1
165.05478	4.3
165.07072	3.1
165.09142	1.8
166.07738	3.0
167.03285	2.1
167.08522	4.6
169.10077	12.1
171.04405	3.8
171.08035	6.3
171.10208	2.0
171.11588	9.8
173.05943	7.2
173.09557	5.4
173.13197	4.0
175.03928	8.7
175.07498	2.6
175.11147	3.5
177.05429	4.3
177.12730	4.8
178.07686	2.1
179.03392	3.3
179.08621	2.8
179.14323	3.3
180.09322	3.2
181.06363	3.8
181.10104	5.8
183.08012	4.4
183.11662	7.3
184.07341	2.3
185.06026	2.5
185.09546	4.0
185.13213	3.8
187.03918	3.2
187.07475	3.0
187.11148	5.3
187.14828	1.9
189.05461	10.1
189.09244	3.2
189.11180	10.8
189.12729	3.1
191.03456	2.0
191.08673	2.4
193.10152	2.4
193.12408	1.7
195.08051	3.0
195.11681	5.9
197.09627	5.5
197.13167	3.9
199.03835	2.7
199.07590	2.2
199.11090	4.4
201.05421	3.8
201.09077	3.2
201.12613	2.0
203.10728	2.6
204.08841	1.9
205.04985	2.9
205.12048	1.9
207.06488	2.1
207.11653	2.7
209.13217	2.2
211.11232	2.3
213.08981	2.3
213.12726	6.1
214.13289	2.1
215.10637	5.5
217.04890	6.3
221.04419	18.1
221.13283	1.9
223.11195	5.3
225.09076	4.9
225.12697	2.9
227.07120	2.1
227.10646	3.5
227.12764	29.8
229.14316	4.1
231.06535	3.2
233.11617	12.3
233.15468	1.7
235.06006	4.1
237.09032	2.3
239.10634	2.9
239.17838	1.7
240.13377	2.5
241.12263	9.9
243.10231	3.5
243.13731	2.4
245.13846	2.4
247.20389	2.0
251.10634	6.2
253.08775	3.2
255.10175	3.5
255.15910	6.7
257.19104	7.6
259.13266	7.3
261.11285	3.1
267.15994	3.3
269.11652	10.3
269.17447	18.1
275.17319	2.3
275.20090	31.1
277.10715	8.2
279.10153	2.7
284.12317	1.7
287.12790	14.2
289.10861	3.4
289.14307	2.1
293.21078	3.7
297.11160	8.3
303.12308	3.4
305.13828	5.6
307.15411	2.8
315.12280	24.4
323.14783	1.7
331.22733	2.1
333.13306	92.3
334.13632	2.2
349.23697	54.5
351.14386	9.8
367.24680	6.9
407.16910	10.9
425.18042	100.0
426.18454	3.2
443.19037	10.0
511.26886	2.3
513.35724	1.8
523.34174	3.8
527.25970	2.0
541.34973	6.6
557.72101	1.8
567.28845	2.3
577.26099	3.5
589.31610	1.8
595.27344	8.3
601.29614	6.0
603.31073	2.1
605.30011	8.0
607.32623	3.1
619.31232	30.0
623.29797	2.3
625.33868	2.4
635.30640	1.8
637.32080	10.8
663.34741	2.1
681.36554	10.4
699.25739	2.9
699.37415	54.8
700.37079	2.3
717.38306	27.2
735.39215	4.4
790.38916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	3.9
67.05502	75.0
69.03422	4.2
69.07062	22.0
69.60124	18.9
69.60533	5.6
71.04971	4.7
73.02893	4.4
75.58286	3.4
79.05488	49.4
81.03412	92.6
81.07048	65.4
83.04965	8.2
83.08612	26.6
85.02906	14.0
85.06522	2.8
91.03944	7.7
91.05470	50.2
93.06479	3.8
93.07036	60.4
95.04965	31.2
95.08047	5.0
95.08600	57.2
97.02872	10.6
97.06496	8.8
97.10152	7.4
99.08057	2.9
105.07027	33.3
107.04946	8.0
107.08575	31.4
109.06498	6.7
109.10170	23.2
111.04401	4.2
111.08072	4.6
117.06999	9.6
119.04948	2.6
119.08577	32.9
121.06489	4.0
121.10139	29.2
123.08046	5.5
123.11702	10.3
125.09561	6.0
127.03925	6.8
128.06180	3.0
129.07002	15.6
131.08521	19.8
133.06459	4.5
133.10118	19.7
133.66798	3.1
135.11674	15.7
137.09602	3.8
140.06992	2.9
143.08578	3.9
145.04933	6.4
145.10133	14.4
147.04274	3.6
147.07971	3.1
147.11673	20.4
149.09604	7.9
149.13248	7.4
157.10098	10.2
159.11688	10.3
161.13231	8.5
161.31323	3.1
163.05968	5.1
163.14769	3.2
173.13211	7.0
175.11197	7.5
175.14751	4.0
177.12770	3.0
177.16431	3.5
184.07327	6.1
187.14799	3.5
189.11246	5.4
193.12218	24.8
227.12726	6.9
235.13240	6.1
243.21075	5.5
261.22168	18.4
267.15909	100.0
291.47232	3.1
301.25122	6.4
309.16946	6.1
317.24918	6.6
325.24588	3.3
333.23953	3.8
335.25763	98.7
392.58398	3.2
421.25632	4.0
435.32639	5.2
453.33432	9.5
471.34607	6.9
527.37244	72.8
545.38354	62.6
563.39069	5.9
569.38080	9.9
623.39197	3.7
635.39362	4.6
722.74792	3.3
922.48083	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	3.2
67.05506	57.6
68.05838	0.6
68.49480	0.6
69.03427	2.8
69.07067	9.5
69.32733	5.6
71.04996	18.4
71.08624	0.6
73.02909	2.0
73.06564	0.6
79.05495	34.5
81.03420	2.2
81.07057	88.2
83.04990	3.8
83.08627	5.5
85.02906	8.5
85.06544	6.6
87.04498	1.1
91.03963	5.9
91.05483	24.2
93.07044	35.9
95.04970	4.8
95.08609	24.3
96.04509	0.8
97.02885	5.5
97.06538	3.5
97.10177	2.4
99.04417	0.6
99.08080	1.1
103.05528	0.6
105.04515	0.7
105.07029	16.0
106.07333	0.7
107.08600	19.6
109.06541	1.7
109.10157	11.9
111.08087	1.6
117.07004	5.4
119.08574	8.8
121.06523	0.8
121.10142	14.9
123.08090	1.3
123.11711	13.8
125.09645	0.7
126.14169	0.6
127.03934	1.5
129.07022	0.9
131.08572	9.5
133.10123	15.0
135.08028	0.7
135.11705	8.8
139.11238	0.6
143.08556	1.2
145.04987	1.7
145.10115	5.3
147.11691	4.0
149.09630	0.8
149.13248	5.9
151.11195	6.4
152.58763	0.5
157.10078	0.6
159.11682	6.1
161.13242	2.7
163.06049	2.0
169.12207	0.7
173.04549	0.6
173.13310	2.2
175.14859	1.2
177.12820	1.6
179.14360	0.8
183.13895	2.1
184.07263	0.7
187.13329	3.6
187.14845	1.3
195.13850	1.5
201.14771	0.7
203.07220	0.6
227.16376	0.8
235.95215	0.6
243.15961	0.7
243.21143	1.1
257.17612	1.0
261.22211	1.7
269.17477	4.7
301.20074	10.5
317.24701	1.2
335.25775	20.5
336.26340	0.7
358.31985	0.8
364.25931	0.6
411.32370	1.0
434.04520	0.6
437.34482	0.7
485.36182	1.6
503.37314	72.3
504.37650	2.6
517.39569	2.7
529.38934	16.2
547.40009	1.2
561.41522	100.0
562.41791	3.5
673.43439	0.9
705.45538	1.7
715.30670	0.7
920.49628	0.6
934.24445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01392	1.6
65.03958	1.6
65.98503	1.5
67.05505	69.7
69.03442	2.7
69.07064	10.1
69.66499	12.4
71.04995	18.1
71.32017	1.6
73.02901	2.2
79.05492	37.6
81.03395	3.6
81.07057	87.2
82.07406	1.9
83.04961	3.7
83.08635	10.0
85.02920	9.9
85.06540	8.0
85.54467	1.6
86.09712	2.7
88.17426	1.5
91.03955	5.8
91.05476	31.9
93.06474	2.5
93.07043	38.9
95.04972	5.7
95.08604	29.8
96.15057	1.5
97.02892	3.7
97.06528	5.6
97.10175	3.6
105.07037	18.2
107.08591	21.2
109.10169	13.6
111.08080	2.0
115.70083	1.8
117.07021	5.0
119.08569	6.6
121.10133	17.1
123.11691	11.9
124.99990	2.3
127.03929	2.5
131.08575	8.0
133.10141	18.2
135.11694	13.8
136.06209	2.1
142.38402	1.6
143.08493	1.9
145.04924	2.7
145.10149	6.2
147.11681	5.3
149.13257	6.1
151.11201	8.2
157.44431	1.7
159.11673	7.8
161.13298	2.4
163.05989	3.1
167.30200	1.6
173.13318	2.6
177.12770	3.5
184.07402	5.7
187.13269	3.9
227.16342	3.6
259.60440	1.8
269.17474	6.6
284.76419	1.8
301.20139	17.8
335.25769	18.0
485.35953	6.7
503.37299	86.7
504.37604	4.6
511.37628	2.1
517.38867	4.9
529.38910	26.1
547.40540	2.3
561.41522	100.0
562.41937	4.1
660.62097	2.0
920.49927	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	919.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98722	0.5
67.05499	2.3
69.03427	2.2
70.65508	0.6
71.04987	0.8
71.58404	0.6
71.58795	0.7
72.47656	0.6
73.02922	3.2
79.05490	2.1
81.03416	3.6
81.07063	2.7
85.02901	4.5
85.10165	0.9
91.03956	3.1
91.05478	1.4
93.07054	1.0
95.04977	0.7
95.08617	1.3
97.02892	4.7
100.07309	0.6
101.02412	2.0
107.08571	0.6
109.02922	1.1
109.10140	1.1
111.08030	0.6
115.03951	0.7
119.08620	1.0
121.10149	0.9
127.03935	1.6
149.09648	1.5
185.04201	1.1
192.00859	0.7
203.05341	1.0
214.54390	0.7
243.08473	1.2
267.42627	0.7
283.15253	2.5
313.27576	1.1
339.17569	0.8
347.09674	2.6
405.13742	5.2
497.30789	4.7
501.23026	10.1
540.01758	0.8
659.36011	5.4
663.28381	8.6
757.47107	1.7
874.38068	0.7
919.52313	100.0
920.52026	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	919.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	1.2
70.06571	0.4
71.04990	9.9
71.24837	0.3
71.25182	0.2
73.02881	0.4
74.09687	0.2
75.04442	0.8
81.03378	0.7
83.04964	1.8
83.37376	0.2
85.02900	15.4
87.04451	0.4
87.96494	0.2
88.31310	0.2
91.03889	0.2
94.47860	0.2
95.04919	0.4
97.01303	0.2
97.02891	1.2
99.04426	0.5
109.02847	0.4
111.00768	0.7
111.04462	1.2
113.13991	0.2
115.03922	0.2
117.05458	0.4
121.02843	0.7
123.04382	0.3
125.80550	0.2
127.03938	1.2
129.05476	3.7
137.02333	2.2
145.04884	0.6
147.04446	0.3
147.06490	1.2
149.02306	0.4
153.01808	2.0
153.05400	0.3
161.05977	0.2
163.03873	0.3
163.05972	0.4
165.01854	1.4
166.02568	0.3
171.02922	0.2
173.05948	0.3
183.02847	0.3
195.02937	0.2
201.05496	0.9
201.07321	0.2
204.82217	0.2
229.04936	3.2
239.09172	0.3
247.05968	0.5
257.04385	1.9
274.04675	0.6
285.03906	1.4
287.05496	3.5
303.04971	100.0
304.05392	2.0
315.04987	0.6
327.04947	0.2
345.05865	1.6
362.19662	0.2
369.05881	0.7
413.08701	0.6
431.09616	0.5
447.09451	0.3
449.10693	2.1
465.10269	27.4
466.10602	0.7
580.87866	0.3
611.15961	0.6
627.15771	0.4
703.58606	0.3
775.12256	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	919.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99770	0.3
69.03396	0.6
69.38142	1.7
71.04995	9.8
73.02870	0.8
75.04442	0.5
77.87851	0.2
81.03384	0.3
83.04987	1.8
85.02905	13.5
87.04463	0.2
91.03902	0.5
95.04939	0.5
97.02895	1.1
99.04423	0.2
100.84124	0.2
103.02531	0.2
109.02828	0.6
109.15586	0.2
111.00768	0.6
111.04453	1.6
117.05457	0.3
121.02830	0.6
123.04444	0.2
125.02209	0.2
127.03875	0.7
129.05487	4.1
135.18541	0.2
137.02338	2.3
145.04945	0.5
147.04396	0.2
147.06519	1.3
149.02289	0.4
153.01837	2.3
153.05457	0.3
161.05988	0.2
163.03851	0.4
163.06009	0.5
165.01811	1.6
166.02625	0.3
173.86115	0.2
183.02872	0.5
195.02896	0.3
201.05420	0.7
201.07532	0.2
219.02820	0.3
229.04968	2.6
239.09113	0.6
247.06033	0.6
255.08691	0.3
257.04462	2.2
257.10272	0.2
274.04736	0.5
275.11472	0.4
285.03943	0.9
287.05551	1.6
303.04990	100.0
304.05331	1.9
315.04953	0.9
327.05029	0.2
345.05991	1.4
369.06213	0.7
384.28900	0.2
413.08600	0.6
431.09854	0.4
449.10843	1.9
465.10315	28.6
466.10666	0.8
611.16254	0.5
627.15552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	1.2
68.99783	0.8
69.03430	3.4
69.54082	1.4
69.54490	0.3
70.06577	0.7
71.04973	0.8
73.02904	0.5
77.03922	0.4
81.03418	7.3
85.02903	5.9
86.09692	0.4
87.00818	2.0
89.03899	0.5
91.05479	12.6
95.04958	0.3
97.02883	2.2
98.20779	0.5
98.21446	0.4
99.04446	1.6
103.05467	0.3
105.01849	1.0
109.02872	4.1
111.00805	0.4
117.01817	0.6
117.03367	0.7
119.04938	20.8
121.02837	0.5
127.03920	5.1
129.01793	0.3
129.03316	0.4
131.04912	0.3
132.02042	0.7
133.02791	0.4
135.04413	0.6
136.05220	0.3
137.02333	5.3
145.02844	2.0
145.04922	1.1
147.04405	20.9
148.04831	0.3
149.02319	1.1
153.01819	1.9
157.03917	1.7
159.02866	1.6
161.05959	0.5
163.03874	0.9
164.04700	0.5
165.01839	1.2
171.02951	0.4
175.03900	36.1
176.04276	0.6
177.05458	4.4
179.07004	1.8
183.02872	0.4
191.06808	0.2
192.04143	0.7
201.05441	0.9
207.06519	100.0
208.06828	1.2
209.93758	0.2
210.11310	0.2
213.05667	0.3
219.06677	0.3
225.07550	0.4
229.04968	2.6
231.04993	0.4
247.06015	0.5
257.04474	1.6
271.06070	0.4
272.61539	0.3
274.04770	0.3
285.03821	0.6
291.08606	0.8
303.04980	65.2
304.05380	1.0
339.10626	0.3
345.05951	1.2
351.10718	6.3
369.11795	7.4
411.07385	0.4
448.77347	0.2
455.11868	0.3
671.15912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	1.3
68.05052	0.6
69.03439	0.8
70.06593	100.0
71.04985	0.5
71.58205	0.4
71.58622	0.8
72.71799	0.4
76.02220	2.0
79.05508	1.0
81.07057	1.3
84.04512	1.4
84.08140	0.9
85.02911	1.5
85.04029	0.7
86.09715	5.1
88.04002	2.2
91.05477	12.1
91.06012	0.9
91.47525	0.4
93.07046	0.8
95.87218	0.5
97.01134	0.7
97.02909	1.4
97.03996	0.8
97.07664	0.8
98.06056	1.1
102.05552	0.7
103.05506	2.4
105.07055	0.6
106.06563	2.0
107.04951	2.3
107.08557	0.8
109.07700	0.6
111.02642	0.5
112.07597	0.5
114.45101	0.5
116.01713	1.3
118.06543	27.6
119.04930	5.0
120.08103	6.9
121.06512	0.5
121.10114	0.5
123.02661	0.5
125.03500	0.9
125.07131	1.3
126.05511	0.8
130.04982	0.6
130.06514	1.3
130.08664	0.5
131.04922	0.8
131.08569	0.5
132.10208	1.9
134.06003	3.5
136.07584	13.4
137.06136	0.8
137.07091	3.5
138.07906	0.6
139.08664	1.3
142.03220	0.5
143.04521	1.6
144.08086	1.4
145.02885	0.8
145.06505	0.5
146.06007	72.5
147.04442	0.7
147.06346	1.1
148.07631	0.7
149.13300	0.7
152.08258	0.6
153.08997	2.9
157.09727	16.6
158.05998	0.7
159.09216	0.5
160.07529	0.7
161.05942	1.0
162.02165	2.3
162.05502	2.8
162.07645	0.8
164.07040	1.0
167.08191	2.0
172.07581	1.2
172.11156	0.6
173.05849	0.7
173.07130	1.7
174.05504	2.1
176.06987	0.6
177.05495	1.3
177.12755	0.5
179.04842	1.4
183.04111	0.5
185.09225	8.9
187.08678	0.6
188.07089	3.1
189.06660	1.0
197.10747	0.6
198.05490	0.8
198.09106	0.5
201.06616	2.0
203.08093	0.6
204.06526	0.6
213.06651	0.5
214.05002	1.2
216.06548	2.7
217.06142	1.2
217.09756	0.5
217.13356	4.5
224.10313	2.6
225.10303	0.8
231.07727	0.9
231.11232	0.5
233.05913	0.6
233.09207	2.7
243.07614	0.7
243.11322	1.4
251.10315	1.1
254.12645	0.5
258.12347	1.3
259.07117	1.2
260.05585	1.1
261.08716	45.1
262.09015	0.9
266.13730	0.7
269.17410	1.3
271.10593	0.5
277.08221	5.4
284.13922	0.5
286.10666	1.5
286.15591	3.2
287.05435	1.0
293.14972	5.7
294.12268	0.8
300.13419	2.7
301.11642	0.6
303.05075	3.8
304.16614	2.7
312.13284	1.6
329.11273	0.8
330.14490	9.0
334.19070	0.5
339.13345	0.6
381.17972	0.5
396.15591	1.3
408.17480	1.7
422.13455	3.8
445.17084	4.1
447.21579	4.5
464.17517	0.9
465.22437	1.8
474.16519	0.9
519.24237	0.7
553.22784	1.9
562.22583	0.9
576.25732	0.7
580.23950	3.4
588.20410	0.6
589.19116	0.9
594.26971	5.9
595.27411	0.6
606.22040	2.6
622.28107	0.7
650.27515	1.5
707.28888	1.1
719.29352	0.7
737.31482	10.8
738.31000	0.8
756.31531	0.6
918.38464	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	916.548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.9
66.91182	1.0
67.05501	56.2
67.35869	1.1
69.03416	3.9
69.06775	1.2
69.07067	11.7
71.01353	1.6
71.04969	1.7
71.08629	23.2
71.58437	1.9
73.02902	3.3
76.56160	1.0
79.05492	14.7
81.03402	5.2
81.07056	29.3
83.04976	3.1
83.08211	1.6
83.08620	15.8
85.02434	1.6
85.02903	21.8
85.06500	2.0
85.10177	14.8
87.04459	5.1
89.06031	1.9
91.03938	6.1
91.05470	7.7
93.07027	10.4
95.04945	3.0
95.08061	1.9
95.08610	25.3
97.02885	6.9
97.06516	2.0
97.10167	21.2
103.03910	1.3
105.07015	4.7
107.04932	3.3
107.08590	10.3
109.10150	44.1
111.08073	1.5
117.07055	1.6
119.08572	5.4
121.10129	2.8
123.11717	2.4
125.09628	18.0
127.03905	2.5
131.08556	3.3
133.10147	1.5
135.11667	2.8
137.09634	1.5
143.10703	2.8
145.04939	2.6
145.10107	2.4
147.07893	1.4
153.12756	1.8
155.10687	2.6
163.06001	3.3
163.11165	2.2
173.11746	11.2
184.07329	2.1
189.11212	1.6
191.10587	1.9
199.13260	12.4
199.38696	1.4
209.11655	1.4
223.13281	1.7
227.12752	6.9
229.14334	53.6
230.15407	1.5
239.23639	3.8
257.24710	2.4
260.63718	1.2
267.15918	2.1
283.15442	2.5
297.16986	4.6
301.16449	26.5
313.27344	100.0
314.27646	2.5
321.56213	1.3
335.25851	6.3
341.26993	2.4
360.18045	1.3
394.38684	1.3
437.35971	6.0
455.37335	17.0
467.37286	36.8
489.35294	2.3
505.38251	1.7
534.26550	1.3
539.39215	16.7
557.39368	5.5
638.77765	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	6.8
67.05505	73.1
69.07056	22.0
69.26465	5.6
71.58491	10.0
79.05493	100.0
81.03419	19.2
81.07061	75.1
83.04967	11.6
83.08622	14.4
85.02901	16.7
91.05477	98.3
93.07047	95.1
95.04963	25.9
95.08598	45.8
97.06557	8.6
97.10126	6.3
97.91900	5.9
100.56158	6.4
105.07032	81.3
107.04961	9.9
107.08571	30.3
108.16147	5.5
109.06528	7.8
109.10168	19.2
116.01710	5.6
117.07018	23.6
119.08589	70.9
121.10145	24.8
123.08086	8.8
129.06989	22.7
131.08586	36.8
133.10135	51.5
135.11681	11.2
141.06972	6.7
143.08556	23.2
145.10127	30.2
147.11685	66.1
149.13251	14.4
157.10139	16.1
159.11684	23.2
161.13284	36.9
163.11012	6.0
169.10185	8.1
171.11710	35.5
173.13268	15.9
175.14845	19.8
181.60519	5.9
184.07320	8.0
185.13226	17.7
189.12706	14.4
189.66862	7.7
192.98993	6.4
198.93503	6.1
207.11787	6.7
207.13800	17.9
241.19495	36.0
259.20578	71.7
279.15997	12.8
281.17444	74.6
297.17062	7.4
308.09152	8.0
331.22293	6.8
332.36203	5.3
333.24203	32.4
386.26776	7.9
483.34741	6.0
513.35083	7.0
539.37225	73.6
540.38519	6.3
557.38678	36.8
559.53394	6.9
583.74884	6.3
736.51135	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	914.568
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	13.6
69.03413	2.6
69.07059	7.8
70.06640	1.7
70.83226	3.6
71.08629	22.8
79.05498	8.2
81.03413	56.4
81.07050	17.9
83.04978	3.6
83.08607	17.2
83.61053	1.7
85.02882	7.4
85.10177	11.9
89.06002	1.7
91.05478	10.2
93.07030	6.3
95.04957	16.1
95.08595	19.4
97.02908	6.9
97.10162	4.9
105.07022	9.5
107.04952	4.2
107.08570	3.5
109.06557	1.6
109.10166	6.6
111.08052	3.7
119.08566	10.7
121.06490	2.5
121.10117	5.1
123.04410	2.9
123.11681	2.4
129.06992	6.0
131.08539	6.2
133.06490	2.2
133.10146	3.5
142.07756	2.7
145.04924	1.9
145.10089	2.0
147.11681	4.6
149.09644	3.3
157.10124	6.5
163.05952	3.2
163.11174	1.6
165.12726	1.8
175.11186	6.1
193.12227	22.6
235.13202	2.1
249.14902	1.8
257.24704	2.0
259.13409	2.5
267.15918	99.8
273.14767	1.9
301.14404	2.3
309.16895	3.3
313.27359	100.0
314.27570	2.0
452.55609	1.7
505.38864	76.9
506.39200	1.8
547.39899	5.0
601.41321	2.6
631.41559	1.8
688.49896	2.3
741.61395	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	15.0
69.03419	2.1
69.07066	8.1
70.75137	5.0
71.04980	1.9
71.08633	24.5
73.02922	1.7
78.93661	1.4
79.05488	11.0
80.67631	1.6
81.03416	61.1
81.07047	20.6
83.04991	2.9
83.08609	17.5
85.02884	5.7
85.06557	1.9
85.10177	12.4
89.05967	2.0
91.03943	1.9
91.05476	11.9
93.07044	4.7
94.74193	1.6
95.04964	17.9
95.08613	15.5
97.02898	3.5
97.06540	2.1
97.10153	4.7
105.07037	7.9
107.04956	4.4
107.08583	3.0
107.82872	1.7
109.06537	2.7
109.10133	9.1
111.04351	2.2
111.08067	4.1
118.18208	1.5
119.08595	8.3
121.10175	4.7
122.88283	1.5
123.04363	2.4
123.11696	3.1
129.07002	7.4
131.08574	7.4
133.06537	1.9
133.10152	2.4
135.08925	1.9
135.11700	1.5
142.07857	1.7
142.19217	1.8
147.11670	6.4
149.09610	4.6
157.10126	7.3
163.11194	2.4
175.11171	6.9
179.80359	1.8
184.07358	3.4
193.12238	24.3
241.39577	1.7
259.13461	1.9
267.15909	100.0
268.16556	2.2
284.08212	1.8
301.14236	2.4
313.27332	91.6
314.27631	3.4
403.67355	1.9
453.09375	2.0
455.42874	1.7
472.03326	1.7
505.38855	84.3
506.39157	2.5
547.39758	4.7
552.96735	1.7
601.40375	2.2
631.42377	2.6
781.52649	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.3
67.05473	0.4
69.03415	3.8
69.07036	0.4
69.34969	3.6
70.06574	1.1
71.01293	0.4
71.04975	0.8
72.04512	0.7
72.08155	8.9
73.02908	1.7
77.03910	0.4
79.05148	0.3
79.05493	4.5
81.03416	2.8
81.07057	2.8
83.04976	0.8
84.04510	2.1
84.05600	0.4
84.08121	0.6
84.79496	0.4
85.02908	5.8
85.04019	0.7
86.09686	0.8
86.48922	0.4
89.10771	1.0
91.05479	11.2
93.06480	0.7
93.07041	11.4
93.07630	0.7
95.04947	1.5
95.08593	1.3
96.04468	0.8
97.02885	4.7
97.07638	1.6
98.06046	1.5
99.04420	0.8
103.03955	0.4
105.04507	0.4
105.07020	1.3
107.04929	0.5
107.08588	2.2
109.02861	1.2
111.04438	0.7
114.10286	18.0
115.03894	1.0
115.08701	2.4
117.03368	0.4
118.95029	0.4
119.04941	17.9
119.08564	0.8
121.06536	0.6
121.09322	0.6
121.10143	8.0
121.61194	0.4
123.11678	1.6
126.05502	1.1
127.03914	1.7
127.04884	0.4
131.08565	0.8
131.12903	1.7
137.05940	1.0
138.10237	0.4
139.08643	1.1
139.11165	0.3
142.81046	0.3
144.06577	2.4
145.02838	2.3
145.04871	0.6
147.04404	100.0
148.04768	1.4
149.09605	2.1
150.16290	0.3
151.11136	0.7
155.12901	1.1
156.11287	2.3
157.10876	0.5
159.09262	0.4
162.07614	7.0
162.93437	0.4
163.07932	0.6
167.07137	0.5
175.03986	0.6
177.05464	3.8
197.13940	0.4
198.12340	0.6
204.08788	0.4
217.13361	5.8
218.11771	4.4
235.14441	1.4
257.16058	0.4
260.13965	5.9
277.16510	3.9
287.05396	0.5
294.11865	1.4
294.36118	0.3
301.16678	0.6
302.15027	1.5
303.04965	0.6
308.13394	0.4
319.17612	0.5
341.31195	0.4
343.17853	0.4
344.16235	0.7
355.68219	0.4
404.72314	0.4
426.16281	0.8
468.34854	0.4
545.28113	0.4
570.28571	0.8
587.30853	1.1
589.32550	1.3
605.32172	0.9
626.14307	0.3
680.45490	0.4
686.11188	0.4
749.36389	1.2
751.38104	3.2
913.42871	56.4
914.43512	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	912.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	1.3
68.05010	1.0
69.03426	14.7
69.07060	0.7
70.06586	6.0
71.01337	1.3
71.04971	0.8
71.58262	0.7
72.04513	9.8
72.08139	1.1
73.02914	20.6
75.04472	0.7
79.05476	1.1
80.05002	1.1
81.03417	3.0
81.07057	2.7
82.06568	0.5
83.04958	0.8
84.04502	12.3
84.08131	1.0
85.02900	8.4
86.06075	0.9
86.09676	0.9
87.04453	1.4
88.13404	0.4
91.05478	1.5
93.07036	1.6
95.04932	1.0
95.08610	3.4
96.04481	6.0
97.02887	19.7
98.06050	3.0
99.04436	2.2
102.05534	0.6
103.03942	1.0
103.05456	0.5
105.07008	1.6
107.04941	0.6
107.08573	2.2
108.04454	0.7
109.02850	0.6
109.10147	1.5
110.06010	1.1
111.04432	1.4
114.05518	1.4
115.03922	11.1
119.04907	1.1
119.08575	2.3
121.06416	0.4
121.10120	1.6
122.73305	0.4
123.11681	0.9
126.05505	6.3
127.03898	3.1
129.05469	0.7
129.06438	0.4
129.10207	0.5
130.06522	0.8
131.08554	1.1
133.04938	2.2
133.10104	1.0
135.11676	1.5
137.05960	1.6
137.13220	0.8
138.05470	0.5
143.08554	1.3
144.06555	8.4
145.02869	0.5
145.04936	1.3
145.10101	1.2
147.04393	1.4
147.07976	0.6
147.11673	1.4
148.05090	0.5
150.05516	0.5
155.08246	0.4
156.06548	0.5
156.09267	0.5
157.10075	1.3
159.08020	0.5
159.09218	0.7
159.11674	1.0
161.13225	0.7
162.07607	100.0
163.03929	0.5
163.07864	1.4
163.14861	0.7
165.05428	0.5
167.07011	1.6
167.08325	0.5
167.41052	0.4
169.04999	0.5
169.10043	1.1
171.11682	1.0
173.13220	1.2
174.07661	0.7
177.05469	0.9
180.08626	2.2
181.04930	0.9
183.11647	1.0
185.09763	0.4
185.13225	1.3
186.07587	0.9
187.11157	0.6
187.14835	0.5
189.09131	0.5
189.16260	0.4
191.07018	1.1
191.17917	0.9
197.13228	0.7
199.14738	0.6
201.12671	0.4
203.17944	0.8
204.08652	3.8
207.06383	0.6
208.87607	0.4
211.05997	4.3
213.16521	0.6
221.18678	0.4
225.16199	0.5
229.07066	2.0
240.08641	0.5
243.76447	0.4
258.09695	4.1
276.10794	5.5
287.15851	0.4
294.11807	26.7
308.13354	0.8
312.12900	0.9
315.05048	0.4
330.10754	0.5
336.12793	0.6
359.23209	0.5
381.01804	0.4
390.13821	0.8
408.15161	1.2
426.16031	22.4
427.16272	0.6
433.30978	1.0
440.17395	0.7
451.31979	5.8
468.64041	0.5
469.33069	4.5
480.22662	0.4
487.34146	0.7
648.40900	1.5
780.45441	0.6
912.48846	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47071	3.7
70.02866	0.8
70.96008	0.4
76.03961	0.5
79.05434	0.4
81.03304	0.4
81.06998	0.5
84.04389	1.7
86.09569	0.5
89.39339	0.4
91.05422	0.5
93.06992	0.6
98.20734	0.5
99.05467	1.2
101.56225	0.4
109.07558	0.6
120.08074	0.4
130.04915	0.7
145.06007	0.9
177.03169	0.7
184.07219	0.5
237.27765	0.4
288.06406	1.2
289.63031	0.4
372.06158	0.4
388.16614	0.5
401.17633	1.1
402.18094	0.9
403.19040	2.1
404.20111	0.6
415.19336	1.3
416.19937	1.5
417.20981	3.4
418.21213	2.0
419.21796	0.5
429.16415	2.1
430.17761	1.6
431.18573	4.0
431.22778	2.0
432.22870	1.3
433.23953	10.3
434.24136	0.8
443.18463	1.5
444.18991	5.4
445.19766	9.0
446.20233	2.3
457.20230	1.0
458.20856	1.2
459.21762	62.7
460.22495	14.1
461.23419	8.1
471.21686	0.8
473.23407	4.5
474.24237	0.9
476.21841	0.6
477.17264	1.1
487.20782	1.7
487.25034	1.7
488.25406	0.5
489.23227	0.5
491.18613	0.9
491.24707	0.9
492.25449	0.8
493.20724	0.6
499.21490	0.6
501.22806	0.8
503.24240	0.6
504.25430	0.4
505.27032	2.1
518.24304	0.4
519.23596	10.5
531.23828	3.9
532.24115	1.1
533.25415	1.0
546.26111	3.6
547.27057	41.1
548.27277	2.7
551.21356	0.9
559.23914	0.6
563.26440	1.7
573.24249	0.5
574.25677	4.2
575.26062	0.9
576.23560	1.2
577.24219	0.7
579.24237	4.4
591.25903	4.8
605.27490	1.0
606.28363	100.0
607.29126	53.8
608.28906	2.5
639.26251	3.5
783.31830	1.8
852.33838	1.1
880.33008	1.1
912.35791	9.5
912.49658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	0.5
67.05493	1.4
68.05010	0.7
69.03425	7.8
69.07068	0.6
70.06567	1.4
70.25258	1.2
71.01337	0.9
71.04987	1.1
72.04511	8.6
73.02912	18.6
75.04047	0.6
75.04475	11.3
79.05466	1.0
80.05004	0.9
81.03416	1.3
81.07054	2.2
83.04975	7.3
83.08601	0.5
84.04500	11.3
85.02901	9.2
85.06516	0.4
86.06068	0.5
87.04464	1.0
88.03979	0.4
91.05479	1.0
93.07022	1.5
95.04956	1.0
95.08607	3.4
96.04488	4.0
97.02886	12.0
97.06518	0.3
98.06033	3.1
99.04444	0.7
100.03963	0.4
101.06007	0.6
102.05497	0.3
103.03937	0.9
105.07017	1.1
107.04932	0.3
107.08588	2.2
108.04457	0.8
108.40623	0.2
109.02882	0.5
109.10178	1.5
111.04433	8.3
113.05969	1.5
114.05502	1.3
115.03162	0.5
115.03922	7.4
117.07034	0.3
119.08585	1.4
120.04432	0.3
121.06448	0.3
121.10154	1.9
123.04400	0.4
123.11697	0.9
126.05512	5.6
127.03903	2.5
128.07028	0.3
129.05467	6.7
129.06961	0.5
131.07014	1.0
131.08572	0.9
133.04977	2.0
133.10123	0.9
135.11714	1.4
136.06146	0.9
137.13187	0.8
138.05434	0.4
139.03934	0.4
143.08537	0.6
144.06552	7.9
145.04948	1.4
145.10115	1.3
146.25821	0.3
147.06552	1.5
147.11688	0.6
149.04483	0.4
149.13245	0.6
153.05428	0.5
156.06731	0.3
157.10127	0.8
159.11684	0.9
161.13242	0.6
162.07605	100.0
163.07890	1.1
169.04938	0.8
169.10094	0.3
170.10837	0.3
171.11711	0.4
173.13342	0.4
175.14896	0.4
177.16350	0.7
179.07043	0.6
180.08635	2.7
185.13222	1.0
186.07631	0.6
187.05952	0.3
187.14763	1.2
189.09106	0.3
189.16386	0.7
191.17937	1.6
197.13254	0.3
199.06044	0.3
199.11107	0.3
199.14810	0.8
201.16425	0.8
203.17897	0.8
204.08667	3.4
205.19522	0.6
212.09085	0.3
213.16325	0.4
215.14349	0.3
217.07082	0.3
217.19641	0.4
221.43672	0.3
225.07582	5.6
238.38042	0.3
243.08640	1.5
245.15479	1.3
246.09731	0.8
254.10211	0.4
257.15341	0.4
258.09708	1.0
261.09720	1.1
272.11325	1.7
275.16385	0.3
276.10468	1.2
279.10779	0.5
290.12366	3.8
294.11795	4.9
308.13373	14.1
309.13815	0.3
326.14313	0.6
336.12912	0.5
389.31955	0.6
391.33670	0.4
407.33121	1.0
422.16583	1.0
435.32648	3.2
440.17624	15.4
441.17960	0.3
453.33658	4.7
458.18683	1.0
471.34225	0.3
594.56604	0.3
632.41437	0.7
888.31537	0.3
910.50031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33089	1.6
65.03938	3.7
67.05503	53.4
69.03420	5.5
69.07066	13.3
70.06590	2.6
70.17160	7.6
71.04982	4.4
71.54026	1.7
73.02907	4.5
79.05068	2.7
79.05495	40.7
81.03416	57.7
81.07053	56.6
83.04978	14.0
83.08616	23.7
85.02424	2.5
85.02902	30.7
85.06549	2.6
86.09704	7.8
91.03944	6.7
91.05479	43.8
93.07038	45.8
93.07627	2.4
95.04972	26.6
95.08600	38.5
97.02892	10.2
97.06522	5.6
97.10159	5.1
99.04457	2.2
105.07021	28.9
107.04954	5.4
107.08586	22.2
109.06496	5.4
109.10161	15.5
111.04431	1.6
111.08066	9.8
113.06072	1.9
115.05455	1.7
117.07003	7.7
119.08582	22.9
121.06502	3.1
121.10131	23.0
123.08044	3.5
123.11687	5.7
125.00014	4.2
125.09666	3.9
127.03880	3.8
127.76194	1.5
129.07028	9.4
131.08559	17.9
133.06447	3.5
133.10121	18.1
135.11636	8.5
137.09590	2.4
142.07774	2.7
143.08568	2.1
145.04927	3.9
145.10130	7.7
147.08043	2.3
147.11674	16.9
149.09596	4.9
149.13254	4.6
157.10092	11.0
159.11714	5.0
161.13261	3.3
163.06046	3.8
163.14917	1.7
165.12704	3.5
171.11597	1.9
173.13208	4.3
175.11172	14.7
184.07333	12.2
185.13298	2.4
187.14825	1.6
193.12239	44.4
201.37082	1.6
211.13281	63.9
219.17334	1.9
227.12643	2.5
243.21130	3.4
261.22180	11.8
267.15884	21.8
282.74612	2.0
285.16959	85.5
301.25317	2.1
317.24600	3.7
335.25784	74.5
336.26227	2.0
402.19748	1.8
410.42752	1.9
421.98996	1.7
435.32660	3.3
453.33710	2.7
462.25565	1.7
527.37317	16.8
545.38336	100.0
546.38660	4.1
714.21381	2.2
760.86304	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	3.1
67.05503	41.9
69.01974	1.0
69.03418	3.9
69.07064	10.6
69.84026	1.6
69.84313	6.1
70.91756	0.8
71.04983	3.4
73.02908	3.6
79.05489	33.2
81.03414	38.1
81.07053	44.7
82.07413	1.3
83.04979	8.2
83.08621	17.2
85.02901	24.6
85.06521	2.2
86.09701	2.0
91.03963	6.4
91.05476	29.7
91.06016	2.0
93.07039	34.4
95.04971	19.0
95.08606	28.4
97.02895	6.9
97.06532	4.4
97.10178	4.1
99.08111	1.1
105.04469	1.1
105.07027	20.0
107.04964	4.2
107.08593	18.4
107.13517	0.9
109.02803	1.3
109.05862	0.9
109.06534	4.3
109.10162	10.6
111.04424	1.3
111.08100	7.2
117.07022	4.7
119.07807	0.9
119.08576	18.7
119.09366	1.8
121.10142	17.3
121.11012	1.1
123.08095	1.9
123.11713	3.7
125.09601	1.8
127.03889	2.2
129.07014	7.7
131.08565	12.6
133.06493	2.5
133.10130	12.7
135.11658	5.5
137.04045	1.1
140.86430	1.0
142.07799	2.8
143.08566	1.5
145.05002	1.8
145.10106	6.2
147.07961	2.1
147.11676	12.7
149.09634	3.8
149.13235	3.9
151.11188	1.5
157.10115	7.8
159.11729	3.3
161.13319	2.4
163.06010	1.4
163.11215	1.1
163.14799	1.8
165.12759	2.0
173.13251	3.7
175.11166	7.8
175.14835	1.1
184.07327	2.9
185.13290	1.0
187.14909	1.0
193.12228	24.7
193.13872	1.8
211.13284	33.8
243.21051	2.4
249.14832	0.9
261.22110	8.7
267.15872	10.1
269.17358	1.0
285.16956	43.2
309.30188	1.0
317.24799	2.5
335.25797	68.9
336.26129	2.5
435.32455	2.0
453.33521	2.0
527.37286	12.3
545.38336	100.0
546.38434	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	903.276
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.3
67.05493	0.3
68.99810	0.3
69.03435	2.2
69.55544	0.9
69.55964	0.3
70.06582	0.5
71.01335	0.5
71.04993	12.5
72.08159	0.2
73.02918	1.6
75.04488	0.9
79.05505	0.2
81.03402	0.7
83.04983	5.3
84.08125	0.2
85.02904	18.4
86.09714	0.3
87.04461	0.6
90.28652	0.1
91.03983	0.2
95.04961	1.2
97.02909	1.1
97.06540	0.3
98.21456	0.3
99.04453	1.0
101.05993	0.3
103.03883	0.1
107.04949	0.2
107.73276	0.2
109.02859	0.6
111.00819	0.5
111.04445	5.2
113.02265	0.1
113.06033	0.7
117.05495	0.8
121.02853	0.5
121.06489	0.3
123.04443	0.5
123.88371	0.1
127.03915	1.1
129.05481	5.2
131.05002	0.1
135.04445	0.3
137.02341	2.5
137.05962	0.3
139.03860	0.3
145.04968	0.3
147.04463	0.2
147.06519	2.1
149.02354	0.3
149.06023	0.3
150.96341	0.2
153.01842	2.6
153.05481	1.3
157.04947	0.6
159.06548	0.2
161.05968	0.3
163.03896	0.5
163.06000	1.0
165.01834	1.6
171.06525	0.5
173.06050	0.2
183.02863	0.5
183.04402	0.2
183.06563	0.3
187.03929	0.4
190.84334	0.2
191.03435	0.2
193.08571	0.2
195.06549	0.2
201.05473	1.3
201.07596	0.4
203.06853	0.2
205.04970	0.2
213.07623	0.4
219.02861	0.2
219.06619	0.2
221.08032	0.2
229.04977	3.0
239.03436	0.2
239.09142	2.5
247.06076	0.5
255.08565	0.2
257.04437	2.0
257.10205	0.9
274.04675	0.6
275.11328	1.0
285.03958	1.3
287.05353	0.3
293.12247	0.7
302.04166	0.2
303.04984	100.0
304.05408	1.4
315.04984	1.5
316.05609	0.2
327.04996	0.4
341.06625	0.4
345.06049	2.9
369.06033	0.8
395.07632	0.7
413.08636	1.3
427.54016	0.2
431.09775	0.8
449.10782	4.0
465.10324	2.0
595.16589	0.5
611.15753	0.6
706.39398	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	902.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79762	1.1
65.03916	1.5
67.05502	35.7
69.03422	1.5
69.07064	10.5
69.40253	1.2
70.06584	2.0
71.04983	2.7
71.08613	1.7
71.57838	2.5
71.58258	1.2
73.02918	1.9
79.05489	28.6
81.03403	5.5
81.07054	35.3
83.04982	2.5
83.08619	9.5
85.02890	3.1
86.09716	2.4
91.03928	1.8
91.05476	17.0
93.07039	37.2
95.04966	4.9
95.08604	38.9
97.02880	4.7
97.06516	2.8
97.10226	1.6
99.04457	2.0
105.07018	12.0
107.04947	5.0
107.08590	26.6
109.06464	2.0
109.10138	9.4
111.08032	1.4
117.07018	6.6
119.08566	11.9
121.06502	2.6
121.10141	16.8
123.11680	2.3
125.05962	2.2
131.08563	4.3
133.10110	6.9
135.11687	32.5
136.06184	43.9
145.10120	18.9
147.11687	3.4
149.13266	3.5
159.11682	3.3
163.06085	2.1
163.11191	33.4
171.83627	1.3
173.13263	1.7
181.12270	6.6
184.07347	2.8
193.12279	2.0
209.11800	1.5
227.12775	48.4
243.21066	1.9
261.22107	8.0
267.15906	3.1
283.15396	56.8
284.15762	1.5
313.27399	2.6
313.59622	1.3
317.24728	2.2
335.25800	99.2
336.26111	4.6
337.26590	1.1
342.47623	1.2
346.18777	2.7
386.98407	1.4
444.19205	1.4
445.20026	1.4
507.39365	1.4
543.36792	100.0
544.36969	4.2
557.85486	1.3
646.23749	1.7
658.45795	1.9
676.46313	11.6
705.41052	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	900.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.6
66.00604	0.9
67.05501	40.2
67.28170	0.9
69.03413	5.1
69.07063	14.8
71.01350	1.3
71.04995	2.4
71.08630	17.6
73.02888	1.9
79.05490	26.3
81.03414	58.4
81.07052	38.2
83.04970	4.1
83.08143	1.6
83.08618	20.4
85.02899	9.0
85.06529	1.3
85.10168	9.9
91.03941	3.8
91.05474	29.1
93.03400	1.9
93.07038	23.5
95.01315	5.3
95.04966	24.4
95.08604	33.8
97.02881	5.5
97.06527	4.6
97.10162	6.9
98.20772	2.2
99.08086	1.7
103.05426	1.8
103.07529	1.3
105.03386	1.8
105.07027	17.5
107.04940	7.2
107.08595	12.9
109.02851	2.7
109.06499	3.8
109.10147	13.7
111.04474	2.1
111.08070	5.9
111.11725	1.5
111.54581	1.0
115.05433	2.5
117.07003	8.5
119.04913	3.0
119.08571	16.7
121.02824	1.0
121.06491	3.4
121.10133	11.7
123.04402	4.0
123.08088	3.2
123.11710	4.7
125.02324	1.7
127.03898	2.4
128.06230	2.2
129.07002	12.5
131.04890	3.1
131.08553	14.8
133.06480	4.3
133.10104	8.6
135.04398	1.5
135.08038	2.4
135.11673	5.8
135.28137	1.1
136.06242	1.5
137.09599	2.1
137.13255	1.7
141.06989	2.8
142.07774	2.5
143.08575	4.8
145.04953	1.5
145.06465	5.8
145.10117	8.3
147.04405	3.7
147.08051	4.4
147.11673	9.7
149.02354	3.1
149.05925	1.2
149.09634	3.7
149.13268	2.8
151.03922	3.0
155.08540	5.6
157.06497	2.9
157.10139	11.9
159.04434	1.6
159.08087	2.5
159.11705	4.0
161.02310	1.2
161.05995	3.2
161.09639	1.6
161.13289	1.7
163.03880	3.5
163.05994	2.3
163.11177	2.2
163.14778	1.0
165.01865	1.8
165.05551	1.5
165.06966	1.7
165.12740	1.7
167.08585	2.9
169.10088	3.2
171.08014	3.5
171.11670	3.8
173.05959	4.3
173.09654	3.0
173.13239	3.5
175.03896	2.9
175.07503	1.3
175.11169	7.3
179.03540	1.2
179.08543	2.5
181.10078	3.1
183.08041	1.9
183.11668	3.2
184.07332	2.3
185.06007	2.0
185.09575	1.7
185.13284	3.0
187.03844	1.3
187.07559	1.1
187.11198	2.7
187.14781	2.2
189.05467	3.2
191.03366	1.9
193.10387	1.9
193.12225	21.0
195.11690	2.2
197.09509	1.9
197.13181	2.1
199.03932	1.3
199.07617	2.1
199.11188	1.5
199.14874	1.7
201.05486	1.4
201.09045	1.5
202.24779	1.0
209.04395	1.7
211.07491	1.1
213.05385	1.3
213.12808	1.7
215.10640	1.3
217.04997	2.9
221.04387	9.0
223.11169	2.7
225.09099	2.2
227.10678	1.5
233.09778	1.1
233.11620	5.0
235.05875	2.0
239.23796	1.2
241.12144	5.4
243.10187	2.3
243.13760	1.3
243.21008	1.9
251.10544	1.9
254.33018	1.1
255.10094	1.8
259.13342	5.3
261.11285	1.7
261.22104	2.5
267.15897	98.9
268.16269	1.1
269.11752	5.6
273.15103	1.2
277.10648	1.8
279.10229	1.9
287.12787	5.8
289.14490	1.0
297.11121	3.2
301.14307	2.2
305.13968	2.0
309.16937	1.8
313.27344	100.0
314.27759	2.9
315.12228	9.9
319.15436	1.3
333.13309	39.6
333.24188	1.2
334.13718	1.6
335.25812	42.7
335.29871	2.5
336.26031	2.4
351.14322	2.4
407.17191	3.6
425.18045	71.0
426.18381	4.1
427.19861	1.3
435.32498	2.6
443.19019	1.9
455.31573	1.1
457.22815	1.1
486.35544	1.2
505.38864	83.4
506.39120	3.8
509.36459	1.7
523.39569	1.5
527.37378	13.8
528.37744	3.3
529.39124	1.4
547.39734	4.6
557.32281	1.6
575.33478	2.1
593.34424	4.4
611.35736	5.2
629.36267	1.5
631.41815	1.9
667.38391	5.7
685.39563	22.4
686.39423	3.2
703.40668	9.0
704.40417	2.1
769.73218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.5
67.05502	35.9
69.03394	1.2
69.07067	7.0
71.04976	1.4
73.02914	1.5
79.05491	38.3
79.83870	1.0
81.03408	4.1
81.07053	32.8
83.04964	7.0
83.08618	3.3
85.02906	3.6
85.06541	1.6
87.04535	1.2
91.03948	1.3
91.05473	31.7
91.06016	2.2
93.07040	39.2
95.04961	11.1
95.08604	24.1
97.02885	1.8
97.06525	3.6
97.10168	1.8
102.15376	0.9
105.07022	20.7
107.04925	2.3
107.08592	15.8
109.06516	3.5
109.10165	8.4
111.08047	1.2
117.07025	6.8
119.08574	11.6
120.06578	1.0
121.06469	1.7
121.10148	8.4
123.08067	2.4
123.11720	1.2
129.07034	5.8
131.08527	5.1
133.10114	8.6
135.11649	5.6
143.08554	4.0
145.10100	5.8
146.46159	1.2
147.08069	1.5
147.11676	16.7
149.09714	1.1
149.13258	2.7
159.11678	3.0
161.13266	5.9
163.14821	1.2
171.11708	9.7
173.13277	2.2
187.14832	1.4
189.12738	3.8
201.16321	1.4
207.13765	10.2
243.20935	1.3
261.22101	3.3
279.15945	1.5
281.17468	39.4
286.97418	1.1
308.21985	1.2
335.25800	35.9
386.26883	2.8
541.38867	100.0
542.39404	2.7
576.55334	1.2
738.52979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.494
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	3.2
67.05503	46.7
67.22633	0.7
69.03419	2.4
69.07067	11.4
69.37907	1.6
69.38322	5.1
71.04982	2.3
71.08623	2.0
76.78281	0.8
77.03363	0.6
77.03926	0.9
77.89046	0.7
79.05492	34.9
81.03411	7.2
81.07054	42.2
83.01337	1.1
83.04967	3.6
83.08599	7.2
85.02895	2.9
85.06539	1.3
85.10173	1.7
91.03951	1.2
91.05476	24.9
93.03398	1.0
93.07039	33.0
95.01305	4.2
95.04948	8.0
95.08602	30.3
95.09065	0.5
97.02879	2.8
97.06522	3.2
97.10149	2.7
101.02334	1.0
103.05433	2.1
105.03362	1.5
105.04511	0.9
105.07026	17.3
107.04967	5.3
107.08578	14.2
109.02860	2.3
109.06510	2.5
109.10145	13.4
111.04397	1.1
111.08067	2.1
115.05450	2.7
117.07018	10.3
119.04926	2.6
119.08580	10.8
121.02850	1.9
121.06493	2.8
121.10128	13.8
123.04430	2.8
123.08058	1.9
123.11729	4.4
125.02339	1.6
125.09550	0.9
127.03905	1.3
128.06242	1.7
129.06993	10.3
130.07794	0.9
131.04909	2.2
131.08568	12.4
133.06482	4.7
133.10118	8.8
135.04413	3.4
135.08061	1.3
135.11699	7.5
136.06197	1.0
137.02309	1.2
137.06084	1.1
137.09586	1.5
139.03903	1.0
141.06982	4.0
142.07788	1.3
143.04903	1.0
143.08565	6.4
145.02840	0.8
145.06470	5.3
145.10121	7.9
147.04413	4.1
147.08044	2.1
147.11632	4.5
149.02342	3.5
149.05978	1.6
149.09529	1.2
149.13292	2.5
151.03911	3.9
151.11159	0.7
153.07027	1.6
154.07729	1.2
155.08533	5.4
157.06519	3.0
157.10110	5.5
159.04379	2.2
159.08075	2.1
159.11685	5.0
161.02307	1.2
161.05954	4.2
161.09615	1.1
161.13251	1.9
163.03920	3.8
163.07466	0.7
163.11229	1.8
163.14833	1.5
165.01846	1.7
165.05530	1.7
165.06894	1.3
167.03429	1.4
167.08551	2.6
169.06430	1.2
169.10136	4.0
171.04344	1.2
171.08017	3.6
171.11726	3.7
173.02469	1.1
173.05974	5.3
173.09607	1.8
173.13254	3.2
175.03961	4.1
175.07542	1.0
175.11147	1.6
175.14842	0.8
177.05444	1.6
178.07832	0.8
179.03415	1.1
179.07167	0.9
179.08566	1.3
181.05042	1.1
181.06520	1.0
181.10107	2.6
183.08139	1.9
183.11633	3.4
184.07346	1.2
185.05957	1.4
185.09616	2.9
185.13228	1.9
186.50121	0.8
187.03949	1.2
187.07484	1.8
187.11166	2.4
187.14830	1.5
189.05447	5.0
189.09093	0.8
189.12820	1.0
191.03377	1.6
191.07043	0.9
193.10097	0.8
193.12209	2.4
195.08049	1.1
195.11661	2.5
197.09592	1.8
197.13318	1.5
199.03836	1.8
199.07416	1.3
199.11241	3.3
199.14857	1.0
201.05490	2.1
201.09052	1.5
203.03299	1.1
203.07076	1.4
203.10626	1.0
205.04897	0.9
205.10272	0.8
205.12202	1.6
207.02907	0.9
207.08063	0.9
209.04338	1.2
209.09731	1.2
209.13385	0.8
211.11047	1.5
211.14815	0.9
213.05420	1.6
213.09106	1.0
213.12708	2.4
215.10652	2.3
217.04980	3.4
217.12132	1.0
221.04431	8.7
223.11172	3.0
225.09067	2.4
225.12692	1.4
227.10638	1.7
227.12668	0.8
229.12303	1.3
231.10129	1.4
231.13704	1.2
231.21170	0.8
233.11693	5.1
235.06000	1.7
237.09157	1.2
241.08611	0.8
241.12224	5.0
243.10161	3.3
243.21069	2.0
245.11775	1.6
251.10649	2.8
253.12370	1.0
255.10184	1.4
259.10059	0.6
259.13190	3.6
259.20526	1.1
261.11212	1.4
261.22110	5.6
267.15784	6.5
269.11694	5.7
271.13199	1.2
277.10767	3.1
279.10037	2.0
287.12729	6.7
289.10721	1.7
297.11240	3.5
303.12375	1.0
305.13843	2.5
313.27432	6.9
315.12289	9.9
333.13309	46.5
333.24194	2.3
335.03159	0.7
335.25775	100.0
336.25946	2.3
351.14423	3.2
384.92743	0.7
389.16217	0.8
407.17050	5.6
417.31451	1.3
425.18069	41.7
426.18256	1.2
427.19400	1.3
435.32599	2.8
437.33954	0.7
443.19107	4.1
453.33722	1.7
454.28693	0.7
483.33640	0.8
505.38791	6.5
509.36267	2.2
527.37341	14.6
528.37866	3.8
529.38898	2.2
557.32361	2.2
565.35211	1.1
575.33569	2.4
583.36298	1.0
593.34680	4.9
611.36023	5.7
629.36938	1.8
631.36304	1.0
667.38135	6.6
685.39441	31.1
686.39685	1.5
703.29120	1.3
703.40515	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	900.494
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39172	1.1
65.03935	6.5
66.12416	1.1
67.05501	54.0
68.99768	1.2
69.03430	6.7
69.07062	17.7
69.37160	7.5
69.37585	4.2
71.01331	1.4
71.04998	5.7
71.08627	23.5
73.02897	3.1
79.05487	40.2
81.03413	77.6
81.07052	56.2
83.04963	5.2
83.08139	1.8
83.08611	24.5
85.02898	11.7
85.06526	3.1
85.10183	14.4
89.88951	1.3
91.03937	3.8
91.05476	41.1
93.03372	2.4
93.07037	38.5
95.01322	10.7
95.04960	28.4
95.08602	48.1
97.02892	10.3
97.06521	5.2
97.10160	9.4
99.08046	1.4
103.05445	2.6
105.03404	2.1
105.07032	25.3
107.04943	9.5
107.07954	1.9
107.08597	19.3
109.02861	3.4
109.06509	4.8
109.10148	19.4
111.00865	1.2
111.04449	2.8
111.08048	6.1
115.05457	5.2
116.06188	1.4
117.07021	13.3
119.04942	5.5
119.08567	23.4
121.02863	2.9
121.06467	5.5
121.10139	17.4
123.04416	5.3
123.05839	1.2
123.08047	3.5
123.11694	7.5
125.02312	3.2
125.09627	1.3
127.03915	3.2
128.06219	3.9
129.06999	18.6
131.04903	4.1
131.08559	22.1
133.06494	7.2
133.10106	14.5
135.04382	4.5
135.08035	3.7
135.11673	4.9
136.06148	1.9
137.02379	1.9
137.06009	2.0
137.09665	1.8
137.13205	1.7
139.03960	1.9
139.11226	1.4
141.01781	1.2
141.06985	4.3
142.07744	2.5
143.08572	7.6
145.04930	2.0
145.06456	7.9
145.10098	14.3
147.04382	5.3
147.08043	6.3
147.11684	11.5
149.02341	4.1
149.05963	3.7
149.09613	7.7
149.13223	3.5
151.03864	4.2
151.07588	1.3
153.06981	2.0
155.08543	7.5
157.06462	4.1
157.10129	17.1
159.04433	2.8
159.08067	2.9
159.11684	6.3
161.02249	1.3
161.05980	6.0
161.09601	2.4
161.13248	1.5
163.03897	3.9
163.05984	2.4
163.07375	1.2
163.11185	2.8
165.01822	2.5
165.05447	3.7
165.06883	2.8
165.12773	1.3
166.07721	1.6
167.08565	5.0
168.09401	1.3
169.10147	5.9
171.08005	3.7
171.11665	5.9
172.12340	1.2
173.05937	6.7
173.09631	2.3
173.13263	4.2
175.03889	7.2
175.07530	2.0
175.11166	8.0
177.05440	3.3
177.12717	1.6
179.03374	2.0
181.06380	1.4
181.10075	4.1
183.07985	2.2
183.11673	4.9
184.07378	2.1
185.06009	2.1
185.09650	2.1
185.13281	3.6
187.03860	3.1
187.07523	2.0
187.11183	2.7
187.14774	2.4
189.05428	9.1
189.09065	1.7
191.03293	1.6
191.07108	1.2
192.72026	1.2
193.10355	2.5
193.12234	28.9
195.08006	1.8
195.11716	3.3
197.09647	3.2
197.13310	1.6
199.03838	1.9
199.07559	1.8
199.11159	2.6
199.14743	1.7
201.05484	2.4
203.06926	1.9
205.04935	2.5
205.10175	2.9
205.12167	2.0
207.11676	1.6
209.09525	2.7
211.11206	1.5
213.05635	1.4
213.09131	2.4
213.12729	4.3
215.10655	3.8
217.04866	3.4
217.12131	2.1
221.04437	15.8
223.11140	4.1
225.09068	2.7
225.12706	1.5
227.07011	1.4
227.10638	3.3
233.11626	7.5
235.05960	3.6
239.10660	2.2
239.23680	1.3
241.08469	1.6
241.12241	7.2
243.10167	3.6
243.13795	2.8
245.11539	1.6
249.14854	2.7
251.10710	3.4
255.10219	1.6
257.24802	2.4
259.09723	1.3
259.13214	5.7
259.20517	1.8
261.11264	2.9
261.22156	3.9
267.15894	96.8
269.11661	9.4
277.10681	3.7
285.11099	1.3
287.12796	8.8
289.14352	1.7
297.11270	5.6
301.14371	2.0
303.12256	1.9
305.13797	5.1
309.16925	1.9
313.27353	100.0
315.12161	14.4
333.13300	56.0
333.24359	2.5
335.25790	52.9
351.14349	4.0
389.15991	1.3
407.16998	4.9
417.32086	1.4
425.18051	97.1
435.32599	2.6
443.19260	3.2
505.38849	79.3
506.39258	1.6
509.36157	2.4
527.37244	15.1
528.37677	3.6
529.39221	1.4
547.40552	2.4
557.32190	2.0
575.33685	2.3
593.34058	3.5
611.35712	6.2
631.42474	2.2
649.37103	1.5
667.38165	7.6
685.39355	30.8
703.40375	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	898.5725
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	30.7
69.03427	2.5
69.07063	6.8
69.34674	10.1
71.04988	12.8
71.08627	17.6
73.02923	2.4
73.06546	1.2
79.05491	6.2
81.03382	1.2
81.07054	57.4
83.04978	2.9
83.08616	10.0
85.02902	7.7
85.06553	5.8
85.10181	11.9
89.47779	0.8
89.90144	0.8
91.03950	4.4
91.05479	9.0
93.07032	6.1
95.04959	1.6
95.08608	16.2
97.02907	4.4
97.06530	2.1
97.10187	4.8
98.02171	0.9
99.11701	1.3
105.07020	4.5
107.08583	6.0
109.06491	1.0
109.10162	10.7
111.08047	1.0
111.11820	1.1
115.86800	0.8
121.10173	1.4
123.11701	13.4
127.03944	2.2
133.10117	9.9
135.11668	1.6
145.04994	1.5
149.13255	2.6
151.11165	4.3
159.11687	2.8
163.06023	2.1
177.12776	1.7
183.13799	2.7
187.13292	3.5
239.23601	2.2
257.17511	1.5
269.17450	3.9
301.20068	13.8
313.27328	13.8
374.25626	0.9
383.43549	1.0
388.99771	1.0
437.24265	1.0
461.90186	1.1
481.38876	64.6
482.39130	1.6
495.40384	3.9
507.40421	6.3
539.43048	100.0
540.43219	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	898.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03972	4.1
67.05510	26.9
69.07078	16.1
69.14973	3.4
71.08633	31.6
71.58846	5.7
71.59202	3.4
73.02883	3.7
74.69276	3.2
76.93259	3.0
79.05502	26.0
81.03429	27.1
81.07060	33.4
83.01369	4.8
83.04955	14.9
83.08617	17.5
85.02909	17.2
85.10194	16.1
86.09698	4.2
88.29852	3.1
91.03949	8.6
91.05501	20.2
92.60062	3.0
93.07060	32.2
95.04988	9.3
95.08601	32.5
97.02889	11.7
97.06544	9.6
97.10169	5.0
99.04435	5.3
105.07043	8.9
106.07368	3.2
107.04957	18.8
107.08586	15.4
109.10162	21.0
111.04442	12.0
111.08094	8.1
111.11699	3.7
117.07009	7.5
119.08570	9.6
121.06449	4.1
121.10141	12.7
123.08089	4.4
123.11783	4.8
125.00056	4.1
127.03915	5.8
131.08569	10.2
133.10155	5.7
135.11705	25.7
145.10127	19.5
147.08047	6.4
147.11708	4.4
149.09586	5.0
153.12799	16.3
155.08527	3.9
163.06006	4.8
163.11194	44.2
173.09637	6.9
181.12251	6.9
184.07372	10.6
191.10686	15.5
209.11761	26.0
227.12840	21.1
265.14374	8.6
283.15399	62.7
298.01727	4.1
299.14877	5.8
301.16473	52.9
313.27383	100.0
314.27484	6.9
503.37592	5.9
521.38397	70.6
521.46204	2.6
523.20819	3.7
539.31696	5.8
539.39417	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.203
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02372	0.4
67.05519	0.2
68.99780	0.9
69.03425	4.3
70.06592	0.5
71.04976	0.6
71.58109	0.2
72.08136	0.2
73.02901	0.6
78.04703	0.2
79.05468	0.2
81.03415	7.3
83.04964	0.3
84.04513	0.3
84.08140	0.2
85.02904	5.4
86.09718	0.3
87.00826	2.5
89.03909	5.1
91.03959	0.3
91.05476	0.6
95.04951	0.5
97.02894	2.9
99.04446	1.4
101.07112	0.2
103.05505	0.2
105.01851	1.2
106.04134	0.2
109.02878	4.6
111.00790	0.3
117.01967	0.5
117.03373	14.5
118.03671	0.3
121.02848	0.6
124.05224	0.2
127.03911	6.1
129.01801	0.3
134.03632	1.2
135.04395	1.2
137.02344	5.1
137.03381	0.2
145.02840	40.7
145.04839	1.0
146.03256	0.5
147.04379	0.6
149.02350	0.6
149.05969	5.5
153.01836	2.3
158.06070	0.2
159.02888	2.1
161.05893	0.2
163.03902	1.4
165.01830	1.1
171.02902	0.4
173.06009	0.3
175.03868	0.2
177.05461	100.0
178.05806	1.2
183.02847	0.4
186.05466	1.2
187.03908	0.2
195.02910	0.2
195.06470	0.9
201.05475	0.9
203.52272	0.2
229.04945	2.3
231.04962	0.8
247.06125	0.5
257.04443	1.6
261.04034	0.4
261.07541	0.6
274.04541	0.4
285.03928	0.6
285.07083	0.3
287.05649	0.3
297.03973	0.3
303.04980	61.1
304.05188	1.2
321.09662	5.7
326.19751	0.2
327.04822	0.4
339.10727	6.1
345.06171	1.2
368.14804	0.2
397.24457	0.2
407.09543	0.2
411.06958	0.2
425.10916	0.3
468.46365	0.2
615.70850	0.2
641.14850	0.3
685.46619	0.2
795.48077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.3
67.05505	48.1
69.03437	3.0
69.07063	17.0
69.07410	1.4
69.93929	2.3
69.94344	2.6
71.01355	1.1
71.04995	2.7
71.08623	1.7
73.02915	2.0
79.05489	29.3
81.03442	2.7
81.07052	55.2
83.04993	3.4
83.08609	9.6
85.02898	7.4
85.06565	3.2
91.03954	5.2
91.05479	18.9
91.06004	1.3
93.07037	46.3
95.04990	4.4
95.07984	1.4
95.08601	30.2
97.02882	5.2
97.06541	7.4
97.10181	2.1
98.67535	1.0
99.04472	1.0
99.08094	2.3
103.03971	0.9
105.07027	8.0
107.08595	27.8
107.09299	1.8
109.06548	1.7
109.10165	10.3
111.08114	3.9
117.07020	7.7
119.08592	6.8
121.10136	16.9
121.22816	1.0
123.11730	3.5
127.03939	2.1
129.07014	1.3
131.08537	9.1
133.10112	9.1
135.08081	0.9
135.11679	10.7
136.06194	2.3
137.13309	1.4
139.11192	1.1
145.10179	3.6
147.11751	3.0
149.13254	18.2
159.11673	9.6
161.13304	2.2
163.14775	1.4
173.11908	0.9
173.13252	2.0
175.14954	1.1
177.12790	2.1
187.14731	1.2
195.13824	4.7
243.21196	2.2
261.22122	10.6
267.15964	1.2
269.17477	48.4
270.17947	1.3
291.19662	1.4
317.24829	2.2
324.11456	1.2
335.25775	46.0
437.34409	1.4
469.20645	1.6
518.41315	1.0
529.38879	100.0
530.38983	4.8
547.39990	2.4
631.25781	1.7
632.26154	1.6
634.65503	1.2
691.43982	1.1
878.00214	1.2
888.50116	33.1
889.49927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.7
69.07082	0.2
69.35771	0.2
70.06586	0.3
71.07379	3.4
71.59254	0.3
73.35257	0.2
75.88239	0.3
79.05489	0.5
81.03429	0.3
81.07044	0.9
84.04452	0.2
85.67986	0.2
86.09705	26.2
91.05482	0.5
93.07068	0.4
95.04976	0.2
95.08595	0.5
98.98459	3.0
104.10735	2.1
105.07036	0.6
107.08569	0.2
109.10143	0.3
125.00004	18.4
133.10081	0.2
136.06152	0.3
139.16733	0.2
143.01045	0.5
143.95583	0.3
166.02687	0.2
184.07339	100.0
185.07677	0.6
221.84279	0.2
412.06421	0.2
436.75851	0.2
452.90625	0.3
660.28271	0.3
713.46326	2.2
714.46863	1.4
782.97833	0.2
848.32275	0.2
888.32495	0.4
888.48608	5.0
889.48053	0.3
908.06293	0.3
909.25903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23396	1.0
65.03911	1.0
67.05503	18.8
68.81006	1.0
69.03424	4.6
69.07060	9.0
71.04971	3.4
71.08632	18.3
73.02906	4.5
73.03275	0.9
79.05492	14.5
81.03412	43.3
81.07047	27.6
83.04983	9.8
83.08618	23.3
85.02901	23.6
85.06494	1.6
85.10181	11.1
86.09709	1.4
87.04463	1.2
89.06052	1.2
91.03952	6.7
91.05471	20.4
93.07043	14.5
93.07572	1.9
95.04969	16.3
95.08599	20.2
97.02896	8.1
97.06516	2.8
97.10170	6.7
99.08111	1.3
104.15771	0.9
105.07027	14.9
107.04940	3.9
107.08596	4.1
109.02834	1.0
109.06512	3.3
109.10145	8.8
111.04438	2.5
111.08061	6.1
113.06018	3.0
117.07037	1.9
119.08576	11.3
121.06458	1.3
121.10136	6.8
123.08069	1.3
123.11674	4.1
125.09699	1.4
127.03914	2.6
129.07001	7.9
131.08556	7.9
133.06494	1.3
133.10115	9.0
135.11652	1.5
137.09583	1.0
142.07744	1.9
147.08076	2.4
147.11693	9.1
149.09636	3.9
157.10109	8.6
163.06029	3.4
165.12741	1.9
175.11227	8.6
184.07349	3.9
193.12244	31.9
211.13272	42.2
239.23715	1.2
252.71521	0.9
267.15894	16.2
285.16940	58.6
286.17212	1.8
313.27347	60.2
505.38818	14.9
523.39923	100.0
524.39948	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	880.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	2.0
67.05515	11.7
69.07042	3.8
71.04977	1.9
71.08625	15.7
71.58461	2.4
76.56472	1.6
79.05489	11.3
81.07050	13.9
83.08615	10.4
85.02890	5.3
85.10181	9.5
86.09708	3.6
91.05480	2.7
93.07045	16.0
95.04944	3.6
95.08608	29.0
97.02924	2.9
97.10159	2.6
102.56703	1.9
104.96368	1.8
105.07009	4.2
107.04940	4.6
107.08585	16.6
109.10141	6.8
117.07008	4.3
119.08565	7.8
121.10166	5.6
125.06059	2.7
135.11681	30.8
145.10139	17.4
163.11177	42.7
181.12244	8.2
184.07341	5.6
227.12779	50.4
246.00255	2.1
283.15399	77.0
283.18539	3.6
284.15848	2.6
313.27362	81.7
314.27676	4.0
324.18613	2.0
347.32355	2.0
521.38379	100.0
522.38519	4.4
880.51001	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.0
67.05506	11.7
69.03419	3.3
69.07067	5.7
70.06581	0.9
71.03270	2.1
71.04974	1.8
71.08636	16.3
73.02919	1.7
79.05484	7.2
81.03419	32.0
81.07058	17.2
83.04989	6.5
83.08629	19.8
85.02905	16.9
85.06557	1.6
85.10181	8.1
88.47052	0.9
91.03960	3.1
91.05479	10.5
93.07046	6.5
95.04964	11.3
95.08617	16.1
97.02894	4.6
97.06537	1.7
97.10155	4.7
97.12239	0.9
105.07031	8.0
107.04948	1.3
107.08595	3.4
109.06532	2.3
109.10163	5.5
111.04488	1.0
111.08082	5.7
113.06017	1.3
119.08607	7.8
121.06544	1.3
121.10163	5.9
123.08044	2.0
123.11709	3.0
128.71187	0.8
129.07004	4.1
130.67973	0.9
131.08571	4.1
133.10124	4.2
135.11688	1.1
137.09576	0.8
137.13281	1.1
142.07846	1.4
147.08076	1.7
147.11700	6.1
149.09607	3.2
157.10141	7.8
163.06090	1.3
165.12831	1.2
175.11183	9.1
184.07381	3.8
193.12250	27.8
199.60719	0.8
206.02411	0.9
210.63052	0.8
211.13312	29.8
212.13675	1.0
219.57579	0.8
219.85075	0.9
229.57814	0.9
239.23808	1.0
257.24731	0.9
267.15994	8.1
278.43021	0.9
283.15390	1.3
285.16971	29.3
313.27356	36.7
314.27643	2.1
418.71722	1.3
505.38940	7.1
523.39960	100.0
524.40247	3.5
552.30011	1.0
759.70624	1.1
776.92792	1.1
917.40808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.4
67.05499	21.8
69.07060	4.7
69.88828	11.9
71.04982	2.2
71.08625	10.5
75.17372	2.0
79.05495	27.4
81.07052	20.8
83.04984	5.3
83.08606	6.2
85.02909	4.0
85.10170	6.3
90.52253	2.1
91.05476	19.6
92.80308	1.8
93.07044	27.3
93.44443	1.9
95.04960	7.0
95.08606	17.8
97.06496	2.3
97.10151	2.9
98.21449	2.4
105.07021	15.3
107.04971	2.8
107.08613	10.0
109.06506	3.6
109.10169	5.3
119.08583	7.2
123.11765	2.6
129.07007	7.8
132.92679	1.9
133.10110	3.3
143.08540	3.0
145.10170	3.7
147.11650	19.6
153.70039	1.8
161.09654	3.3
161.13264	2.2
171.11696	13.4
177.34630	1.9
189.12788	3.5
207.13806	14.4
239.23730	1.8
247.74911	1.8
256.92734	2.1
281.17484	51.6
313.27399	38.6
519.40460	100.0
520.40662	5.1
811.20294	2.1
900.73053	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02894	2.7
65.03934	2.5
67.05505	100.0
69.03424	8.2
69.07069	40.8
70.06586	4.6
71.04992	4.9
73.02901	5.0
79.05490	65.0
81.03413	13.3
81.07056	96.2
83.04976	11.5
83.08614	25.5
84.04504	2.9
85.02914	7.5
85.06543	4.4
86.09698	7.1
86.23158	1.9
91.05480	65.4
93.06473	4.2
93.07043	66.6
95.04973	17.8
95.08606	39.0
95.26353	2.3
97.02906	5.4
97.06520	20.2
97.10170	24.1
99.04421	3.0
99.08073	3.0
105.07031	50.6
107.04955	13.1
107.08593	59.4
109.02902	3.5
109.06519	8.6
109.10149	44.8
111.08086	8.4
115.05428	4.3
117.07019	19.9
119.08580	39.2
120.04484	2.3
121.06531	6.0
121.10133	22.8
123.08061	5.2
123.11698	5.5
125.09612	16.4
126.05499	5.2
127.03932	5.8
129.07011	9.7
130.07773	2.5
131.08557	27.1
133.06503	3.5
133.10132	38.1
135.08055	10.0
135.11694	16.1
136.06186	40.5
137.09644	4.3
139.11179	3.8
141.07028	4.1
143.08560	9.4
145.10129	29.2
147.08054	3.8
147.11681	23.0
149.09619	19.9
149.13284	14.9
151.11171	4.7
155.08572	6.5
155.10611	3.2
157.10133	9.9
158.44362	2.2
159.08043	3.6
159.11694	21.0
161.09601	4.7
161.13268	7.3
163.11189	6.5
165.12721	3.3
169.10066	6.1
171.11667	8.8
173.11740	8.9
173.13266	8.5
177.12788	5.0
179.14365	3.4
181.97920	2.1
183.11713	6.5
184.07332	6.3
185.13327	4.0
187.14830	2.8
189.11249	10.1
195.11902	2.0
195.13799	4.9
197.13330	5.4
201.16428	2.0
227.12787	23.7
229.14336	21.6
229.19376	4.3
239.17912	5.2
247.20590	4.1
253.18063	2.5
255.15988	7.6
257.18958	13.1
267.15982	4.1
269.17432	29.7
275.20059	64.2
293.21063	8.9
313.21738	2.9
331.22562	4.2
347.21722	2.7
349.23743	49.6
367.24753	13.0
399.23917	2.5
423.27438	11.0
445.29288	2.7
449.28909	9.2
451.32608	2.9
463.30585	19.7
497.09329	2.6
503.33777	22.5
519.32819	4.2
525.35742	3.5
527.36823	2.9
529.35187	5.4
543.36792	37.3
561.37622	7.0
607.34882	2.4
623.42682	11.9
641.43854	11.5
708.52167	3.1
788.49603	2.3
874.46375	2.7
875.46204	2.7
901.13226	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	873.2083
Annotation	Kaempferol 3-(2''-feruloylglucosyl)-(1->2)-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
61.02919	0.5
61.38229	0.2
63.02380	0.5
65.03933	0.3
67.05476	0.2
68.99795	1.1
69.03425	3.9
70.06586	0.6
70.11349	0.4
70.11741	0.5
70.48747	0.2
71.01329	0.2
71.04987	0.7
73.02906	1.0
78.04700	0.2
79.05469	0.2
80.74077	0.2
81.03416	7.3
81.07031	0.2
85.02903	5.8
87.00832	2.4
89.03912	5.0
91.03961	0.3
91.05470	0.6
93.07038	0.4
93.08134	0.2
95.04942	0.4
97.02885	2.4
99.04455	1.4
103.05463	0.4
105.01862	1.2
105.03371	0.4
105.07018	0.2
106.04219	0.2
107.04987	0.3
109.02876	4.3
109.06504	0.2
111.00786	0.3
111.04421	0.3
117.01920	0.5
117.03378	13.5
118.03729	0.1
119.04962	0.4
119.08611	0.2
121.02866	4.1
121.06514	0.2
121.10156	0.2
124.05169	0.2
127.03909	5.2
129.01796	0.4
129.10297	0.2
131.04913	0.2
133.02823	0.4
133.06454	0.2
134.03633	0.9
135.04439	1.3
137.02347	0.6
137.05951	0.4
145.02840	35.3
145.04930	1.4
146.03204	0.5
147.02904	0.2
147.04411	1.0
148.63741	0.2
149.05980	4.5
153.01839	1.8
157.06491	0.4
158.06018	0.3
159.02892	1.8
163.03888	0.4
165.01801	0.7
169.06552	0.2
171.02930	0.4
171.04398	0.2
177.05463	100.0
178.05827	1.6
183.02885	0.5
185.05933	0.2
186.05502	0.9
191.07051	0.2
195.06541	1.2
201.05486	0.2
203.06949	0.2
207.06429	0.3
210.39891	0.2
213.05511	0.7
231.04697	0.4
231.06747	0.3
241.04907	1.0
258.05194	0.6
259.06046	0.2
261.07495	0.8
267.15833	0.3
285.07379	0.2
287.05484	69.6
288.05801	1.4
303.08487	0.2
321.09683	5.4
329.06522	0.8
339.10751	6.1
353.06580	0.2
425.10593	0.5
477.28558	0.2
482.08969	0.2
492.05710	0.2
625.16333	0.2
702.60028	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	872.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.0
63.96557	1.5
64.28181	1.6
65.03927	4.0
67.05504	71.7
69.03423	11.4
69.07067	40.8
69.46992	12.4
69.59763	1.7
70.06594	10.2
71.04984	6.5
79.05492	73.9
81.03419	22.0
81.07056	100.0
83.04980	16.9
83.08619	24.7
84.04470	1.8
85.02895	7.0
85.06534	5.5
85.07687	1.7
86.09693	11.2
87.04459	1.9
91.05476	58.5
93.06474	3.5
93.07043	58.2
95.04966	27.6
95.08605	39.2
95.09090	1.2
97.02879	7.7
97.06525	27.8
97.10161	26.4
98.20706	1.9
99.04446	2.1
99.08063	3.5
103.05447	3.3
105.04491	1.9
105.07028	45.5
107.04947	16.8
107.08591	49.9
108.70309	1.6
109.02869	4.1
109.06496	20.3
109.10155	24.5
111.04444	8.6
111.08080	8.7
115.05471	2.3
115.07580	1.6
116.06280	1.8
117.07022	22.2
119.08579	37.6
121.06498	10.1
121.10137	24.1
123.04472	1.5
123.08062	18.6
123.11710	4.5
125.09633	25.2
125.94718	1.6
127.03913	6.9
128.06229	3.8
129.07004	13.3
130.07774	2.1
131.08565	27.2
133.06503	3.7
133.10127	28.0
135.08025	10.6
135.11708	14.2
137.09616	7.6
139.37993	1.7
141.06999	4.5
141.10175	1.8
142.07748	2.3
143.08556	11.5
145.06479	4.2
145.10110	23.0
147.08018	8.9
147.11633	13.2
149.09619	19.6
149.13243	8.9
151.11227	3.5
153.09079	3.6
153.12761	3.9
154.07835	1.6
155.08522	5.8
157.10110	8.6
159.11697	13.1
161.09593	8.5
161.13286	5.7
163.11172	15.4
165.09138	4.5
169.10091	6.0
170.90280	1.5
171.08083	2.7
171.10184	3.2
171.11700	6.2
173.09622	6.1
173.11893	2.7
173.13277	7.6
175.11185	3.8
177.12770	5.4
179.14235	2.5
181.12209	4.3
183.11681	3.1
183.14911	1.6
185.13226	3.8
187.11229	2.6
189.11211	18.4
189.12758	3.1
191.10645	2.7
195.13898	2.9
197.13431	2.6
199.14789	1.8
201.12665	2.3
209.13295	2.4
211.14656	2.8
215.14273	2.7
223.13205	9.0
227.12766	23.2
229.14281	3.2
239.17935	2.0
245.18974	2.4
257.19028	5.7
269.17487	13.3
273.18497	27.6
275.20035	26.9
283.15271	2.5
291.19501	54.1
293.21005	2.0
297.17072	2.6
309.20627	3.9
311.20291	2.0
331.23080	2.9
347.22183	8.3
349.23776	26.4
365.23166	24.8
367.24808	2.6
383.24179	5.3
397.22156	2.1
435.23666	2.0
519.33270	3.6
541.34882	2.9
545.34277	3.9
559.36255	16.2
577.37164	2.7
621.41174	4.3
639.42786	14.6
640.42554	2.0
657.43384	6.9
660.10468	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12068	2.2
65.03918	6.3
67.05503	93.7
69.03433	13.4
69.07067	52.8
70.06577	5.8
71.04998	16.5
71.59384	4.3
73.02926	3.3
76.02242	2.9
79.05490	79.0
81.03414	17.8
81.07050	100.0
83.04979	20.7
83.08630	24.0
85.02901	12.1
85.06537	7.4
86.09685	5.6
91.03975	3.4
91.05480	69.1
93.07040	73.1
95.04971	26.4
95.08604	40.4
97.02883	9.1
97.06531	40.3
97.10155	20.6
99.08081	5.0
105.04539	2.5
105.07030	50.6
107.04951	16.5
107.08590	50.6
109.06521	21.6
109.10170	29.2
111.04436	6.0
111.08082	9.2
115.05460	3.3
115.07569	8.4
117.07019	25.5
119.04941	2.6
119.08582	40.0
121.06524	11.2
121.10146	23.4
123.04459	3.7
123.08095	16.5
123.11687	3.7
125.09612	17.9
127.03881	6.7
128.06224	3.2
129.07002	10.8
130.05014	2.6
131.08565	35.8
132.80273	2.3
133.06480	7.4
133.10123	35.7
135.08003	13.5
135.11662	16.2
137.09575	6.3
139.11197	3.0
141.06915	2.4
143.08559	12.0
145.06448	2.9
145.10097	29.7
146.05945	2.3
147.08017	10.7
147.11687	15.7
149.08600	2.6
149.09590	16.4
149.13292	13.3
151.11168	8.4
153.09007	3.1
155.08549	6.4
157.10100	10.9
159.08031	3.9
159.09282	2.2
159.11662	19.7
161.09596	8.8
161.13277	3.9
163.11212	14.8
165.09105	2.5
167.08525	2.8
169.10068	7.1
171.11658	9.0
173.04475	3.6
173.09558	3.4
173.11852	3.2
173.13260	5.6
175.11176	5.6
177.12793	6.7
179.14308	2.3
181.10072	4.3
181.12309	4.3
183.11719	5.6
184.07260	4.1
185.13200	4.0
187.11140	4.1
189.11211	10.2
189.12744	4.6
193.12230	3.7
195.11739	3.8
195.13800	5.7
199.14839	4.0
217.15894	5.4
220.55362	2.5
221.15282	3.8
223.13326	6.1
227.12744	23.5
229.12283	2.5
229.14369	9.9
233.15379	3.6
245.19032	5.5
247.20627	3.7
253.14326	10.4
255.15640	4.1
257.18982	7.2
267.15884	4.7
269.17465	31.3
272.83707	2.5
273.18478	33.7
275.20007	32.8
285.16977	2.7
291.19513	62.0
293.21072	4.7
309.20682	5.1
315.04898	25.3
316.05289	9.5
347.22217	11.5
349.19751	3.4
349.23740	25.7
365.23203	26.6
367.24771	10.4
371.11398	11.8
372.11450	12.5
383.24240	5.3
385.09949	2.4
421.96170	2.7
435.23541	4.2
519.33313	16.9
541.35162	6.8
543.36566	4.6
545.34442	3.8
559.36359	25.8
577.36987	5.6
621.41864	3.4
639.42328	14.6
657.43817	7.7
733.60864	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	867.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.6
67.05498	1.5
68.99785	8.7
69.43371	6.8
70.06572	2.8
77.03931	0.8
79.05492	1.6
81.03419	3.9
81.07064	0.9
83.04989	1.8
84.08153	1.1
85.02895	2.2
89.03912	2.0
91.05486	2.0
95.04968	2.8
98.21332	2.5
99.04446	1.7
103.05469	1.5
105.03358	1.1
107.04961	5.6
109.02872	5.3
111.00796	7.7
111.04443	8.8
112.77637	0.8
115.05524	1.1
117.03365	1.2
119.04939	2.8
121.02872	2.4
123.03719	1.2
123.04426	60.0
127.03915	100.0
129.06972	1.1
131.04939	3.8
135.04411	58.3
136.04738	1.1
137.02327	4.8
137.05949	1.3
139.03900	47.8
141.06985	1.1
143.04945	1.0
145.02838	1.4
145.06494	2.0
147.04395	7.9
149.02376	7.4
149.05977	2.1
151.03891	9.6
153.01845	1.2
155.04907	2.2
157.06467	1.3
159.04396	5.2
161.02335	1.5
161.05962	4.6
163.03905	54.7
165.05458	5.2
167.03421	6.3
169.04999	2.4
169.06516	1.9
173.05994	5.5
175.03941	3.4
175.07533	0.7
177.05444	6.7
179.03391	7.3
179.07024	1.0
181.04993	0.9
183.04417	1.7
185.05998	1.8
187.03862	7.5
189.05484	3.9
190.02663	1.1
191.03384	10.5
193.04990	2.6
193.13083	0.7
197.05994	4.4
199.03931	1.0
201.05473	9.2
203.03372	11.0
203.07043	1.3
205.04929	3.8
207.02896	0.9
207.06589	1.1
213.05521	3.6
215.03424	2.2
215.07030	3.0
217.05026	2.6
219.06488	1.4
222.03674	0.8
223.02396	2.0
225.05496	3.2
227.03522	0.8
227.07243	0.9
229.04955	10.1
231.06540	2.3
233.04378	4.3
235.02431	0.9
237.05373	1.5
239.03326	1.0
241.04947	2.2
243.02997	1.2
243.06470	5.4
245.04457	51.3
247.06033	45.0
248.06384	0.7
253.05031	2.9
255.06563	3.3
257.04443	13.8
258.05243	2.0
259.05994	9.1
261.07635	1.5
263.05429	1.3
265.04929	2.1
269.04416	5.1
271.05991	24.1
273.07590	1.8
274.04782	2.7
275.05472	18.9
275.08432	1.0
281.04413	2.2
283.06042	11.9
284.06503	0.9
285.03918	1.5
285.07523	1.2
286.04892	1.1
287.05466	17.3
289.07050	24.7
291.08667	15.8
293.04419	1.1
295.06076	2.8
297.04016	2.5
297.07443	1.4
299.05524	6.3
301.07095	10.6
301.10284	1.2
303.08527	1.7
307.06152	1.2
309.04025	1.7
311.05408	1.8
313.07077	2.9
319.82892	0.9
323.05511	2.9
325.07120	1.1
331.08197	1.5
338.36768	0.8
351.05093	2.2
361.07016	1.4
363.08929	1.1
365.06650	1.8
377.06506	1.6
379.08194	3.1
383.07532	3.9
389.06827	2.3
391.08185	2.0
393.06012	3.4
395.07678	1.5
396.08475	0.9
397.09274	5.3
405.05856	3.9
407.07605	17.2
409.09183	24.2
411.10583	4.0
419.07574	4.0
421.09027	3.5
425.08713	7.8
427.10287	12.7
431.07401	1.0
433.09091	2.2
435.10925	1.1
437.08679	5.6
439.10352	2.6
449.08832	2.0
451.10165	3.0
517.11102	2.0
527.09937	3.7
529.11292	1.1
541.11310	0.9
545.10742	5.9
557.11163	1.0
559.12366	1.4
571.11993	0.9
579.15173	3.9
603.07666	1.5
679.13959	1.9
697.15393	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	864.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07884	0.4
60.08164	6.2
67.05472	0.2
67.39609	0.2
70.26264	1.0
71.07374	3.7
79.05531	0.3
81.07059	0.3
86.09705	31.0
95.08555	0.2
96.48927	0.2
98.98466	4.0
104.10732	2.8
106.61629	0.2
112.00925	0.3
125.00004	19.9
136.06171	0.9
143.01076	0.6
152.52359	0.2
184.07339	100.0
185.07845	0.6
196.56590	0.3
196.58589	0.2
196.87328	0.2
222.08960	0.4
302.24979	0.2
689.46088	2.9
690.46759	2.3
864.48749	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	863.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22174	0.3
67.05489	0.3
67.63982	0.3
69.03428	0.5
70.06590	0.5
71.95277	0.4
79.05489	0.6
83.04977	0.5
84.04491	0.4
85.02903	0.6
91.05489	0.9
93.07039	1.7
95.04969	0.5
98.21618	0.8
107.08607	0.4
111.04445	0.5
119.08632	1.3
121.10147	0.5
126.05494	0.4
128.78326	0.4
147.08028	0.5
169.04758	0.7
170.04807	0.3
204.08731	0.4
205.08379	3.0
206.89610	0.3
223.09451	2.6
226.10794	0.4
255.23682	0.3
263.64764	0.4
274.17603	0.3
317.13678	0.6
319.15320	0.6
331.11166	0.4
333.13144	1.1
335.14618	2.4
337.16376	1.1
349.12521	2.6
351.14319	1.0
367.09082	0.7
367.13635	11.9
367.18048	0.7
369.15271	3.4
414.92554	0.4
455.24020	0.4
517.24298	1.1
519.25751	3.4
535.25159	0.8
663.29865	7.3
679.29193	3.7
681.30695	2.1
701.35785	0.4
717.33612	0.4
801.40076	3.3
863.40326	100.0
864.40796	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	863.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22174	0.3
67.05489	0.3
67.63982	0.3
69.03428	0.5
70.06590	0.5
71.95277	0.4
79.05489	0.6
83.04977	0.5
84.04491	0.4
85.02903	0.6
91.05489	0.9
93.07039	1.7
95.04969	0.5
98.21618	0.8
107.08607	0.4
111.04445	0.5
119.08632	1.3
121.10147	0.5
126.05494	0.4
128.78326	0.4
147.08028	0.5
169.04758	0.7
170.04807	0.3
204.08731	0.4
205.08379	3.0
206.89610	0.3
223.09451	2.6
226.10794	0.4
255.23682	0.3
263.64764	0.4
274.17603	0.3
317.13678	0.6
319.15320	0.6
331.11166	0.4
333.13144	1.1
335.14618	2.4
337.16376	1.1
349.12521	2.6
351.14319	1.0
367.09082	0.7
367.13635	11.9
367.18048	0.7
369.15271	3.4
414.92554	0.4
455.24020	0.4
517.24298	1.1
519.25751	3.4
535.25159	0.8
663.29865	7.3
679.29193	3.7
681.30695	2.1
701.35785	0.4
717.33612	0.4
801.40076	3.3
863.40326	100.0
864.40796	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	860.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.3
63.03526	0.1
65.03931	0.3
67.02974	0.2
67.05176	0.2
67.05503	3.3
69.03433	0.8
69.07063	0.7
69.81693	0.9
70.06589	0.2
71.05004	0.3
73.02913	0.4
79.05494	2.9
81.03420	4.8
81.07058	3.1
83.04994	0.3
83.08616	1.5
85.02909	0.9
86.09725	0.7
91.03957	0.6
91.05476	2.3
93.07047	3.0
95.04967	1.9
95.08604	2.4
95.40912	0.1
97.02888	1.0
97.10140	0.2
98.21494	0.2
101.02398	0.2
105.07014	1.4
107.04932	0.2
107.08594	1.4
109.06532	0.2
109.10165	1.0
111.08059	0.5
117.07018	0.3
119.03527	0.9
119.08575	1.5
121.06503	0.2
121.10139	1.1
123.04478	0.2
123.08044	0.3
123.11702	0.3
124.99982	0.4
129.06990	0.6
131.08551	0.9
133.06451	0.2
133.10127	0.6
135.11688	0.5
136.06184	100.0
137.04584	1.3
137.06630	0.8
145.10138	0.4
146.56055	0.2
147.11687	0.6
149.09706	0.3
149.13216	0.4
152.05673	2.0
157.10152	0.7
159.11658	0.2
173.13275	0.3
175.11186	0.3
184.07347	1.6
187.14647	0.2
193.12250	1.5
243.21289	0.2
261.22226	1.0
267.15927	4.4
335.25787	3.7
346.18829	0.4
405.93747	0.2
420.22772	0.3
438.23419	0.2
453.33435	0.3
527.37329	1.6
540.44519	0.2
545.38672	0.5
551.28375	0.4
600.45477	0.2
680.44061	1.3
698.44812	4.0
699.44763	0.2
780.32068	0.2
842.48328	0.7
860.49170	1.9
861.49884	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	859.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	2.9
67.05502	6.4
69.03432	3.1
69.07072	3.9
69.26925	3.0
69.27349	4.0
71.04979	0.8
73.02918	3.5
74.38332	0.6
79.05503	4.7
81.03408	3.2
81.07065	5.7
82.07393	0.6
83.04985	1.4
83.08644	1.8
85.02914	4.0
91.03983	1.6
91.05477	4.8
92.05811	0.6
93.07038	3.3
94.07384	0.6
95.05009	1.3
95.08634	2.5
97.02894	4.1
97.06557	0.9
97.10174	1.5
99.04501	0.9
101.02406	1.5
105.07024	3.4
107.05013	0.6
107.08582	3.4
109.02829	0.6
109.06524	1.0
109.10207	1.6
111.04428	0.7
116.10736	0.6
117.07055	0.8
119.08602	1.7
121.10201	1.1
123.11711	0.7
125.09610	0.8
127.03972	1.3
129.07047	0.9
131.08588	1.4
133.10211	2.6
135.11728	1.3
143.08591	0.8
145.10199	1.1
147.11723	0.9
148.62019	0.6
159.11836	0.8
184.07397	1.2
223.13409	1.2
236.26523	0.7
243.08380	3.4
291.19742	1.1
331.19049	1.3
333.20517	0.8
439.19266	0.8
453.21167	1.0
549.26862	6.4
551.28253	7.4
655.67297	0.8
669.25958	0.8
859.48059	100.0
860.48328	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	859.4804
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02929	4.3
67.05504	5.9
69.03436	3.9
69.07055	5.3
71.32779	0.7
71.33098	1.1
73.02924	3.3
79.05490	5.7
81.03424	2.4
81.07046	5.4
83.04964	1.3
83.08633	2.0
85.02911	4.1
86.09747	0.8
87.69643	0.7
91.03954	1.6
91.05479	4.9
93.07042	3.5
95.04996	1.9
95.08616	2.9
97.02895	5.2
97.10176	2.3
99.04490	0.9
101.02389	1.5
105.07021	2.5
107.08624	2.8
109.06547	0.9
109.10199	1.1
115.80600	0.8
117.07056	1.1
119.08612	2.3
121.06648	0.7
121.10170	1.2
123.08028	1.1
125.02148	0.8
125.09626	1.7
127.03965	1.1
129.06943	0.7
129.14511	0.8
131.08592	1.2
132.97859	0.8
133.10127	1.7
134.66116	0.7
135.11761	1.3
145.10193	0.9
146.21222	0.7
147.08061	1.0
152.13507	0.7
170.30968	0.7
184.07413	2.1
203.11009	0.7
223.13454	1.2
225.64897	0.9
243.08334	4.1
275.20279	1.2
276.20456	0.8
291.19617	2.1
331.18701	1.7
333.20496	1.8
389.23428	0.9
453.21094	0.9
549.26776	5.8
551.28137	8.8
551.77307	0.8
769.24707	0.8
815.18903	0.8
841.47272	0.9
859.48077	100.0
860.48059	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	858.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11142	0.9
65.03920	2.8
67.05513	6.1
69.03429	30.7
69.07052	1.4
71.01345	4.5
71.04993	5.5
71.58123	1.3
71.58520	1.6
73.02914	1.8
75.04475	2.2
79.05496	17.2
81.03413	2.5
81.07055	12.6
83.01324	1.4
83.04978	35.3
84.04487	1.7
85.02367	1.5
85.02898	25.6
85.03373	2.0
85.06548	2.9
87.04469	1.8
91.05480	53.8
93.03360	1.3
93.07040	79.7
94.07362	1.1
95.04950	9.9
95.08614	10.9
96.08983	1.0
97.02876	4.6
97.06524	1.9
99.04442	4.5
103.05452	3.7
105.07028	15.3
107.04956	5.1
107.08583	11.4
109.02925	1.5
109.06496	5.3
109.10167	2.9
111.04441	23.7
111.08067	3.5
111.56334	0.9
111.63990	1.1
115.05464	2.3
117.07007	18.3
117.32932	0.9
119.04954	2.1
119.08575	99.2
119.50770	0.9
120.04482	1.1
120.08917	1.4
121.06493	9.0
121.10142	38.4
123.04424	3.5
123.08058	4.5
125.05984	2.7
126.05533	2.5
128.06230	2.2
128.59592	1.0
129.05478	16.1
129.06979	7.8
131.08557	8.9
132.05656	1.2
133.06483	1.7
133.10107	2.4
135.08051	14.8
137.05984	3.1
137.09622	9.2
139.11148	1.3
142.07733	1.1
143.08525	2.9
145.06458	3.7
145.10150	2.6
147.08040	60.5
149.05989	1.2
149.09634	13.5
153.09038	1.3
155.07027	2.8
155.08391	1.3
157.10097	2.7
159.07977	1.8
161.06000	1.3
161.09581	3.2
161.13248	1.1
163.07555	5.7
165.09103	23.6
167.07045	1.6
167.10664	10.3
169.10092	1.5
171.08047	1.3
173.09656	1.8
173.13255	1.0
175.07564	1.6
175.11241	1.7
177.09102	1.2
181.08578	3.6
183.10181	23.1
183.11751	2.4
184.86755	1.1
185.09650	2.2
187.11137	1.5
189.09039	2.1
189.12779	2.4
191.10640	2.0
193.10260	1.1
195.81609	1.0
201.09119	1.5
201.12778	1.5
203.10612	2.3
204.08691	1.9
213.09084	2.3
213.12805	1.2
215.10725	2.4
217.12198	2.0
229.12288	3.0
231.10240	5.3
233.11719	2.8
241.12325	1.1
247.13359	2.1
249.11288	1.2
257.11682	4.3
259.13165	1.6
264.29538	1.1
275.12756	9.1
277.14368	2.8
281.13852	2.7
293.13809	19.2
295.15375	43.9
311.14868	100.0
312.15210	1.8
313.16333	11.4
332.15073	1.0
425.20148	1.3
459.23605	1.9
605.29169	2.8
623.30499	1.8
653.11450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	4.2
67.05502	60.2
69.03425	11.7
69.07065	38.7
71.05009	5.1
73.02899	1.1
77.03897	1.0
79.05492	52.7
81.03419	12.0
81.07052	65.4
83.04984	9.0
83.08615	18.1
85.02897	3.8
85.06530	3.9
89.64619	1.2
91.05479	40.9
93.07037	48.3
94.07362	1.2
95.04967	15.2
95.08598	27.1
96.08909	1.7
96.66579	0.9
97.02893	9.8
97.06521	13.5
97.10168	13.3
99.04463	1.1
99.08053	1.2
103.05444	1.7
105.07023	36.1
107.04951	11.7
107.08590	34.7
109.02881	2.0
109.06516	6.0
109.10148	17.7
109.39832	1.0
111.04420	2.6
111.08076	5.2
115.05446	2.4
117.07009	16.3
119.04959	2.0
119.07801	1.7
119.08583	21.3
121.06541	5.7
121.10144	13.9
123.08033	6.7
123.11673	4.6
125.09616	12.3
127.03922	1.7
128.06212	2.8
129.05487	1.3
129.07027	6.8
130.07727	1.6
131.08563	17.2
133.06474	4.9
133.10112	29.7
135.08066	6.5
135.11681	9.6
137.09607	4.9
137.33476	1.1
141.06964	1.9
142.07712	1.3
143.08559	8.3
145.06421	1.8
145.09021	1.8
145.10095	13.9
147.08029	8.3
147.11687	8.6
149.09616	10.9
149.13239	9.7
151.11165	8.2
153.09128	1.2
155.08527	2.5
157.10123	6.5
159.08083	2.3
159.11699	10.7
161.09622	4.3
161.13271	3.3
163.11169	8.1
165.09129	2.1
165.12737	1.3
169.10135	2.5
169.12236	3.2
171.10172	1.8
171.11691	4.3
173.13255	3.0
175.11177	3.2
175.14877	1.5
177.09114	1.4
177.12715	3.6
179.10638	1.6
181.12219	1.5
183.11610	2.0
185.13199	1.5
187.11134	2.1
187.14778	1.3
189.11206	5.9
189.12688	1.5
193.12248	1.4
194.15425	1.1
195.11969	1.1
195.13777	4.7
197.13275	1.2
199.14722	1.1
201.12807	1.2
205.12112	2.3
223.13237	16.0
227.12796	10.8
227.17938	1.8
229.19472	1.5
239.17944	2.3
245.18927	3.3
249.14935	3.0
253.14351	12.5
253.33955	1.2
255.15897	4.3
257.19022	7.8
261.14850	1.3
263.19965	2.2
267.15860	2.4
269.17438	21.6
273.18518	20.7
275.20038	22.2
291.19522	100.0
292.19861	3.2
293.20926	1.6
329.91010	1.2
331.22687	1.5
347.22125	4.0
349.23682	13.7
365.23215	41.5
366.23474	2.5
367.24548	2.5
394.68250	1.2
461.28558	1.8
507.06744	1.3
541.35272	2.9
545.34509	14.6
559.36292	52.0
560.36560	3.7
621.41772	1.2
639.42413	15.8
640.43420	1.5
657.44006	2.1
703.40045	1.5
754.37543	1.5
854.45496	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	854.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.7
65.03934	2.9
67.05504	46.6
69.03421	10.5
69.07066	36.2
69.88737	8.1
70.18106	1.1
71.04987	4.7
79.05492	46.4
81.03419	11.7
81.07052	46.0
83.04969	6.8
83.08614	13.2
83.58978	1.1
85.02911	3.2
85.06524	2.7
91.05476	36.8
93.06470	2.7
93.07040	38.6
95.01310	1.5
95.04964	15.1
95.08607	21.0
97.02888	9.3
97.06519	14.2
97.10168	18.3
99.04445	1.5
99.08109	1.9
103.05495	2.7
105.07028	33.7
107.04938	11.6
107.08593	29.5
109.02849	3.2
109.06503	5.8
109.10157	13.5
111.08047	3.7
115.05496	1.5
117.07008	17.4
119.08586	26.0
120.05782	1.6
121.06491	6.9
121.10148	8.7
123.04437	1.5
123.08072	4.9
123.11735	2.6
125.09618	14.9
127.03925	2.5
128.06203	2.7
129.05531	1.5
129.07001	5.2
130.07791	2.4
131.08574	16.1
133.06490	3.8
133.10121	17.3
135.08038	6.3
135.11703	5.4
136.06218	1.6
137.09604	2.4
141.06963	2.1
143.08557	5.9
145.06461	2.1
145.10104	13.1
145.73418	1.3
147.08015	6.7
147.11691	9.5
147.16542	1.4
149.09610	11.5
149.13263	4.6
151.11124	2.0
152.05692	1.7
153.09184	2.0
155.08513	1.7
157.10187	5.7
159.11681	8.6
161.09636	4.1
161.13339	2.4
162.07794	1.6
163.11163	6.8
165.09146	1.7
169.10129	2.6
171.10187	1.3
171.11740	2.7
173.13278	2.8
175.11172	1.8
177.12775	3.2
179.14301	1.8
183.11636	2.6
184.07329	4.4
185.13193	2.0
187.11211	2.1
189.11212	8.0
189.12685	1.7
193.12177	1.6
195.13768	2.5
197.13261	1.9
199.14810	1.8
205.12233	2.6
223.13272	14.6
227.12761	16.6
227.17975	2.0
229.19450	2.3
232.25978	1.2
239.17984	2.5
249.14746	3.3
253.14417	2.1
257.18948	6.3
269.17419	9.3
273.18442	13.7
274.40698	1.3
275.20056	22.5
291.19528	100.0
292.19977	1.7
293.21060	1.7
347.22119	3.0
349.23688	19.3
356.67279	1.4
365.23248	33.0
367.25250	2.0
535.32587	2.5
541.35315	1.7
543.36627	2.0
545.34503	5.2
559.36310	18.4
560.36237	1.6
621.41162	1.8
639.42554	21.3
640.42340	1.4
657.43585	2.5
854.44891	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	17.8
65.03921	4.5
66.09976	1.3
67.05503	100.0
69.03428	8.2
69.06734	1.5
69.07070	19.8
69.66139	1.9
69.66547	8.8
70.06580	1.3
71.01318	1.5
71.04982	6.6
71.08636	1.7
73.02907	5.7
73.53642	1.3
74.83558	1.5
79.05490	41.1
81.03419	16.8
81.07053	82.5
83.04985	12.4
83.08617	24.4
85.02428	2.6
85.02907	30.2
85.06525	6.5
87.04467	4.6
91.03959	10.4
91.05480	33.7
93.07041	52.7
95.04978	11.3
95.08608	25.5
97.02898	13.8
97.06534	13.9
97.10172	12.9
98.20835	2.7
99.04431	2.4
99.08099	1.8
105.07026	17.5
107.04935	3.8
107.08595	30.8
109.02857	1.7
109.06513	4.0
109.10152	56.0
111.04383	2.0
111.08070	7.6
117.07011	8.6
119.08573	12.0
121.06535	2.4
121.10139	13.6
122.10607	1.4
123.08087	3.4
123.11701	4.0
125.09618	11.2
127.03919	5.2
129.05472	8.1
129.07014	2.2
131.08556	13.3
133.10121	15.2
135.08006	2.3
135.11691	10.6
137.09612	4.3
143.07047	2.0
143.08533	3.3
143.10651	2.1
145.04945	5.7
145.10127	4.5
147.08057	1.7
147.11684	6.2
149.09660	2.9
149.13274	12.2
151.11137	2.7
153.12708	3.1
155.10699	1.9
157.10086	2.4
159.11659	7.9
163.05986	8.9
163.11174	8.5
165.12790	3.8
173.09593	2.8
173.11752	13.4
177.12732	5.9
181.12207	2.8
185.11723	2.1
191.10681	2.5
193.12265	6.4
195.12148	2.1
195.13815	14.7
199.13245	10.7
199.27290	1.4
209.11621	7.4
211.13147	2.0
213.14935	2.4
227.12811	6.9
229.14336	50.7
230.14659	1.5
239.16483	2.5
257.13855	5.5
267.15909	9.7
269.17474	67.3
283.15378	7.5
285.16983	2.3
301.16492	20.3
393.26358	2.2
411.27417	5.7
423.27365	45.9
431.28015	2.1
457.77917	1.5
463.30307	1.8
477.28290	5.3
495.29504	91.2
496.29410	2.4
513.30481	25.3
641.16455	1.9
776.08600	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93882	1.4
61.02929	19.0
61.72128	1.7
65.03932	5.5
67.05502	99.3
69.03427	7.8
69.07066	17.3
70.88142	4.1
71.01360	2.1
71.04995	6.2
71.08627	1.5
73.02910	9.5
79.05491	40.0
81.03420	15.6
81.07053	75.0
83.04971	12.6
83.08617	25.0
85.02427	2.5
85.02905	32.4
85.06548	5.6
87.04469	5.3
91.03964	11.0
91.05480	30.0
93.07037	44.0
95.04971	12.1
95.08607	26.3
97.02888	15.9
97.06517	10.4
97.10179	13.4
99.04445	3.6
99.08092	1.8
103.03918	1.6
105.07017	12.8
107.04969	4.1
107.08587	31.0
109.02870	1.4
109.06507	4.2
109.10152	58.4
111.04447	2.8
111.08060	5.7
113.09653	1.6
115.05473	1.5
117.06990	9.1
119.08574	12.8
120.04478	1.8
121.06516	4.7
121.10143	13.0
123.08089	2.8
123.11723	4.6
125.09641	13.5
127.03918	5.7
129.05470	5.9
129.07013	1.9
131.08583	9.6
133.10110	13.0
135.08034	2.7
135.11678	10.9
136.06232	1.6
137.09624	4.5
143.10739	2.4
145.04988	3.8
145.06470	1.4
145.10124	5.7
147.08023	3.1
147.11707	7.2
149.09633	2.9
149.13245	11.9
153.12752	4.1
155.08542	2.4
155.10651	3.5
157.10120	2.2
159.11681	7.6
163.06032	5.9
163.11162	9.8
165.12752	4.7
173.11734	17.4
175.11227	2.4
177.12761	5.5
181.12181	2.1
189.11276	1.3
191.10722	5.0
193.12238	8.5
195.13808	15.2
199.13266	6.6
209.11717	10.0
211.13272	6.0
211.15231	1.3
213.14886	3.1
227.12764	11.3
229.14340	54.5
239.16420	4.4
267.15872	13.6
269.17474	63.3
283.15408	7.6
295.19019	1.7
297.16937	1.7
299.10739	1.3
301.16440	22.6
313.16455	2.5
323.18634	2.6
353.69858	1.4
357.24094	1.8
393.26245	3.6
411.27240	6.0
423.27396	47.8
431.27753	3.6
449.29120	2.7
477.28510	3.8
495.29510	100.0
496.29950	2.6
513.30560	37.6
621.16083	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04527	0.6
60.05651	2.3
61.60003	0.4
65.03915	1.5
67.05477	0.6
69.03420	2.9
69.07063	2.0
70.06571	1.5
70.74629	0.8
70.74999	0.8
71.04986	0.8
72.08147	11.4
73.02911	0.4
79.05496	2.1
81.03413	2.1
81.07035	1.1
83.04966	1.3
85.02894	3.5
89.10760	1.4
91.05476	10.2
93.07037	2.0
95.04955	1.0
95.06102	0.4
97.02887	1.9
97.06531	3.7
97.07642	2.2
98.06032	1.0
99.04434	1.7
103.05432	0.5
105.06377	0.6
105.07029	7.2
107.04928	0.9
107.08599	1.9
108.04475	1.3
109.02849	0.9
109.06493	1.0
110.07120	0.6
111.05535	0.6
114.10286	19.8
115.08685	2.8
117.07016	1.3
119.04938	20.8
119.08576	0.9
121.06496	4.1
121.10036	0.6
123.05496	0.6
125.05957	2.5
126.06709	0.4
127.03907	0.7
128.06219	0.6
131.08557	1.8
131.12912	2.2
133.06483	1.8
135.08110	0.4
137.05984	1.1
138.10216	0.4
139.08679	0.7
141.06554	0.4
143.08539	0.9
144.09319	0.6
145.06464	1.1
145.10112	6.8
147.04401	100.0
148.04704	0.9
149.05942	0.6
155.08514	1.0
155.12877	0.9
156.11296	1.9
157.10904	0.8
158.07278	1.0
159.08031	1.0
159.11696	2.7
163.11171	1.5
164.07054	0.5
169.10130	1.3
171.08025	0.5
172.08798	0.6
173.09615	5.8
177.05460	0.5
187.11148	5.2
191.10693	1.3
197.09598	0.6
197.13965	0.5
205.12239	1.6
207.06526	0.5
215.10609	2.8
217.13344	6.4
218.11723	4.9
233.11769	0.9
235.14418	1.0
260.13898	5.5
277.16589	8.3
319.17697	0.9
439.21899	0.6
689.34314	1.8
719.32935	0.4
803.92871	0.5
851.39154	63.2
852.40430	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	848.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	4.0
59.36271	0.9
61.02919	11.0
63.32479	0.9
65.03929	3.1
67.05502	100.0
68.05834	1.9
69.03413	2.5
69.07067	9.4
69.54205	9.2
71.04982	4.1
73.02898	3.3
79.05492	25.9
81.03412	2.0
81.07052	41.3
83.04938	1.4
83.08620	8.6
85.02905	16.0
85.06515	2.7
86.09701	2.3
87.04433	1.4
91.03957	7.7
91.05471	18.9
91.71719	0.9
93.07037	31.3
95.04957	3.2
95.08602	30.7
95.09108	0.7
97.02911	8.1
97.06517	2.6
97.10162	3.1
98.21585	1.4
105.07021	10.9
107.08581	18.2
109.06546	2.3
109.10149	76.4
110.10489	1.4
111.08051	4.1
117.07008	4.7
119.08571	14.6
121.10118	12.8
123.11691	5.7
125.09678	1.7
127.03916	4.4
131.08603	7.5
133.10152	6.7
135.11691	10.1
137.09634	3.6
139.11116	1.0
145.04924	3.0
145.10135	6.4
147.11711	4.5
149.13263	6.0
155.10660	2.4
159.11710	4.1
161.13257	3.7
163.06027	4.5
163.14833	2.7
173.11769	21.2
173.13272	3.6
177.16386	1.2
184.07341	2.6
185.13277	1.5
187.14841	2.7
227.12769	6.3
229.14336	97.0
230.14883	1.7
243.21063	6.3
259.20343	1.1
261.22110	20.6
317.24744	3.3
333.24106	1.3
335.25775	74.2
336.26035	3.0
397.30865	1.8
400.32217	1.2
415.32288	1.5
471.34872	2.3
489.35718	74.3
490.36215	1.9
507.36710	5.7
545.07184	1.1
687.58533	1.3
721.61047	1.4
731.14410	1.2
848.49957	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	3.9
59.61418	1.1
61.02927	12.4
61.76917	1.1
65.03944	2.7
67.05505	100.0
68.05833	1.7
69.03411	3.6
69.07070	8.3
71.04984	3.9
71.20084	1.9
71.20423	2.3
73.02911	4.2
79.05494	17.9
80.75721	1.0
81.03413	2.3
81.07061	37.8
83.04969	1.1
83.08627	7.9
85.02903	14.6
85.06528	3.3
86.09715	1.9
91.03962	9.2
91.05484	13.8
93.07047	24.6
95.04980	3.0
95.08608	27.0
97.02898	7.0
97.06519	1.4
97.10204	2.6
99.04439	1.2
105.07030	6.9
107.08600	15.9
109.06497	1.5
109.10159	80.8
110.10503	1.4
111.08082	4.4
117.06997	3.0
119.08573	9.6
121.10151	14.4
123.11716	4.7
125.09622	2.7
127.03911	3.9
131.08559	6.6
133.10162	5.6
135.11690	8.1
137.09637	2.9
145.04951	3.1
145.10144	5.7
147.11690	6.2
149.13261	5.5
155.10706	3.7
159.11676	3.3
161.13248	1.5
163.06007	3.7
163.14839	3.6
164.53720	1.1
173.11758	25.8
173.13249	3.7
175.14836	1.3
184.07350	4.8
187.14876	2.2
189.11221	1.6
217.23720	1.2
221.25169	1.0
227.12740	6.7
229.14355	99.1
230.14865	1.2
239.58899	1.1
243.21016	6.0
252.19392	1.0
261.22122	19.3
262.22461	1.1
291.54559	1.1
317.24789	4.2
335.25806	67.7
336.26221	3.6
397.30969	1.9
415.32172	1.3
471.34598	1.7
489.35788	41.9
490.36218	2.3
507.36871	6.5
749.90796	1.1
848.50153	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	845.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	4.3
65.03938	0.5
67.05504	5.7
69.03419	2.8
69.07063	2.4
73.02917	3.7
75.27945	0.4
79.05489	5.5
79.47870	0.4
80.69798	0.5
81.03416	2.0
81.07055	5.2
83.08630	1.5
85.02906	3.6
91.03955	2.6
91.05480	5.2
93.07044	4.5
95.04979	1.4
95.08598	2.6
97.02901	3.8
97.10169	0.7
98.21512	1.4
99.04472	0.6
101.02391	1.8
103.03959	0.6
105.07034	3.2
107.08579	2.7
109.02945	0.5
109.10176	0.9
117.07025	1.2
119.08572	2.8
121.10155	1.7
127.03942	1.6
129.07048	0.7
131.08586	1.9
133.10156	2.1
135.11711	1.0
145.10120	0.6
146.60185	0.6
147.11728	0.9
149.09776	0.4
171.11755	0.5
185.04236	0.7
243.08389	3.4
301.09073	1.4
306.89127	0.5
313.09253	0.8
315.10602	0.7
333.20227	2.7
373.23599	0.5
389.23199	0.4
429.17719	0.8
465.20895	1.0
517.84106	0.5
535.28711	9.2
541.22980	0.6
551.28302	6.0
623.30542	1.4
651.35071	0.5
728.97620	0.5
845.50165	100.0
846.50330	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	844.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41304	0.4
60.08173	0.5
61.02923	2.2
67.05504	6.7
69.03426	1.1
69.07078	2.5
71.04987	0.4
71.58199	0.8
73.02912	0.8
79.05502	5.1
81.03413	0.7
81.07061	5.9
83.08614	1.6
85.02909	2.0
86.09718	2.3
91.03953	0.7
91.05492	2.5
93.07047	5.1
94.04082	0.6
95.04966	1.1
95.08627	4.0
97.02914	2.1
105.07010	1.5
107.08609	2.1
109.06497	0.5
109.10167	1.5
119.03552	1.4
119.08595	1.3
121.10163	1.9
123.11697	0.6
125.00011	2.0
131.08568	1.0
133.10127	1.1
135.11676	0.7
136.06189	100.0
137.04659	1.0
138.48048	0.4
149.13252	1.2
152.05681	5.1
153.04070	0.7
165.08781	0.4
184.07344	9.2
185.07648	0.5
192.08846	0.6
195.13744	0.6
269.17496	0.7
286.16602	0.6
302.19806	0.8
330.15228	0.6
330.19223	11.7
335.25748	4.1
348.20319	0.9
353.22086	0.5
404.22870	2.2
422.23987	6.3
492.24408	0.7
505.38800	1.4
516.17719	0.5
540.42078	0.5
664.44720	0.8
672.42670	1.2
682.45380	53.8
683.45532	1.2
724.46924	0.6
844.49908	14.1
845.50586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67634	0.7
60.08172	0.7
61.02929	4.2
67.05513	4.8
67.20453	0.7
68.29243	0.7
68.69794	0.7
69.03435	2.3
69.07072	2.7
69.61289	5.7
71.65401	0.7
73.02921	2.7
75.97231	0.7
79.05497	4.7
81.03413	1.8
81.07056	4.2
83.05006	1.0
84.77805	0.7
85.02927	3.9
86.09722	1.5
87.10072	0.7
91.03967	2.5
91.05487	4.7
93.07057	4.8
95.04979	1.0
95.08621	2.7
97.02880	3.7
98.21536	0.9
99.04479	0.9
101.02384	2.1
105.07059	3.1
107.08599	2.8
109.10133	0.9
117.07071	0.9
119.08622	2.0
121.10136	1.4
125.00027	1.1
131.08600	1.5
133.10153	2.1
136.06238	1.9
144.15016	0.7
145.10152	0.9
147.11674	1.4
149.13396	0.9
161.13394	0.8
164.36734	0.7
184.07300	8.1
185.04387	0.9
185.07791	0.7
243.08507	3.1
301.09009	2.2
307.00098	0.7
333.20523	2.1
341.12070	0.9
373.11279	0.8
385.18408	1.0
387.10886	0.7
465.21167	1.8
535.28900	7.1
551.28070	5.9
623.30695	1.5
652.63507	0.9
750.03070	0.8
845.50128	100.0
846.49585	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	843.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.6
61.77381	0.9
67.05506	12.1
69.03431	3.9
69.07080	4.3
73.02927	3.1
73.64779	0.8
79.05488	8.6
81.03426	1.8
81.07066	10.7
82.78819	0.8
83.05003	0.9
83.08629	2.1
85.02911	4.2
85.06586	0.8
86.09738	1.2
91.03964	2.3
91.05480	6.1
93.07050	8.5
94.07375	1.3
95.04987	1.8
95.08611	6.0
97.02907	3.6
97.10178	1.0
101.02383	1.1
105.07037	4.6
107.08601	5.6
109.10168	4.2
114.68477	0.8
117.07022	2.2
119.08572	4.5
121.10181	3.6
122.10505	0.7
125.09646	1.2
127.03914	1.0
131.08604	1.8
133.10170	2.9
134.10495	1.0
135.11723	1.8
139.39320	1.0
145.10161	2.5
147.11682	1.8
149.13316	1.2
159.11786	1.2
161.13281	0.9
184.07384	1.5
185.04312	1.1
222.76712	1.1
223.13409	1.6
227.12718	1.2
229.14339	2.0
243.08528	3.0
269.17612	1.5
275.20050	1.7
291.19699	1.3
296.68304	1.1
301.09024	1.9
315.10388	0.9
326.15384	0.8
331.18936	1.6
335.25919	3.9
336.26123	4.2
349.23929	0.9
350.24341	1.0
361.67542	1.0
490.36368	1.4
529.39154	1.4
530.39215	3.7
535.28748	7.2
549.26556	5.5
610.45819	2.7
628.46790	0.9
843.48547	100.0
844.49615	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	843.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.2
67.05498	6.8
69.03437	4.7
69.07068	2.1
69.31631	14.4
71.05015	1.4
73.02920	3.0
76.13199	1.1
79.05497	5.2
81.03423	3.0
81.07051	4.8
85.02908	3.8
86.88602	1.3
90.58530	1.3
91.03952	2.8
91.05466	7.3
93.07050	5.6
95.04992	2.5
95.08626	2.8
97.02893	3.6
97.60544	1.4
98.21508	3.1
99.75059	1.2
101.02404	2.7
105.07043	4.2
107.08584	3.1
109.10193	2.8
119.08596	2.4
121.10178	2.1
126.55989	1.3
127.04014	1.4
131.08572	1.7
133.10167	4.1
184.07352	1.6
184.73434	1.1
185.04234	1.5
200.40996	1.5
243.08557	3.4
259.38281	1.5
331.18936	3.3
452.75668	1.3
531.26105	1.7
535.29034	10.8
549.26581	6.0
589.38397	1.5
745.41577	3.1
825.47736	13.2
843.48547	100.0
844.48541	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	842.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34691	3.4
65.03938	5.4
67.05500	100.0
68.00360	3.3
69.03409	3.9
69.07071	20.0
70.76982	6.0
70.77350	9.0
71.04997	3.5
71.08625	3.4
76.21913	3.6
79.05486	48.8
81.07050	79.2
83.04958	4.5
83.08622	20.3
85.02909	5.7
85.06487	4.3
91.05474	38.6
93.07036	49.2
95.04951	5.3
95.08604	50.4
97.06532	5.7
97.10164	17.1
105.07020	26.0
107.08598	31.9
109.06525	4.2
109.10142	54.9
117.07003	8.5
119.08595	19.3
121.10150	20.2
123.11675	6.5
125.09604	15.7
131.08554	10.9
133.10147	18.6
133.28438	3.7
135.11671	14.4
135.24037	3.4
145.10097	12.6
147.11679	9.6
149.09622	6.4
149.13280	5.7
152.21715	3.9
159.11702	7.6
161.13174	4.0
171.11780	5.3
173.11748	10.3
173.13231	7.9
184.07320	12.3
187.14795	3.5
189.11220	12.0
227.12753	29.7
229.14326	41.2
245.13821	19.1
261.22247	12.0
275.20157	18.6
293.21405	3.6
303.02054	3.5
313.27274	15.4
329.59399	3.6
335.25757	80.9
349.23636	13.9
351.66800	3.9
353.33337	3.9
367.24829	10.3
483.36804	8.5
489.35727	39.0
529.38715	19.1
609.45087	26.9
627.45874	13.8
843.48584	19.1
870.34723	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	842.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	100.0
67.38072	4.3
69.07065	25.8
70.74152	12.7
70.74520	5.0
71.04969	5.7
79.05489	55.1
81.03413	5.3
81.07059	86.2
83.05007	5.5
83.08611	13.3
86.09698	8.4
88.88023	4.1
91.05472	40.4
93.07038	58.4
93.75136	4.2
95.04961	10.0
95.08602	50.8
97.06512	7.0
97.10138	5.2
98.21368	5.0
105.07027	29.6
107.04973	7.4
107.08587	40.6
109.10140	39.4
117.07042	10.6
119.08611	29.7
121.10138	20.6
123.11647	7.4
124.99961	7.7
131.08554	23.9
133.10114	18.4
135.11679	17.9
137.13210	4.1
145.10100	10.7
147.11652	13.2
149.09653	6.5
149.13287	11.3
153.47073	4.2
157.10164	4.9
159.11678	12.4
161.13263	7.3
173.11749	7.8
173.13167	7.1
175.14803	5.6
184.07320	27.2
214.09906	4.2
227.12686	5.5
229.14313	29.9
251.67220	4.8
257.18976	9.6
261.22015	11.6
269.17532	25.8
275.20038	18.3
293.21310	6.4
335.22034	8.1
335.25790	94.3
349.23700	24.2
367.24713	15.5
489.35803	27.0
529.38898	43.3
609.45343	27.7
627.46173	11.5
842.47192	8.9
843.48590	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	842.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.0
67.05499	8.9
69.03428	26.9
69.07061	2.9
70.06583	2.4
70.63693	1.7
70.64062	4.5
71.01357	4.1
71.04989	7.7
73.02906	3.4
75.04486	4.9
79.05493	19.3
81.03410	3.7
81.07056	15.5
83.04981	34.7
84.04509	5.3
85.02902	25.5
85.06545	2.8
91.05483	49.7
93.03448	1.6
93.07044	74.8
94.07312	1.5
94.36456	1.4
95.04971	12.2
95.08616	9.0
97.02895	6.5
97.06538	2.3
99.04462	2.3
100.66835	1.5
103.05486	2.8
105.07027	15.1
105.69330	1.5
107.04966	3.5
107.08590	14.0
109.02893	1.5
109.06525	5.1
109.10206	2.0
111.04454	20.0
111.08094	3.6
113.06033	2.1
115.05480	1.4
117.07021	16.6
118.08021	1.3
119.08582	85.0
120.04476	2.1
121.06498	9.8
121.10144	40.7
123.04446	1.9
123.08101	3.9
125.05970	2.1
126.05518	4.6
128.06284	2.5
129.05478	13.8
129.07004	6.6
131.08571	8.7
132.32399	1.5
133.06549	1.6
133.10156	3.3
135.04384	1.6
135.08040	11.4
136.06210	4.0
137.05986	4.0
137.09613	7.2
138.05550	3.0
139.11203	2.0
141.06953	1.7
142.07758	1.8
143.08557	4.2
145.06477	3.2
145.10126	4.1
147.08035	44.5
149.05916	2.3
149.09612	12.2
154.44582	1.3
155.07025	3.1
155.08575	1.9
157.10139	3.0
159.08023	2.5
159.11711	2.1
161.05946	1.6
161.09558	3.2
161.13295	2.0
163.07521	5.7
165.09129	25.5
167.07101	1.8
167.10704	14.7
171.08043	3.6
171.11742	2.3
174.09129	1.8
175.11208	3.0
181.08611	4.8
183.10196	24.5
185.09673	2.5
187.07602	2.1
187.11148	2.3
189.09126	4.5
189.12837	1.6
191.10667	2.6
193.08612	1.5
203.10681	4.2
204.08632	4.2
213.12700	1.6
217.12263	1.6
229.12315	3.6
231.10127	3.8
231.13840	2.5
233.11751	4.0
247.13289	2.2
251.12895	1.7
257.11810	4.0
259.13290	2.4
272.20099	1.4
275.12851	8.1
277.14304	4.5
281.13864	3.6
284.52899	1.6
293.13831	19.9
295.15390	46.3
296.15900	2.1
308.22787	1.6
311.14890	100.0
313.16397	16.7
459.23770	3.4
605.29114	2.6
810.29291	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.0
65.03931	0.3
67.02982	0.2
67.05502	1.4
69.03426	0.9
69.07064	0.3
70.06582	0.3
71.01350	0.2
71.04996	0.7
71.58147	0.1
72.04468	0.1
73.02906	0.8
79.05486	1.6
81.03415	9.1
81.07053	1.6
83.04984	1.0
83.08615	1.8
84.04515	0.3
84.08159	0.2
85.02904	1.1
85.06521	0.2
89.07713	0.1
91.03938	0.2
91.05479	2.2
93.07042	1.4
95.04964	3.0
95.08595	0.6
97.02885	1.2
97.06552	0.2
97.10164	0.2
99.04463	0.2
99.08118	0.1
105.07034	1.6
107.04958	0.7
107.05589	0.1
107.08608	0.6
109.05109	0.1
109.06506	0.4
109.10155	0.2
111.04430	0.3
111.08052	0.8
115.03950	0.2
115.05408	0.2
117.07022	0.3
119.03548	0.9
119.04923	0.2
119.08565	1.4
121.06499	0.4
121.10133	0.9
123.04431	0.1
123.08070	0.2
126.05480	0.2
127.03844	0.2
128.06200	0.1
129.07014	0.9
131.05011	0.2
131.08539	0.9
133.06479	0.5
133.10133	0.7
136.06178	100.0
137.04604	1.6
137.06656	0.6
137.09605	0.2
142.07744	0.2
143.08459	0.2
145.04988	0.1
145.10133	0.2
147.04387	0.2
147.08041	0.4
147.11671	0.8
149.09618	0.7
152.05663	1.6
153.04077	0.2
157.10092	1.1
159.11734	0.1
162.07683	1.1
162.08977	0.2
171.07892	0.1
175.11163	1.1
177.05518	0.3
178.07281	0.1
184.07420	0.2
187.11169	0.1
193.12238	3.0
195.11502	0.1
203.09819	0.1
204.08698	0.2
207.06525	0.1
211.13316	0.3
249.14856	0.2
267.15900	10.4
268.16354	0.2
298.11511	0.2
319.62225	0.1
367.22989	0.2
385.23608	0.4
459.27408	4.3
477.28442	1.4
491.30099	0.2
509.31015	0.2
567.29663	0.1
612.33887	1.2
630.34857	2.6
662.37317	0.3
680.38837	0.2
774.39142	1.5
792.40125	1.8
806.41351	0.3
824.42303	0.5
842.36694	0.2
843.35400	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	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	81.5
69.03443	7.8
69.07065	36.4
72.64291	4.9
79.05489	76.3
81.03419	8.8
81.07059	100.0
83.08627	18.4
85.02931	5.8
85.06563	7.1
86.09706	14.0
91.05480	71.8
93.07044	75.4
95.04971	16.0
95.08614	48.1
97.06544	10.1
97.10172	10.5
105.07027	86.3
107.04942	6.5
107.08587	45.9
109.06500	25.7
109.10128	24.8
117.07016	21.3
119.08578	70.4
121.06434	6.3
121.10143	30.0
123.08042	11.6
123.11697	9.7
124.83571	5.2
125.09573	6.4
129.07002	9.0
131.08556	32.2
133.10127	49.1
135.07988	4.7
135.11684	17.7
136.06192	44.5
137.09563	6.7
137.13144	6.5
143.08577	10.1
145.10092	30.3
147.11668	50.8
149.09589	13.2
149.13278	12.6
155.08575	6.4
157.10118	14.4
159.11714	23.0
161.13274	27.4
163.11276	9.3
165.12791	10.4
171.11635	14.7
173.13284	9.3
175.11234	5.6
175.14810	11.8
183.11705	8.2
184.07376	18.2
185.13248	8.9
239.18050	7.9
241.19518	17.3
257.19083	9.2
259.20551	64.3
260.60516	5.6
275.20041	76.4
291.19510	13.1
292.19867	8.1
293.21054	11.8
315.23343	6.5
333.24167	94.2
333.27750	9.7
349.23666	19.0
367.24908	55.6
533.39532	10.9
545.37976	6.9
551.41058	9.1
607.43201	20.2
625.44617	53.4
643.45441	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	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90606	4.1
67.05505	66.9
69.03437	5.8
69.07058	26.7
71.03351	11.0
79.05490	71.5
81.03371	9.5
81.07055	66.0
83.04960	5.7
83.08611	24.3
85.02893	7.6
86.09703	5.0
90.74607	4.4
91.05480	67.6
93.07041	64.2
93.07624	5.5
94.74551	4.2
95.04974	9.3
95.08614	40.9
97.02840	4.7
97.06506	7.2
97.10175	35.2
105.07037	68.5
107.04883	5.5
107.08593	64.1
109.06466	6.7
109.10158	28.3
111.08053	6.3
117.07008	28.9
119.08575	46.9
120.08136	5.4
121.09305	3.7
121.10136	19.2
123.11699	15.5
124.99965	6.3
125.09599	29.9
129.07004	15.6
131.08568	32.8
133.06470	4.6
133.10117	49.8
135.08038	5.1
135.11699	16.1
141.06987	6.4
142.44058	4.0
143.08566	18.2
145.10121	39.4
147.11731	32.6
149.09550	7.2
149.13269	5.8
155.08559	10.9
157.10104	13.4
159.11646	27.4
161.13246	13.3
167.08572	5.0
169.10126	19.5
171.11742	21.1
173.13275	14.7
173.21075	4.7
175.14839	8.9
181.10059	5.1
183.11687	15.2
184.07324	12.7
185.13290	16.3
187.13275	5.9
187.14812	5.5
189.11246	18.4
195.11632	4.9
197.13304	12.0
199.14804	7.5
209.13252	8.3
211.14880	6.8
213.16379	5.8
223.14864	5.2
227.12816	24.8
241.19568	8.1
243.15916	4.7
245.13609	5.4
253.19592	6.2
257.18991	14.0
259.20544	27.8
275.20120	20.4
315.23138	5.8
329.92719	3.9
333.24164	18.3
339.18927	3.9
349.23715	20.9
365.28397	16.8
371.47574	4.1
383.29684	8.2
394.58032	3.9
439.32269	4.9
513.35870	9.3
515.38647	12.3
533.39832	7.0
548.64978	4.3
607.43634	68.4
625.44678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	100.0
69.03416	6.1
69.07066	46.2
69.12418	4.6
69.94029	7.7
69.94437	22.3
71.04982	6.5
73.02940	6.3
79.05065	7.3
79.05489	79.2
81.03426	11.1
81.07049	82.3
83.04969	9.9
83.08613	26.8
85.02902	9.2
85.06522	7.1
91.04961	8.1
91.05477	86.7
93.07047	83.5
95.04955	18.1
95.08606	53.6
97.02904	8.2
97.06500	12.9
97.10181	28.6
103.05493	4.6
105.07028	81.9
107.04944	13.2
107.08591	66.4
109.06484	7.3
109.10151	27.4
111.08080	5.9
115.05487	4.3
117.06998	30.7
119.08577	57.4
121.06497	7.0
121.10143	26.9
123.11681	7.9
125.09612	15.1
128.06171	9.9
129.07025	28.6
131.08557	40.3
133.10124	54.3
135.11678	21.6
137.09575	4.6
141.07001	9.3
142.07767	5.9
143.08530	22.7
145.10109	37.2
147.11684	36.1
149.09581	11.5
149.13329	9.7
151.11186	4.9
155.08540	11.5
157.10114	22.1
159.11679	24.9
161.13274	21.8
163.11137	10.5
169.10101	13.1
171.11691	19.5
173.13219	18.9
175.14848	7.1
179.08508	6.0
179.14302	5.2
181.10120	9.9
183.11690	16.4
185.13258	18.4
195.11739	6.4
197.13232	8.3
199.14862	9.4
209.13158	7.6
213.16461	7.0
221.13181	5.5
227.12766	15.4
229.14331	5.3
237.16539	5.2
241.19516	11.5
255.15814	5.5
257.19000	12.5
259.20523	31.8
269.17560	11.5
275.19968	30.1
276.20566	6.7
315.23285	6.5
333.11591	6.3
333.24411	26.1
349.23788	23.7
421.30984	8.0
435.32428	7.0
474.02005	6.1
513.35657	22.4
515.38599	6.9
527.37189	18.4
576.80090	4.9
607.44080	32.2
625.44476	37.5
647.48755	5.0
784.35718	5.2
793.03119	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	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	6.7
65.03908	10.3
67.05508	82.2
69.03415	13.8
69.07056	30.6
71.58226	9.0
72.09729	7.5
72.32449	8.4
73.02912	6.9
79.05492	95.4
81.03408	16.3
81.07051	98.9
83.04951	10.9
83.08601	11.6
85.02901	11.7
86.09705	20.9
91.05477	100.0
93.07049	91.0
95.04959	21.8
95.08614	48.6
97.06535	14.2
97.10174	12.2
105.07018	83.4
107.04950	9.3
107.08615	54.4
109.06525	7.1
109.10146	32.6
109.22678	8.7
111.08048	11.6
117.07012	42.1
119.08585	49.0
121.10143	30.1
123.08121	11.0
124.99982	12.5
125.09650	8.1
127.03889	10.5
129.06976	19.1
131.08566	46.6
133.10143	51.2
135.11699	13.6
136.06209	9.7
141.07002	11.5
143.08551	24.3
145.10098	46.4
147.11684	31.6
149.09639	13.1
149.13272	11.8
155.08524	8.5
157.10106	21.3
159.11703	30.7
161.13257	21.8
169.10150	17.8
170.80739	7.7
171.11703	23.4
173.13214	10.1
181.10159	11.4
183.11653	11.0
184.07368	62.4
185.13115	11.0
187.14886	16.0
189.11267	8.5
193.09998	8.9
194.42078	7.7
255.15877	8.9
259.20554	26.8
269.17542	11.7
275.19992	36.8
293.21011	8.1
333.24384	35.3
349.23627	23.1
417.85138	7.8
513.35712	11.4
527.37048	21.8
533.39490	10.0
596.42694	8.8
607.43292	29.1
625.44318	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82837	2.3
63.73013	2.4
67.05504	31.2
69.03431	5.1
69.07085	14.6
71.08643	3.2
71.59048	5.7
79.05498	27.9
81.03428	7.8
81.07049	32.4
82.07867	2.4
83.05000	3.2
83.08626	9.9
85.15643	2.5
85.48484	2.5
86.09704	3.9
91.05486	31.5
93.07040	27.2
95.04971	9.7
95.08607	18.3
97.02874	7.5
97.06565	3.9
97.10167	6.9
103.04013	2.7
105.07033	31.2
107.04967	6.4
107.08605	13.5
108.13077	2.4
109.02859	2.6
109.06569	3.3
109.10126	15.0
111.61031	2.5
117.07029	9.5
119.08575	23.7
121.10161	8.3
125.09668	7.7
129.07022	7.8
131.08563	13.7
133.10153	19.3
135.11633	4.6
136.06187	100.0
143.08534	6.0
145.10201	14.1
147.08026	3.3
147.11647	13.0
149.13222	3.0
155.08563	2.8
157.10078	5.8
159.11668	7.1
161.09729	3.2
161.13251	6.2
163.11256	3.2
171.11699	6.2
173.13271	4.7
175.11201	3.6
183.11696	3.4
184.07353	7.8
185.13237	5.0
189.11272	3.1
223.13274	5.9
241.19514	6.5
259.20535	15.6
267.15808	4.0
273.18564	4.7
275.20215	6.4
291.19562	38.1
293.21091	2.7
313.27499	5.9
333.24313	15.9
365.23224	16.2
365.27261	3.6
367.25531	2.7
387.64648	3.2
482.83597	3.0
525.35596	6.9
543.36530	6.9
607.30750	2.6
621.07904	2.7
623.43262	23.7
676.46350	3.7
838.51465	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	3.4
67.05502	84.9
69.03423	6.4
69.07066	26.3
70.25990	17.2
70.41293	3.4
71.04974	7.9
71.08640	4.2
74.35962	3.3
75.64451	3.8
79.05066	5.7
79.05492	72.8
81.03416	9.7
81.06585	5.0
81.07054	76.0
82.07427	3.6
83.04965	12.3
83.08617	12.0
85.06543	7.4
91.05479	95.3
93.07043	69.9
95.04955	16.6
95.08604	50.9
97.06512	10.2
97.10143	6.8
103.05462	4.4
105.07024	100.0
107.04996	8.8
107.08594	59.0
109.06501	13.6
109.10153	45.4
117.07016	23.4
119.08572	60.8
121.06479	10.4
121.10145	26.3
123.08025	5.7
123.11687	10.4
128.06221	4.1
129.06972	15.0
131.08549	39.7
133.06531	5.0
133.10135	93.2
135.08049	11.5
135.11681	18.3
136.06181	28.3
137.09583	5.9
142.07741	4.2
143.08553	15.4
145.10112	24.8
147.08015	5.6
147.11688	30.5
149.09616	10.4
149.13254	5.9
151.11206	23.9
155.08597	5.9
157.10118	16.3
159.11691	19.9
161.09576	11.2
161.13263	18.3
163.11217	6.6
163.14903	4.7
169.10188	6.5
169.12234	5.5
171.11722	15.9
173.13237	9.1
175.14761	10.8
177.12592	4.6
183.11559	6.9
185.13269	10.3
187.11151	5.9
187.14740	4.8
197.13171	5.5
199.14871	5.6
227.17918	4.4
241.19554	16.7
245.19131	6.6
253.14371	40.6
257.18848	5.9
259.20599	40.9
273.18536	15.7
275.19882	4.7
291.19522	17.5
315.23227	8.4
333.24271	37.4
365.23157	25.1
511.34048	9.3
529.35065	10.8
531.37756	5.4
549.39349	4.7
558.76929	3.8
605.41345	12.1
623.43042	37.1
641.43829	4.6
674.55743	4.4
874.94611	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	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	6.6
61.79702	1.3
67.05505	5.3
69.03414	2.4
69.07086	1.4
69.28452	15.8
73.02919	4.8
73.21294	1.2
79.05509	4.5
81.03442	1.7
81.07043	7.1
85.02914	4.5
91.03959	3.6
91.05513	2.2
93.07041	3.7
95.08620	4.2
97.02888	5.0
101.02394	1.7
105.07034	1.7
107.08627	2.3
119.08575	1.7
121.10159	1.8
134.65601	1.4
135.11726	1.4
150.06726	1.3
229.02852	1.3
234.80853	1.2
352.67374	1.3
443.12805	1.5
519.29590	8.7
551.28473	4.1
690.32593	1.3
829.50677	100.0
830.50433	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	829.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	4.2
61.36352	0.5
67.05503	4.8
69.03429	3.1
69.07069	1.8
70.28490	0.6
70.28841	1.9
73.02905	3.6
75.31728	0.4
79.05499	6.2
81.03424	2.1
81.07049	4.8
83.04994	0.7
83.08643	1.0
85.02909	4.2
86.09695	0.9
87.04490	0.5
91.03957	2.8
91.05483	5.6
93.07050	6.0
95.04967	1.0
95.08612	3.5
97.02911	4.5
98.20826	0.8
99.04454	0.9
101.02393	1.8
105.07032	4.1
107.08603	2.4
109.02931	0.8
109.06538	0.6
109.10188	1.5
117.07028	1.3
119.08571	3.4
121.10172	1.5
125.00009	0.6
125.09554	0.5
125.26390	0.4
127.03858	0.9
129.07011	0.7
131.08588	2.1
133.10120	2.6
135.11707	1.8
143.08617	0.9
145.10133	1.2
147.11723	1.4
155.33664	0.5
157.10234	0.5
159.11700	0.7
161.13274	0.6
173.13321	0.7
184.07352	2.3
185.04253	1.1
214.59023	0.5
224.43385	0.5
243.08446	3.6
259.20718	0.9
279.16013	0.5
301.09128	1.9
313.09146	0.7
315.10507	1.3
317.20941	0.8
388.68036	0.5
397.18527	0.5
465.21094	1.8
525.23035	1.6
535.28748	15.9
536.29260	1.1
607.31226	2.0
635.34265	0.6
717.83344	0.5
759.43146	0.8
829.50690	100.0
830.50909	8.7
863.51935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.4
67.05499	6.6
69.03414	2.8
69.07057	3.2
70.64642	2.4
70.65008	2.3
73.02922	3.7
75.34081	1.3
76.60602	1.1
79.05499	5.2
80.95238	1.1
81.03411	1.7
81.07050	6.9
85.02905	3.9
91.03967	2.3
91.05479	5.1
93.07039	5.3
95.04970	1.5
95.08629	3.8
97.02898	3.9
105.07053	5.2
107.04971	1.4
107.08619	2.8
109.02897	1.2
109.10158	2.8
119.08625	2.4
121.10191	1.2
127.03901	1.4
133.10147	2.7
145.10196	1.7
147.11688	2.3
184.07355	2.5
228.91020	1.1
229.14433	2.5
243.08485	3.2
301.09094	1.9
314.27914	1.7
315.19498	3.9
371.21893	1.6
463.99545	1.4
467.37619	1.5
468.37988	2.3
533.27295	10.0
535.28601	6.3
594.94366	1.3
827.49103	100.0
828.49664	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	826.515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	2.8
59.45058	0.8
61.02924	9.1
66.77547	0.9
67.05502	55.9
69.03427	1.9
69.07059	5.2
70.54559	4.0
71.04977	3.7
71.08627	17.6
73.02892	3.4
79.05470	1.9
81.07050	13.3
83.08616	7.8
84.03609	0.9
85.02898	9.8
85.06514	1.9
85.10170	9.5
86.09721	1.4
89.06036	1.9
91.03962	8.3
91.05459	3.5
93.07037	2.9
93.61002	0.9
95.08601	14.5
97.02867	6.4
97.10149	2.6
107.08580	1.7
109.10150	65.9
111.08065	3.0
111.11666	1.2
119.08566	3.8
123.11719	2.1
127.03885	3.7
127.11202	1.0
132.71335	1.0
137.09586	2.0
140.57805	1.0
145.04947	2.2
155.10654	3.2
157.54285	1.0
160.81570	0.8
163.06044	4.9
173.04381	0.8
173.11743	17.7
184.07372	2.1
212.93011	0.8
229.14336	100.0
230.48451	0.9
239.23555	1.6
257.24738	1.6
313.27350	81.5
314.27695	1.1
370.90616	0.9
467.37311	68.4
536.42853	0.9
578.10327	1.0
606.27997	1.8
639.22913	1.1
684.77563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.0
62.06095	0.9
67.05509	10.4
69.03429	10.8
69.07046	2.7
70.02917	0.6
70.06593	5.1
71.01351	3.4
71.04980	2.3
71.07388	1.3
71.08626	11.5
72.08153	6.9
73.02917	6.6
75.04468	1.3
79.05494	5.2
81.03414	7.6
81.05781	0.6
81.07059	7.7
83.01357	1.7
83.04991	1.7
83.07333	0.6
83.08623	0.8
84.04503	1.4
84.08131	2.7
84.44520	0.6
85.02905	17.8
86.06066	47.3
86.09665	1.1
87.04451	0.9
89.03965	0.6
90.28233	0.6
91.03951	0.8
91.05485	13.1
93.07048	9.8
95.01334	3.4
95.04977	3.6
95.08606	14.8
96.08125	7.9
96.50924	0.6
97.02888	8.6
97.06517	1.6
98.06062	2.2
98.09693	15.7
98.92693	0.8
99.04465	3.7
99.08093	17.8
100.07604	1.1
101.02374	2.8
103.03938	1.6
105.07021	4.2
107.04942	1.3
107.08591	2.5
108.08125	2.1
109.02866	2.8
109.06516	1.8
109.10146	5.9
110.03546	1.1
111.04420	1.4
111.08080	0.8
113.02365	3.6
114.09155	1.9
116.10732	100.0
117.05534	1.3
117.07021	2.6
117.09120	0.7
117.11123	0.9
119.03480	0.6
119.08578	22.5
120.04426	1.1
120.08125	1.1
120.22210	0.7
121.06456	1.5
121.10135	2.3
122.09686	1.9
123.04441	0.7
123.08055	1.8
124.07610	2.2
126.09184	0.9
127.03918	5.6
129.07008	1.7
131.03383	2.3
131.04962	0.8
131.08583	1.9
133.10143	0.7
135.08118	0.8
135.11685	1.0
136.06184	60.6
137.04633	0.9
137.05972	1.9
137.09613	17.2
138.09140	1.2
140.10724	1.9
141.01830	7.8
142.08624	6.6
142.12296	1.0
143.10632	4.7
145.04951	1.9
145.10121	1.8
147.04350	1.0
147.08041	6.1
149.09639	1.1
150.07805	0.8
152.05670	21.9
152.10745	1.3
153.04070	2.5
154.16002	1.2
155.08632	0.7
155.10664	1.4
157.10118	1.3
159.10173	1.0
162.07635	2.6
163.11214	1.8
165.09113	5.5
170.33423	0.6
171.51251	0.6
173.11827	1.0
175.11299	1.1
177.05450	0.9
181.12265	0.8
183.10181	2.4
183.13766	1.0
193.12254	1.4
196.17012	2.0
201.11197	1.1
207.06586	0.9
209.11775	1.5
214.18030	24.8
227.12721	1.9
236.20103	1.3
238.18022	1.2
239.12825	2.5
243.12288	2.0
247.44246	0.7
251.43372	0.7
254.21156	5.8
256.19141	4.1
257.13907	3.0
261.13342	5.3
267.15875	2.0
280.19104	8.5
283.15454	1.6
298.20099	2.0
301.16556	0.9
306.84335	0.7
346.18555	1.1
349.23865	0.8
354.22684	4.5
362.18066	1.4
372.23807	7.3
376.23343	3.7
383.76263	0.7
390.24854	29.1
391.25198	0.9
402.34549	0.7
425.01248	0.7
475.26846	1.4
488.32141	9.2
502.30322	1.8
530.25769	1.7
548.27063	2.7
552.30414	1.1
566.28064	85.5
567.28174	2.7
628.33472	1.3
646.34320	10.4
650.37341	1.2
664.35345	36.8
665.35602	2.5
728.33258	16.7
729.32880	1.2
808.39581	2.1
826.40814	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	826.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18038	0.6
61.02914	2.7
62.06075	0.8
65.03917	1.1
67.05499	9.4
69.03424	12.2
69.07051	3.0
70.06594	5.7
71.01343	3.1
71.04981	2.7
71.07360	1.1
71.08627	13.4
71.58499	1.2
72.04524	0.9
72.08143	5.9
73.02912	8.5
75.04472	1.5
76.45655	0.6
79.05485	6.4
81.03418	6.3
81.05840	0.8
81.07044	7.2
83.01327	0.9
83.04962	1.9
83.07379	0.9
83.08619	1.5
84.04480	1.8
84.08131	2.2
85.02893	15.8
86.06062	51.3
86.09691	1.4
87.04435	1.8
88.86471	0.7
91.05472	14.8
92.05814	0.7
93.07039	10.2
95.01329	3.4
95.04949	2.8
95.07984	0.8
95.08598	17.1
96.08125	7.3
96.46499	0.7
97.02883	11.8
97.06512	2.0
98.03219	0.9
98.06040	3.4
98.09028	0.7
98.09686	17.1
99.04460	3.4
99.08087	20.0
100.07594	1.2
101.02385	3.0
101.05999	0.8
103.03947	1.2
103.05473	0.7
105.07027	4.1
107.04949	1.3
107.08575	2.6
108.08090	2.7
109.02853	2.0
109.06496	1.6
109.10156	6.4
110.09650	1.2
111.04389	0.8
111.08061	1.1
112.07587	1.9
113.02351	2.9
114.09133	1.5
115.03917	1.6
116.10723	100.0
117.03364	1.1
117.05465	1.1
117.07014	1.8
119.04975	1.1
119.08575	20.6
120.04467	3.5
120.08097	1.7
121.10146	2.3
122.09654	1.7
123.08072	1.6
124.07577	2.7
127.03893	6.6
128.06198	0.7
129.06989	1.8
130.08633	1.0
131.03365	2.4
131.08591	1.7
133.10085	1.3
134.09634	0.7
135.08064	1.1
135.11653	1.0
136.06174	30.1
137.04535	1.1
137.05969	3.5
137.09602	18.9
138.05508	2.6
140.10657	1.4
141.01819	6.7
142.08611	6.2
142.12263	2.2
143.08553	0.7
143.10660	4.0
145.02841	2.6
145.04938	2.0
145.10146	1.4
147.04404	1.6
147.08038	5.5
147.11655	1.6
149.09590	2.0
150.07758	0.9
152.05664	13.8
152.10703	0.8
153.04057	1.8
154.15865	1.1
155.10635	0.8
158.08162	0.9
159.02925	0.9
159.10126	0.9
162.07668	4.5
163.07558	1.0
165.09111	6.0
167.06990	0.9
175.03790	1.0
177.05481	3.4
181.12172	1.3
183.10182	2.7
183.13719	0.9
184.07437	0.8
184.88010	0.7
185.11789	0.9
191.10617	0.7
196.17035	1.0
201.11172	1.6
207.06474	1.4
208.13412	0.7
209.11717	1.7
214.18024	12.8
215.18245	0.7
225.05014	0.7
225.11368	0.7
227.12827	1.1
236.20070	1.3
238.18082	1.4
239.12759	1.8
243.12196	1.7
254.21136	8.1
256.19031	5.1
257.13882	3.0
261.13306	4.8
267.16013	1.8
274.18158	0.8
280.19040	9.4
283.15359	1.0
298.20166	2.5
298.52429	0.7
301.05798	0.6
301.16360	1.4
312.70377	0.6
320.82953	0.6
354.22830	3.2
362.18503	0.8
372.23776	7.1
376.23380	2.4
390.24850	33.6
391.25015	0.8
444.88766	0.7
454.40289	0.8
458.09354	0.8
470.31476	1.1
488.32162	10.8
530.25684	1.3
548.26855	3.0
552.30511	1.4
566.28027	90.6
567.28467	3.0
614.35046	1.2
628.33087	1.1
646.34039	8.2
650.37616	1.1
664.35321	39.1
665.36340	1.6
728.33337	17.9
808.39282	1.9
826.40942	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	826.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.9
67.05503	1.2
69.03417	1.3
70.06575	2.4
71.05000	0.7
71.57977	1.1
75.04490	1.2
78.04689	1.0
79.05484	4.9
81.03408	1.8
81.07038	1.1
82.04169	1.2
84.08136	0.7
85.02914	3.5
89.03926	0.7
91.05465	5.3
92.12669	0.6
93.03393	3.1
93.07024	2.7
95.04960	3.5
97.02872	1.6
97.06506	1.5
102.39629	0.8
102.44067	0.7
103.04796	1.1
103.05465	16.6
103.32420	0.7
105.07034	6.6
106.04180	6.3
107.04944	11.4
110.03656	0.7
115.05457	2.9
117.06998	3.1
118.04135	3.8
119.04946	1.5
121.06494	9.3
123.04430	2.1
124.05212	0.9
125.06002	3.3
128.06168	1.2
129.06995	2.1
130.04124	1.2
131.04924	19.1
131.08548	2.5
132.05728	1.3
133.02844	1.1
133.06497	6.3
134.03622	1.3
135.04433	2.3
135.08040	1.0
136.06126	0.9
137.05978	2.5
138.06712	0.7
139.07524	0.8
141.06996	2.5
142.02597	0.8
143.04933	0.9
144.05673	2.5
145.02811	1.3
145.06488	5.9
146.03497	0.9
147.04393	2.9
148.05179	9.5
149.05984	13.0
151.07520	1.5
152.04642	1.1
153.05415	1.9
153.09084	3.1
156.05724	2.7
157.06517	1.5
158.07259	1.1
159.08063	6.9
159.64900	0.7
160.05246	1.0
161.05981	11.6
163.03893	3.8
163.07532	17.6
167.07034	30.3
169.06471	1.7
170.07254	1.1
171.06490	1.5
172.05167	1.0
173.05975	7.9
174.06750	2.5
175.07568	1.7
176.04686	1.6
177.05475	13.4
179.07027	2.1
181.04953	30.9
181.08549	8.7
183.06462	1.2
186.06902	0.9
187.07498	6.5
189.05382	0.7
189.09108	3.0
190.06252	2.9
191.07022	100.0
192.07373	1.3
193.08609	11.3
195.06444	1.2
198.06699	1.1
201.05383	1.0
201.09113	2.1
202.06242	1.9
203.06900	1.3
203.10756	0.8
205.06688	0.6
205.08554	12.5
207.06522	2.2
209.08080	37.2
211.07573	1.3
215.07008	1.2
216.07776	1.8
217.08597	12.8
218.07298	1.0
219.08034	3.2
219.10178	4.7
220.08759	1.5
221.05904	1.1
221.09709	1.3
229.08586	2.1
231.08046	1.6
231.10181	1.8
233.07843	1.1
233.09761	1.1
233.11681	1.7
235.07520	1.4
235.09647	2.3
236.08377	1.0
247.07437	4.7
247.09680	11.6
248.08305	3.2
249.05518	0.8
249.09021	1.5
249.11250	12.0
249.37943	0.8
251.10722	1.3
259.07486	0.9
260.08289	1.1
261.09113	2.6
262.06247	0.9
262.09854	1.7
263.07001	2.0
263.10620	3.0
264.07803	2.7
265.08282	1.4
265.10870	4.8
266.05942	0.7
269.08133	1.9
271.09576	1.4
273.09015	0.7
275.07068	2.0
276.07721	1.9
277.08606	2.0
279.06967	0.8
279.10101	4.1
280.10989	0.8
281.07962	0.9
282.09039	1.0
290.09341	2.8
291.09979	4.9
292.07266	2.1
293.08105	3.2
295.09552	3.3
296.10370	1.4
299.09097	1.5
299.12527	0.7
305.08228	1.7
307.09641	6.9
308.10355	2.6
309.07779	1.1
309.11224	1.6
310.08292	1.2
311.12717	2.1
315.08533	9.7
316.22574	0.7
319.09793	3.2
320.16473	0.9
321.07727	1.3
321.11234	0.9
322.08405	1.0
322.11969	0.8
323.09323	1.1
323.12531	3.7
325.10843	1.5
327.12228	1.0
330.10962	15.2
331.11591	2.0
336.09949	1.7
337.10715	2.6
338.11404	0.8
339.12314	5.9
341.13950	1.6
343.11688	3.5
350.11368	0.8
351.12283	9.5
352.12955	1.6
353.10181	3.1
353.14047	1.0
355.11752	2.5
356.12747	1.0
357.13339	1.0
359.14917	5.6
368.12518	4.9
369.13293	10.3
371.14893	7.9
373.12442	0.9
383.14868	53.0
384.15161	1.3
385.16394	1.0
387.14258	10.1
389.15387	0.9
401.15958	31.8
401.71979	0.8
402.16138	0.9
419.17023	21.7
419.22797	1.4
427.17532	17.3
439.17319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52795	0.6
61.02914	1.2
65.59356	0.7
67.05510	2.2
69.03429	1.8
69.27549	6.5
70.06598	1.0
73.02905	1.0
79.05509	1.5
81.03406	1.3
81.07052	1.6
83.04990	1.0
85.02913	2.3
91.05481	3.2
93.07034	3.1
95.04951	0.9
95.08631	1.0
96.04475	0.8
96.21857	0.6
97.02890	1.6
105.07046	2.1
107.08637	1.0
109.10178	1.9
111.04472	1.0
115.03905	0.8
117.07021	1.1
118.06524	4.3
119.04935	0.6
119.08537	1.5
121.10151	2.4
126.05551	1.0
127.03894	0.8
129.30635	0.7
133.10165	0.8
136.06209	2.5
138.05446	1.4
144.08156	1.0
145.10181	0.7
146.06003	4.5
149.09634	1.2
156.93802	0.6
159.76836	0.7
162.07703	1.5
169.51563	0.7
173.11676	0.9
184.07359	1.6
185.04260	1.3
188.07124	2.3
202.16069	0.7
203.05328	1.0
214.83170	0.6
230.15356	4.1
234.93355	0.7
243.08492	2.0
313.16489	1.0
347.09552	3.0
365.10587	2.1
375.70087	0.6
405.13733	3.1
427.24765	0.7
445.25714	3.5
476.30319	4.5
491.22601	1.0
501.21967	0.8
501.28088	3.8
635.33752	1.3
638.35132	1.3
663.33630	15.7
825.38684	100.0
826.39508	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	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40562	7.9
67.05506	75.3
68.09711	7.9
69.07060	27.3
69.28641	63.4
69.29063	34.7
72.09831	8.4
74.37736	10.8
79.05499	50.6
81.07053	57.3
83.08609	13.4
86.09698	15.7
91.05476	51.8
93.07035	61.4
95.08585	51.5
98.21474	17.3
105.07011	52.4
107.08575	34.0
109.06495	9.5
109.10169	20.8
117.07003	24.9
119.08564	49.4
121.10151	19.8
128.06198	12.1
129.06953	15.3
131.08571	33.4
133.10088	27.2
135.11714	17.8
135.98466	9.5
137.13307	9.1
143.08531	28.3
145.10098	31.3
147.11650	14.2
155.08530	14.6
157.10114	21.5
159.11684	27.8
169.10117	27.6
171.11690	18.2
173.13234	10.2
184.07358	11.1
191.14398	11.4
197.13295	12.3
209.13393	15.3
347.93613	10.2
370.98062	9.9
427.29956	9.8
498.88623	9.5
609.45099	100.0
648.71191	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	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.9
65.03941	4.3
67.05505	82.7
69.03439	10.2
69.06722	2.6
69.07070	35.8
69.44278	12.5
71.04992	5.8
73.02922	2.1
79.05492	70.8
81.03416	9.6
81.07058	100.0
83.04971	12.3
83.08614	12.4
85.02892	4.6
85.06517	2.1
91.04900	2.1
91.05480	53.0
93.07045	79.7
95.04962	16.3
95.08606	58.0
97.02912	4.2
97.06532	10.9
97.10165	4.0
99.08113	4.0
105.04505	2.0
105.07030	34.8
107.04954	5.3
107.08590	43.4
109.02895	2.5
109.06522	8.2
109.09481	1.4
109.10163	19.6
111.08092	3.9
115.05502	1.6
117.07034	16.2
119.08585	27.0
121.06495	4.9
121.10141	28.4
123.08048	4.6
123.11681	5.6
124.79153	1.3
125.09643	4.5
127.03935	2.9
128.06248	1.9
129.05428	3.2
129.07019	5.8
131.08566	22.3
133.10143	22.1
134.10402	1.4
134.45651	1.4
135.08066	3.0
135.11678	18.5
137.09625	4.9
137.11249	1.6
143.08569	5.2
145.06526	1.5
145.10112	17.5
147.07962	1.6
147.11679	15.5
149.09599	8.3
149.13263	14.5
151.11113	1.7
155.08548	3.0
157.10123	3.3
159.11679	14.7
161.09653	1.3
161.13251	8.2
163.11131	6.6
163.14854	2.6
169.10089	2.4
171.11757	4.2
173.04465	2.8
173.13229	9.5
175.11159	1.9
175.14848	2.4
177.12729	3.9
181.12262	1.7
183.11668	1.6
185.13284	2.9
187.11241	1.7
187.14828	3.8
189.11252	2.2
195.13756	5.1
197.13228	1.7
211.14824	1.5
227.12859	4.1
229.14314	1.5
229.19542	1.5
239.18011	4.5
243.21115	2.5
247.20592	1.6
255.15848	8.5
257.19009	5.6
259.20581	1.8
261.22058	9.9
267.15894	2.1
269.17456	20.4
275.20041	23.2
293.21011	1.7
317.24765	2.5
335.25800	90.8
336.26184	3.6
349.23712	17.9
367.24823	6.7
413.21289	1.9
489.35626	1.5
500.50479	1.5
515.37335	16.8
529.38885	65.7
530.39063	3.5
541.41998	1.4
569.41901	2.3
609.45209	20.0
627.45947	6.0
673.42523	1.8
848.50513	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	100.0
68.38747	5.7
69.03427	6.5
69.07063	23.3
69.38292	12.1
69.38695	49.3
71.04999	6.6
76.27718	5.4
77.33788	6.1
79.05492	91.6
81.03420	7.9
81.07052	76.5
83.04980	10.0
83.08620	34.6
85.02905	7.1
91.05484	57.3
93.07045	64.9
95.04940	14.6
95.08606	59.1
97.10178	49.6
105.07041	49.6
107.08588	84.3
109.02959	7.1
109.06552	12.4
109.10149	23.5
111.08105	6.8
117.07016	14.6
119.08581	36.1
121.10153	25.6
123.11726	7.6
125.09635	51.1
127.03900	10.1
129.07019	8.7
131.08571	25.3
133.10129	36.2
135.08063	7.8
135.11691	17.1
145.10143	21.9
147.11685	13.8
149.09605	10.1
149.13304	10.2
159.11699	20.2
161.13322	10.1
184.07330	15.3
189.11246	29.0
199.14861	6.3
227.12775	58.4
261.22269	21.3
267.25812	6.9
275.20114	52.4
297.22275	7.0
335.25827	95.8
349.23669	53.0
369.59601	7.1
389.17990	6.7
464.41498	6.5
495.17047	7.2
505.35184	29.0
522.76459	6.6
609.45074	87.4
627.45807	11.3
820.57202	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	824.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45719	2.6
63.73291	2.5
65.03936	4.8
66.99237	2.9
67.05500	93.9
69.03423	7.2
69.07069	35.2
71.04992	5.2
71.29554	6.0
71.29909	4.6
79.05489	84.4
81.03421	5.8
81.07058	86.2
83.04984	10.3
83.08604	24.7
85.02914	5.8
85.06529	5.0
91.05476	51.6
93.07043	73.3
95.04964	14.1
95.08053	4.5
95.08611	51.9
97.02875	3.8
97.06509	14.2
97.10152	30.6
99.04419	3.7
104.48782	3.2
105.07022	49.4
107.04945	5.3
107.08589	65.9
109.06541	4.5
109.10126	26.8
111.08059	4.5
115.46917	3.2
117.07032	20.6
119.08580	31.8
121.06419	3.1
121.10144	26.8
123.11691	7.8
125.09627	25.1
129.07028	4.4
131.08592	24.1
133.10126	25.1
135.08087	4.5
135.11700	16.8
145.10133	25.0
147.11693	15.8
149.09630	14.2
149.13274	9.5
155.08592	5.7
157.10106	5.8
159.11684	17.1
161.13239	11.0
163.11139	3.6
163.14793	3.2
169.10150	4.8
173.13275	10.0
187.14845	4.1
189.11227	15.1
227.12775	30.1
229.14278	3.7
243.21130	5.8
255.15826	3.6
257.18939	7.6
261.22168	14.3
269.17526	7.5
275.20062	47.7
317.24799	3.5
331.22714	4.8
335.25775	100.0
335.29852	5.0
349.23676	44.9
432.36996	3.0
475.78912	3.1
490.90964	2.9
505.35223	13.2
515.36438	3.2
529.38861	5.4
609.45105	68.7
610.45306	3.8
627.45837	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	824.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	4.0
67.05490	1.7
69.03413	2.9
69.85155	0.7
70.06606	0.9
71.04932	0.8
73.02898	1.7
75.04462	2.5
78.04710	1.7
79.05485	4.7
81.03400	1.7
81.07045	1.5
82.04176	0.8
84.04498	2.1
84.08133	0.9
85.02899	4.8
86.09698	0.9
89.06052	1.0
90.96064	0.6
91.05476	9.5
93.03412	6.9
93.07043	5.5
95.04959	4.5
95.08610	0.8
97.02884	1.7
97.06522	1.4
103.05450	13.7
105.03392	1.6
105.07042	4.4
106.04163	13.6
107.04956	7.1
107.08620	1.1
109.02827	0.9
109.06500	1.2
109.78208	0.8
110.03629	1.7
111.04453	1.0
115.05437	3.1
117.07006	3.1
118.04170	2.9
119.04923	2.3
119.08549	2.2
121.06503	16.3
121.10125	2.9
123.04410	3.4
124.05202	1.8
125.06006	6.0
126.05494	2.6
129.07001	1.0
130.04108	1.0
131.04929	14.0
133.02861	1.5
133.06476	5.6
134.03653	2.7
135.04356	0.9
135.08049	2.7
137.05981	5.0
138.05428	1.3
139.07547	1.6
144.05641	1.3
145.02818	1.9
145.05043	0.8
145.06468	4.3
147.04393	2.3
147.08040	2.6
148.05199	7.4
149.05981	33.1
149.09634	1.1
151.03914	1.6
151.07550	1.9
153.05434	2.6
153.09102	9.0
157.06450	0.8
159.08055	1.3
160.05074	0.7
161.06010	6.2
162.07613	1.2
163.03944	1.3
163.07536	12.8
165.05531	1.0
165.09132	0.7
166.06201	0.9
167.07039	38.0
167.10727	1.0
171.06522	3.2
173.05977	5.5
175.07526	2.3
176.04642	1.9
177.05470	19.8
179.06963	1.0
181.04956	49.9
181.08548	15.9
187.07555	2.3
189.09114	1.5
190.06264	1.1
191.07028	61.4
192.07628	1.2
193.04950	1.0
193.08612	3.7
195.06499	3.8
199.07550	0.7
201.33295	0.9
203.04967	0.6
203.07050	2.1
204.08675	2.4
205.08598	2.9
207.06551	2.0
207.10197	1.4
209.08087	100.0
210.08311	1.1
213.05663	0.7
217.08525	2.1
219.10155	4.4
222.09929	0.8
225.07516	1.3
231.06587	0.8
233.08104	2.5
235.07535	1.4
235.09532	3.8
236.08336	0.8
245.08151	1.6
247.07570	0.9
263.06580	1.0
263.09171	13.5
264.08020	0.9
267.10181	2.2
279.10159	1.1
293.08255	0.8
297.11230	1.1
307.09616	1.2
311.14883	0.9
325.10669	1.8
335.09143	0.7
339.11844	0.7
357.13528	3.8
359.14938	1.4
367.11752	1.5
369.13223	1.3
385.12885	6.1
399.14465	3.3
417.15503	16.2
548.32428	0.8
609.23090	0.7
616.71155	0.7
662.34668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	4.4
67.05486	1.9
69.03410	2.3
69.07050	0.7
70.06571	1.7
71.04993	0.8
71.58243	0.9
72.08148	0.6
73.02917	0.7
75.04468	2.2
78.04704	2.5
79.05489	5.6
80.38776	0.6
81.03407	2.6
81.07035	1.5
82.04169	0.9
83.04997	0.6
84.04493	1.1
84.08142	0.8
85.02900	6.8
89.03907	1.1
89.06052	0.7
91.05482	10.7
93.03405	7.5
93.07028	5.4
95.04957	6.0
97.02872	2.1
97.06526	2.7
99.04395	0.6
103.05466	13.4
105.03399	2.1
105.06371	0.9
105.07021	6.7
106.04161	13.4
107.04953	8.1
108.02036	0.7
109.06506	1.1
109.10168	0.7
110.03647	1.6
111.04455	1.5
115.05447	4.4
117.03337	0.9
117.07013	3.8
118.04163	3.3
119.04931	2.2
119.08542	1.8
119.64262	0.6
121.06503	16.0
121.10126	2.4
122.03658	0.9
122.07259	0.7
123.04440	3.2
123.08095	0.9
124.03934	0.8
124.05198	2.7
125.05976	7.2
126.05479	1.4
127.03857	0.9
128.06165	1.1
129.06949	0.8
130.04109	0.8
131.04919	12.4
131.08578	1.3
132.05684	1.2
133.02849	1.3
133.06474	6.1
133.10106	0.8
134.03583	2.8
135.04391	1.3
135.08003	0.9
136.06163	5.2
137.05977	5.4
138.05437	0.9
139.07526	1.3
142.02611	0.6
143.04828	0.7
144.05699	1.2
145.02821	1.7
145.06488	5.4
146.03549	1.1
147.04390	2.1
147.08038	2.0
148.05180	7.8
149.05983	25.0
149.09634	0.9
151.03891	2.5
151.07541	2.6
152.04626	1.1
152.05724	1.1
152.08380	0.7
153.05469	3.3
153.09084	6.3
157.06522	1.2
159.08035	1.3
160.05121	1.2
161.05962	6.8
162.07657	1.4
163.03853	1.4
163.07527	14.4
165.05505	1.1
166.06273	0.8
167.07033	36.0
171.06535	3.3
173.05995	5.3
175.03889	0.8
175.07567	2.0
176.04660	1.6
177.05460	16.2
177.08987	0.9
179.03275	0.7
179.07024	1.2
181.04958	50.2
181.08543	16.4
181.10161	0.9
187.07530	2.2
189.05429	0.7
189.08923	0.8
190.06181	1.3
191.07025	47.4
192.07477	0.9
193.04947	1.4
193.08609	2.1
195.06560	3.2
195.07994	0.7
201.05487	2.0
203.07002	2.3
204.08727	1.1
205.08589	3.1
207.06439	1.8
207.10109	1.5
209.08080	100.0
210.08507	0.9
217.08546	1.9
219.08289	0.8
219.10127	3.3
221.07965	0.7
225.07503	0.9
231.06416	1.4
233.08032	4.8
235.07451	1.1
235.09657	4.2
237.05388	0.7
245.08076	1.5
247.07574	0.8
251.06854	0.9
253.08794	0.7
253.82339	0.6
259.41370	0.6
262.05969	0.5
263.06592	1.3
263.09164	18.3
267.10187	1.3
279.10092	0.7
295.09503	0.8
297.11221	1.4
304.24753	0.6
309.07748	0.8
325.10748	1.8
327.12390	0.7
339.12408	1.2
357.13370	4.0
359.15131	1.1
367.11768	1.4
369.13361	1.1
385.12747	7.8
387.14621	0.8
399.14264	3.3
417.15427	17.0
524.53986	0.6
662.33893	1.3
713.99640	0.8
714.12207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	5.7
61.91271	5.7
67.05501	50.8
69.07074	35.3
70.70345	4.5
77.09732	5.0
79.05495	45.9
81.03413	5.6
81.07053	59.9
83.08617	7.0
91.05481	61.8
93.07030	55.5
93.16763	5.5
95.01333	10.0
95.04957	12.2
95.08604	35.8
97.06530	18.3
105.07032	100.0
107.04945	15.5
107.08562	29.5
109.10159	12.0
117.06996	20.4
119.08604	51.4
121.10139	18.7
129.07002	6.9
131.08578	28.5
133.10107	51.5
135.11671	13.1
136.06168	8.5
143.08554	9.1
145.10139	25.0
147.11685	16.3
159.11708	19.8
161.13240	18.7
171.11612	6.9
173.13210	7.0
175.14830	10.9
178.81299	5.2
179.14336	5.3
185.13371	7.4
229.58069	7.5
229.60199	5.8
241.19539	10.9
257.18933	5.7
259.20596	17.5
275.20081	58.4
315.23389	10.7
333.24219	51.6
349.23587	40.1
607.43622	76.0
625.44122	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	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	8.4
57.07077	2.3
65.03943	2.1
67.05505	49.7
69.03431	7.7
69.07068	27.7
69.24035	3.1
69.24448	12.1
71.04987	2.5
71.08614	1.2
72.15863	1.4
75.87494	1.5
79.05495	42.2
81.03411	3.8
81.07059	45.1
83.04974	3.6
83.08629	12.1
91.05488	24.7
93.07043	38.9
95.01313	1.8
95.04980	9.1
95.08602	32.1
97.02886	8.2
97.06542	4.0
97.10158	12.4
105.07016	18.6
107.04961	4.9
107.08599	22.7
109.06523	2.7
109.10159	17.4
111.08086	2.5
117.07014	7.1
119.04977	1.9
119.08582	14.3
121.06488	3.3
121.10136	14.3
123.08072	2.6
123.11692	4.3
125.09648	8.4
129.06981	2.9
131.08572	9.7
133.06483	2.5
133.10136	8.5
135.08063	2.9
135.11664	7.1
137.09648	2.1
143.08566	2.8
145.10103	8.4
147.08061	4.8
147.11699	5.9
149.09581	1.3
149.13278	4.7
157.10106	2.8
159.11697	3.9
161.09624	1.3
161.13284	2.6
163.11205	3.0
163.14740	1.4
165.09093	1.6
171.11635	1.7
173.13264	2.8
175.11191	1.6
184.07323	1.4
185.13300	1.5
187.14873	1.5
189.11259	3.9
193.12378	1.3
205.12312	2.6
223.13290	16.4
227.12729	3.8
243.21169	2.1
249.14873	2.4
255.17525	1.5
261.22238	6.7
273.18430	15.2
278.58688	1.5
291.19531	100.0
317.24860	2.5
335.25803	87.9
336.26105	2.7
365.23236	45.8
545.38556	3.6
567.38336	1.3
607.43176	2.6
625.44629	85.8
626.44867	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	8.2
65.29227	4.1
67.05502	41.9
69.07063	27.5
71.32141	9.7
79.05489	40.5
81.03424	8.3
81.07057	51.9
83.08623	8.9
86.09686	9.3
91.05492	25.4
93.07044	39.8
95.04970	15.4
95.08625	33.9
97.02880	4.6
97.06503	7.0
97.10187	6.1
97.71416	4.3
105.07024	16.5
107.08593	27.7
109.06527	5.9
109.10152	14.7
117.07012	10.2
119.08587	13.1
121.10117	16.1
123.08057	5.5
125.00001	4.2
125.09610	11.7
129.07004	4.5
131.08588	10.6
132.18143	4.5
133.06377	6.0
133.10124	6.2
135.11598	5.1
145.10072	8.2
147.08026	6.1
147.11700	5.7
184.07333	15.7
189.11235	4.9
196.69151	4.9
223.13382	16.7
261.22198	12.2
273.18481	15.4
291.19528	100.0
315.81223	5.2
335.25748	84.9
359.56439	4.7
365.23178	39.4
607.43231	7.1
625.44623	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	822.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	17.0
61.02916	5.9
65.03926	5.8
67.05499	62.7
67.06046	2.6
69.03421	15.9
69.07057	29.1
70.06583	3.0
71.04980	14.4
71.58638	3.3
73.02901	4.4
79.05487	63.2
81.03414	100.0
81.07048	90.5
81.07524	5.3
83.04979	23.1
83.08612	30.2
84.04510	12.5
84.08134	2.7
85.02908	13.2
85.06541	5.7
86.20808	2.4
91.05476	57.7
91.06017	4.5
93.07039	57.8
95.04971	44.9
95.08602	32.2
96.04464	3.1
97.02861	9.2
97.06517	26.9
97.10149	23.4
99.04448	4.7
99.08083	6.6
103.05447	3.3
105.07026	46.3
107.04959	15.3
107.08587	34.4
109.02845	3.5
109.06506	17.5
109.10148	15.1
111.04437	16.1
111.08083	10.4
115.05458	4.5
115.07556	4.2
117.07013	23.5
119.08578	41.5
120.04450	9.8
121.06483	13.7
121.10134	31.6
123.04403	3.8
123.08075	23.5
123.11749	3.7
125.09623	17.4
126.05548	13.2
127.03955	3.2
128.06201	3.6
129.05481	4.7
129.06981	21.5
129.10220	3.2
131.08560	32.5
133.06465	11.3
133.10133	18.7
135.08032	12.4
135.11691	13.8
135.26295	2.6
137.09668	5.4
138.05507	8.2
141.07014	3.2
142.07719	6.0
143.08569	7.8
145.06473	7.6
145.10115	20.3
147.08047	13.6
147.11684	15.0
149.09604	17.9
149.13269	4.7
151.11209	3.8
153.09122	5.2
153.12779	3.9
155.08513	6.1
157.10118	17.9
159.08095	8.1
159.11722	6.3
161.09645	11.4
162.07553	3.8
163.11105	12.8
165.09111	3.6
169.10109	6.3
171.07928	3.1
171.11659	7.2
173.09615	6.0
173.11765	3.3
175.07680	2.7
175.11151	14.0
177.12778	3.8
181.12257	4.9
184.07327	6.1
185.13234	3.0
187.11179	2.6
189.11201	15.0
191.10730	4.2
193.12230	34.2
195.11694	3.5
195.13626	2.9
204.08679	11.3
205.09129	3.6
208.41951	2.6
213.12886	3.4
217.15909	3.7
219.13835	8.8
223.13081	4.9
227.12762	21.8
245.19122	5.4
249.14867	3.9
263.20099	3.3
267.15906	98.1
269.17462	10.9
273.18436	29.3
291.19498	53.1
302.84894	2.9
309.20483	6.5
347.22156	10.9
365.23245	22.8
383.24289	16.8
433.25565	2.8
445.29529	9.9
447.27948	8.6
449.29269	3.2
450.78735	2.8
459.27689	3.5
461.28827	10.6
463.30557	29.0
465.30042	6.4
483.30902	6.9
493.31473	4.3
501.31903	3.0
529.35004	3.5
539.33783	23.9
557.34711	88.6
563.35248	3.2
575.35773	46.9
607.34198	4.1
804.00482	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	821.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	18.4
59.04990	1.2
61.02926	68.7
65.03922	1.2
67.05506	29.3
69.03430	28.7
69.07071	8.2
71.01355	3.5
71.04990	4.4
73.02917	22.0
75.71182	1.0
77.98902	1.2
79.05496	18.5
81.03419	21.2
81.07058	30.7
83.01328	1.3
83.04984	3.8
83.08630	3.9
85.02905	100.0
85.06518	1.1
87.04465	2.0
87.93706	1.0
91.03954	54.6
91.05479	14.8
93.07044	24.3
95.04958	5.2
95.08608	24.1
97.02895	67.7
97.06496	1.8
97.10175	1.7
98.21667	1.5
99.04459	12.0
101.02389	3.9
103.03935	9.0
103.11151	1.0
105.07040	11.9
107.04937	1.3
107.08599	12.4
109.02867	12.3
109.06531	2.7
109.10163	10.8
111.04456	2.2
111.08103	1.5
115.03931	6.5
115.05481	1.1
117.05493	2.9
117.07019	4.2
119.07791	1.5
119.08568	9.9
119.39124	1.0
121.10142	12.9
123.04419	1.3
123.08060	2.1
123.11710	5.0
125.09595	1.3
127.02973	1.9
127.03915	37.5
129.05547	5.3
129.07030	1.4
131.08578	6.9
133.10115	7.6
133.57677	1.1
135.11656	7.9
137.05954	1.7
137.23404	0.9
139.11197	1.2
143.08542	2.4
145.04959	27.3
145.10085	6.8
146.08162	1.3
147.07939	1.2
147.11696	6.2
149.13252	7.2
149.16321	1.1
155.08603	1.2
157.10146	3.0
159.06503	1.9
159.11719	6.1
161.09628	1.1
161.13246	4.4
163.06023	17.6
163.14853	2.7
165.05486	1.2
169.10156	1.9
171.06598	2.2
171.08080	1.4
171.11676	1.6
173.13298	6.0
175.11180	1.4
175.14819	2.7
179.08604	1.2
183.06581	7.5
185.13298	1.6
187.14798	2.5
197.13170	1.3
201.07675	6.4
201.12744	1.3
209.13408	1.1
243.21008	5.4
259.20657	3.9
261.22195	15.9
277.21750	1.8
285.22095	1.5
301.21719	1.4
303.23132	3.4
315.23099	2.6
317.24780	1.9
327.23190	1.3
333.24393	1.3
335.25806	55.8
341.24939	1.3
345.24268	3.1
351.23233	2.7
353.26865	2.1
363.25330	4.0
369.24252	3.8
377.26892	3.0
387.25278	1.4
403.79068	1.1
405.26517	1.2
419.27902	1.9
431.28027	1.5
443.27759	6.0
443.47482	1.3
461.28925	2.9
479.30151	9.3
497.30728	2.2
675.60565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.0
57.03677	0.4
59.81695	0.4
65.03935	1.1
68.99801	0.5
69.03410	1.5
69.77256	2.4
70.06569	0.5
71.04994	5.4
73.02890	0.4
74.81592	0.3
77.02225	0.3
81.03417	3.3
85.02906	5.1
89.03902	0.6
91.05481	13.6
95.04940	0.4
98.21452	0.4
99.04404	0.5
103.05418	0.4
109.02856	1.5
119.04942	23.0
120.05227	0.3
121.02875	0.7
127.03918	1.9
129.03288	0.4
129.05460	0.6
132.02061	0.7
135.04390	0.4
137.02342	4.5
138.05463	0.4
145.02811	0.7
147.04408	22.2
149.02330	1.3
153.01817	1.7
157.03989	1.6
163.03929	0.7
164.04721	0.9
165.01822	0.8
175.03909	40.5
176.04234	0.7
177.05489	1.0
179.07053	2.2
201.05461	0.7
207.06528	100.0
208.06853	1.6
219.06532	0.9
225.07516	0.6
229.04897	1.5
247.05933	0.4
257.04486	1.4
285.04044	0.4
287.05515	0.8
303.04996	50.7
304.05411	1.5
315.05164	1.1
327.04547	0.4
328.88962	0.4
345.06155	1.5
351.10782	6.2
369.07031	0.7
369.11816	6.3
395.07617	0.4
413.08795	0.5
449.10703	0.8
487.74243	0.4
609.61456	0.4
736.70917	0.6
795.58789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2178
Annotation	Kaempferol 3-(6''-sinapylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
57.03434	0.3
61.02924	0.5
63.02355	0.2
65.03931	1.6
67.01847	0.3
67.05502	0.3
68.99787	0.8
69.03425	2.5
69.22961	0.2
70.06580	0.8
71.04975	0.2
72.08141	0.2
73.02915	0.5
76.03146	0.2
77.03912	0.5
79.05477	0.4
81.02982	0.3
81.03416	4.4
81.04488	0.3
81.07024	0.2
84.04517	0.3
84.08132	0.5
85.02898	3.1
86.09699	0.2
89.03896	0.7
91.05475	17.1
93.07026	0.5
95.04949	0.6
97.02885	1.5
97.03963	0.2
99.04453	0.5
103.05455	0.6
105.03384	0.8
107.04955	0.4
109.02876	1.8
110.07137	0.2
111.00794	0.4
111.04435	0.2
115.05453	0.3
117.03376	0.2
118.04214	0.3
119.04935	23.5
119.08535	0.3
120.05258	0.3
121.02853	6.6
121.06522	0.2
123.08056	0.2
125.07156	0.2
127.03925	2.3
129.03331	0.5
131.04924	0.5
132.02011	0.9
133.02831	0.9
135.04398	0.6
136.05168	0.3
137.02284	1.3
137.05948	0.6
145.02859	1.0
145.06480	0.3
147.04399	24.6
148.04741	0.3
149.02362	0.8
151.03789	0.2
153.01822	2.4
157.03928	2.0
157.06468	0.4
162.03091	0.4
163.03885	0.2
164.04674	0.7
165.01810	1.2
167.07048	0.4
171.02872	0.6
173.06003	0.3
175.03894	40.9
176.04318	0.6
177.05463	1.0
179.07002	2.2
181.04941	0.3
183.02876	0.6
185.05960	0.4
189.05386	0.3
191.07019	0.2
192.04192	0.7
197.05959	0.3
198.52020	0.2
201.05482	0.2
207.06508	100.0
208.06833	1.3
213.05530	1.1
219.06393	0.2
225.07570	0.6
231.06555	0.7
241.04933	1.2
245.04395	0.6
258.05188	0.7
259.05896	0.3
272.20010	0.5
287.05475	70.3
288.05853	1.3
290.21194	0.3
299.05420	0.3
299.29276	0.2
303.05148	0.4
315.04889	0.3
318.44537	0.2
327.80737	0.2
329.06522	0.4
351.10699	6.5
364.24652	0.5
369.11761	6.0
375.09564	0.2
438.97867	0.3
449.10605	0.9
493.28918	0.3
554.59827	0.2
655.33759	0.6
772.83234	0.2
817.41016	0.9
845.68494	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	815.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.7
63.08616	0.4
65.03928	0.9
66.04710	0.6
66.49689	0.5
67.05498	2.7
69.03429	5.2
69.07066	0.6
70.06606	2.6
71.04990	3.0
72.04498	0.6
72.08155	0.6
73.02898	0.8
75.04473	2.0
77.03934	0.7
79.05494	12.3
81.03418	6.9
81.07053	4.4
83.04984	2.7
84.04515	0.7
84.08146	1.0
85.02896	6.9
86.09679	0.8
87.04456	0.9
91.05480	16.0
91.56802	0.4
93.07041	38.6
94.04176	4.2
94.07373	0.7
95.04968	5.6
95.06110	0.4
95.08611	3.0
97.02892	5.0
97.06509	0.6
98.20702	1.0
99.04443	1.6
103.05468	2.9
104.06258	0.8
104.10922	0.4
105.04578	0.6
105.07030	11.5
107.04966	1.5
107.08592	6.2
109.02870	3.2
109.06494	3.4
109.10144	1.5
111.04436	1.9
111.08078	1.9
115.03873	0.6
115.05459	3.7
116.06269	0.8
117.03337	0.5
117.07030	2.8
119.04942	1.8
119.08575	10.5
120.08064	0.7
121.06525	2.1
121.10142	42.5
122.03638	7.3
122.10425	0.7
123.08077	1.7
123.11704	1.4
127.03908	2.3
128.06223	2.8
129.05476	1.4
129.07007	3.0
131.04951	2.1
131.08574	3.6
132.05687	2.4
133.06500	5.4
133.07503	0.8
133.10127	1.5
135.08072	0.8
135.11674	0.5
136.06168	1.2
136.07588	0.5
137.05974	100.0
138.06337	1.9
139.11182	1.1
141.06969	0.9
143.05005	0.5
143.08607	0.6
144.05666	0.5
145.02832	1.0
145.04938	0.9
145.06477	1.8
145.10098	1.3
146.03622	1.2
147.04399	3.2
147.08022	4.4
147.11647	0.5
149.05969	1.9
149.09619	13.4
151.03929	0.8
151.07533	1.5
155.04897	0.9
156.05655	0.8
157.06467	0.8
157.09995	0.5
159.08040	4.3
159.11697	0.7
160.05174	1.1
161.05975	13.6
161.09583	0.6
162.07643	2.6
163.03835	0.6
163.07596	3.1
163.11159	1.0
165.06982	0.7
165.09148	0.5
167.07030	1.6
167.08395	0.5
167.10712	4.5
169.10147	0.4
171.08049	1.5
172.05191	1.5
173.09525	0.9
175.07542	26.3
176.07942	0.5
177.05453	2.2
177.09142	1.1
178.07816	0.5
179.04805	0.7
179.07056	1.1
184.05217	1.6
185.05917	0.5
187.07535	10.3
187.11128	0.6
189.07028	1.3
189.09090	1.1
190.07756	2.4
191.06931	0.7
191.08560	7.9
195.08104	0.7
199.07533	9.2
201.05588	0.7
201.07376	0.6
201.09108	1.2
202.07735	2.8
203.06912	0.8
203.08571	5.4
203.10506	0.8
205.06541	0.8
205.08409	0.5
207.06448	0.7
207.08156	0.8
208.08871	1.1
213.09134	0.8
217.08585	1.7
218.07303	1.9
219.05959	0.6
219.08073	12.0
219.10135	1.0
220.08818	2.2
221.09604	0.5
226.10072	0.5
229.12198	0.6
229.14384	0.6
231.08037	5.9
232.08791	1.9
233.09740	1.0
235.07574	1.1
235.11206	0.7
236.08302	1.9
237.09084	1.1
243.13858	0.6
245.15570	0.5
246.06586	0.6
247.07494	5.2
248.08299	4.3
249.09096	1.3
251.10666	14.6
253.08553	0.8
258.06802	0.5
259.07520	3.8
260.08340	2.2
261.09024	1.3
263.07028	0.5
263.10696	3.1
264.07828	1.2
265.08655	1.9
273.14832	0.5
275.10654	0.5
276.07681	2.1
277.08591	2.0
278.09546	0.7
279.10141	9.8
280.10788	1.1
281.08188	0.5
281.11771	0.5
285.14914	0.5
289.08508	1.4
291.10141	9.4
292.07864	0.6
292.10852	2.3
293.08289	0.8
293.13931	2.7
295.09866	0.5
295.13052	1.0
296.10461	1.4
297.11392	0.7
303.10172	0.6
308.10196	1.0
309.11304	1.2
311.12704	26.9
312.13153	0.7
321.11157	3.3
322.12009	0.9
323.12787	16.1
325.14267	0.7
333.11011	0.7
335.12851	2.5
341.13785	1.6
347.12704	0.8
459.21484	1.0
484.95386	0.5
508.20612	1.6
549.40784	0.5
653.32758	0.8
815.35474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	0.1
57.03436	0.2
61.02904	0.2
65.03951	0.1
66.04707	0.2
67.05502	0.4
69.03414	0.4
69.07061	0.2
69.52557	0.1
70.06594	0.8
71.58469	0.2
72.08151	0.2
73.02909	0.1
78.04710	1.4
79.05485	1.2
81.03407	0.8
81.07056	0.2
83.04967	0.2
83.90857	0.1
84.04484	0.3
84.08142	0.4
85.02908	0.8
86.09702	0.3
91.05478	0.9
93.07047	0.9
95.04980	0.6
95.08596	0.2
96.04494	0.2
96.05768	0.1
97.02887	0.7
97.06464	0.2
103.05445	0.4
105.03370	0.2
105.04538	0.1
105.07011	1.0
106.04165	0.4
107.04961	1.2
107.08600	0.3
109.02869	0.2
109.06505	0.2
110.07083	0.2
111.04428	0.2
115.05429	0.3
117.06994	0.2
117.45911	0.1
119.04915	0.2
119.08569	0.3
120.08115	0.3
121.06500	0.5
121.10108	0.4
122.03623	0.1
123.04421	3.8
124.05187	1.5
125.05965	0.2
126.05500	0.3
127.03909	0.2
128.06030	0.1
129.07018	0.2
129.10220	0.2
131.04958	0.2
131.08519	0.3
133.06479	0.6
133.10103	0.1
134.03586	0.2
135.04410	0.3
136.06187	0.9
137.05975	0.6
140.04666	0.1
143.08563	0.1
144.05649	0.2
144.06624	0.2
145.05055	0.1
145.05429	0.1
145.06482	0.8
147.04402	0.2
149.05943	0.8
149.09584	0.2
151.03912	0.6
151.07480	0.2
152.04648	1.3
152.05704	0.7
153.05206	0.1
157.06546	0.2
159.07993	0.2
161.06018	0.7
162.07611	0.4
166.06252	0.3
167.07028	100.0
168.04213	0.1
168.07405	1.5
173.05975	1.3
175.03841	0.1
175.07468	0.1
177.05475	0.2
179.07037	0.5
180.08723	0.2
181.04944	0.2
181.08574	0.8
187.07576	0.3
190.06245	0.8
191.06990	0.1
193.08603	4.2
201.05373	0.2
202.06314	0.1
203.07077	0.1
204.08788	0.3
205.08589	2.4
211.09642	7.4
217.08633	1.1
219.10100	0.6
235.09567	0.7
247.09737	0.3
248.08369	0.1
265.10785	0.8
279.10062	0.1
303.04883	0.2
315.08597	0.2
330.10831	0.2
331.11859	0.2
343.11267	0.1
371.14996	0.3
383.14935	0.9
401.15967	0.9
449.42926	0.1
567.95996	0.1
646.34045	0.2
796.32202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	22.2
57.07071	2.5
58.16934	2.2
65.03925	5.3
67.05506	77.0
68.05814	2.1
69.07071	12.7
71.04983	2.9
71.14054	4.0
71.14408	3.4
76.24742	2.0
79.05492	43.5
79.52979	2.0
81.03407	5.4
81.07056	55.1
83.04962	3.4
83.08603	6.1
85.06541	13.5
91.05485	32.6
93.07044	45.7
95.04969	61.3
95.08605	35.0
97.06538	3.1
97.10170	3.7
99.48175	2.2
105.07017	23.5
107.04955	11.2
107.08591	24.7
109.06523	57.5
109.10150	11.8
113.05993	23.8
117.07018	10.3
118.44057	2.3
119.08588	14.9
121.06443	6.2
121.10143	11.7
123.08034	2.8
123.11719	3.8
125.09641	3.1
128.06227	5.1
129.06993	9.0
131.08560	17.4
133.06520	3.5
133.10178	10.6
135.08055	36.0
135.11649	8.9
143.08559	7.6
145.10086	10.9
147.08041	7.7
147.11682	5.3
149.09560	5.4
149.13257	3.8
157.10150	7.3
159.11697	6.1
161.09615	6.7
163.11221	2.7
171.11720	3.3
173.13260	3.8
175.11295	2.5
175.14977	2.6
177.12807	3.3
184.07381	4.6
185.13390	3.6
187.14845	2.5
199.14871	3.0
201.12856	2.3
208.66722	2.4
215.34676	2.2
217.15843	10.4
245.18968	3.5
255.17392	4.0
273.18500	34.8
275.39005	2.3
291.19553	100.0
335.25809	77.9
335.29831	2.6
336.26294	2.9
347.22284	9.4
355.30624	3.3
365.23270	12.2
393.69968	2.6
412.81046	2.1
554.41028	2.3
607.43848	11.3
625.44586	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	805.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	22.4
57.15245	2.7
65.03934	4.2
67.05502	77.3
69.03420	3.3
69.07078	14.6
71.04997	3.7
71.59161	3.6
75.06366	3.0
77.71410	2.4
79.05494	45.8
81.03383	4.2
81.07053	52.4
83.08611	7.1
85.06535	11.8
86.43822	3.1
88.91425	3.2
91.05484	37.0
93.07037	50.3
95.04366	4.8
95.04962	56.4
95.08610	32.4
97.06550	5.6
97.10138	3.7
105.07015	27.5
107.04919	13.6
107.08583	27.1
109.06505	64.2
109.10144	12.8
111.08073	3.6
113.06001	28.3
117.06992	14.8
119.08585	20.1
121.06493	8.4
121.10147	18.5
123.08092	4.0
128.06212	4.0
129.06989	5.3
131.08569	20.1
133.10136	10.3
135.08060	43.5
135.11671	12.7
141.49890	2.4
143.08563	9.7
145.06435	3.9
145.10121	13.0
147.08051	5.5
147.11690	7.1
149.09622	4.7
149.13278	5.1
157.10162	5.9
159.11687	6.1
161.09607	8.1
161.13202	3.7
163.11143	3.5
169.10091	3.5
171.11646	4.8
173.09586	2.9
173.13184	4.3
184.07347	9.8
199.14819	3.4
209.97359	2.9
215.14337	3.0
217.15869	15.1
245.18994	3.6
273.18439	37.1
275.19843	3.0
291.19525	100.0
300.75687	3.1
309.21057	2.6
335.25781	37.9
347.22101	9.7
354.57993	2.9
365.23166	11.5
376.85721	2.9
607.43420	9.8
625.44531	46.3
652.11340	3.8
667.47168	3.2
801.22516	3.0
805.30774	4.1
832.31586	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	805.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32776	2.6
57.03431	20.0
57.07081	4.0
57.58417	3.2
65.03931	5.8
67.05504	75.1
69.07066	16.3
69.85152	19.5
79.05489	46.2
81.03405	6.7
81.07053	61.1
83.04983	3.8
83.08610	6.9
85.04222	3.1
85.06548	9.7
91.05477	43.4
93.07043	41.7
95.04961	52.3
95.08594	33.5
95.50821	3.7
97.06520	7.1
97.10168	3.9
105.07019	30.4
107.04975	10.5
107.08578	23.7
109.06511	64.2
109.10117	15.4
111.08082	3.6
113.05997	25.9
115.05373	3.2
117.07019	12.2
119.08572	22.5
121.06486	7.1
121.10123	18.3
123.07993	4.4
129.06978	7.9
131.08577	18.7
133.06503	5.1
133.10136	12.9
135.08040	41.1
135.11699	9.6
137.06006	3.4
143.08569	7.5
145.10097	13.7
147.08014	5.9
147.11679	8.0
149.09615	6.5
149.13248	4.6
157.10146	9.3
159.11707	8.6
161.09660	9.1
161.13254	4.5
171.11708	4.5
173.13283	8.7
184.07317	8.3
199.14928	3.7
217.15852	9.3
273.18506	40.9
291.19507	100.0
335.25800	87.0
337.60275	3.7
347.22287	10.0
365.23306	11.3
498.41324	3.2
499.87057	3.0
607.43304	11.9
625.44598	55.5
646.03217	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	805.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.0
57.98793	2.1
58.99582	9.8
61.02929	8.1
67.05504	9.8
69.03426	3.1
69.07074	2.4
70.06579	3.7
71.05000	2.3
71.57528	2.2
71.65498	1.4
72.08146	2.2
73.02921	3.3
76.02225	43.4
78.13738	1.6
79.05481	10.4
81.03417	100.0
81.07036	9.9
83.04980	6.2
83.08627	25.0
83.37727	1.7
84.08127	2.7
85.02905	16.3
86.99074	4.3
91.03948	7.2
91.05483	13.1
93.07023	7.3
95.04967	32.2
95.05553	2.0
95.08593	2.1
97.02890	10.5
97.06519	2.1
97.10141	2.0
100.02193	5.1
104.47100	1.4
105.07014	11.1
107.04961	7.5
107.08566	2.9
109.06557	2.6
111.04416	3.0
111.08094	13.9
115.05514	1.7
116.01699	14.9
117.07061	1.7
119.04917	1.9
119.08582	12.8
121.10134	5.0
123.04436	3.2
127.03895	3.8
129.07030	8.6
130.27777	1.6
131.08548	6.9
133.06482	4.9
133.10172	3.9
137.05960	1.8
142.07771	2.3
144.01166	9.1
145.04936	5.1
147.04385	3.2
147.08043	3.4
147.11707	9.2
149.09654	5.0
151.77107	1.7
157.10092	12.3
162.02208	29.6
163.06006	5.8
165.12766	2.0
175.11194	18.1
177.03294	3.4
179.04851	82.6
193.12236	79.7
203.04832	2.0
209.22800	1.6
211.13326	8.6
218.06644	1.6
232.85957	1.6
235.13219	1.9
236.46915	1.4
250.12643	3.8
267.15912	59.0
268.13675	1.8
277.14105	1.7
283.96106	1.5
285.16962	99.7
301.14560	2.5
309.16934	15.6
341.10028	10.4
351.18076	2.1
363.18124	5.4
368.70078	1.6
375.18231	2.6
393.19003	4.0
411.20251	3.1
429.21072	2.4
445.20160	14.5
463.21201	6.8
498.64514	1.5
500.57538	1.6
590.99799	1.5
625.26123	2.6
639.27313	1.6
806.29749	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.87988	0.7
61.02929	0.9
65.03933	4.5
67.05496	1.8
69.03418	4.0
69.26475	7.6
69.71223	0.6
70.06577	3.0
71.04960	0.7
73.02898	1.0
77.03922	0.8
78.04706	3.9
79.05489	2.7
81.03403	2.9
81.07041	1.0
82.04195	2.0
83.08638	0.8
84.04486	0.8
84.08115	1.8
84.34402	0.6
85.02898	8.3
85.07658	1.3
86.09692	2.3
89.03888	0.9
91.05479	6.2
93.03416	1.1
93.07027	1.8
95.04972	4.4
97.02880	3.1
97.06541	2.0
98.21612	1.1
100.11233	2.4
103.05476	4.0
105.03416	1.0
105.07021	1.1
106.04170	1.9
107.04949	6.5
109.02874	1.4
110.03648	2.0
111.04438	2.0
115.05455	8.2
117.03467	0.6
117.06998	9.5
119.04938	1.6
119.08558	0.9
120.08112	0.7
121.06513	3.7
123.04416	10.5
124.05216	3.4
125.05967	2.3
127.03954	1.1
127.05396	0.6
129.42387	0.7
131.04889	3.1
132.05670	0.7
133.02855	0.7
133.06488	1.4
134.03665	1.2
135.04414	1.0
137.05972	2.8
138.03070	1.7
140.04738	1.1
142.02632	1.8
143.04886	1.1
144.05658	0.6
145.02846	1.8
145.05405	1.4
145.06474	18.0
147.04430	2.4
147.08014	2.1
148.05150	1.4
149.06003	5.2
151.03859	1.9
151.07549	1.1
152.04666	2.6
153.05495	1.5
155.05971	4.7
159.04384	1.4
160.05206	1.3
161.06000	2.2
163.03889	1.9
163.07538	1.5
165.05478	1.7
167.07031	100.0
168.07417	1.7
171.06519	5.2
172.05302	0.7
173.05977	20.5
175.03922	1.2
175.06200	0.7
175.07555	2.9
177.05473	7.5
179.06993	1.3
181.04947	79.7
182.05312	0.9
182.15340	0.9
187.07549	1.1
188.04648	1.2
189.05421	1.4
191.07047	3.4
193.08633	1.8
195.06487	1.3
201.05487	2.9
203.06949	4.2
205.08542	7.0
207.06490	1.6
209.08067	4.0
210.14842	1.0
211.07651	0.9
217.08536	1.3
219.06540	2.3
219.10323	0.8
221.08044	1.7
222.06781	1.1
231.06512	0.9
233.08072	9.5
234.08841	4.7
235.07608	1.6
235.09688	7.8
237.09096	1.6
249.07608	0.8
250.06259	1.2
254.09332	0.9
263.06879	0.8
263.09381	1.1
264.07687	1.2
265.08621	2.3
267.09985	0.8
272.57224	0.7
278.05627	0.8
279.06470	0.7
283.09512	1.0
293.08081	1.6
297.11136	2.9
309.07678	0.7
310.08435	2.3
311.09152	1.2
325.10529	3.4
327.12183	1.0
329.13678	0.9
337.10757	1.3
341.10025	0.9
341.13791	0.8
342.10767	1.4
352.08878	0.9
353.10254	1.7
355.11624	1.2
357.13290	10.6
385.12799	42.2
386.13269	2.7
387.14206	5.7
397.12781	4.8
399.14420	1.0
403.13776	5.9
415.13806	7.6
416.14737	3.5
417.15485	12.4
577.19641	1.5
643.23792	47.3
644.23615	2.9
657.83557	0.9
679.51086	3.4
680.51416	1.8
805.28961	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	805.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
59.76044	0.4
61.02911	0.4
65.03931	4.1
67.05486	1.3
67.95812	0.4
69.03425	4.2
69.76517	0.8
69.76935	1.9
70.06580	1.3
73.02918	1.0
77.90031	0.5
78.04705	3.5
79.05497	2.2
81.03402	1.6
81.07084	0.7
82.04196	1.5
85.02901	6.6
91.05467	4.9
93.03403	1.1
93.07038	0.7
95.04973	3.6
97.02878	2.9
97.06525	1.9
98.20968	1.0
98.21518	0.4
103.05457	3.8
105.03389	0.9
105.07021	1.0
106.04182	2.0
107.04952	4.7
108.02084	1.2
109.02914	0.5
110.03674	2.7
111.04434	1.8
115.05438	8.1
117.07018	8.3
119.04955	0.8
119.08566	0.7
121.05698	0.4
121.06472	2.7
122.03644	0.8
122.52976	0.4
123.04419	10.5
124.05211	3.5
125.05965	2.0
127.03902	0.6
127.05428	1.5
128.06198	0.3
130.04099	0.7
131.04912	4.2
132.05666	0.5
133.02820	0.7
133.06451	0.5
134.03609	1.4
135.04398	1.4
137.05960	3.3
138.03088	1.2
139.03900	1.0
140.04662	1.1
142.02641	2.0
143.04890	1.4
145.02834	1.2
145.06477	15.4
147.04387	0.9
147.08034	1.5
148.05107	1.0
149.05974	3.7
151.03912	3.2
151.07512	1.2
152.04712	2.0
153.05426	1.9
154.06184	0.4
155.04865	0.8
155.06001	4.5
155.07079	0.5
157.06482	0.6
159.04440	0.8
160.05148	1.6
161.05978	2.5
163.03844	1.9
165.05449	2.0
165.06804	0.7
166.06207	0.6
167.07025	100.0
168.04095	0.5
168.07335	1.4
171.04276	0.4
171.06526	3.7
173.05977	22.1
174.06607	0.5
175.07561	2.7
175.82651	0.4
176.04602	0.6
177.05457	5.7
181.04942	72.7
182.05272	0.5
183.06393	0.4
188.04710	1.0
189.05542	0.7
189.09033	0.6
190.06216	1.0
191.07010	2.9
193.08618	1.4
195.06535	1.2
201.05389	2.1
203.07008	5.0
205.06709	0.4
205.08566	6.4
207.06458	0.9
207.08180	0.5
209.08023	3.7
213.05475	0.6
217.08540	0.8
219.06311	2.1
219.08261	0.5
221.06117	0.5
221.08124	1.1
222.06755	0.5
231.06573	1.2
233.05907	0.5
233.08038	9.6
234.06705	0.6
234.08836	3.9
235.07549	0.9
235.09641	7.4
236.08234	0.4
237.09163	1.0
237.11214	0.6
239.06975	0.5
245.07971	0.6
247.07370	0.6
250.06248	0.9
251.06879	0.6
263.06839	0.6
264.07745	0.9
265.08585	2.1
267.06509	0.8
267.10037	0.6
281.08078	0.5
282.08914	0.9
283.05838	0.4
283.09576	1.2
292.07184	0.6
293.08118	1.5
295.06284	0.6
295.09695	0.8
297.11121	1.8
298.11673	0.4
299.09229	0.6
303.04782	0.6
309.07803	0.7
310.08145	1.5
311.09079	0.4
314.07715	0.5
314.11340	0.6
324.09680	0.5
325.10611	2.1
326.11353	1.5
327.08652	0.5
329.13620	0.8
337.10535	0.8
339.12326	0.8
341.09943	0.6
342.10822	0.5
345.13092	0.5
353.10083	1.6
354.11014	0.6
355.11737	0.9
357.13300	9.6
367.11499	1.0
369.13376	0.6
385.12775	36.2
386.13174	1.9
387.14288	5.3
397.12833	4.4
399.14490	2.0
400.14618	0.8
403.13928	3.9
415.13858	7.3
416.14618	2.9
417.15417	16.2
554.18469	0.4
559.18372	0.6
577.19543	1.3
595.20935	0.7
643.23779	35.3
644.24335	2.2
665.21600	0.4
788.23584	0.5
805.16003	0.5
805.29071	7.1
806.29431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71845	2.4
57.03440	13.9
57.07070	4.4
57.93304	2.3
61.02917	7.7
65.03941	5.9
67.05503	100.0
69.03421	18.2
69.06722	3.6
69.07066	45.4
69.59304	17.2
71.04985	5.5
71.08625	2.1
73.02908	4.0
77.03902	2.9
79.05491	93.4
80.03934	2.0
81.03413	28.4
81.07054	98.5
83.04992	16.9
83.08621	23.9
85.02917	15.5
85.06524	5.2
91.03944	3.8
91.05479	83.7
93.06478	3.7
93.07043	70.9
95.04969	24.3
95.08604	51.9
96.00249	2.1
97.02899	13.2
97.06527	35.5
97.10175	22.7
98.20641	2.5
99.04459	6.9
99.08112	4.1
105.07027	70.8
107.04946	26.5
107.08593	59.6
109.02872	7.7
109.06507	16.3
109.10155	36.1
109.78797	2.5
109.86477	2.2
111.04434	4.0
111.08068	9.3
111.43595	2.6
115.05463	4.6
117.07021	31.8
119.04903	3.3
119.08580	47.0
121.06483	8.4
121.10155	24.3
123.08043	8.4
123.11685	9.4
125.09624	19.5
127.03898	10.6
128.06224	7.5
129.05536	3.6
129.07007	18.8
130.07790	2.5
131.04890	2.8
131.08575	39.1
133.06445	4.9
133.10130	40.1
135.08031	13.9
135.11708	13.2
137.09608	7.9
141.06956	6.5
142.07887	4.1
143.08513	15.7
144.44934	2.4
145.06459	7.2
145.10126	29.9
147.08025	4.9
147.11678	27.3
149.09637	26.1
149.13263	10.2
151.11182	6.3
155.08553	8.6
157.10097	15.0
159.08061	4.1
159.11700	30.0
161.09625	5.1
161.13266	9.0
163.11197	14.0
165.12663	2.8
167.08563	4.6
169.10106	13.0
171.10304	4.2
171.11690	14.0
173.04448	6.3
173.09555	5.9
173.11775	4.7
173.13243	12.4
175.11208	4.8
177.12775	8.5
179.14299	4.0
181.10147	2.9
183.11676	9.5
185.13254	6.9
187.11221	6.3
187.14778	2.8
189.11250	12.4
189.12714	2.8
195.11691	5.1
197.13261	8.2
199.11221	2.9
199.14751	3.7
201.09111	2.6
201.12718	4.3
205.12196	3.0
208.12369	2.7
209.13264	3.9
211.14888	3.4
217.15822	3.0
227.12761	29.1
229.14392	7.7
229.19568	3.0
239.18051	5.2
245.13716	2.8
247.20537	6.9
257.18973	16.3
259.20554	3.0
273.18463	5.0
275.20053	89.6
291.19489	4.1
293.21082	9.8
331.22882	4.0
349.23734	53.0
355.22720	2.5
383.22076	3.2
395.29367	3.0
469.33188	2.9
519.33020	6.4
529.35034	9.2
531.38379	2.7
543.36517	10.5
549.39038	3.8
623.43066	31.7
641.44006	27.7
785.47882	4.6
803.48584	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	26.6
57.07051	8.6
58.98818	5.0
61.02898	6.0
65.03915	7.6
67.05506	87.4
69.03420	9.1
69.07059	32.6
71.58047	5.3
71.58456	6.4
78.19909	5.6
79.05493	69.9
80.50730	4.5
81.03414	20.4
81.07047	100.0
83.04984	12.7
83.08607	13.7
85.02893	11.1
85.06534	18.8
86.09724	5.0
88.23661	5.1
91.05478	72.6
93.07050	57.5
95.04967	69.8
95.08602	64.2
97.02876	6.0
97.06521	15.8
97.10140	6.7
105.07026	69.8
107.04954	15.2
107.08599	40.9
109.02850	5.8
109.06514	58.5
109.10162	24.2
113.05997	30.9
117.07033	33.1
119.08596	47.0
121.06495	11.3
121.10112	21.0
123.08049	12.2
125.09678	5.6
127.03857	7.6
128.06221	6.6
128.71204	7.5
129.06993	18.1
131.08551	42.2
133.10127	37.1
135.08029	34.4
135.11682	20.8
141.06995	8.6
143.08560	21.2
145.06525	10.5
145.10138	42.4
147.08043	9.9
147.11670	20.9
149.09657	14.7
149.13319	10.3
151.11166	7.2
154.07831	5.2
155.08546	6.0
157.10162	21.2
159.08075	8.6
159.11649	24.9
161.09599	7.6
161.13228	8.2
163.11237	7.9
167.08577	7.0
169.10095	7.7
171.11664	18.0
173.13275	8.2
177.12776	8.7
182.58109	6.2
185.13223	16.0
187.11177	9.2
187.14851	8.6
189.05479	7.7
195.11745	5.9
199.14931	6.3
217.15955	5.9
222.44943	5.9
241.19521	7.0
259.20502	10.6
273.18585	29.6
275.20181	30.8
279.15881	30.5
291.19608	54.3
327.26520	7.4
333.24136	26.9
347.12613	6.1
347.22226	11.0
349.24094	9.5
365.23154	13.7
491.10046	5.7
513.36621	7.8
605.41943	13.8
623.42975	95.2
641.44427	32.0
716.33813	6.1
803.47980	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	803.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	15.7
57.07066	5.4
57.12992	2.6
59.05981	2.5
61.02909	5.8
65.03926	5.2
67.05502	100.0
69.03426	22.6
69.07061	43.7
71.04984	10.1
71.58022	5.2
73.02901	3.9
78.96498	3.1
79.05486	86.7
81.03415	51.0
81.06580	5.6
81.07053	99.4
83.04976	26.6
83.08611	20.8
85.02898	18.6
85.06532	7.0
91.03941	3.5
91.05479	86.8
93.07041	72.5
95.01277	3.0
95.04946	34.3
95.08601	55.6
97.02872	14.4
97.06525	39.3
97.10157	15.1
99.04459	8.3
99.08086	4.6
105.07024	79.5
107.04970	32.1
107.08591	59.8
109.02868	9.5
109.06532	18.3
109.10158	32.9
111.04431	6.5
111.08041	4.4
117.07015	34.4
119.07793	4.8
119.08582	55.6
121.06510	11.2
121.10120	33.9
123.08051	12.7
123.11694	9.1
125.09618	11.6
127.03902	11.6
128.06189	7.1
129.05482	3.8
129.06990	12.1
131.08568	44.0
133.06514	4.0
133.10117	48.9
135.08051	14.0
135.11664	19.2
137.09602	7.2
139.07495	3.8
141.06989	7.3
142.70665	2.8
143.08589	19.2
145.06487	5.0
145.10103	38.1
147.08014	8.5
147.11699	30.2
149.09595	20.4
149.13231	7.0
151.11189	5.8
155.08545	8.3
157.10123	13.8
159.11662	27.3
161.09619	7.0
161.13263	8.8
163.11211	14.9
165.09091	5.4
165.12845	5.4
167.08559	6.2
169.10139	10.8
171.11684	11.2
173.04456	12.9
173.11839	5.8
173.13158	15.7
175.11177	7.1
175.14825	5.9
177.09155	3.1
177.12756	6.1
179.14348	6.4
183.11732	9.7
184.07390	2.9
185.13211	8.1
187.11221	5.3
187.14861	6.3
189.11203	6.4
191.39473	2.9
193.12253	3.8
195.11728	3.2
195.13780	4.0
197.09494	3.3
197.13214	8.4
201.12639	2.7
201.16397	2.8
204.65028	2.9
205.12334	3.0
205.15996	3.3
209.13245	4.1
213.16393	4.1
223.13225	3.7
227.12767	9.4
229.14299	7.1
229.19513	6.7
233.15291	3.5
239.17899	6.7
245.19041	4.1
247.20580	4.4
249.16351	3.1
257.18933	15.2
259.20673	4.9
269.17578	6.3
273.18463	5.1
275.20071	100.0
275.23120	4.9
277.21683	4.3
287.19968	4.4
291.19534	7.6
293.21100	10.5
308.64035	3.2
331.22617	3.6
344.47897	3.1
349.23718	48.9
354.40771	3.0
365.22925	2.9
367.25238	6.3
503.33377	3.9
509.10037	3.8
543.36823	23.8
605.41644	4.9
623.43182	31.0
641.44171	17.6
665.43115	4.7
687.41266	5.3
785.47565	4.8
803.47723	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	803.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	14.7
57.07066	10.8
61.02909	11.1
65.03923	18.7
67.05503	100.0
69.03403	19.7
69.07064	43.4
71.04980	7.6
71.57919	5.4
71.58331	8.1
73.02914	8.6
79.05481	78.0
81.03416	30.7
81.07048	86.0
83.04969	8.1
83.08617	31.6
85.02905	13.1
85.06537	8.5
90.46909	7.2
91.05476	71.6
93.07036	67.3
95.04960	25.5
95.08610	56.4
97.02885	21.2
97.06522	18.3
97.10152	26.8
98.37130	6.4
105.07024	70.6
107.04954	11.3
107.08595	45.8
109.06492	12.3
109.10159	32.6
111.08067	10.2
117.07014	35.6
119.08572	52.1
121.06466	13.7
121.10128	28.9
123.08085	15.6
125.09616	23.2
129.06967	29.0
131.08545	44.0
133.06444	7.1
133.10133	39.1
135.11658	17.8
143.08565	21.4
145.10117	39.7
147.08049	14.9
147.11713	34.2
149.09578	11.1
149.13312	10.5
150.12651	7.1
155.08507	14.8
157.10117	21.5
159.08141	8.0
159.11673	26.3
161.13235	22.6
163.11198	10.8
169.10115	17.8
171.11687	24.3
173.13199	15.6
175.14772	7.8
181.10098	14.7
183.11659	9.0
184.07332	10.9
185.13297	15.7
189.11215	15.3
192.16765	6.5
193.12236	8.9
195.11737	12.0
197.13206	15.4
209.13307	7.2
211.14719	8.7
215.14268	6.4
227.12723	26.6
241.19519	12.3
253.19495	8.7
257.19025	7.6
259.20551	26.4
271.16888	7.8
273.18436	15.2
275.20105	28.1
291.19415	42.7
295.74609	7.3
325.94730	6.6
333.24121	16.1
335.25650	8.8
349.23761	9.4
379.29901	7.8
511.33878	8.5
513.36359	8.2
525.35968	11.7
529.35193	12.9
531.37903	11.0
543.36945	15.6
605.41766	12.7
623.42847	89.0
641.44336	34.6
737.54749	7.6
746.43433	9.0
776.84973	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	803.2021
Annotation	Quercetin 3-(2'''-feruloylsophoroside)
Peak:m/z	Relative Intensity
57.03422	0.7
57.73323	0.2
59.47457	0.2
61.02916	0.6
63.02362	0.5
63.25425	0.2
65.03931	0.5
68.99793	0.6
69.03431	2.2
70.06593	1.1
70.63267	0.5
71.01345	0.2
71.04974	0.4
73.02917	0.7
77.03918	0.2
78.04684	0.3
81.03416	4.7
84.04494	0.3
84.08133	0.2
85.02905	4.0
86.09673	0.3
89.03404	0.4
89.03918	5.7
91.05473	3.3
93.03375	0.3
95.04964	0.4
97.02877	1.5
98.06067	0.2
99.04485	0.6
103.05444	0.5
105.03401	0.2
107.04957	0.4
109.02872	1.9
111.00806	0.4
117.03375	16.7
119.04938	4.8
121.02849	1.0
124.05211	0.3
127.03922	2.7
134.03636	1.3
135.04414	1.6
137.02339	7.6
137.03366	0.4
137.05942	0.4
140.07147	0.3
145.02840	43.0
146.03230	0.6
147.04404	3.9
149.02325	1.0
149.05969	6.1
153.01833	2.8
157.25494	0.2
159.04370	0.2
162.03146	0.3
163.03896	1.4
165.01791	1.1
170.05653	0.2
171.02853	0.5
173.05992	0.3
175.03897	8.0
177.05461	100.0
178.05817	1.0
179.07051	0.4
183.02924	0.4
186.05495	1.2
187.03876	0.3
189.05148	0.5
192.04279	0.3
195.06496	1.1
201.05452	1.2
205.04912	0.3
207.06517	17.3
209.35246	0.2
219.06491	0.3
229.04916	2.2
247.05991	0.4
257.04443	2.3
261.03894	0.3
271.73654	0.2
274.04636	0.5
285.03934	0.4
303.04980	59.5
304.05270	1.0
313.06989	1.3
321.09668	6.9
327.04840	0.3
339.10718	4.7
345.05969	0.6
351.10660	1.1
369.11612	1.3
396.63998	0.2
515.09326	0.2
641.25415	0.5
753.25085	0.2
784.60040	0.2
803.29486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
61.02925	3.0
65.03935	1.7
67.05486	4.8
69.03417	2.1
69.07074	1.5
70.06583	4.5
71.05000	1.2
71.58566	2.2
72.08163	1.4
73.02924	1.7
73.07558	1.1
79.05495	3.5
81.03416	2.9
81.07047	5.3
85.02885	4.8
91.03949	3.0
91.05466	5.6
93.03413	1.2
93.07048	4.8
95.04951	2.7
95.08616	1.6
97.02882	4.2
99.30978	1.0
103.05427	1.4
105.07030	3.3
107.04945	3.3
107.08594	1.5
109.02811	1.5
109.06509	2.0
115.05484	1.3
117.07008	4.2
119.04926	2.6
119.08597	3.1
120.08084	1.6
121.06512	1.7
121.10121	1.2
123.04429	1.8
125.02335	1.9
127.03902	2.0
129.06996	3.0
129.10159	1.8
131.04897	1.2
131.08537	2.3
133.02893	1.6
133.06488	2.7
133.10138	2.7
135.04449	3.0
137.05997	1.6
141.06982	1.9
145.06487	3.5
145.10115	2.2
147.04430	2.3
147.08015	1.4
147.11716	1.4
149.02318	1.8
149.05931	1.4
151.03891	2.3
155.08586	2.5
157.06517	2.7
157.10146	2.0
159.04378	1.8
161.06003	3.5
163.03874	2.3
167.08548	1.7
171.04420	2.6
171.08025	1.6
173.05959	4.5
173.09702	1.3
175.03928	3.3
175.07515	1.1
177.05501	3.1
179.03351	1.8
183.08032	2.2
185.06122	1.2
185.09486	2.3
187.03859	1.7
187.11082	1.5
189.05479	4.4
189.09132	1.3
195.11591	1.6
197.04518	1.3
199.11096	2.5
201.05341	2.2
205.10063	1.8
213.09062	1.3
213.12730	1.8
215.10655	1.7
217.04901	2.1
221.04427	8.5
223.11176	1.6
225.09164	1.8
225.12708	1.6
227.10707	2.0
231.10176	1.7
231.13783	1.6
233.11697	4.6
235.06055	2.8
239.10513	1.9
241.08495	1.5
241.12247	4.3
242.45917	1.2
243.10080	2.4
245.11880	2.8
251.10658	3.0
255.10178	1.9
259.09494	1.3
259.13303	4.6
261.11234	1.8
269.11661	5.8
271.13272	1.5
277.10718	4.8
287.12830	7.2
297.11206	4.5
303.05060	1.5
303.12256	1.6
305.13739	3.8
311.47986	1.4
315.12259	14.3
333.13290	62.0
334.13791	2.2
351.14438	14.7
407.16959	16.2
425.18054	100.0
426.18314	2.3
443.19119	22.1
613.39978	1.2
778.90375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71865	0.4
57.03435	3.0
65.03934	0.8
67.05488	3.0
69.03428	6.5
69.07076	0.9
70.06593	0.9
71.04982	0.9
71.57922	1.0
72.08162	0.9
73.02901	1.0
75.04473	2.6
77.03915	0.6
79.05060	1.0
79.05489	13.8
81.03412	6.7
81.07043	4.2
83.04987	1.0
84.04487	0.7
84.08147	0.7
85.02897	4.1
86.09736	0.6
89.97215	0.6
91.04903	0.8
91.05477	13.9
93.07038	43.2
94.04187	4.3
95.04975	5.4
95.08583	2.0
97.02885	5.9
97.06500	0.8
99.04456	1.1
103.05457	3.2
105.04510	1.3
105.07020	11.8
107.04948	1.8
107.08591	6.7
109.02873	2.9
109.06487	3.0
109.10149	1.0
111.04440	0.8
111.08083	1.5
115.03940	1.1
115.05446	4.2
116.07046	0.5
117.03382	0.8
117.06993	2.7
119.04941	2.2
119.08578	10.8
121.06526	2.4
121.10137	50.3
122.03633	7.5
123.08060	1.3
123.11710	1.9
127.03898	2.2
128.06203	3.4
128.60526	0.5
129.07008	3.5
129.10251	0.6
131.04951	2.5
131.08536	4.5
132.05692	1.7
133.06480	4.4
133.10139	1.1
135.08041	0.8
137.05972	100.0
138.06250	0.7
139.11165	1.8
141.06964	1.0
143.04932	1.0
143.08597	0.7
144.05731	0.7
145.02852	1.5
145.05002	0.6
145.06483	1.9
145.10095	1.4
146.03577	0.7
147.04410	2.9
147.08058	4.4
149.05959	1.9
149.09612	15.0
149.10756	1.1
151.03876	0.7
151.07582	1.3
153.06970	0.6
154.08594	0.6
155.04904	1.1
157.06532	1.0
159.08012	3.4
159.11673	0.7
160.05200	1.9
161.05969	14.0
161.09680	1.0
162.07678	0.9
163.07536	3.2
165.06918	0.8
165.09129	1.5
167.07043	1.1
167.10678	4.2
170.22020	0.5
171.08037	1.1
172.05144	1.6
174.06697	0.8
175.07533	30.0
177.05467	3.1
177.09087	1.1
179.07112	1.1
184.05252	1.1
185.06056	0.6
187.07544	12.3
189.05415	0.7
189.07033	1.4
189.09100	1.8
190.07793	2.2
191.06932	0.9
191.08554	7.4
195.08113	0.6
199.07523	9.8
200.26645	0.6
201.05597	0.6
201.09113	1.3
202.07738	2.6
203.06902	0.7
203.08582	5.4
205.06535	1.2
205.08450	0.8
207.06419	1.4
208.08812	0.9
215.10571	0.6
217.06607	0.6
217.08638	1.7
218.07310	2.3
219.08054	12.4
220.08878	3.2
221.06009	0.6
221.09601	0.6
229.12263	0.7
231.08043	5.7
232.08775	1.3
233.09709	0.8
235.07556	1.5
236.08327	2.3
237.09142	1.2
239.10724	0.7
241.08546	0.8
247.07559	5.2
248.08308	3.8
249.09061	1.8
251.10669	14.6
252.11145	0.7
253.08650	0.7
259.07584	3.5
260.08368	2.3
261.09030	1.6
262.09799	0.8
263.07138	0.8
263.10693	3.7
264.07846	1.6
265.08627	1.5
271.07510	0.6
273.15375	0.5
276.07861	2.4
277.08646	2.2
279.10168	10.3
280.10892	1.3
281.08054	0.7
289.08591	1.2
291.10110	9.4
292.10855	2.6
293.08383	0.9
293.13904	3.9
295.09747	0.6
295.13312	0.9
296.10419	1.3
297.14828	0.6
307.09567	0.9
308.10327	1.0
309.11334	0.7
310.11880	0.8
311.12659	27.7
315.10043	0.7
320.10641	0.6
321.11264	3.1
322.11917	1.2
323.12787	16.1
324.13040	0.6
325.14578	1.4
335.12878	3.0
337.14365	0.6
341.14066	0.8
345.11047	0.8
347.12683	0.6
377.17703	0.6
401.13718	0.9
459.21594	0.8
639.35315	0.7
794.48724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71865	0.4
57.03435	3.0
65.03934	0.8
67.05488	3.0
69.03428	6.5
69.07076	0.9
70.06593	0.9
71.04982	0.9
71.57922	1.0
72.08162	0.9
73.02901	1.0
75.04473	2.6
77.03915	0.6
79.05060	1.0
79.05489	13.8
81.03412	6.7
81.07043	4.2
83.04987	1.0
84.04487	0.7
84.08147	0.7
85.02897	4.1
86.09736	0.6
89.97215	0.6
91.04903	0.8
91.05477	13.9
93.07038	43.2
94.04187	4.3
95.04975	5.4
95.08583	2.0
97.02885	5.9
97.06500	0.8
99.04456	1.1
103.05457	3.2
105.04510	1.3
105.07020	11.8
107.04948	1.8
107.08591	6.7
109.02873	2.9
109.06487	3.0
109.10149	1.0
111.04440	0.8
111.08083	1.5
115.03940	1.1
115.05446	4.2
116.07046	0.5
117.03382	0.8
117.06993	2.7
119.04941	2.2
119.08578	10.8
121.06526	2.4
121.10137	50.3
122.03633	7.5
123.08060	1.3
123.11710	1.9
127.03898	2.2
128.06203	3.4
128.60526	0.5
129.07008	3.5
129.10251	0.6
131.04951	2.5
131.08536	4.5
132.05692	1.7
133.06480	4.4
133.10139	1.1
135.08041	0.8
137.05972	100.0
138.06250	0.7
139.11165	1.8
141.06964	1.0
143.04932	1.0
143.08597	0.7
144.05731	0.7
145.02852	1.5
145.05002	0.6
145.06483	1.9
145.10095	1.4
146.03577	0.7
147.04410	2.9
147.08058	4.4
149.05959	1.9
149.09612	15.0
149.10756	1.1
151.03876	0.7
151.07582	1.3
153.06970	0.6
154.08594	0.6
155.04904	1.1
157.06532	1.0
159.08012	3.4
159.11673	0.7
160.05200	1.9
161.05969	14.0
161.09680	1.0
162.07678	0.9
163.07536	3.2
165.06918	0.8
165.09129	1.5
167.07043	1.1
167.10678	4.2
170.22020	0.5
171.08037	1.1
172.05144	1.6
174.06697	0.8
175.07533	30.0
177.05467	3.1
177.09087	1.1
179.07112	1.1
184.05252	1.1
185.06056	0.6
187.07544	12.3
189.05415	0.7
189.07033	1.4
189.09100	1.8
190.07793	2.2
191.06932	0.9
191.08554	7.4
195.08113	0.6
199.07523	9.8
200.26645	0.6
201.05597	0.6
201.09113	1.3
202.07738	2.6
203.06902	0.7
203.08582	5.4
205.06535	1.2
205.08450	0.8
207.06419	1.4
208.08812	0.9
215.10571	0.6
217.06607	0.6
217.08638	1.7
218.07310	2.3
219.08054	12.4
220.08878	3.2
221.06009	0.6
221.09601	0.6
229.12263	0.7
231.08043	5.7
232.08775	1.3
233.09709	0.8
235.07556	1.5
236.08327	2.3
237.09142	1.2
239.10724	0.7
241.08546	0.8
247.07559	5.2
248.08308	3.8
249.09061	1.8
251.10669	14.6
252.11145	0.7
253.08650	0.7
259.07584	3.5
260.08368	2.3
261.09030	1.6
262.09799	0.8
263.07138	0.8
263.10693	3.7
264.07846	1.6
265.08627	1.5
271.07510	0.6
273.15375	0.5
276.07861	2.4
277.08646	2.2
279.10168	10.3
280.10892	1.3
281.08054	0.7
289.08591	1.2
291.10110	9.4
292.10855	2.6
293.08383	0.9
293.13904	3.9
295.09747	0.6
295.13312	0.9
296.10419	1.3
297.14828	0.6
307.09567	0.9
308.10327	1.0
309.11334	0.7
310.11880	0.8
311.12659	27.7
315.10043	0.7
320.10641	0.6
321.11264	3.1
322.11917	1.2
323.12787	16.1
324.13040	0.6
325.14578	1.4
335.12878	3.0
337.14365	0.6
341.14066	0.8
345.11047	0.8
347.12683	0.6
377.17703	0.6
401.13718	0.9
459.21594	0.8
639.35315	0.7
794.48724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.89164	0.8
62.24374	0.7
65.03932	1.9
66.61384	0.6
67.05491	1.3
69.03414	1.7
70.06604	6.1
71.04686	0.6
71.04993	5.9
71.58103	0.8
71.58532	1.0
72.08147	1.5
74.76755	0.6
79.05476	1.3
81.03429	4.4
81.07069	1.3
83.04959	1.2
84.04499	1.7
84.08125	2.2
85.02907	7.8
86.09703	2.9
89.03934	0.7
91.05476	14.8
92.05730	0.7
95.04968	1.4
97.02888	1.4
99.04472	0.8
105.07021	1.1
107.41888	0.7
109.02850	0.9
113.81528	0.7
119.04955	20.1
120.08100	1.9
121.02872	5.5
121.10147	0.9
124.17067	0.7
127.03918	1.9
129.05542	1.4
129.10287	1.0
131.04904	1.2
137.02290	0.7
137.05989	2.0
145.02853	0.9
147.04425	19.4
153.01819	1.5
157.03963	1.3
165.01759	0.9
167.07059	0.8
175.03918	40.6
177.05463	2.8
179.07034	2.4
192.04305	1.0
207.06535	100.0
208.06891	1.5
217.08618	0.7
241.05028	1.0
287.05508	53.6
299.05359	0.9
329.06558	1.2
331.08063	0.9
351.10754	5.1
361.02234	2.0
369.11771	6.6
541.10352	1.1
655.16602	1.6
801.27557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03131	1.0
57.07056	1.0
71.59003	2.0
81.07044	1.2
87.04445	4.7
95.08567	1.5
184.07321	3.0
200.90654	1.1
209.10764	1.3
223.12325	1.1
224.13214	0.9
224.39021	0.9
225.13882	3.7
237.13809	1.6
249.13983	1.1
251.08168	2.4
253.84702	1.0
319.45520	1.1
330.16110	1.0
338.08899	0.8
387.94461	1.1
399.19287	1.0
403.15234	1.2
417.16544	4.8
418.17505	2.2
429.17175	1.1
431.18665	2.0
432.19260	2.7
433.20001	5.4
446.21033	1.2
447.21814	10.3
448.22507	1.9
461.19577	1.1
474.20511	3.3
475.21252	28.3
475.40399	1.3
476.21863	6.7
489.22910	2.3
503.20697	1.8
535.23358	16.1
536.23962	1.2
547.23468	2.9
549.24902	1.2
561.24939	7.2
562.25842	7.1
563.26215	3.3
579.25690	1.2
607.25195	2.8
621.27252	10.4
622.27832	100.0
623.27936	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	795.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
61.02925	4.8
64.72918	0.5
67.05503	4.7
67.10262	0.5
69.03421	3.0
69.07066	2.1
71.04993	2.0
71.32198	1.3
73.02931	3.4
73.03289	0.6
76.99535	0.5
79.05488	5.8
81.03419	3.1
81.07055	5.2
83.05004	1.0
83.08630	1.1
85.02901	4.4
85.59795	0.5
86.09704	1.3
87.04475	0.6
91.03967	2.3
91.05476	4.2
93.07027	6.0
95.04974	1.5
95.08599	2.8
97.02886	4.0
97.10172	0.6
99.04468	1.2
101.02420	1.3
103.03899	0.5
105.07016	4.6
107.08593	3.2
109.02876	0.8
109.10152	1.1
111.04340	0.6
111.08174	0.6
117.07023	1.1
119.08588	2.4
121.10150	2.4
124.55567	0.6
125.00010	0.7
127.03931	1.8
129.07034	1.1
131.08598	2.0
133.10117	3.2
135.11740	1.2
136.06166	0.6
143.08607	0.7
145.10197	0.8
146.29422	0.5
147.11739	1.5
149.09644	1.2
157.10178	1.3
175.11241	0.5
183.13872	0.7
184.07353	4.4
185.04247	0.9
185.07816	0.6
190.80757	0.6
193.12254	1.2
243.08386	3.4
259.20581	0.9
267.15811	0.8
283.15247	3.9
283.17993	0.6
301.08984	1.8
313.09143	0.6
339.17816	0.5
341.12067	0.5
381.18900	0.7
385.19046	0.5
397.18234	0.9
427.19089	0.6
465.21057	0.8
469.20752	0.7
478.23065	0.7
485.23700	2.1
501.23111	9.2
535.28693	5.2
551.28326	0.8
573.25488	1.5
705.38513	0.8
721.38501	0.6
795.45001	100.0
796.45209	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	795.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15566	0.8
71.58424	0.9
79.37675	0.6
81.07039	1.3
91.05477	1.1
91.77470	0.6
93.07047	0.7
105.07079	0.8
118.06575	0.9
118.39304	0.6
119.23366	0.7
123.07279	0.6
129.54362	0.6
193.10895	0.6
196.09894	0.8
197.10931	0.9
221.10745	0.8
223.08759	1.1
223.12399	1.0
224.12990	1.2
225.10190	1.4
225.13913	2.8
226.14590	1.1
232.42458	0.6
237.13928	1.9
238.14606	0.8
251.08188	2.3
269.12936	0.8
314.12787	0.9
316.68033	0.7
368.13745	0.8
389.17697	1.4
398.15262	0.8
403.15259	1.4
403.19879	0.9
416.16489	0.8
417.16983	4.1
418.17816	2.8
419.18207	0.7
431.18903	3.5
432.19376	2.6
433.20288	5.2
445.16086	1.7
447.21811	10.7
448.22574	1.3
461.19614	1.9
463.16916	0.9
474.20209	1.0
475.21283	26.8
476.21942	4.2
503.20020	3.6
507.24130	1.4
519.23895	1.6
521.25360	0.7
534.26532	1.1
535.23340	16.9
547.23413	2.8
549.24805	2.9
561.24939	6.7
562.25714	6.2
563.26660	2.6
590.25269	2.1
607.25555	1.7
621.26917	9.4
622.27820	100.0
623.28107	2.8
728.38605	0.8
795.44604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38195	0.3
67.05502	0.8
68.38520	0.3
71.18911	0.4
71.19262	0.7
77.11031	0.3
81.03445	0.4
81.07063	0.7
91.05466	0.8
93.07047	0.6
102.03575	0.3
109.10157	0.5
118.25398	0.4
120.08120	0.5
123.04424	0.3
127.03903	0.3
130.07219	0.4
132.08078	0.4
144.08043	0.4
149.53812	0.3
154.40205	0.3
158.55360	0.3
183.09297	0.3
184.07437	0.5
195.09055	0.5
196.09906	0.6
197.10762	0.8
204.06535	0.6
208.09831	0.5
209.10780	0.8
210.11583	0.9
211.08705	0.7
211.12410	0.6
212.13097	0.4
212.92471	0.3
221.10802	0.7
222.11546	0.7
223.08777	0.5
223.12271	1.5
224.13127	0.8
225.10280	1.3
225.13878	3.5
226.14615	0.8
235.08720	0.4
235.12346	1.0
236.13118	0.6
237.10265	0.6
237.13860	2.0
238.14723	0.5
239.08255	0.3
239.15352	0.6
249.13950	1.3
251.08109	2.4
251.11935	0.4
263.08170	0.4
265.09628	0.4
270.13727	0.4
275.15555	0.4
277.06165	0.6
300.11423	0.4
301.12018	0.6
302.12991	0.4
309.08688	0.6
314.12827	0.7
316.14444	0.8
324.15131	0.4
325.12234	0.4
326.13208	0.5
328.14664	0.4
331.14395	0.4
341.11572	0.4
352.14612	0.6
358.15659	0.4
364.70786	0.4
366.16080	0.5
368.14023	0.5
388.13266	0.4
389.17758	1.1
400.14038	0.4
402.14435	0.6
403.15549	1.3
403.19867	0.8
404.15839	0.6
404.20602	0.8
405.21118	0.7
412.16422	0.6
415.15302	0.6
416.16678	0.5
417.16943	4.0
418.17761	2.9
419.18643	1.2
419.23181	0.8
429.17352	0.6
430.13803	0.4
431.13733	0.4
431.18723	2.5
432.19543	2.6
433.20090	4.5
443.17142	0.4
445.16431	1.4
445.21304	0.7
446.21274	0.7
447.21906	12.0
448.22729	1.8
455.18484	0.6
458.17441	0.6
459.21716	1.2
460.18710	0.6
461.19263	1.0
462.20581	0.7
473.20346	0.5
474.20529	1.3
475.21298	29.0
476.21988	5.6
477.22949	0.7
487.21561	1.1
488.17960	0.4
489.22900	1.4
491.21558	0.4
493.22372	0.7
503.20358	3.5
507.23575	0.7
515.20837	0.5
517.22406	0.4
519.24469	1.6
521.24274	0.4
533.23364	0.4
534.25854	0.7
535.23364	16.1
536.23853	0.5
547.23627	2.8
549.24554	1.9
551.26215	0.4
561.24957	7.9
562.25751	8.6
563.26520	2.6
575.22784	0.5
576.70990	0.4
579.26190	0.7
589.24866	0.6
590.25494	3.9
607.25739	1.0
621.27087	9.9
622.27844	100.0
623.28076	3.5
635.76495	0.4
795.42645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	1.6
69.31445	0.9
69.31848	4.1
79.05477	0.8
81.07045	1.2
86.09676	0.5
91.05460	0.9
93.07039	0.7
95.08612	0.9
99.49418	0.4
109.10165	0.5
118.06496	0.7
147.04329	0.8
159.74919	0.4
172.03830	0.6
180.28642	0.5
184.07370	2.0
195.09302	0.7
209.10666	0.7
210.11560	1.0
211.08609	0.5
221.10733	0.6
223.08743	0.6
223.12393	1.6
224.13182	0.6
225.10316	1.2
225.13826	3.1
226.14760	0.6
235.12245	0.7
236.13065	0.4
237.13878	1.5
238.14789	0.7
239.15405	0.6
247.12360	0.5
249.13913	1.6
250.64490	0.5
251.08220	1.9
263.96909	0.5
270.13791	0.6
275.15100	0.5
301.12302	0.6
309.08591	0.5
314.12833	0.7
340.14517	0.6
352.14557	0.6
375.15918	0.6
389.17981	1.1
399.19382	0.6
402.14996	0.7
403.15479	1.4
404.15982	0.8
405.20966	0.9
416.16815	0.6
417.16928	3.7
418.17761	2.4
419.18362	0.7
420.23602	0.6
431.18863	1.6
432.19476	2.2
433.20111	5.0
444.20737	0.5
445.16522	1.7
446.21188	0.9
447.21884	10.5
448.22430	1.5
458.17438	0.8
460.18958	0.8
461.18750	0.6
474.20044	1.1
475.21240	28.0
476.21973	5.7
489.22943	1.3
503.20215	3.5
519.23828	1.7
530.42480	0.5
535.23303	15.2
547.23242	2.5
549.24866	1.8
561.25006	5.8
562.25616	8.9
563.26392	3.5
579.25928	0.7
589.24390	0.9
590.25262	4.9
604.76062	0.6
607.25696	1.2
621.26996	8.3
622.27808	100.0
623.27856	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	795.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13830	1.2
67.05497	1.8
70.90356	1.1
79.05493	1.5
81.07050	3.2
86.89996	1.1
91.05447	2.0
93.07042	1.5
107.08587	1.9
133.10123	1.2
184.07368	2.5
210.11493	2.0
224.13116	1.4
225.13849	3.4
237.13892	2.5
249.14027	1.5
251.08118	2.8
269.90732	1.2
309.08551	1.3
417.17062	6.0
418.17822	3.2
431.18835	2.1
432.19305	4.1
433.20026	6.3
445.16180	2.2
447.21933	14.1
448.22415	2.4
475.21249	31.7
476.21869	7.5
493.21838	1.3
503.20428	3.9
519.23560	1.8
535.23407	18.6
547.23065	3.8
549.25171	2.0
561.24921	10.1
562.25714	15.0
563.25793	2.9
590.25122	4.5
607.25439	3.4
621.27026	15.1
622.27832	100.0
623.27985	2.2
749.44733	2.2
795.44800	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	794.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.9
60.04522	1.5
61.02902	2.2
65.03931	5.2
67.05501	4.3
69.03426	4.1
69.07059	1.2
69.26083	8.8
70.06598	7.0
71.04984	1.9
72.04514	1.3
72.08151	1.2
73.02914	1.0
75.04484	3.1
77.03934	1.3
78.04706	2.4
79.05502	5.9
81.03426	6.3
81.07043	2.8
82.04226	1.4
83.04983	1.4
84.04504	3.2
84.08150	3.2
85.02911	10.6
86.06076	1.3
86.09686	2.7
89.03911	1.7
89.06059	1.1
90.25556	0.9
91.05487	15.5
93.03417	8.0
93.07045	8.5
94.04205	1.5
95.04964	10.3
97.02922	5.2
97.06522	3.8
98.06034	1.7
102.04714	1.1
103.05466	30.3
105.03412	1.8
105.07040	8.4
106.04178	17.1
107.04984	9.1
107.08586	0.8
108.02090	2.1
109.02885	2.1
109.06545	2.2
110.03687	2.4
110.07114	1.0
111.04437	2.5
115.03909	1.5
115.05448	6.5
116.44849	0.8
117.07021	5.1
118.04147	4.5
119.04937	6.7
119.08581	4.8
120.05732	1.4
120.08109	1.5
121.06507	19.7
121.10173	3.0
122.03637	4.1
123.04427	5.5
124.05190	2.0
125.05990	8.3
127.03922	2.1
129.06972	2.9
129.10252	2.5
130.04160	2.4
131.04929	36.6
131.08537	1.9
132.05684	1.5
133.02852	3.4
133.06503	9.5
133.10150	0.9
134.03635	3.3
135.04427	2.5
135.08023	1.7
136.06178	8.8
137.02332	1.0
137.05980	53.8
138.06772	0.9
139.07538	1.9
141.05446	2.1
143.04918	1.0
143.06122	1.1
144.05667	1.2
145.02869	2.3
145.05002	1.5
145.06494	8.6
146.03604	1.6
147.04399	5.2
147.08038	2.5
148.05185	13.6
149.05991	30.5
149.09642	1.8
150.06479	1.4
151.03914	57.1
151.05005	3.5
151.07579	3.6
152.04477	1.4
153.01736	1.2
153.05466	3.7
153.09134	6.9
157.06516	1.4
159.04385	1.6
159.07988	1.8
160.05203	2.6
161.05995	10.7
162.07635	11.8
163.03918	3.4
163.07545	29.7
165.05504	4.7
165.09163	1.5
166.06264	1.0
167.07045	37.0
171.04407	1.2
171.06570	2.6
173.06059	5.7
174.06718	1.6
175.03967	1.0
175.07556	6.2
176.04686	3.0
177.05481	20.8
177.06851	1.0
177.09082	1.0
178.06113	2.2
179.07048	3.9
180.08708	1.1
181.04976	42.1
181.08560	16.7
187.07542	3.7
189.05466	1.8
189.07072	1.0
189.09099	1.6
190.06148	1.5
191.07034	88.5
191.71078	0.8
192.07573	2.1
193.04993	2.2
193.08591	6.4
195.06554	3.7
199.07608	1.0
203.07082	3.3
205.06723	1.5
205.08636	4.6
207.06538	2.2
207.10207	1.9
209.08090	100.0
217.08545	4.1
219.08223	1.6
219.10005	4.1
221.08206	1.3
227.07045	1.4
233.08110	3.9
234.06789	1.3
235.07549	1.9
235.09497	4.7
245.08078	1.3
249.09042	1.2
263.06631	1.6
263.09186	19.6
265.08463	1.5
267.10117	1.2
269.08270	1.2
277.08646	1.7
284.24716	0.9
295.09708	2.5
297.11282	1.0
303.05133	2.0
304.05353	1.0
309.11261	1.3
310.08344	0.9
325.10516	1.6
327.12378	2.0
329.06754	0.9
329.13998	1.7
337.10626	1.3
355.11807	5.4
355.15567	0.9
357.13278	3.6
369.13373	2.5
385.12833	3.5
387.14386	22.2
399.14496	1.9
417.15451	9.3
492.24603	1.0
547.19623	1.5
555.46350	1.0
579.22119	1.3
614.34814	1.3
626.54578	1.0
632.10431	2.6
632.30182	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05307	1.8
55.05513	17.5
57.03443	11.5
65.03939	2.3
67.05509	62.9
69.07068	16.9
71.01206	5.2
76.13983	2.0
79.05492	41.1
81.07056	63.3
83.08610	7.4
85.02879	2.3
90.68409	2.4
91.05492	26.6
93.07052	46.9
95.04971	5.4
95.08605	49.6
97.06520	2.2
97.10162	3.5
105.07036	17.8
107.08587	22.8
109.10160	24.6
117.07019	8.7
119.08582	18.0
121.10134	20.4
123.11721	7.6
130.08611	2.6
130.15880	5.8
131.08580	13.2
133.10100	11.3
135.08134	2.0
135.11696	12.0
137.13298	3.6
143.08495	3.0
145.10085	10.2
147.11684	9.6
149.13240	7.4
157.10112	2.8
159.11740	11.2
161.13266	8.3
163.14850	4.0
171.11554	2.3
173.13258	7.0
187.14758	3.5
241.19606	2.3
243.21008	4.5
259.20563	7.7
261.22116	19.4
266.73126	2.2
293.89059	2.7
299.23950	2.6
317.24570	6.2
333.24222	5.9
335.25818	100.0
337.27243	9.3
392.58871	2.2
396.69205	2.2
536.01337	2.6
595.47095	15.1
611.75769	2.5
613.47943	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	792.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05505	3.0
56.05037	1.1
57.03443	1.0
57.07070	0.9
60.04514	2.5
61.02928	3.2
64.32034	0.6
65.03925	0.6
67.05499	6.1
69.03422	2.7
69.07065	4.8
71.04990	1.1
71.58952	0.9
73.02920	12.9
73.50018	0.6
79.05502	3.9
80.05006	0.6
81.03406	2.0
81.07056	10.0
83.04975	0.8
83.08609	2.6
84.04503	54.2
85.02882	2.6
86.09697	1.7
91.05486	2.7
93.07043	7.4
95.04970	1.3
95.08599	14.0
96.04499	4.9
97.02882	3.2
97.10139	1.4
98.06077	4.2
98.19199	0.5
105.07024	5.2
107.04903	0.6
107.08596	7.7
108.04461	0.9
109.02864	1.4
109.06521	0.6
109.10142	7.6
115.03922	2.4
117.07065	0.6
119.08591	6.2
121.10142	7.7
123.11690	3.8
126.05510	80.1
127.03911	2.2
127.05871	0.6
129.05534	0.7
131.08594	3.0
133.04936	0.7
133.10138	5.8
135.11696	5.4
136.06158	0.7
137.13280	2.7
137.51343	0.6
138.05493	40.3
139.05823	0.6
143.08630	0.7
144.06543	8.6
145.10133	3.8
147.11659	3.4
149.09584	0.7
149.13283	5.3
153.09155	0.6
157.10094	0.6
159.11679	1.8
161.13264	1.9
163.11237	0.6
168.06563	16.6
171.11644	0.9
171.32503	0.5
173.13237	1.5
175.14795	1.5
177.16302	1.3
184.07317	4.2
186.07599	12.3
187.14816	0.8
189.16374	4.5
191.17920	4.6
193.12364	0.5
199.14790	0.8
201.16382	8.8
203.17976	3.5
204.08667	100.0
205.08931	1.0
205.19516	5.4
213.16301	0.6
215.17975	4.1
217.19536	1.2
222.09732	13.1
231.20979	0.7
235.16887	0.9
241.19508	0.6
243.21025	1.2
247.16875	2.6
258.09662	0.8
261.18481	1.8
298.26550	0.6
300.10739	1.0
336.12857	31.2
354.13794	1.0
393.35263	1.0
439.35574	4.5
559.36084	1.5
562.49854	0.6
793.39264	1.1
812.33362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.3
55.05511	15.4
57.03433	4.7
57.07079	1.8
59.05001	2.4
61.02925	2.4
65.03917	1.8
67.05504	41.2
69.03426	3.7
69.07067	13.7
69.81728	1.0
71.04992	19.8
71.58412	2.5
75.81924	1.2
79.05061	2.3
79.05492	30.7
81.03427	5.0
81.07057	100.0
83.04970	7.4
83.08633	8.7
85.02901	3.7
85.06560	7.6
91.05482	28.6
93.07043	31.2
95.04974	8.1
95.08607	19.5
97.06509	7.2
97.10185	3.1
99.08093	3.2
105.07028	25.2
107.04973	4.8
107.08600	16.2
109.06522	19.4
109.10167	11.5
111.08088	4.5
117.07016	7.9
119.08586	15.6
121.06475	3.6
121.10149	12.5
123.08067	6.5
123.11699	12.3
129.05424	1.2
129.07024	3.0
131.08580	10.2
133.10133	22.1
135.08040	3.0
135.11705	5.5
137.09615	3.8
137.13199	1.4
143.08565	2.8
145.10117	9.1
147.08067	2.5
147.11670	15.1
149.09587	3.4
149.13280	8.1
149.37601	1.3
151.11212	6.3
157.10126	3.6
159.11711	8.5
161.13246	4.0
163.11209	5.5
165.12769	4.8
169.10034	1.8
171.11737	2.0
173.09619	1.8
173.11975	1.4
173.13312	3.6
175.11205	3.5
177.12802	3.4
179.14311	1.4
183.13895	1.4
183.90527	1.5
184.07365	4.7
185.13248	1.8
187.13382	4.2
193.12376	2.2
195.13792	3.4
197.13329	2.3
215.28874	1.3
225.14914	2.0
229.14282	1.3
239.18010	1.6
243.15956	9.4
247.20509	2.7
251.16335	1.5
257.19290	2.5
267.15887	4.4
269.17459	13.1
275.20068	39.3
277.21820	1.3
293.21301	6.2
301.20001	23.7
349.23715	18.7
351.89734	1.3
367.24701	11.6
437.29004	2.6
499.34460	2.2
517.35272	44.4
518.35559	2.6
525.35809	2.5
531.36542	5.9
535.36108	9.2
543.36798	46.4
549.37665	2.5
553.28656	1.5
561.37836	32.8
575.39490	20.5
593.40710	12.6
607.59076	1.5
790.50726	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.1
55.05510	22.7
57.03440	7.2
57.07065	3.2
59.04982	2.4
61.02907	3.4
65.03923	2.5
67.05502	73.0
69.03426	7.0
69.07067	24.5
70.42468	0.8
71.04990	31.1
71.59148	1.5
73.02885	1.3
79.05490	41.3
81.03419	10.5
81.07053	100.0
82.07360	1.1
83.04980	9.7
83.08627	14.1
85.02923	4.5
85.03358	0.8
85.06538	8.8
91.05479	44.4
93.07040	40.4
95.04957	7.0
95.08604	23.7
97.02888	3.8
97.06527	13.2
97.09621	1.2
97.10174	12.4
99.04472	1.3
99.08068	2.7
103.05441	2.0
105.04463	0.9
105.07027	33.0
106.07391	0.9
107.04929	5.7
107.08590	36.6
109.02857	2.9
109.06485	4.7
109.10147	12.3
111.04451	1.1
111.08056	4.5
113.09647	0.9
115.05428	1.6
117.07021	12.2
119.08570	16.0
121.06496	3.7
121.10130	14.1
123.08048	2.9
123.11707	14.2
125.09634	13.7
127.03902	3.2
127.91792	0.8
129.05495	1.5
129.06970	2.9
131.08563	15.7
133.10123	29.7
135.08049	3.7
135.11679	10.1
137.09593	1.4
138.46613	0.9
139.11188	1.8
141.06956	1.8
143.08553	4.0
145.10107	11.7
147.08029	1.9
147.11665	8.4
149.09625	10.1
149.13248	8.7
151.11195	7.7
152.53749	0.9
155.08539	1.4
157.10109	2.5
159.11693	13.7
161.09592	1.8
161.13237	3.5
163.11189	6.5
165.09084	1.1
169.10100	2.2
169.12207	1.3
171.10287	1.1
171.11667	2.8
173.04384	1.3
173.09610	0.9
173.11876	1.0
173.13214	3.2
175.11133	1.7
175.14799	1.2
177.12709	5.3
179.14301	2.9
183.11633	2.5
183.13756	5.1
184.07326	3.8
185.13232	2.7
187.11710	1.1
187.13286	6.3
189.11201	5.9
189.12674	1.5
191.14252	1.3
195.12021	1.0
195.13757	4.6
197.13307	1.6
201.12704	1.0
201.14838	1.8
213.14702	1.2
215.17892	0.8
225.14819	3.1
227.12766	19.0
229.19412	1.8
239.17894	2.0
243.15884	3.5
247.20584	1.3
251.16460	0.9
255.15733	1.3
257.18973	3.7
267.15854	2.7
269.17426	13.7
273.02878	0.9
275.20071	24.7
293.21030	2.2
301.20038	20.0
313.16299	2.6
331.22546	1.6
349.23712	18.6
367.24753	2.6
423.27600	4.6
427.26974	6.8
435.31107	1.3
437.28970	12.6
445.29639	1.2
449.28943	9.6
451.30774	4.6
455.29797	1.2
463.30640	10.5
481.31723	2.8
495.33139	16.5
499.34451	4.4
508.78256	1.0
517.35217	48.4
518.35254	1.1
525.35883	2.5
531.36780	8.4
535.36163	1.5
543.36731	27.6
549.38049	1.5
557.29114	1.4
561.37671	1.5
575.39423	20.5
576.40173	1.1
581.32654	2.3
593.39813	2.8
607.34418	2.6
639.37286	1.2
732.35980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	11.4
55.05274	2.5
55.05513	36.7
57.03436	19.1
57.07060	3.1
59.04981	3.1
61.02911	4.1
65.03927	5.8
67.05504	90.1
69.03414	10.4
69.07068	33.5
71.04987	28.1
72.76657	2.5
79.05490	74.2
79.21543	3.0
81.03422	40.1
81.07057	100.0
83.04973	10.6
83.08623	27.3
83.29590	2.2
85.02885	9.5
85.06532	8.7
87.04444	2.1
91.03920	4.1
91.05477	79.3
93.07043	66.4
95.04961	27.0
95.08600	39.0
97.02883	5.8
97.06513	14.3
97.10162	20.9
98.20706	4.7
99.04460	3.3
99.08080	6.8
105.07029	63.8
107.04935	10.6
107.08591	39.9
109.02843	3.6
109.06506	7.8
109.10148	23.7
111.04439	4.5
111.08076	7.1
115.05429	3.6
117.07016	23.0
119.08575	51.4
121.06493	7.4
121.10133	28.5
123.08031	8.4
123.11682	9.9
125.09625	13.9
127.03947	3.5
129.07036	15.4
131.08554	38.7
133.06549	2.9
133.10124	43.0
135.08070	4.6
135.11667	13.6
137.09630	5.9
139.11150	2.7
141.06964	5.7
142.07755	2.9
143.08563	11.9
145.10118	27.3
147.08012	4.6
147.11668	27.1
149.09633	12.0
149.13245	10.1
151.11154	7.5
155.08556	5.2
157.10115	19.5
159.11714	19.2
161.13261	9.7
163.11154	8.7
163.14786	2.6
167.08562	3.0
169.10141	7.6
171.10335	3.5
171.11624	13.5
173.09529	4.2
173.11884	2.5
173.13210	13.1
175.11189	8.0
175.14803	2.9
179.14304	4.2
181.10135	5.1
183.11685	7.7
183.13814	4.0
184.07184	2.5
185.13232	9.1
187.13293	5.0
187.14835	4.5
189.11206	7.4
193.12248	7.6
195.11769	4.5
195.13702	3.0
197.13226	6.1
199.14781	6.0
209.13313	3.3
221.15366	3.3
227.12674	18.7
229.14304	7.0
237.16620	2.8
241.19377	5.3
257.19016	6.9
259.20590	13.2
267.15887	17.7
269.17392	8.9
275.20020	20.9
277.21555	3.2
283.20645	3.2
291.19543	8.8
293.21082	4.0
299.23633	5.6
301.20126	13.6
331.22684	3.3
333.24136	9.8
349.23929	14.9
365.23535	2.8
415.29593	2.7
421.25821	4.6
433.30905	11.2
435.27676	3.1
437.28726	7.7
451.31683	10.0
463.30637	4.4
469.32892	5.3
481.31677	3.3
485.31882	2.8
495.33243	5.8
499.33405	5.6
507.34106	3.7
517.28381	3.2
517.35309	33.9
519.32861	2.9
525.35748	37.3
535.36462	2.8
543.36798	85.5
544.36414	2.6
557.38049	6.8
575.39728	23.7
620.84760	3.0
624.95459	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	789.514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	28.7
55.05512	41.1
55.18104	4.5
56.05190	7.2
57.03437	8.4
57.07076	6.3
61.02917	10.6
62.23437	5.6
67.05175	7.9
67.05502	100.0
69.03431	11.5
69.07065	32.9
79.05492	80.3
81.03403	17.7
81.07053	95.0
83.04965	11.0
83.08609	14.3
85.02896	13.8
85.06528	7.3
91.05479	61.7
93.07039	76.2
95.04983	25.9
95.08607	73.3
97.02895	12.6
97.06520	44.4
97.10191	12.6
97.65571	5.6
105.07026	49.9
107.04935	19.7
107.08591	56.1
109.02897	7.0
109.06519	8.2
109.10117	26.8
111.08060	8.0
117.07006	15.4
119.08562	34.1
121.10138	39.1
123.11671	6.0
125.09634	11.9
127.03912	9.6
128.39684	4.7
129.07002	10.7
131.08575	21.0
133.10109	30.8
135.08069	9.3
135.11687	18.6
141.06966	6.7
143.08574	9.7
145.10139	21.5
147.08113	5.6
147.11656	17.8
149.09595	28.5
157.10120	9.1
159.11702	15.4
161.13316	11.0
163.11189	10.2
173.13277	12.0
184.07379	5.9
187.11238	6.0
189.11160	10.7
195.46535	6.2
195.54832	5.5
215.27626	5.7
224.51814	5.7
227.12772	9.5
229.19525	5.9
239.17918	7.7
247.20457	6.1
257.18930	13.7
261.22025	10.2
275.20032	60.0
293.21030	9.9
335.25784	92.2
349.23737	39.8
380.89236	5.9
505.35284	6.8
534.26855	6.5
556.37256	6.2
571.99756	6.5
609.44989	48.2
627.45782	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	789.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	30.5
55.05507	40.1
57.03418	14.2
57.07059	6.8
59.75399	3.7
61.02904	10.2
65.03934	6.5
67.05502	100.0
69.03411	14.3
69.07063	40.2
70.19907	15.2
71.04977	7.2
73.02882	6.1
76.93718	3.4
79.05066	5.8
79.05489	79.3
81.03400	13.6
81.07054	80.9
83.04958	9.9
83.08618	19.0
85.02924	7.7
85.06500	5.9
91.05466	62.1
93.06490	4.9
93.07043	82.3
94.57537	3.5
95.04974	20.8
95.08604	62.1
97.02872	9.9
97.06513	36.4
97.10146	16.7
103.05471	3.5
105.07029	56.1
107.04942	25.7
107.08592	57.6
109.06494	10.1
109.10160	27.6
111.08089	9.4
117.07026	21.2
119.08575	41.4
121.06473	6.3
121.10149	28.0
123.11684	10.6
125.09657	19.1
128.06204	5.4
129.06996	6.6
131.08562	28.8
133.10123	26.8
135.08046	5.0
135.11731	17.3
137.09595	6.8
141.06950	6.1
143.08527	9.7
145.06450	6.4
145.10129	23.8
147.11662	19.4
149.02325	3.2
149.09619	30.6
149.13240	8.8
151.11110	4.6
153.46805	4.0
155.08539	5.3
157.10109	9.7
159.11661	15.8
161.13254	11.7
163.11163	13.5
169.10083	6.6
171.11649	3.8
173.13216	10.8
175.14928	4.8
185.13330	4.4
187.11124	4.7
189.11214	15.1
227.12798	25.9
239.18121	3.6
257.18948	8.5
261.22064	9.7
265.18097	3.5
275.20071	66.5
293.21078	6.1
335.25806	83.7
349.23743	45.0
431.31955	6.9
472.72620	4.5
505.35083	11.6
513.39514	9.8
609.44897	52.7
619.85986	3.6
627.45776	17.5
789.49359	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	789.514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	35.1
55.05512	46.5
55.16592	4.6
57.03431	14.4
61.02919	18.8
61.90601	4.0
65.94663	4.2
67.05503	88.4
69.03418	9.5
69.07069	35.7
70.26326	20.4
73.02917	6.8
78.83961	4.1
79.05495	100.0
79.53415	4.6
80.64580	4.0
81.03441	8.1
81.07057	85.2
83.04986	7.5
83.08616	15.2
84.36195	3.9
85.02917	12.8
85.06571	4.7
86.29687	4.3
91.05476	83.6
91.06010	5.6
93.07049	74.0
94.64346	5.0
95.04970	17.7
95.08598	55.0
97.02917	12.6
97.06523	44.9
97.06970	4.2
97.10154	23.9
99.04445	6.3
105.07028	62.3
107.04978	20.7
107.08595	61.7
109.02831	5.8
109.06511	5.1
109.10139	25.5
111.08089	8.2
112.33785	4.3
115.05459	5.2
117.07019	16.5
119.08583	35.8
121.06545	4.8
121.10143	27.7
123.08051	6.8
123.11729	9.4
125.09647	14.1
127.03967	6.2
129.07039	9.1
131.08585	27.3
133.10135	28.3
135.11700	15.0
145.10121	19.0
147.11690	14.2
149.09618	29.6
159.11700	15.3
161.13266	14.7
163.11182	10.2
169.10225	7.3
173.13284	9.2
184.07365	8.6
184.43163	5.1
189.11240	13.6
227.12813	20.6
257.18997	8.8
261.22092	8.1
275.20032	43.4
335.25848	62.1
349.23630	28.7
363.30383	4.7
377.12927	4.9
505.34793	9.0
513.38721	6.5
549.39886	5.8
553.76807	5.1
609.45337	38.9
627.46216	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	787.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	19.1
55.05508	42.1
57.03435	15.2
57.07065	5.1
61.02924	20.6
65.03928	5.6
67.05505	68.6
67.75613	2.7
68.68456	2.0
69.03435	15.5
69.07066	32.6
70.26019	9.2
71.01372	2.5
71.04995	7.8
73.02926	9.9
79.05492	53.4
81.03411	10.5
81.07053	60.8
83.04990	6.6
83.08617	18.3
85.02882	15.6
85.06576	5.6
91.03967	7.2
91.05479	48.8
93.07048	46.2
95.04944	12.3
95.08614	39.7
97.02893	12.8
97.06522	22.8
97.10154	15.3
98.20810	2.9
99.04507	2.4
99.08086	3.0
101.02382	2.8
103.05457	2.2
105.07026	50.1
105.07681	3.7
107.04961	6.6
107.08595	39.5
109.02866	3.4
109.06522	5.0
109.10148	22.4
111.04427	2.3
111.08105	5.8
115.03919	2.2
115.05476	4.3
117.07020	27.6
118.24196	1.9
119.04961	2.5
119.08593	39.0
121.06466	2.7
121.10150	20.5
123.08079	5.5
123.11715	6.9
124.72075	2.2
125.09648	10.2
126.79721	2.3
127.03947	4.6
128.06245	7.2
129.06984	24.8
130.07764	2.6
131.08560	32.1
133.06500	4.3
133.10121	30.7
135.08060	3.8
135.11702	9.6
137.09604	3.7
139.11179	2.6
141.06985	7.9
142.07785	3.2
143.08562	26.4
143.24387	2.1
145.06502	4.1
145.10107	24.5
147.08086	5.2
147.11673	15.3
148.20401	2.2
148.36752	2.1
149.09662	10.2
149.13303	2.8
153.07091	2.4
154.07811	3.7
155.08548	16.3
156.09360	2.8
157.10123	21.9
159.11684	20.9
161.09558	3.6
161.13277	10.4
163.11179	6.9
167.08620	6.8
169.10130	19.9
171.11681	21.9
173.09613	3.7
173.11905	2.8
173.13295	8.3
175.11192	3.3
175.14879	4.7
177.12746	2.6
179.08548	3.2
181.10094	12.7
183.10204	3.0
183.11668	17.5
185.09644	2.2
185.13268	15.5
187.13364	2.3
187.14850	7.0
189.11252	5.1
193.10228	5.3
195.11728	6.0
197.13257	14.3
199.14789	10.0
201.16510	3.9
207.11798	4.8
209.13257	10.5
211.11308	2.9
211.14746	10.7
213.16478	6.2
215.18001	3.4
219.11754	3.5
221.13136	4.1
223.14886	8.3
225.16414	3.9
227.12776	7.0
227.18057	3.0
229.14290	4.0
235.14755	4.9
237.16469	6.5
239.18039	4.2
241.19518	5.3
245.63243	2.3
257.18994	4.8
259.20593	6.5
268.67172	2.3
273.18674	4.3
275.20328	12.7
333.24225	6.6
349.23868	9.6
359.59628	2.3
363.26907	2.6
365.28461	4.3
381.31445	2.4
394.14059	2.2
421.31033	5.3
439.32172	3.4
497.62726	2.6
499.34613	2.7
513.35834	32.6
514.36139	2.7
515.38110	6.8
533.39728	6.6
561.06622	2.3
564.91858	2.3
597.45032	2.6
607.43561	41.4
608.44623	2.9
609.61292	2.3
625.44629	100.0
626.44141	3.6
645.46667	2.4
769.48260	4.3
787.49799	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	787.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	20.1
55.05511	61.6
57.03431	15.4
57.07065	16.4
61.02906	14.5
61.10191	4.3
65.03951	7.0
67.05507	97.7
69.03426	27.3
69.07067	46.4
69.34736	13.3
69.35147	35.4
71.04974	5.6
73.02901	13.6
79.05490	82.1
81.03423	27.4
81.07054	100.0
83.04977	16.9
83.08610	27.9
85.02902	28.1
85.06550	5.4
87.04448	6.1
89.06019	10.8
89.46156	4.5
91.03947	8.8
91.05487	92.6
93.07040	82.5
93.84933	4.5
95.04955	21.8
95.08608	76.0
97.02900	27.6
97.06520	33.1
97.10157	20.0
99.04475	14.3
105.07043	70.0
107.04950	13.8
107.08591	56.3
109.02822	5.6
109.06506	15.1
109.10165	34.9
111.04436	6.0
111.08041	6.4
115.05457	7.1
117.07031	30.0
119.08577	61.2
121.06506	10.4
121.10155	29.9
123.08053	12.9
123.11686	9.9
125.09631	14.8
127.03904	19.0
128.06229	15.4
129.07016	32.6
131.08549	56.6
133.06561	6.0
133.10155	38.9
135.08037	5.0
135.11699	13.1
137.09602	6.0
141.06975	13.2
142.07751	11.5
143.08582	35.3
145.06485	5.4
145.10110	44.7
147.11702	27.2
149.09581	8.2
149.13269	8.1
151.11102	5.4
155.08522	24.9
156.63814	4.5
157.10123	43.0
159.11687	38.3
161.13264	11.5
163.11130	7.4
167.08546	10.4
169.10123	34.8
171.11705	32.4
173.13264	20.5
177.12784	5.9
179.08536	9.3
181.10094	14.9
183.08076	4.8
183.11671	29.1
184.07349	10.0
185.13266	21.9
187.14844	11.3
189.11221	11.8
191.10663	4.9
193.10065	7.1
195.11697	17.5
196.12514	5.2
197.13254	26.3
199.14867	13.3
207.11726	6.0
209.13286	18.3
211.14816	19.3
221.13286	6.1
223.14830	13.2
225.16365	7.0
227.20076	50.5
228.20465	30.4
233.13190	5.8
235.14859	7.8
237.16289	9.2
257.19055	6.6
259.20538	13.1
273.18613	5.4
275.20081	16.6
277.21909	5.1
332.84616	5.3
333.24194	9.0
349.23672	8.7
421.31039	8.1
457.33047	7.1
513.35767	41.3
533.39728	9.1
551.40894	6.9
607.43640	42.9
625.44556	93.5
626.44849	9.8
675.40851	6.5
769.48895	25.0
787.50409	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	19.5
55.05511	40.4
57.03434	16.0
57.07060	3.5
59.04987	2.9
61.02925	16.8
62.75351	2.2
65.03922	6.1
67.05503	79.5
69.03432	16.8
69.07067	37.0
69.82271	14.2
71.04979	9.7
72.42501	1.9
73.02921	10.1
79.05496	62.8
80.76051	1.9
81.03413	28.2
81.07054	76.8
83.04991	13.2
83.08613	19.7
85.02912	18.9
85.06527	4.6
91.03948	5.8
91.05476	65.7
92.05818	2.5
93.07040	64.7
95.04974	15.8
95.08604	53.3
97.02892	18.1
97.06521	21.5
97.10165	13.1
99.04434	4.2
99.08093	4.4
105.07027	50.8
106.07391	2.2
107.04942	7.8
107.08598	44.7
109.02876	5.0
109.06490	10.5
109.10137	26.2
111.04410	2.4
111.08061	6.4
115.05428	5.7
117.06998	25.0
119.08575	45.0
121.06492	8.2
121.10146	30.2
123.08035	5.7
123.11650	10.7
125.09616	13.3
127.03907	6.9
127.33896	2.3
128.06226	6.7
129.05511	3.3
129.06996	25.7
130.07793	4.3
131.08559	42.7
133.06483	4.1
133.10143	30.3
135.08043	7.6
135.11679	11.7
137.09613	3.3
141.07031	10.9
142.07756	7.0
143.08545	29.3
145.06438	2.9
145.10121	33.6
147.08110	3.5
147.11684	24.2
149.09599	8.9
149.13232	9.1
151.11118	2.8
153.06967	2.4
155.08540	17.7
156.09325	3.2
157.10101	24.5
159.11710	22.5
161.09653	5.5
161.13258	11.4
163.11220	6.1
165.07008	3.2
167.08583	6.5
169.10117	17.6
171.11678	26.9
173.04439	9.5
173.11858	3.8
173.13220	14.7
175.11148	3.8
175.14842	6.1
177.12701	4.2
179.08519	5.8
181.10205	11.1
181.11749	2.5
182.10847	2.8
183.11687	18.8
185.13225	19.7
187.11189	5.2
187.14845	5.3
189.11237	5.3
189.12839	3.0
189.16435	2.5
191.14302	3.4
193.10106	3.6
195.11658	9.9
195.13779	2.2
197.13240	16.1
199.14763	13.8
201.12610	2.7
207.11789	4.2
209.13254	12.6
211.14819	11.7
213.16393	8.0
215.18028	2.9
221.13365	5.4
223.14854	8.7
225.12737	3.2
225.16417	9.8
227.12805	4.9
227.18037	5.9
229.14224	3.8
235.14833	4.3
237.16273	2.5
239.18034	4.0
241.19511	6.7
243.15796	4.3
257.18967	7.5
259.20490	12.1
273.18588	2.5
275.20114	19.1
276.20468	2.2
277.21539	2.8
283.20413	2.3
291.19461	3.0
293.21344	2.7
295.20575	2.4
301.21680	2.8
313.21661	2.9
333.24237	9.7
335.26077	3.8
349.23962	11.5
365.24158	2.6
365.28497	4.0
383.29404	3.6
421.30942	5.9
435.32742	3.1
439.32394	3.9
495.34808	2.5
513.35834	27.0
515.38159	9.0
527.37311	6.6
533.39764	7.8
551.40338	3.2
555.36395	2.6
597.45660	2.3
607.43542	42.6
609.44098	2.7
625.44598	100.0
626.45032	7.2
689.42664	4.2
751.46527	3.6
769.48633	4.9
787.49817	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	787.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	16.4
55.05511	51.6
57.03419	13.0
57.07056	3.7
58.42297	2.8
59.04997	2.5
61.02918	18.2
62.29585	3.0
63.65672	2.8
65.03928	4.2
67.05502	91.9
67.84970	2.6
69.03433	22.5
69.07066	42.6
69.87514	17.9
71.04994	15.1
73.02903	10.1
77.03910	4.0
79.05059	5.4
79.05491	65.7
81.03425	25.0
81.07053	84.9
83.04984	15.6
83.08622	23.5
85.02901	20.5
85.06568	3.4
91.03952	8.2
91.05476	80.5
93.07041	68.0
95.04967	21.4
95.08605	51.7
97.02882	17.9
97.06522	28.6
97.10170	18.5
98.21429	4.2
99.04458	3.7
99.08070	4.5
103.05457	3.1
105.06387	5.4
105.07031	63.6
107.04944	11.3
107.08599	46.4
109.02869	5.9
109.06507	12.5
109.10144	30.3
111.04452	3.7
111.08089	7.5
115.03909	3.6
115.05444	4.5
117.07034	24.0
118.98679	3.2
119.04990	3.4
119.08577	42.4
121.06482	6.1
121.10129	29.1
123.04459	3.4
123.08087	8.0
123.11684	11.3
123.85925	2.9
124.85445	2.5
125.09626	13.1
127.03918	5.3
128.06219	7.4
129.07004	25.1
130.07806	2.9
131.08563	45.5
133.06496	6.4
133.10132	37.0
135.04419	2.8
135.08028	9.8
135.11690	12.2
137.09639	5.8
141.07005	12.2
142.07764	5.7
143.08517	25.5
145.04895	2.9
145.06523	3.2
145.10098	32.1
147.08043	7.8
147.11685	17.8
149.09561	15.8
149.13220	7.7
151.11182	4.9
154.07680	3.3
155.08540	19.3
157.06453	3.7
157.10118	29.9
159.11665	26.1
161.09601	3.9
161.13222	15.0
163.11176	7.0
165.06873	3.5
167.08577	8.4
167.42726	2.6
169.10098	23.7
171.08018	4.6
171.11681	20.5
173.13196	14.4
175.14862	5.4
177.12781	5.1
179.08517	4.4
181.10115	10.9
183.11708	19.1
184.07338	7.0
185.09659	2.8
185.13182	17.1
187.11194	3.6
187.14838	5.8
189.11221	5.3
189.12798	4.8
193.10088	8.2
195.11674	12.1
195.13435	2.7
197.13266	15.7
199.14795	9.3
201.16402	5.9
207.11714	4.4
209.13272	12.6
211.14819	9.9
213.16354	7.9
219.11787	3.1
221.13312	5.7
222.17911	3.3
223.13098	6.3
223.14964	6.6
225.16409	5.8
227.10745	2.8
227.12787	10.3
235.14757	7.4
237.16408	6.2
239.18086	7.2
241.19624	3.0
243.15863	4.4
249.16389	3.6
255.17479	3.1
257.19022	5.3
259.20612	11.8
265.19489	3.7
273.18466	7.4
275.20059	23.3
291.19498	18.7
313.21292	3.9
321.22144	4.7
333.24365	5.5
339.23401	4.5
349.23911	7.2
365.23624	4.5
365.28394	6.3
403.29465	3.5
421.31015	5.3
513.35760	40.0
515.38837	5.8
527.37018	4.6
533.34174	21.1
559.36096	9.9
591.39313	7.1
607.43256	40.7
625.44543	100.0
626.44501	7.7
637.43774	3.5
733.47198	4.0
751.47308	4.2
758.59827	3.4
769.47522	6.8
787.49951	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	787.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.05514	11.8
57.03428	4.3
61.02903	2.6
65.91512	1.9
67.05503	28.0
69.03411	6.4
69.07056	8.1
69.52043	6.2
69.52466	11.0
70.54814	1.9
71.04971	6.1
74.22089	2.1
78.12997	2.6
79.05495	23.4
81.03408	4.3
81.07060	29.9
83.04972	8.0
83.08595	5.6
85.02888	6.8
91.05484	29.1
93.07041	32.3
95.04980	5.2
95.08593	19.0
97.02881	3.8
97.06519	4.3
97.10165	2.8
97.77919	1.9
102.91533	2.2
103.05507	2.8
105.07016	26.1
107.04944	4.1
107.08591	13.2
109.06515	7.0
109.10141	7.3
111.04414	4.6
115.05384	2.2
117.07021	11.7
119.08569	26.3
121.06512	5.3
121.10148	16.2
127.03924	2.7
129.07014	9.9
131.08551	27.8
133.10138	10.6
135.08008	2.9
135.11685	2.1
137.09630	2.4
141.06992	3.7
143.08546	10.9
145.06526	2.5
145.10098	13.9
147.08032	5.8
147.11665	4.1
149.09622	5.9
155.08543	6.3
157.10091	6.8
159.11682	6.0
161.09615	2.5
161.13272	2.0
163.11133	3.3
165.09111	4.1
169.10118	4.6
171.11650	4.3
173.13213	4.6
183.11560	2.7
185.13217	3.8
187.97803	2.0
189.12662	3.2
195.11736	3.3
197.13281	3.7
207.11595	2.0
275.19986	3.5
335.23544	2.3
343.26154	4.2
353.24634	11.3
371.25687	14.0
389.26892	16.8
402.01984	2.2
445.29480	100.0
446.30078	2.5
463.30508	68.3
530.04401	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	787.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.5
55.05514	10.9
56.98402	1.4
57.03420	5.1
57.06241	1.8
64.81129	1.8
67.05510	20.2
69.03414	3.3
69.07065	7.5
69.89835	7.7
70.06599	2.3
71.04982	4.6
73.02924	3.3
78.50604	1.5
79.05495	18.1
80.20976	1.6
81.03396	4.6
81.07050	23.0
83.04977	4.7
83.08619	5.3
85.02899	8.7
85.06537	1.8
91.03902	1.9
91.05475	22.7
93.07044	25.7
95.04960	6.4
95.08601	17.7
96.58865	1.9
97.02883	5.0
97.06516	4.6
97.10154	2.3
99.91795	1.5
105.07029	21.4
107.04947	5.0
107.08585	11.5
109.06506	2.7
109.10161	7.9
111.04415	2.1
113.39234	1.7
114.92725	1.6
117.07018	11.6
119.08578	17.3
120.99413	1.9
121.06527	2.6
121.10132	10.2
123.08109	3.5
123.11714	2.0
127.03865	2.1
129.07008	10.0
131.08565	16.4
133.10124	11.5
135.08017	3.1
135.11734	3.9
143.08533	10.3
145.06544	1.7
145.10117	11.3
147.08044	2.7
147.11729	3.7
149.09633	4.0
155.08553	3.6
157.10126	7.0
159.08009	1.8
159.11729	8.5
161.09567	2.0
163.11195	2.7
164.11423	1.6
164.17653	1.7
167.08543	2.1
169.10147	3.9
171.11671	4.5
173.11894	1.8
173.13240	3.0
175.11238	1.9
183.11674	2.7
184.07327	2.3
185.13229	2.8
190.14090	1.6
191.30487	2.1
195.11746	1.9
197.13266	2.6
199.14853	2.2
209.13399	1.7
211.14870	2.7
241.71877	1.7
267.15881	1.9
335.23657	1.7
353.24707	7.5
371.25696	7.6
389.26932	8.4
427.28067	2.4
445.29489	100.0
463.30496	24.5
607.43652	3.9
625.44440	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	787.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.4
59.29682	0.3
63.02369	0.4
69.03432	0.8
71.04993	7.4
81.03416	2.9
85.02429	0.5
85.02905	7.5
89.03915	5.0
91.05490	0.5
93.07050	0.4
103.05450	0.5
104.04275	0.4
106.04117	0.4
109.02863	1.2
117.03377	13.6
121.02849	0.7
127.03912	1.3
127.31490	0.4
129.05463	1.3
134.03606	1.1
135.04395	1.1
137.02335	4.4
145.02846	37.6
146.03233	0.4
147.04387	0.6
149.05978	5.1
153.01851	1.1
163.03831	0.8
165.01808	0.7
177.05467	100.0
178.05830	1.3
186.05498	1.3
195.06541	1.6
201.05534	0.5
207.06572	0.5
229.04927	1.6
257.04504	1.0
285.04129	0.5
287.05252	0.4
303.04990	41.6
304.05173	0.8
315.04965	0.9
321.09674	6.8
338.72543	0.4
339.10757	6.5
345.06116	2.1
413.08429	0.7
431.09717	0.8
449.10947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	17.9
55.05513	59.1
56.72915	3.3
57.03435	10.1
59.05006	4.3
60.39618	3.4
61.02921	14.1
65.03928	7.1
67.05505	91.8
69.03424	26.1
69.07069	33.4
71.04985	6.2
73.02919	8.6
79.05494	77.0
81.03421	30.8
81.07053	77.3
83.04961	9.8
83.08630	24.2
83.09045	3.7
85.02913	21.9
91.05485	68.3
92.05785	3.8
93.07039	64.8
95.04973	25.7
95.08605	49.7
97.02906	20.2
97.06521	13.3
97.10178	44.0
99.04445	7.0
103.05490	5.5
105.07042	55.8
107.04955	13.4
107.08588	52.3
109.02889	9.7
109.06508	11.6
109.10154	25.7
111.04419	6.7
111.08068	9.1
115.05476	6.4
117.07021	32.0
119.08579	48.7
121.06557	5.0
121.10157	20.1
123.08059	8.8
123.11742	4.8
125.09620	27.4
127.03924	10.0
128.06238	11.0
129.07014	36.5
131.04883	3.9
131.08572	45.2
133.06535	6.2
133.10138	30.9
135.08035	10.6
135.11699	13.4
137.09615	5.7
141.07004	12.3
142.07776	6.1
143.08551	37.0
145.06499	6.9
145.10136	37.7
147.08012	6.7
147.11679	14.6
149.09633	4.5
155.08543	24.2
157.10144	26.9
159.08073	10.4
159.11711	15.9
161.13225	7.4
165.07036	5.6
166.07713	4.0
167.08574	13.3
169.10129	31.7
171.08052	5.2
171.11662	25.7
173.04477	7.5
173.09575	6.3
173.13263	15.4
175.11218	8.7
175.14838	5.4
178.07849	6.3
179.08586	9.3
180.09393	4.5
181.10112	12.9
183.11671	21.2
184.07387	5.0
185.13222	18.4
187.14922	6.5
189.11258	14.5
189.12909	4.4
193.10147	10.2
194.87181	3.9
195.11714	14.2
197.13260	16.4
198.19917	3.8
199.11147	5.2
199.14827	7.3
205.10144	4.2
207.09929	4.3
207.11726	6.4
209.09662	4.4
209.13257	7.3
211.11388	3.9
211.14877	12.9
213.16301	5.4
217.12296	5.3
217.15915	3.6
221.13335	8.3
223.14868	7.9
227.12708	18.3
229.09805	3.9
235.14839	5.4
237.16228	6.6
241.19534	4.6
245.13698	5.3
251.17969	4.0
257.18869	5.4
259.20493	6.4
265.16129	3.6
265.19800	4.3
273.18735	3.9
275.20117	8.6
291.19440	28.0
309.22202	5.7
333.24301	5.5
367.22717	7.0
379.29929	14.7
513.36945	11.4
526.83423	4.6
531.38416	8.6
549.39032	6.3
569.37061	4.2
605.41736	30.0
623.33258	6.4
623.43030	100.0
624.43420	4.2
731.44446	7.1
749.45508	6.7
767.46808	8.1
785.48431	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.1
55.05510	12.2
57.03434	6.4
61.02926	27.0
63.82966	1.0
64.46042	0.9
65.03932	1.8
67.05502	25.1
69.03427	8.2
69.07069	10.2
71.04994	3.2
73.02891	6.2
79.05492	20.7
81.03423	5.9
81.07058	25.3
83.04980	4.4
83.08614	8.8
84.04495	1.7
84.64976	1.1
85.02902	29.7
85.06544	2.1
91.03952	14.2
91.04474	1.5
91.05476	31.0
93.07043	20.6
95.04967	5.3
95.08611	14.4
97.02891	17.5
97.06551	3.6
97.10161	2.5
99.04482	1.9
103.05436	1.6
105.07028	21.5
107.04966	4.3
107.08601	10.0
109.02829	1.4
109.06516	4.2
109.10162	6.1
111.04411	1.5
111.08096	3.1
115.03925	2.1
115.05466	2.8
117.07015	20.6
119.04940	1.3
119.08571	16.3
120.04440	1.9
121.06531	5.1
121.10153	6.6
123.08067	2.5
125.09626	2.2
126.05486	1.1
127.03890	5.6
128.06206	5.7
129.06999	24.7
129.07903	1.5
131.04956	1.5
131.08556	25.7
133.06458	4.8
133.10114	7.4
135.08049	3.9
135.11673	2.9
137.09625	2.6
138.05502	1.6
139.11234	1.8
141.06996	10.2
142.07799	3.0
143.08563	19.6
145.04955	5.5
145.06477	5.3
145.10117	13.8
147.08041	5.1
147.11719	4.0
149.09587	5.1
149.13322	1.2
151.11191	1.1
153.07002	2.1
154.07733	3.0
155.08525	15.9
157.06470	2.7
157.10120	12.6
159.08052	5.5
159.11690	9.5
161.09561	1.5
161.13290	2.4
162.07571	1.5
163.06044	3.3
163.11180	2.0
165.06963	2.7
166.07799	2.2
167.08582	7.3
169.10141	12.8
171.08038	1.9
171.11668	7.3
173.09747	2.4
173.13278	2.3
175.11238	2.8
177.12749	3.1
179.08553	5.9
180.09360	1.3
181.10103	10.0
181.94534	1.1
182.10913	1.5
183.08115	1.7
183.11746	6.4
185.09616	1.4
185.13310	6.4
187.11191	2.4
187.14816	1.6
189.12665	1.2
191.08640	1.1
193.10132	3.8
195.11711	10.0
197.13312	5.4
199.11235	2.3
199.14847	2.4
201.12712	1.9
203.10565	1.2
203.14336	1.6
204.08727	1.3
205.10173	1.6
207.11725	3.2
209.13266	4.1
211.11279	2.4
211.14861	4.3
213.12770	1.8
215.14366	4.4
219.11662	1.8
221.13336	5.9
223.14944	4.7
225.12735	2.5
227.14297	1.9
229.15874	1.3
229.51669	1.3
231.13972	1.3
231.17255	1.0
233.13249	1.9
233.15413	1.5
235.14856	3.5
237.16339	1.4
239.14365	2.7
239.18015	1.4
241.12169	1.3
241.15866	3.1
247.14731	1.6
249.16533	2.5
251.14522	1.2
253.15881	2.2
256.48584	1.1
257.15405	4.5
259.16968	1.8
271.16986	3.8
291.17645	1.2
296.71713	1.0
310.34381	1.2
315.21042	2.5
319.85086	1.0
323.23724	4.4
333.22122	12.1
341.24820	4.7
351.23163	35.3
369.24240	25.1
387.25327	13.3
415.28558	1.3
425.26654	7.5
427.66547	1.1
433.29413	1.4
443.27902	100.0
444.28296	2.1
461.28986	55.1
462.29160	1.3
522.65619	1.1
566.85895	1.2
587.32538	1.4
605.33069	3.7
623.34033	1.9
695.36340	1.1
805.56647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.6
55.05509	9.7
55.25875	0.8
57.03442	4.9
59.08403	0.9
61.02924	24.6
65.03944	1.9
66.42802	1.1
67.05177	1.8
67.05503	23.7
69.03422	6.7
69.07069	9.3
69.50938	8.0
71.04977	3.4
73.02915	7.0
79.05490	21.8
81.03415	4.3
81.07054	26.1
82.47277	1.0
83.04976	4.1
83.08616	7.3
85.02429	1.8
85.02905	24.3
85.06528	2.6
91.03957	15.2
91.05476	31.0
93.06474	1.8
93.07035	21.8
95.04957	6.0
95.08598	13.3
97.02877	17.4
97.06520	4.0
97.10152	3.3
98.20693	1.8
99.04476	1.0
103.05470	1.4
105.07030	23.7
107.04942	3.3
107.08585	10.0
109.02863	1.7
109.06522	4.6
109.10147	5.9
111.08071	2.6
115.03896	1.1
115.05452	2.8
117.07006	20.1
117.15926	0.9
119.04927	1.7
119.08572	12.2
121.06497	4.4
121.10123	6.8
123.08031	1.4
125.09613	1.2
127.03933	4.6
128.06227	6.0
129.05495	1.3
129.07004	23.5
131.08566	25.2
133.06517	4.9
133.10129	9.7
135.08031	3.6
135.11673	3.7
137.09579	1.3
141.06970	10.1
142.07779	2.5
143.08554	18.2
145.04950	4.1
145.06487	6.3
145.10118	13.6
147.08084	4.6
147.11768	2.0
149.09602	3.5
151.11215	1.5
153.06918	2.6
155.08557	13.5
156.09216	1.2
157.06407	2.3
157.10114	11.5
159.08069	4.4
159.11673	9.5
161.09584	2.4
161.13264	1.2
163.05965	2.1
163.11122	2.7
165.06975	2.9
166.07668	1.3
167.08568	7.9
169.10139	10.4
171.08032	3.4
171.11668	6.9
173.09608	2.8
173.13237	2.8
175.11140	3.0
177.12764	3.3
178.07832	2.1
179.08553	2.9
181.10089	9.5
183.07951	1.5
183.11711	6.8
185.09473	2.1
185.13231	5.1
187.11200	2.1
187.14877	2.4
189.12680	1.3
193.10141	4.9
195.11725	7.4
197.09613	1.8
197.13254	4.8
199.11247	2.1
199.14828	1.8
201.12738	2.1
203.14316	1.6
207.11671	3.7
209.13269	4.7
211.11142	1.8
211.14809	3.4
213.12732	2.1
213.16379	1.6
215.14265	3.4
221.13255	5.5
221.15108	1.1
223.14832	4.7
225.12691	2.9
225.16319	1.9
227.14304	1.6
231.17410	1.4
233.13217	1.1
235.14775	3.3
239.14355	5.1
241.16020	1.3
243.13773	2.0
249.16330	1.5
253.15768	2.5
257.15286	2.3
257.18970	1.3
259.17044	1.5
271.16983	4.1
285.18610	1.6
305.22598	2.0
323.19916	1.0
323.23456	4.7
333.22107	8.5
341.24774	4.5
351.23169	30.0
369.24240	21.8
370.24667	1.7
387.25320	13.1
395.25784	1.0
412.43414	1.2
425.26852	5.6
433.29492	1.6
443.27914	100.0
444.28088	2.8
461.28967	53.0
462.29227	2.3
485.28967	2.2
503.29944	1.4
569.31024	2.2
605.32452	2.3
623.34082	2.1
651.11621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.6
55.05507	11.2
57.03434	15.7
57.07075	18.4
63.28597	1.9
64.69762	1.9
65.03929	3.9
67.05183	4.9
67.05508	47.0
69.07059	9.9
69.68417	14.9
71.04988	3.3
71.08632	12.7
79.05501	25.8
79.47134	1.9
81.03414	4.5
81.06586	3.0
81.07058	31.6
83.04964	4.2
83.08613	8.9
85.06534	9.9
85.10176	8.2
86.09685	2.3
91.05487	19.1
93.07028	18.0
95.04966	45.8
95.08606	20.3
97.06522	4.5
97.10151	7.1
104.10728	2.1
105.07038	16.3
107.04962	9.8
107.08579	10.9
109.06523	60.8
109.07268	4.6
109.10153	6.7
111.08113	2.7
113.06018	24.0
117.07026	7.8
119.08580	10.5
121.06526	4.6
121.10145	5.6
123.08064	2.6
123.31263	2.2
125.00085	2.5
129.07028	6.4
131.08565	13.5
133.06506	4.6
133.10118	4.6
135.08046	31.4
135.11667	5.3
143.08563	7.8
145.10132	7.9
147.08028	8.4
149.09674	2.9
149.13214	3.0
157.10149	5.2
159.08090	2.4
159.11685	3.7
161.09608	6.6
184.07353	9.0
189.02673	2.2
195.11588	2.5
199.14868	3.2
217.15851	11.0
226.64067	2.3
233.15562	2.2
239.23367	2.0
245.19087	3.0
255.17368	3.1
273.18524	39.0
291.19553	100.0
295.40887	2.2
313.27353	43.7
347.22235	6.8
365.23227	14.1
585.44928	10.3
591.84399	2.3
603.46179	61.1
767.56726	2.3
783.48926	11.4
791.40546	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	780.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
57.03424	0.3
60.04508	0.2
61.02910	0.3
65.41020	0.1
67.05486	0.6
69.03423	0.5
69.07063	0.3
70.06595	1.2
71.04969	0.2
71.58241	0.2
72.04505	0.4
72.08142	0.2
73.02914	0.3
75.04446	0.2
77.03913	0.2
78.04704	1.3
79.05491	1.7
81.03407	0.6
81.07043	0.7
83.04990	0.2
84.04485	0.7
84.08128	0.7
85.02895	1.0
86.06049	0.2
86.09687	0.5
89.03899	0.2
91.05482	1.6
93.03383	0.1
93.07053	1.4
95.04976	0.8
95.08629	0.2
96.04480	0.2
97.02880	0.9
97.06525	0.2
98.06020	0.2
99.04432	0.2
101.18380	0.1
103.05452	0.5
105.07013	1.1
106.04172	0.8
106.04785	0.1
107.04956	1.3
107.08608	0.3
109.02824	0.2
109.06510	0.1
109.10168	0.2
110.07153	0.2
111.04423	0.3
115.03934	0.2
115.05428	0.3
117.03340	0.2
117.06999	0.2
119.04918	0.4
119.08552	0.6
120.08104	0.3
121.02834	0.2
121.06513	0.6
121.10136	0.7
122.03664	0.2
123.04428	4.1
124.05238	1.6
125.06011	0.2
125.31310	0.2
126.05523	0.3
127.03934	0.4
129.07028	0.9
129.10233	0.2
131.04944	0.5
131.08556	1.0
133.06496	0.9
133.10139	0.4
134.03665	0.4
135.04376	0.3
135.08064	0.2
135.11761	0.2
136.06192	0.6
137.02287	0.2
137.05940	1.4
139.03867	0.2
141.06975	0.7
143.04872	0.2
143.06055	0.2
143.08537	0.2
145.02826	0.3
145.04907	0.2
145.06453	0.3
145.10098	0.2
147.04369	0.8
147.07973	0.3
147.11691	0.2
149.05975	1.0
149.09619	0.4
151.03894	0.9
151.07504	0.2
152.04662	1.5
157.06525	0.8
158.07281	0.4
159.08058	1.0
161.05946	0.9
161.09572	0.2
162.07628	3.7
163.03880	0.2
163.07573	0.4
165.05534	0.2
165.09035	0.2
166.06339	0.3
167.07034	100.0
168.07372	3.1
169.06354	0.3
169.07617	0.3
174.06770	1.7
175.07562	0.5
177.05495	0.8
178.05962	0.2
179.07054	0.4
180.08734	0.2
181.08588	1.2
186.06815	0.4
187.07567	0.6
188.08218	0.2
189.09108	4.3
191.07031	0.4
191.10701	0.3
193.08611	4.4
194.08905	0.1
201.09091	1.3
205.08609	0.2
207.06496	0.3
207.10165	0.2
209.08081	0.2
211.09653	7.1
212.10013	0.2
219.10156	17.3
220.10580	0.4
294.11813	0.5
308.13202	0.3
355.15381	0.2
420.12134	0.2
698.41510	0.2
767.02771	0.2
780.43750	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	779.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54410	0.9
55.05511	1.5
57.03448	2.3
60.20551	1.0
61.02926	4.7
64.78017	0.8
65.34435	0.9
67.05508	4.3
69.03432	3.4
69.07072	1.8
69.44706	6.4
69.45122	2.2
69.98544	1.0
71.05001	1.9
73.02923	3.3
73.23609	0.8
79.05506	3.5
81.03410	2.8
81.07046	5.4
83.04931	1.0
83.08625	1.0
85.02892	5.1
85.67972	1.0
86.09720	3.1
91.03961	3.3
91.05502	2.9
93.07051	5.0
95.05000	1.0
95.08614	4.3
97.02908	4.4
98.21435	1.8
99.04462	1.6
101.02399	1.7
103.10152	0.9
105.07043	2.6
107.08610	3.2
109.02878	1.6
109.10126	1.0
119.08575	1.5
121.10139	2.0
125.00037	2.1
131.08620	1.6
133.10269	1.0
135.11726	1.2
137.80341	0.9
147.11707	1.5
157.10254	1.3
184.07368	9.0
185.07756	1.3
243.08257	1.7
283.15128	4.5
381.59000	1.0
501.23001	6.6
519.29303	7.5
531.45404	1.0
779.45483	100.0
780.45667	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	778.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05507	1.6
57.03426	2.0
60.05635	0.5
60.61837	0.4
61.02922	12.7
62.18855	0.4
65.03931	1.0
67.05503	10.5
69.03431	4.4
69.07057	1.7
70.06585	1.4
71.01347	0.9
71.04991	7.2
72.08152	0.8
73.02916	4.8
78.68973	0.5
79.05481	4.7
81.03411	2.1
81.06580	0.8
81.07055	12.0
83.04984	0.6
83.08611	2.3
83.16522	0.4
84.08131	1.0
85.02428	0.9
85.02900	11.7
85.06530	1.4
86.09692	1.1
91.03946	6.4
91.05468	5.0
93.07038	9.8
94.04049	0.5
95.04939	2.0
95.08599	3.1
97.02882	10.0
97.06519	4.2
99.04420	1.0
99.08075	0.7
101.02391	1.1
103.03911	0.7
103.05461	0.6
105.07008	1.7
107.04951	0.5
107.08588	5.4
109.02888	0.9
109.06536	1.0
111.08075	2.2
114.10303	0.5
115.03918	0.9
117.03338	0.6
117.07005	2.9
119.03598	0.8
119.04942	1.9
119.08545	0.9
121.06458	0.6
121.10115	2.8
127.03926	2.7
129.10208	0.6
131.08565	2.9
133.10075	2.4
135.11676	2.7
136.06181	100.0
137.04573	2.0
137.06529	1.0
143.77345	0.4
145.02850	2.0
145.04944	1.2
147.04407	9.6
147.11624	0.6
148.04784	2.3
148.05914	0.5
149.13255	9.2
159.11702	6.3
162.07709	0.8
163.07474	0.4
167.06982	0.5
177.05458	3.1
177.12727	3.4
178.05811	1.0
178.07256	1.3
181.04935	0.5
195.13814	3.5
209.15480	1.2
213.14902	0.7
214.07208	0.6
217.13394	0.5
219.93410	0.5
229.25217	0.5
258.14319	0.5
269.17471	25.0
270.17822	0.7
286.16580	0.8
303.05090	0.6
330.19229	8.9
348.20297	1.9
383.82693	0.5
404.22928	4.6
413.21320	0.6
422.23950	36.9
423.24335	1.3
436.25555	8.4
454.26620	10.7
566.28516	0.9
584.29248	24.5
585.29633	1.2
598.30859	8.5
616.31964	9.2
672.58447	0.5
728.33307	1.0
746.34583	10.8
760.36029	15.8
761.35901	1.3
778.35669	5.6
779.31158	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.8
57.03417	1.3
57.17050	0.5
64.09051	0.4
65.03934	2.1
66.28974	0.4
67.05492	1.1
69.03424	8.0
69.32846	5.0
71.01340	1.0
71.04988	1.0
75.04470	1.8
79.05481	3.7
81.07043	1.8
81.99252	0.5
83.04973	8.0
85.02895	5.4
90.40691	0.4
91.05482	5.3
92.04995	6.8
93.07037	18.9
95.04952	4.0
95.08606	1.6
97.02882	0.6
99.04448	1.0
103.05477	0.6
105.07018	2.7
107.08576	1.9
109.02873	2.1
109.10174	0.7
111.04430	7.9
111.08041	1.1
115.05449	0.5
117.07011	1.2
118.06508	0.7
119.08574	5.7
120.04456	100.0
121.04794	1.5
121.06525	0.8
121.10136	14.5
123.08101	1.0
123.11685	0.5
129.05467	3.6
129.07013	1.2
130.06505	1.0
131.08571	1.7
132.04449	3.4
132.08083	0.6
134.05972	1.8
136.06151	0.5
137.05980	0.6
137.09566	0.5
138.05501	1.1
140.46497	0.5
143.07399	0.5
143.08546	0.6
146.05991	1.5
147.08061	2.5
148.03912	4.9
149.09627	5.9
150.05472	3.9
150.06310	0.4
156.08058	0.7
157.10120	0.6
158.06007	0.9
159.06816	0.6
160.03983	1.1
160.07594	1.0
162.05511	2.5
162.07581	2.6
165.09106	1.4
167.10657	3.5
170.06032	1.4
172.07605	1.1
174.05525	1.6
176.07086	0.6
184.07544	14.7
185.35245	0.5
186.05481	2.0
186.09143	1.3
188.07098	1.1
190.04971	1.2
200.07077	1.4
202.08638	1.4
204.06508	1.6
212.07066	15.6
230.08110	37.4
231.08466	0.9
242.08186	0.8
248.09163	13.0
259.13150	1.0
260.09161	0.9
266.10226	30.2
267.10529	1.2
268.13394	2.1
277.14264	1.1
278.10022	0.5
295.15359	10.3
308.11227	0.8
310.14081	0.6
313.16666	1.2
358.12781	0.8
376.13840	2.1
378.16995	1.3
396.18109	0.9
414.19153	2.9
458.54684	0.4
459.23514	0.6
524.22491	0.8
542.23730	0.7
560.24976	2.3
578.25812	1.3
788.76147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05509	3.0
57.03434	1.9
61.02930	3.9
65.03941	0.7
67.05504	6.5
69.03432	2.9
69.07066	3.6
71.04993	1.4
71.58632	0.6
73.02924	2.8
79.05492	6.3
81.03412	3.2
81.07062	6.9
83.04983	1.5
83.08620	1.6
85.02912	4.4
86.09736	0.9
91.03977	1.4
91.05488	6.6
93.07036	6.0
93.43422	0.5
95.04965	2.6
95.08613	3.8
97.02891	3.1
97.06548	0.7
97.10162	1.2
99.04459	0.8
101.02400	1.6
103.03931	0.6
105.07023	5.1
107.08607	2.7
109.02879	1.1
109.06561	1.1
109.10175	1.8
112.28453	0.5
117.07050	1.7
119.08578	3.7
120.33089	0.4
121.10143	1.3
121.14610	0.5
123.08068	0.8
125.09646	1.0
127.03942	1.4
127.31165	0.6
129.07043	1.6
131.08549	0.9
133.10103	2.2
135.11732	1.3
137.09618	0.7
143.08617	0.9
145.10181	1.4
147.11702	2.2
149.09677	0.6
149.13211	0.5
151.11295	0.6
161.09769	0.6
161.13344	0.8
163.11192	1.0
171.11731	1.6
173.11835	0.6
184.07365	1.5
198.26442	0.5
211.13368	0.8
217.89018	0.5
227.12820	0.5
243.08371	2.6
243.46042	0.4
247.13123	0.9
275.20276	0.4
291.19653	0.5
333.20392	1.7
465.21024	9.6
520.33734	0.7
551.28271	5.1
670.67126	0.5
775.42316	100.0
776.42560	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	775.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.19932	0.6
56.05037	0.9
56.05318	0.6
57.03428	0.8
61.02905	0.6
64.51881	0.6
65.03933	4.0
67.05480	2.0
69.03423	4.1
70.06581	4.1
71.58141	0.6
72.08154	1.5
73.02911	1.5
74.06049	0.7
75.61100	0.7
76.18746	0.6
78.04720	2.9
79.05489	3.5
81.03410	2.4
82.04189	1.6
84.04488	0.8
84.08106	1.3
85.02892	6.6
86.09699	1.6
89.03904	1.3
91.05474	7.9
93.03377	1.1
93.07028	2.8
95.04955	2.9
97.02864	2.8
97.06520	1.0
103.05460	2.7
103.93651	0.6
105.03380	0.7
105.07001	1.7
106.04158	1.5
107.04944	4.1
107.08656	0.8
109.02859	0.9
110.03630	2.5
111.04448	1.4
114.10273	0.6
115.05434	7.0
116.06223	0.7
116.12139	0.7
117.03370	1.7
117.07002	8.6
117.20786	0.6
119.04919	5.4
119.08604	1.0
120.08083	0.6
121.06453	1.0
121.10136	1.2
122.03637	1.5
123.04417	8.7
124.05184	2.7
125.05975	2.7
127.03911	1.5
127.05417	0.8
131.04897	2.4
133.02744	1.1
134.03574	0.7
135.04398	0.8
137.02338	2.1
137.05966	16.0
142.02586	0.9
143.04926	1.3
145.02847	5.3
145.06468	16.2
146.03162	1.4
147.04413	7.1
147.08009	1.1
148.05179	0.9
149.05972	2.3
151.03917	3.3
151.07558	1.5
152.04677	2.8
153.05478	2.2
153.09126	0.7
155.06010	4.0
160.05273	0.7
161.05940	2.7
163.03918	0.9
163.07529	0.9
165.05511	1.4
167.07027	100.0
168.07413	1.4
171.06525	3.7
173.05980	20.9
174.06654	0.7
175.07483	2.1
177.05449	12.0
177.28288	0.7
178.05797	5.6
179.05750	1.0
179.06999	2.0
181.04942	63.8
182.05328	0.7
187.07578	0.7
188.04655	1.1
191.07047	2.5
193.08539	1.2
201.05437	1.4
203.06941	3.5
205.08545	5.9
207.06444	1.3
207.10063	0.8
209.08084	1.6
213.05556	0.7
217.08566	0.8
219.06387	1.0
221.07935	0.7
223.07574	0.7
231.06421	1.2
233.08029	6.5
234.06676	0.9
234.08755	0.9
235.07524	1.2
235.09644	8.4
237.09097	0.9
250.06168	0.9
265.08624	1.5
267.10126	0.8
282.09045	0.9
283.09592	0.7
293.08112	1.3
294.08807	0.9
297.11212	1.5
303.04956	9.7
304.05255	3.0
305.05511	1.6
310.08426	1.4
315.05035	1.5
323.09366	0.7
325.10751	2.4
326.11481	1.1
329.13763	1.0
353.10086	1.0
354.10638	0.7
355.11557	1.6
357.13318	9.5
371.14587	0.9
377.56787	0.7
380.37183	0.6
385.12793	34.0
386.13110	1.6
387.14371	9.8
397.12851	2.5
399.14322	1.1
403.13654	2.0
415.13925	3.8
416.14767	1.0
417.15393	12.8
455.92523	0.7
552.64697	0.7
565.20532	0.8
594.91357	0.7
613.22791	14.3
643.23291	2.0
711.67554	0.7
775.27972	18.9
776.28314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
55.05509	20.2
57.02769	2.2
57.03421	10.6
57.07072	3.6
65.03943	3.0
66.76255	2.3
67.05502	71.3
68.69547	2.6
69.03423	4.1
69.07077	20.1
71.04993	37.5
71.58807	4.3
73.50961	2.4
79.05493	52.5
81.03415	5.2
81.07054	100.0
83.04958	6.8
83.08623	11.6
85.06533	9.0
86.09697	11.0
91.05479	71.6
93.07039	57.6
95.04959	11.5
95.08600	32.8
97.02892	4.0
97.06523	6.1
97.10153	5.1
99.08082	4.1
104.68178	2.5
105.07027	61.9
107.04936	4.7
107.08592	32.6
109.02831	3.4
109.06480	3.3
109.10170	17.2
111.08085	5.6
114.17384	2.9
117.07013	27.3
119.08570	45.9
121.06530	3.0
121.10168	20.3
123.08028	3.7
123.11724	15.5
125.09634	6.5
129.07018	8.1
131.08562	29.8
133.10132	49.1
135.08044	3.8
135.11694	16.9
143.08568	11.2
145.10121	21.8
147.11696	25.5
149.09659	3.0
149.13243	9.8
151.11191	9.2
155.08609	3.5
157.10178	12.6
159.11690	22.7
161.13266	15.3
163.11159	4.4
169.10095	4.4
171.11670	13.7
173.13261	9.9
175.14828	4.5
183.11691	8.0
184.07426	3.0
185.13257	12.9
187.13297	6.0
187.14877	2.9
193.79681	2.6
195.11668	4.4
195.13718	4.0
197.13292	4.9
199.14903	4.5
201.14896	4.3
239.18109	2.8
241.19481	11.3
243.15938	4.3
259.20618	30.3
269.17493	9.4
271.20844	2.6
287.11313	3.5
297.22281	3.2
301.20020	24.9
315.23184	7.3
333.24246	33.2
335.25858	4.0
353.24615	2.8
374.92853	2.5
391.01221	3.0
409.30975	6.1
435.32394	6.2
437.36288	2.6
465.20724	3.2
483.34631	7.8
501.28699	4.6
501.35751	76.8
503.37387	6.0
509.36359	3.0
516.42828	3.1
527.37292	47.5
530.03088	2.7
533.38452	6.9
545.38251	9.6
559.40222	18.9
599.59418	2.6
774.40918	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	774.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.1
55.05513	24.6
57.03442	18.1
57.07074	2.3
61.02929	2.5
65.03932	5.3
67.05507	76.3
69.03435	4.0
69.07069	18.7
69.23978	22.3
71.04984	4.1
74.05285	1.6
79.05497	50.8
81.03420	100.0
81.07059	66.9
83.04966	8.4
83.08623	22.8
85.06525	1.9
91.04903	2.6
91.05475	39.6
93.06470	3.7
93.07040	52.6
93.07629	2.6
95.04961	34.7
95.08605	50.2
97.02888	3.0
97.06490	4.1
97.10223	3.7
98.21525	3.3
105.07034	29.5
107.04942	6.7
107.08592	27.9
109.06490	4.3
109.10166	16.9
111.04417	3.2
111.08080	8.1
117.07031	8.7
119.08582	24.8
121.06516	4.6
121.10143	27.8
123.08087	4.4
123.11682	4.6
125.09618	4.3
129.07010	12.0
131.08563	19.5
133.06448	4.7
133.10132	16.9
135.11702	13.5
142.07767	2.8
143.08572	2.3
145.10135	7.1
147.08072	5.4
147.11664	13.5
149.09610	5.6
149.13258	9.3
157.10135	13.5
159.11726	6.7
161.09540	2.4
161.13264	7.1
163.11180	2.8
163.14847	3.4
164.55566	1.8
171.11636	2.1
173.13245	7.2
175.11215	8.9
185.13232	3.2
187.14833	3.5
189.11212	4.1
193.12225	20.1
201.16463	2.1
211.13243	2.1
227.12808	6.0
231.11034	2.1
235.13284	2.8
236.81770	2.0
243.21210	4.3
249.14925	2.3
261.22165	23.3
267.15921	99.5
285.16937	2.6
301.25241	6.2
309.16904	2.9
317.24747	4.5
335.25809	91.3
435.32654	4.5
453.33429	4.9
471.34402	3.0
527.37335	59.5
528.38037	3.3
545.38409	41.7
546.38641	3.2
559.39197	2.2
569.38257	3.8
679.80853	2.3
782.91663	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.3
55.05507	26.3
57.03439	12.9
57.07077	2.0
61.02914	1.9
65.03923	2.6
67.05505	55.8
69.03412	6.0
69.07062	31.3
69.50046	12.9
70.06587	1.3
71.05000	7.0
73.02895	1.5
74.40833	1.3
79.05489	45.8
81.03416	18.9
81.07053	100.0
83.04989	14.4
83.08619	18.1
85.02913	8.9
85.06527	6.2
86.09713	1.8
91.05474	42.7
93.07041	41.7
94.07365	2.2
95.04954	13.2
95.08606	31.4
97.02902	3.1
97.06519	14.9
97.10166	9.0
99.08083	5.7
105.07029	48.7
106.07348	1.6
107.04943	7.5
107.08591	30.0
109.02885	3.2
109.06530	10.3
109.10152	9.1
111.04468	1.4
111.08073	5.5
113.06028	2.5
115.05423	1.6
117.07002	10.2
119.08577	38.8
119.62318	1.4
121.06484	2.6
121.10136	27.4
123.08048	5.3
123.11711	20.1
125.00002	1.9
125.09658	6.9
127.03922	3.3
127.07537	3.3
128.06250	1.6
129.06998	5.6
131.08562	12.5
133.10127	19.6
135.08029	4.2
135.11665	6.6
137.09575	2.8
137.13239	1.5
143.08540	2.4
145.10127	13.1
147.08038	2.8
147.11684	59.4
149.09622	13.0
149.13234	6.3
151.11223	3.3
153.09120	1.4
155.08582	2.0
157.10144	6.9
159.11711	11.8
160.10854	1.5
161.09660	2.0
161.13196	3.7
163.11171	8.8
165.12752	19.1
169.10127	3.2
171.11699	3.1
173.13184	2.4
175.11192	6.4
177.12700	2.1
179.14359	1.9
184.07333	4.1
185.13261	1.9
189.11192	5.2
193.12276	7.3
195.11522	1.6
195.13667	2.4
197.13235	1.8
201.12996	1.7
210.44284	1.5
211.13231	7.9
227.12773	11.3
229.14340	4.7
229.19487	1.9
239.18018	2.4
248.61586	1.7
255.15898	4.3
257.18988	10.0
267.15924	58.9
269.17590	11.4
275.20032	34.9
283.15408	1.6
285.16962	46.2
293.21075	3.0
331.22717	1.6
349.23712	32.0
367.24847	6.9
437.25446	3.9
439.27203	1.6
465.28476	7.3
479.30014	23.2
541.35315	9.3
559.36279	46.8
577.37170	13.3
599.30731	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.6
55.05510	34.0
57.03437	14.6
57.07072	6.2
57.20576	2.5
61.02929	16.1
61.31488	2.3
65.03940	6.0
67.05502	97.0
69.03422	10.8
69.07070	28.9
71.01360	3.3
71.04988	4.2
73.02912	9.0
77.03924	2.9
79.05493	72.1
81.03412	7.0
81.07050	86.4
83.04963	5.4
83.08612	13.3
85.02913	15.0
85.06546	3.4
91.03960	8.2
91.05479	72.1
91.06351	3.2
93.07042	91.3
95.04943	15.8
95.08601	69.8
97.02893	11.8
97.06493	3.4
97.10181	4.4
99.04499	5.6
105.07035	60.7
107.08590	44.3
109.02873	2.9
109.06514	6.1
109.10152	31.6
111.08089	4.5
117.07018	26.0
119.08577	62.6
121.06475	3.3
121.10149	39.3
123.08109	4.2
123.11719	7.8
125.09621	3.4
128.06242	4.5
129.05466	2.7
129.06999	16.8
131.08553	41.0
133.10130	45.0
135.11703	28.0
137.13246	3.2
141.06931	4.6
143.08585	20.7
145.10114	38.2
147.11676	42.2
149.09605	4.7
149.13283	13.6
155.08578	7.5
156.09395	3.0
157.10147	20.4
159.11691	30.9
161.13254	32.2
163.14766	6.3
167.08563	3.4
169.10146	12.0
171.08165	2.9
171.11696	22.1
173.13271	21.7
175.11195	3.5
175.14816	17.5
181.10143	6.2
183.11659	9.5
185.13277	12.4
187.14821	12.2
189.12646	3.9
189.16402	4.1
191.14270	3.0
195.11638	5.2
197.13268	7.0
199.14856	12.2
201.16386	4.0
209.13354	3.6
211.14822	4.4
213.16435	6.1
215.14346	2.5
216.69241	2.4
223.14839	3.6
225.12679	3.1
225.16367	4.2
229.27225	2.9
231.21098	5.0
240.15167	2.8
241.19569	21.2
243.21120	3.3
257.19025	9.5
259.20581	42.2
261.22125	10.8
276.20511	2.6
295.20624	3.0
301.21625	3.2
313.21387	3.6
333.24301	26.9
335.25772	71.0
337.27350	3.8
385.23773	3.8
519.41943	4.9
593.45435	11.3
609.44940	7.6
611.46619	100.0
701.47650	3.9
719.47882	5.2
736.24036	3.1
737.49365	4.5
773.52997	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	773.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.4
57.03434	7.3
57.07077	4.8
57.61905	4.0
61.02917	14.1
61.83410	3.7
64.59652	3.6
67.05176	6.5
67.05505	61.0
69.03427	7.3
69.07056	14.9
71.36253	8.9
73.02918	6.4
79.05492	40.7
81.03402	8.8
81.07047	49.9
83.08614	8.6
85.02902	8.9
91.03934	6.4
91.05480	52.2
91.33453	3.6
93.07046	44.5
95.04974	8.1
95.08607	45.6
97.02885	11.3
97.06559	3.9
97.10184	5.7
97.47943	3.4
105.07030	31.5
107.04968	5.7
107.08570	23.3
109.06557	4.8
109.10134	15.5
117.07018	14.5
119.08580	37.4
121.10139	17.3
121.91772	4.4
122.94690	4.4
123.11622	4.7
129.06981	9.0
131.08533	22.4
133.10144	27.0
135.11676	11.7
143.08560	12.7
145.10138	21.2
147.11658	21.7
149.13297	8.5
155.08571	6.3
157.10123	13.5
159.11719	22.1
161.13239	16.6
163.14777	4.2
169.10117	6.1
171.11664	12.7
173.13257	7.8
175.14827	13.3
183.11649	3.9
185.13298	9.5
187.14830	4.3
197.13235	6.1
199.14818	5.4
201.16301	4.1
211.14854	7.7
216.05473	3.9
230.21176	4.2
239.18036	5.9
241.19482	16.4
257.18927	8.3
259.20483	31.9
261.22223	4.0
271.20627	4.2
333.24344	20.6
335.25815	42.3
519.42322	6.0
593.45532	6.6
611.46704	100.0
669.41571	4.5
755.51025	5.4
773.51459	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	773.2132
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01877	0.6
55.05500	0.3
55.63814	0.2
57.03196	0.2
57.03442	2.8
61.02928	1.8
68.99802	0.4
69.03079	0.4
69.03432	5.7
70.06628	0.2
71.01339	0.4
71.04995	9.5
71.17027	0.4
73.02921	1.2
75.04478	0.4
78.67273	0.2
81.03415	2.0
82.01930	0.2
83.01326	0.2
83.04995	1.0
85.02905	24.5
87.04465	1.1
91.03936	0.6
93.03381	0.4
95.04955	0.2
97.02892	4.2
99.04436	1.2
101.02387	0.4
102.67258	0.2
103.03963	0.5
109.02874	1.9
111.00804	0.7
111.04455	0.5
115.03934	0.2
121.02854	0.8
127.03924	3.1
129.05495	2.4
137.02341	2.5
145.04938	2.1
147.04430	0.3
147.06520	0.8
148.40369	0.2
149.02391	0.4
153.01825	2.8
163.03903	0.6
165.01822	1.6
173.05965	0.3
183.02895	0.4
201.05475	0.8
205.05037	0.3
219.06584	0.3
228.04329	0.3
229.04984	3.2
245.04240	0.2
247.05959	0.7
254.73615	0.2
257.04437	2.7
258.04810	0.2
273.03857	0.4
274.04727	0.8
275.05399	0.4
285.03790	1.2
286.04642	0.2
301.03555	0.3
302.04257	1.1
303.04990	100.0
304.05334	2.2
315.04947	0.7
319.04446	3.1
327.05054	0.6
337.48285	0.2
341.33731	0.2
345.06042	2.2
369.05872	0.4
413.09100	0.3
431.09634	0.4
447.09171	0.4
449.10834	0.3
465.10309	21.9
466.10425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2127
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01869	0.2
55.05511	0.2
55.71180	0.2
57.03434	1.7
61.02912	0.6
68.99781	0.3
69.03415	1.1
70.72259	0.4
71.01315	0.2
71.04597	0.5
71.04987	8.6
73.02887	0.4
75.04476	0.5
81.03410	1.0
83.04971	0.5
84.70271	0.3
85.02901	12.0
93.03383	0.4
95.04909	0.2
97.02879	1.5
101.07069	0.2
109.02855	0.5
111.00803	0.7
111.04455	0.4
121.02886	0.8
123.04480	0.3
127.03898	1.0
129.05475	2.4
130.05006	0.4
137.02351	2.7
145.04916	0.8
147.04387	0.2
147.06477	0.6
147.07651	0.6
149.02428	0.4
153.01796	2.4
161.05971	0.3
163.03915	0.4
165.01846	1.9
176.99979	0.2
183.02837	0.7
187.03871	0.2
191.56612	0.2
195.02856	0.3
201.05443	1.0
211.03783	0.2
229.04941	3.3
247.05988	0.7
257.04453	2.1
274.04724	0.7
285.03876	1.6
285.17026	0.2
303.04965	100.0
304.05261	2.5
345.05972	0.6
465.10287	19.4
466.10330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2123
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01836	0.3
57.03431	1.5
58.55106	0.3
61.02913	0.3
69.03407	1.2
69.91584	1.4
70.06589	0.4
71.04990	7.9
75.04475	0.4
76.02233	0.3
81.03428	1.8
83.04986	0.6
84.04493	0.4
84.08107	0.3
85.02902	11.4
87.04423	0.4
91.05453	0.3
92.49092	0.3
95.04960	0.3
97.02880	1.5
99.04440	0.4
107.04929	0.4
109.02847	0.8
109.92368	0.3
111.00763	0.7
111.04418	0.5
119.04919	0.3
121.02822	0.8
127.03913	1.1
129.05467	2.4
130.04970	1.3
137.02319	2.6
145.04932	0.7
147.04366	0.5
147.06490	0.8
147.07658	1.3
149.02367	0.4
153.01784	2.0
161.05931	0.3
163.03922	0.7
165.01819	1.6
179.04941	0.3
183.02869	0.7
193.12253	0.9
201.05548	0.9
229.04945	2.7
247.06204	0.4
257.04309	2.3
267.15848	0.5
269.14417	0.3
274.04779	0.6
275.05295	0.5
285.04044	1.6
285.17017	0.9
303.04974	100.0
304.05338	2.0
308.09018	0.3
345.06015	0.5
465.10278	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	773.2129
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.03431	1.4
61.02922	0.4
61.19958	0.2
62.04354	0.2
65.55484	0.2
69.03427	1.3
70.06587	0.6
70.19030	1.0
71.04991	8.4
73.02901	0.2
75.04464	0.5
81.03401	0.7
83.04971	0.7
83.64778	0.2
84.04495	0.3
85.02905	12.8
87.04453	0.5
89.16951	0.2
95.04968	0.2
97.02891	1.4
99.04456	0.4
109.02869	0.5
111.00790	0.7
111.04357	0.4
121.02861	0.8
127.03916	0.9
129.05482	3.2
130.04985	0.4
136.94359	0.2
137.02336	2.9
145.04938	0.6
147.06525	0.7
147.07622	0.3
147.52461	0.2
149.02377	0.5
153.01833	2.5
161.05957	0.2
163.03917	0.5
165.01848	1.6
166.02679	0.2
173.06114	0.2
183.02895	0.9
193.12286	0.3
195.03035	0.3
201.05467	1.1
205.04915	0.2
215.78981	0.2
218.84383	0.2
219.06531	0.3
229.04948	3.4
247.06076	0.6
257.04388	2.5
274.04660	0.4
285.03912	1.1
291.46667	0.2
303.04984	100.0
304.05249	1.8
308.09207	0.4
315.05017	0.2
345.06073	0.7
447.09064	0.3
449.10825	0.2
450.29141	0.2
465.10297	20.8
466.10709	0.6
627.15924	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	771.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05509	12.0
57.03424	5.4
57.07069	2.3
59.05007	0.8
61.02925	17.0
65.03934	1.9
65.82541	0.6
67.05501	23.7
69.03426	9.6
69.07066	10.2
69.44733	6.2
71.01337	1.0
71.04998	2.0
71.08655	0.7
71.92380	0.7
73.02917	10.5
77.03924	1.1
79.05487	17.2
81.03413	4.0
81.07056	25.6
83.04971	2.4
83.08609	5.2
85.02901	14.8
85.06542	1.9
87.04474	1.3
91.03949	6.9
91.05475	16.8
93.07045	16.4
94.39040	0.7
95.04971	3.6
95.08601	19.2
97.02892	12.3
97.06532	2.2
97.10143	3.8
98.20785	1.6
99.04429	1.7
99.08080	1.4
101.02371	2.7
105.07037	15.5
106.07344	0.8
107.04939	2.3
107.08591	12.6
109.02882	1.7
109.06525	2.1
109.10154	8.1
111.08057	1.6
115.05488	2.3
117.07021	9.7
119.08574	14.2
121.06507	1.2
121.10141	7.9
123.08070	1.8
123.11726	2.4
125.09627	0.8
127.03938	2.5
128.06235	2.9
129.05536	1.0
129.07001	10.7
130.07841	1.3
130.08864	0.7
131.08566	15.4
133.10139	9.7
135.08081	1.5
135.11673	5.0
137.09694	1.0
137.13242	1.4
141.06995	5.3
142.07800	2.9
143.08562	12.9
144.09331	1.0
145.04932	1.0
145.06445	0.9
145.10114	13.3
147.08086	1.2
147.11673	6.3
149.09575	1.0
149.13268	2.5
153.06989	1.3
154.07727	1.5
155.08553	10.1
156.09348	1.7
157.10118	11.7
158.10739	0.7
159.08112	0.9
159.11688	7.3
161.09628	0.8
161.13295	3.2
161.14473	0.7
165.05698	0.6
165.07037	2.5
166.07808	1.1
167.08563	6.0
168.09337	2.2
169.10112	12.7
170.10716	0.6
171.11678	10.6
173.13277	5.4
175.14847	2.3
179.08578	3.0
180.09407	0.7
181.10112	6.3
182.10909	1.4
183.11687	12.3
184.07329	0.9
184.12181	0.7
185.09641	0.7
185.13254	8.1
187.14854	3.1
189.16406	1.0
193.10115	3.6
195.11705	8.8
196.12242	1.1
197.13251	8.9
199.14783	5.9
201.16438	1.4
205.10204	1.2
207.11763	2.7
209.13239	8.5
210.13942	0.7
211.14810	5.8
213.16505	3.8
215.18018	1.1
219.11710	1.8
221.13283	3.1
221.15228	0.8
223.14792	6.0
224.84331	0.6
225.16396	3.8
227.17966	2.4
233.13264	1.2
235.14888	2.6
237.16333	3.8
239.18047	2.6
241.19757	1.1
247.14825	0.9
247.17058	0.8
249.16425	1.7
251.17905	2.3
253.19557	1.3
261.16571	0.8
265.15802	0.9
265.19498	1.4
277.19366	1.0
279.21136	1.1
293.18988	0.9
313.21799	1.1
323.20285	0.7
323.23816	1.5
325.25238	1.0
335.23499	1.0
337.25314	1.7
349.25177	1.2
351.26901	1.6
353.24896	1.1
363.26791	1.4
365.28540	1.2
367.26105	1.0
379.30219	1.0
391.30145	0.8
421.30939	1.0
447.32391	1.1
499.39349	1.3
515.38062	1.0
517.40460	7.5
527.37689	1.4
535.41553	4.1
539.37701	1.9
541.39124	0.9
591.44165	7.8
607.42999	3.3
609.45093	100.0
610.45447	6.8
621.44958	1.4
651.46021	1.0
688.72723	0.8
717.47180	1.7
735.48651	1.3
753.48792	1.7
771.50397	19.2
772.51270	1.0
795.14374	0.9
802.55585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
55.05512	10.1
57.03429	4.8
57.07065	1.8
59.05000	0.6
61.02928	17.5
65.03943	1.4
65.39496	0.6
67.05502	22.2
69.03425	7.1
69.07069	9.5
70.10813	2.2
71.01357	1.3
71.04967	1.1
71.08628	0.8
73.02919	9.0
79.05490	15.7
81.03409	3.7
81.07054	21.1
83.04977	1.3
83.08617	5.8
85.02903	13.2
85.03375	1.2
85.06541	1.1
89.70044	0.6
91.03952	7.7
91.05482	14.0
92.16325	0.6
93.07047	15.5
95.04985	2.5
95.08604	16.5
95.09171	1.2
97.02895	11.4
97.06541	2.3
97.10181	2.7
99.04469	1.5
101.02391	1.8
105.07029	12.5
107.04958	1.1
107.08591	9.9
109.02919	0.9
109.06516	1.1
109.10157	6.7
111.08064	1.3
115.05495	0.8
117.07007	8.4
119.08574	11.3
121.10142	7.2
123.08102	1.1
123.11722	2.2
125.09587	0.8
127.03931	2.8
128.06256	2.6
129.07005	9.6
130.07800	0.9
131.08559	11.7
133.10129	10.2
135.11679	4.7
137.13226	1.3
141.06989	3.4
142.07796	2.7
143.08565	12.7
145.10120	10.8
147.11702	5.7
149.13275	1.7
153.07036	1.5
154.07854	1.2
155.08542	8.6
156.09410	0.9
157.10114	11.1
159.11699	7.8
161.13255	3.9
163.14908	0.7
165.07062	1.0
166.07732	0.7
167.08588	5.2
168.09358	1.4
169.10110	11.9
171.08107	0.7
171.11684	9.7
172.12163	0.7
173.13272	5.1
175.14793	1.3
179.08556	2.2
180.09364	1.3
181.10120	6.3
182.10979	1.5
183.11682	13.8
185.13228	8.0
187.14816	3.3
189.16402	1.3
193.10115	3.2
195.11703	6.9
197.13246	10.8
197.14999	0.7
199.14821	4.3
201.16451	1.9
205.10191	1.0
207.11726	2.0
209.13239	6.3
211.14804	6.4
213.16460	3.2
219.11690	1.6
221.13290	2.6
223.14847	4.0
225.16348	4.4
227.17982	2.1
235.14815	1.8
237.16324	3.4
239.17979	2.0
241.19704	0.9
247.14810	0.9
249.16479	2.4
251.18033	1.6
253.19572	1.3
263.17975	1.1
265.19464	0.8
267.21069	1.3
269.18951	0.9
269.22794	0.6
271.20685	0.7
281.19000	0.6
281.23148	0.7
283.20483	0.7
285.22067	0.9
297.21973	1.1
309.21979	1.3
311.23721	0.7
313.21701	0.8
321.22012	1.1
337.25198	0.8
339.26843	0.9
341.24762	0.8
351.26788	1.5
356.40921	0.6
363.27051	0.9
365.28513	1.3
377.28271	0.8
379.30090	1.0
393.32047	0.8
435.32675	0.7
447.32562	1.8
449.33997	0.7
465.34116	1.1
473.32849	0.8
475.35648	0.6
499.39700	0.8
501.35312	1.1
517.40704	5.2
521.36426	0.9
525.35095	0.9
527.37201	1.3
535.41681	4.2
539.37317	2.1
540.37946	0.9
541.38831	1.8
549.39502	0.7
555.41980	1.0
591.43964	5.6
607.43646	2.5
609.45099	100.0
610.45569	7.1
611.47070	1.1
621.45367	1.0
651.46649	1.1
735.47552	1.7
753.48431	1.1
771.50305	17.2
772.50684	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.6
55.05507	25.0
57.03433	7.5
57.07062	5.9
60.21439	4.0
61.02965	3.5
65.03928	4.5
67.05503	64.2
69.03423	13.7
69.07066	27.3
71.05003	5.5
71.58452	4.9
73.02892	3.5
79.05495	50.7
81.03394	15.6
81.07053	61.1
83.04984	4.4
83.08610	13.8
85.02899	10.1
85.06534	6.8
91.05483	34.0
93.07045	50.8
95.04948	10.8
95.08607	50.1
97.02901	9.5
97.06513	5.7
97.10159	10.5
99.04464	6.1
105.07033	39.9
107.08572	29.9
109.10155	16.1
111.04467	7.6
115.05443	6.5
117.07021	23.2
119.08564	34.9
121.06480	5.3
121.10118	17.5
123.11702	3.6
127.03925	7.6
128.06248	10.0
129.07004	32.1
131.08553	35.6
133.10101	21.5
135.11688	11.1
141.06976	14.6
142.07776	8.3
143.08560	27.5
145.10106	33.2
147.11699	15.9
149.13293	5.6
152.05710	8.7
154.07716	5.4
155.08569	23.2
156.09323	4.1
157.10141	26.0
159.11705	20.5
161.13219	5.2
163.11154	4.3
167.07149	8.5
167.08559	19.4
168.09273	5.2
169.10149	34.1
170.10939	4.6
171.11694	30.8
173.13255	14.1
175.14871	4.6
179.08516	5.7
181.10092	25.9
182.10971	3.8
183.11723	26.5
185.13289	15.3
187.14857	10.1
189.12868	5.0
193.10176	5.8
195.11659	21.6
197.13278	24.8
199.14813	14.2
201.16296	5.4
207.11691	10.2
209.13281	20.4
211.11256	4.3
211.14836	13.3
213.16310	9.1
219.11749	4.5
221.13281	6.2
223.14798	16.3
225.16315	12.7
227.17993	6.8
235.14943	7.4
237.16333	11.4
239.17915	7.2
241.19705	5.7
245.13260	4.6
251.18010	5.7
253.19583	7.1
261.59390	3.6
265.19382	4.8
277.21780	3.6
279.14578	3.7
295.20374	4.5
299.44882	3.8
323.23578	4.3
325.25140	4.7
349.25098	4.6
351.26828	5.1
379.30005	4.2
473.84784	3.8
517.40582	10.0
533.16888	5.0
535.41107	6.8
545.37964	52.2
591.43744	5.4
607.42596	6.9
609.45532	19.5
625.42285	5.3
643.43353	5.1
661.45026	9.1
679.45215	6.6
717.47363	5.8
735.47662	11.0
739.33527	5.0
753.48535	21.3
771.50391	100.0
772.49847	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	771.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.05512	0.3
57.03435	1.8
63.02369	0.4
67.05492	0.3
67.82420	0.2
68.99789	0.5
69.03435	1.3
69.07060	0.3
70.06594	1.3
71.01331	0.3
71.04993	8.1
71.58054	0.3
72.08126	0.3
72.77117	0.2
73.02919	0.4
75.04448	0.5
75.27680	0.2
78.04714	0.4
79.05495	0.7
81.02989	0.3
81.03422	3.3
81.07048	1.0
83.04948	0.6
84.04495	0.3
84.08138	0.5
85.02908	7.9
85.06525	0.4
86.09700	0.5
89.03405	0.5
89.03917	5.5
91.05473	1.0
93.07043	1.8
94.07374	0.3
95.04976	0.5
95.08613	0.6
97.02875	0.9
99.04472	0.3
103.05489	0.4
105.07024	0.8
107.04958	0.6
107.08560	0.5
109.02877	0.8
111.00795	0.4
111.04435	0.5
111.36928	0.2
117.03381	14.7
118.03715	0.2
119.04958	0.5
119.08582	1.0
121.02871	4.5
121.06488	1.5
122.06886	0.3
124.05165	0.3
127.03922	1.6
129.05458	1.3
131.04878	0.4
133.02827	0.4
133.06502	0.3
133.10146	0.6
134.03653	0.9
135.04417	1.4
137.02341	0.9
137.05994	0.8
145.02846	38.8
146.03139	0.3
147.04405	1.3
147.11644	0.5
148.12000	0.4
149.05988	4.7
151.03917	0.4
153.01825	1.4
157.10022	0.3
160.27878	0.3
161.05940	0.3
161.13292	0.3
163.03918	0.9
165.01831	0.8
175.03923	0.3
175.11183	0.5
177.05467	100.0
178.05803	1.1
179.07050	0.3
183.02913	0.6
186.05470	1.1
189.12740	0.8
190.13144	0.4
195.06493	1.5
207.06691	0.4
213.05449	0.7
217.12280	0.7
218.12578	0.4
231.06381	0.3
241.04984	0.6
258.05304	0.4
287.05496	50.4
288.05804	0.9
291.15674	0.4
292.16238	0.5
299.05447	0.8
309.16693	0.4
310.17136	0.3
311.05627	0.4
321.09720	5.5
329.06552	1.2
331.08017	0.5
339.10782	5.7
366.19846	0.3
383.20624	1.0
384.20886	1.2
397.09100	0.6
415.10281	0.4
433.11029	0.6
560.24316	0.7
771.27545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.8
55.05264	2.7
55.05510	41.3
57.03430	12.0
57.07059	3.2
61.02924	19.1
65.03931	7.8
67.05501	83.2
69.03426	38.7
69.07056	31.9
70.11727	10.7
71.01336	2.4
71.04982	7.8
71.08630	2.7
73.02897	8.5
76.28249	2.0
77.03941	2.4
79.05486	70.5
81.03413	42.5
81.06586	4.6
81.07054	74.1
83.04987	14.3
83.08607	17.8
85.02904	24.6
85.06533	3.0
91.03931	7.2
91.05479	71.2
93.06480	4.3
93.07042	66.8
95.04960	19.2
95.08601	58.0
97.02893	29.3
97.06528	9.9
97.10170	12.0
98.65436	2.0
99.04433	8.0
99.08082	3.2
101.02351	4.6
103.05460	4.0
105.07025	62.9
106.14233	1.8
107.04924	7.6
107.08587	40.8
109.02876	9.6
109.06536	10.4
109.10147	26.3
111.04390	4.4
111.08068	6.6
114.62195	1.9
115.05421	5.6
116.06177	1.8
117.07008	29.4
119.08572	49.1
121.06495	5.2
121.10139	25.6
123.08038	6.4
123.11689	5.7
125.09604	7.9
127.03901	9.7
128.06221	8.5
129.05469	4.3
129.06989	26.8
130.07741	3.2
131.08554	40.2
133.06468	6.2
133.10135	36.0
135.08031	8.3
135.11664	15.2
137.05943	3.1
137.09616	5.0
139.11118	2.9
141.06995	18.1
142.07771	8.3
143.08556	35.0
145.06474	5.6
145.10107	42.4
147.04404	2.2
147.08060	4.7
147.11697	22.4
149.02359	28.7
149.03476	4.0
149.09593	7.5
149.13249	8.3
153.06972	7.5
154.07738	3.8
155.08540	28.0
156.09332	3.6
157.06473	2.0
157.10121	26.6
159.08084	5.0
159.11687	26.6
161.09624	4.0
161.13193	11.3
163.11147	2.4
165.06985	7.1
165.12686	2.3
166.07794	4.5
167.08549	20.7
168.09332	4.5
169.10098	31.8
171.08005	3.8
171.11676	23.5
173.04449	14.7
173.09612	4.6
173.11856	3.4
173.13210	16.1
173.74937	1.8
175.11150	4.3
175.14813	5.3
177.12708	2.8
178.07872	2.9
179.08537	8.3
180.09302	3.4
181.08632	2.9
181.10101	22.4
182.10849	2.9
183.11668	24.5
184.12314	1.9
185.09592	3.8
185.13249	15.1
187.11188	4.4
187.14758	7.0
189.12737	3.4
191.08597	2.5
191.14162	2.0
192.09206	2.0
193.04984	27.6
193.10115	12.8
194.10837	3.3
195.11682	18.9
196.12361	3.5
197.13257	19.4
199.11140	3.9
199.14815	8.7
201.12891	3.5
201.16389	2.9
203.14369	2.1
205.10135	5.2
206.10925	4.1
207.11694	13.3
209.13239	14.5
210.13921	2.0
211.14786	10.1
213.12660	2.6
213.16322	4.2
217.15704	2.3
219.11642	6.4
221.13278	10.2
223.11316	2.5
223.14853	12.9
225.12772	2.4
225.16417	5.7
227.12590	2.8
227.18094	2.9
227.20068	6.4
229.19559	3.3
231.11636	2.5
233.13199	5.8
235.14854	9.3
237.12709	4.1
237.16360	5.9
239.17921	5.6
241.12578	2.0
241.19353	4.6
247.14894	2.8
249.16364	5.3
251.17891	4.8
253.19580	2.0
257.19019	5.4
259.20532	6.7
263.17996	2.7
265.19217	2.3
271.20450	2.7
273.18451	3.2
275.17722	2.2
275.20123	18.6
282.35117	2.2
291.00967	2.1
299.20181	3.2
311.23480	2.6
313.21552	3.1
315.23376	3.0
325.21600	3.7
327.23291	2.4
335.23520	3.0
363.26495	3.0
367.22696	5.9
391.29965	2.8
459.27173	3.1
499.34497	2.7
513.35480	3.4
515.38690	11.9
519.34259	2.4
527.37488	4.6
533.40002	4.8
537.35675	4.2
539.37567	3.3
551.41388	4.8
589.42371	6.5
605.41772	3.8
607.43524	100.0
608.43359	6.4
609.45447	3.4
625.43951	3.5
671.41187	3.0
721.88281	2.2
733.46118	6.2
751.47034	8.7
769.48669	45.6
770.48712	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	769.488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.1
55.05262	3.7
55.05510	45.8
57.03437	19.9
57.07076	4.9
59.04999	2.6
61.02921	18.5
62.93760	2.1
62.98986	2.3
63.43750	2.5
63.84349	2.1
65.03932	9.0
67.05503	96.2
69.03426	39.4
69.07068	42.1
70.01250	2.5
70.01543	13.0
71.01375	3.8
71.04995	12.7
73.02909	10.2
77.03922	3.8
79.05487	81.7
80.05824	4.6
81.02984	4.4
81.03422	56.3
81.06585	5.2
81.07056	94.8
83.01331	2.8
83.04978	15.9
83.08618	18.9
85.02896	23.5
85.06535	4.4
91.03944	5.8
91.05479	100.0
93.07041	87.1
95.04969	28.4
95.08604	68.2
97.02879	28.0
97.06499	13.6
97.10162	10.9
99.04464	8.3
99.08081	4.3
101.02370	2.8
103.05458	5.7
105.07028	79.6
106.36012	2.3
107.04971	12.1
107.08590	49.4
109.02883	14.9
109.06560	11.0
109.10162	31.0
111.04430	7.9
111.08067	7.6
115.05444	8.6
116.06245	3.4
117.07014	42.0
119.08575	64.1
120.08912	3.5
121.06493	7.2
121.10146	33.8
123.08063	8.9
123.11678	7.5
125.09618	10.0
127.03900	8.6
128.06219	9.7
129.05475	6.8
129.07005	34.7
130.07756	2.9
131.04964	2.6
131.08569	52.6
133.06461	6.7
133.10130	46.1
135.08025	7.3
135.09027	2.6
135.11693	17.0
137.09679	5.1
141.06984	16.0
142.07785	6.5
143.08568	30.2
145.04921	2.6
145.06499	6.9
145.10130	41.4
147.08043	7.7
147.11670	31.3
149.09595	9.4
149.13243	11.6
151.07564	4.0
151.11179	5.2
153.06984	4.7
153.09100	2.7
154.07837	5.6
155.08560	30.0
156.09299	3.5
157.06451	4.1
157.10127	33.8
159.08060	5.7
159.11684	30.8
161.09579	4.9
161.13234	12.7
163.11232	5.2
165.06973	9.2
165.12729	3.8
166.07686	3.5
167.08611	17.0
168.09329	4.8
169.10112	26.8
170.10947	2.2
171.08095	7.2
171.11674	26.9
173.04501	20.0
173.09616	5.7
173.13239	16.3
175.11076	5.3
175.14844	5.3
177.12767	3.4
179.08545	8.0
180.09157	3.9
181.10071	21.2
183.08073	2.6
183.11681	26.4
185.09598	4.8
185.13300	13.2
187.11140	3.7
187.14824	6.1
189.11255	3.4
189.12773	3.2
192.09364	4.0
193.10081	12.7
194.11020	4.2
195.10103	3.9
195.11716	23.5
195.13478	3.5
197.09555	2.8
197.13268	21.3
199.11205	4.9
199.14807	9.4
201.12791	4.5
201.16362	5.4
207.11658	11.1
208.12439	3.5
209.13242	14.6
210.13957	2.5
211.11183	3.3
211.14819	11.6
213.16402	7.3
215.17979	2.7
217.10265	3.1
219.11734	3.4
221.13260	8.4
223.14868	11.8
225.12729	5.1
225.16382	8.6
226.74860	2.4
227.48477	2.5
229.19476	4.0
231.11690	3.9
233.13287	5.8
235.14839	7.3
237.16365	8.8
239.14276	4.2
239.18004	6.7
241.19522	5.6
247.14925	4.5
247.20477	3.0
249.16461	4.1
251.17931	5.5
255.17360	3.4
257.18979	10.5
259.20572	7.2
263.17905	3.3
265.19409	3.0
273.18448	6.8
275.20062	28.3
281.17325	3.5
287.20245	3.2
291.19638	6.5
292.19833	6.2
297.21979	5.5
311.20053	4.9
321.22241	2.9
325.21558	5.5
333.24289	3.7
339.23126	4.5
349.23785	9.3
351.22961	3.6
365.23099	2.8
367.22568	9.6
377.23996	3.0
377.28543	3.0
385.23730	5.7
393.27686	3.1
441.26096	3.8
445.30557	2.9
459.27081	3.9
513.35559	4.2
515.38397	9.2
527.37238	4.8
533.39551	4.4
538.36359	3.1
539.37524	2.7
565.39111	2.9
572.36169	8.4
589.42542	4.8
607.43542	86.7
608.43445	5.3
609.45203	3.6
619.43561	2.8
625.44147	5.1
671.41943	5.0
715.45691	5.7
733.46600	10.8
751.47296	8.7
769.48828	47.5
770.48071	3.0
799.72009	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71453	2.5
55.01872	9.2
55.05511	39.8
57.02735	2.8
57.03439	17.8
57.07078	5.2
61.02922	9.4
62.79261	2.8
63.08667	3.0
65.03924	5.3
67.05505	86.1
69.03432	38.4
69.07066	28.7
70.06625	2.9
71.04990	9.4
73.02911	6.0
77.03888	3.2
79.05492	75.8
81.03418	65.8
81.07057	100.0
83.04986	15.6
83.08615	11.4
85.02902	22.3
85.06554	3.4
91.03951	5.6
91.04908	5.7
91.05476	85.6
91.43956	2.8
91.63001	2.9
93.06473	5.2
93.07043	74.1
95.04965	22.7
95.08604	65.7
97.02888	23.0
97.06526	13.9
97.10173	6.8
99.04450	8.4
99.08092	4.7
103.05483	3.6
105.07029	81.6
107.04974	7.4
107.08594	39.6
109.02876	11.7
109.06548	7.7
109.10155	21.9
109.13771	2.6
111.04470	2.6
111.08092	4.4
115.05450	7.6
117.07018	43.2
119.08578	53.0
121.06481	5.5
121.10141	24.3
123.04424	4.6
123.08051	4.3
123.11738	6.0
123.19485	2.9
125.09656	5.4
127.03906	16.6
128.06229	9.9
129.05470	4.8
129.06984	25.2
130.07722	3.8
131.08577	43.6
133.06471	6.2
133.10123	42.6
135.08089	5.9
135.11728	15.8
141.06987	14.7
142.07800	6.7
143.08577	30.5
145.06392	6.7
145.10118	42.8
147.08069	6.4
147.11699	22.5
149.05939	2.9
149.09645	7.9
149.13261	8.4
155.08549	20.3
156.09349	3.0
157.06482	3.0
157.10114	21.6
159.08060	8.1
159.11681	27.2
161.09624	6.2
161.13251	7.9
163.11110	3.4
163.14825	3.5
166.07817	3.5
167.08559	13.5
168.09384	5.9
169.10120	20.1
171.08067	4.6
171.11742	25.0
173.04436	31.3
173.09688	3.4
173.13278	10.8
175.11174	5.8
179.08508	7.7
181.10143	14.6
183.08107	3.1
183.11737	22.7
184.07474	3.1
185.09668	4.9
185.13194	15.5
187.07510	3.4
187.11276	4.3
187.14880	8.1
191.08653	2.6
193.10127	9.2
195.11717	15.4
195.13403	2.7
197.13248	14.4
199.11160	5.1
199.14835	7.4
205.10199	3.5
207.11716	7.4
209.13269	18.0
211.14868	10.2
221.13301	7.6
223.14917	6.0
235.14891	5.4
237.12735	3.5
237.16434	4.4
241.19571	4.1
257.19006	5.8
259.20593	9.6
263.20169	3.8
265.19394	3.5
269.17377	3.4
273.18503	4.6
275.20111	18.2
293.26962	3.3
301.21707	3.9
313.21722	4.8
315.23096	5.6
325.21536	6.3
349.23859	6.9
367.22549	6.3
385.23691	3.3
403.25305	3.1
441.26382	5.7
515.38751	7.1
607.43622	63.7
608.43445	4.3
635.39850	4.7
653.39862	4.6
671.41388	8.3
715.45386	4.1
733.46124	5.2
751.07971	3.1
751.47949	5.4
769.48730	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	769.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.6
55.05508	48.3
57.03425	16.4
57.07077	7.4
61.02925	13.0
65.03934	10.8
67.05502	100.0
69.03417	32.4
69.07056	40.4
71.04996	9.3
73.02919	7.4
79.05491	83.0
80.11214	2.9
80.40273	3.1
81.03411	48.6
81.06583	4.9
81.07057	92.2
83.04977	21.2
83.08615	21.1
85.02891	22.9
85.06534	7.0
87.04494	3.5
91.03951	3.7
91.05479	84.1
93.07043	83.6
94.88033	3.0
95.04972	26.7
95.08606	60.0
95.09172	6.3
97.02884	23.6
97.06515	13.6
97.10165	16.1
99.04405	7.2
99.08121	4.0
101.02382	4.8
102.96365	3.1
103.05462	7.1
105.07022	77.9
107.04978	14.6
107.08585	52.6
109.02869	15.9
109.06538	12.2
109.10149	33.2
111.04431	8.2
111.08091	6.8
115.05448	7.6
117.07014	44.0
119.08566	58.1
121.06513	9.8
121.10139	27.2
121.10954	4.0
123.04408	5.2
123.08063	11.1
123.11710	10.0
125.09620	8.9
127.03907	13.7
128.06261	9.9
129.05547	6.6
129.06987	27.5
131.08569	42.3
133.06541	8.9
133.10141	37.1
135.08043	13.9
135.11685	15.6
137.09660	9.8
137.13274	4.1
141.06967	14.7
142.07753	6.6
143.08551	32.5
145.06422	7.9
145.10120	45.6
146.10849	3.2
147.08101	9.0
147.11690	31.1
149.02330	4.7
149.09637	9.8
149.13272	8.2
151.11174	5.0
153.06964	5.8
154.07770	4.5
155.08562	20.7
156.09363	3.9
157.10101	27.5
159.08075	4.6
159.11693	26.6
161.09610	7.7
161.13289	12.7
163.11208	5.4
165.07077	4.5
165.12740	3.4
166.07761	4.3
167.08582	11.8
168.09378	3.9
169.10104	26.7
171.11703	26.4
172.12097	3.3
173.04503	14.9
173.09589	4.6
173.13260	15.2
175.11121	5.6
175.14873	4.0
177.12717	4.8
179.08609	10.4
180.09282	4.9
181.10143	19.3
182.10968	3.5
183.11652	19.3
185.09612	6.8
185.13258	14.1
187.11217	4.8
187.14856	10.8
189.11188	5.2
189.12750	6.9
193.04965	3.5
193.10135	10.0
194.10950	5.3
195.11681	19.8
197.13240	18.4
199.11218	4.9
199.14955	4.5
201.12740	4.3
206.10735	3.4
207.11710	10.4
209.13188	16.7
211.14810	10.2
213.12753	3.5
213.16444	4.8
215.14381	4.0
217.10138	3.7
219.11732	4.9
221.13307	10.2
221.15454	3.9
223.14841	11.9
229.14232	4.7
235.14809	9.1
237.16367	5.7
239.17879	6.5
241.19550	3.9
245.13504	4.2
247.14789	4.3
251.17877	4.8
257.19043	8.6
259.20670	8.1
265.19528	4.3
273.18439	5.7
275.20139	23.8
291.19562	7.9
292.19897	4.7
309.22098	4.0
347.22412	4.0
349.24213	5.0
351.23346	3.6
367.22699	6.5
385.23676	4.7
387.25241	3.5
403.24683	5.4
445.30887	3.7
515.38232	10.0
533.39728	6.8
551.40607	6.3
572.36548	8.9
589.42267	7.8
607.34100	5.7
607.43457	74.9
625.44513	7.0
715.45331	5.7
733.45715	9.9
751.47290	9.5
769.49048	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
54.97668	0.8
55.05508	1.9
55.35674	0.8
57.03432	2.3
57.07071	0.9
61.02928	7.8
65.03915	1.1
67.05505	7.2
69.03448	4.8
69.07062	3.3
70.16747	0.9
71.04999	2.9
71.58110	1.0
71.58566	1.1
73.02917	4.5
79.05501	4.2
81.03429	3.0
81.07047	9.2
83.08627	1.8
85.02907	7.4
91.03953	4.3
91.05492	6.2
93.07046	4.4
95.08611	3.8
97.02894	6.0
99.04470	1.4
101.02394	3.2
105.07040	2.7
107.08604	3.8
109.10159	2.8
113.80759	1.1
119.08627	2.5
121.10197	1.8
123.11678	1.0
127.03895	1.6
131.08543	1.0
133.10152	2.6
135.11658	1.3
147.04420	1.6
147.11705	1.3
212.47470	1.0
213.50693	1.0
229.85474	1.0
243.08452	1.2
267.15906	2.0
282.38315	1.0
485.23459	5.1
496.38223	1.0
519.29309	10.2
540.13300	1.0
545.04919	1.0
552.31158	1.0
729.19891	1.1
763.45996	100.0
764.45911	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	762.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
56.05030	0.6
58.06624	0.4
60.08156	5.5
67.05496	0.6
70.84544	0.3
71.07368	3.2
71.59089	0.7
79.05478	0.7
81.03407	0.7
81.07021	0.8
81.85448	0.4
83.08620	0.4
84.93561	0.3
86.09701	26.3
87.10048	0.6
91.05466	0.4
93.07034	0.7
95.05013	0.4
98.97845	0.4
98.98466	3.4
104.10724	2.2
105.07018	0.3
107.08637	0.4
125.00002	16.8
126.15252	0.3
126.71465	0.3
132.22423	0.3
143.01031	0.5
147.04337	0.4
174.24550	0.3
184.07333	100.0
185.07664	0.8
267.15823	0.7
297.15970	0.3
337.27283	0.4
447.43948	0.4
467.61746	0.4
519.59656	0.4
712.45325	3.7
763.40277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.7
58.06603	0.6
60.07882	0.5
60.08163	6.2
67.05490	1.1
69.07035	0.4
71.07379	3.4
71.58434	0.3
71.58794	0.3
79.05482	0.7
81.03397	0.9
81.07034	1.1
86.09702	31.2
91.05463	0.5
93.07045	0.4
95.08595	0.9
98.98451	3.1
104.10732	1.7
105.07014	0.4
109.10130	0.4
119.08487	0.4
124.99996	21.2
135.11719	0.3
136.06213	0.9
143.00980	0.3
147.04443	0.4
184.07332	100.0
185.07735	0.8
267.15839	0.3
287.32053	0.3
397.39139	0.3
525.03333	0.3
528.88477	0.3
529.39307	0.3
646.34875	0.3
708.61957	0.3
712.45605	3.5
762.41199	0.7
763.41309	0.7
774.37073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01859	0.4
55.05509	1.9
57.03422	1.2
60.08149	0.5
61.02933	0.5
65.03937	1.9
67.05511	1.8
69.03426	7.2
69.07058	0.4
70.05971	2.0
70.06586	0.7
71.01350	0.5
71.04979	1.8
75.04470	2.2
79.05489	3.5
81.03404	1.5
81.07066	2.2
83.04979	7.1
85.02901	6.4
86.09712	2.7
88.15392	0.4
89.65061	0.3
91.05468	4.4
92.05004	7.5
92.23240	0.4
93.07042	21.3
95.04957	2.8
95.08588	1.3
97.02888	0.9
98.21447	0.6
99.04449	1.5
105.04459	0.6
105.07026	2.6
107.08597	2.2
109.02872	1.7
109.06477	0.6
109.10151	0.8
111.04433	6.1
111.08070	1.9
112.32042	0.4
119.08575	1.7
120.04459	100.0
121.04786	0.8
121.06476	0.8
121.10139	14.1
123.08040	0.4
123.11718	0.5
125.00002	1.5
127.03852	0.4
129.05479	2.9
129.07013	0.9
130.06508	1.2
131.08548	1.2
132.04434	3.5
133.05132	0.5
133.10100	0.9
134.05980	1.8
135.08078	0.5
138.05495	0.9
139.11159	0.6
143.08508	0.5
145.10081	0.5
146.06004	1.2
147.07957	0.5
148.03908	4.3
149.09618	3.4
150.05507	5.5
156.08116	1.8
158.06009	0.9
159.06810	0.6
159.11736	0.4
160.03905	0.4
160.07588	0.5
162.05508	1.5
167.10693	4.3
170.06003	1.6
172.07567	0.9
174.05502	1.8
174.09055	0.4
176.07077	1.1
180.77017	0.4
183.06824	0.5
184.07487	18.8
186.05452	2.1
186.09137	1.3
188.07080	1.5
190.04996	0.8
198.28635	0.4
200.07085	1.4
202.08655	2.0
204.06578	1.8
210.09161	0.5
212.07063	16.1
213.07542	0.6
214.08658	0.6
219.56116	0.4
230.08118	38.7
240.13855	0.6
248.09171	12.8
254.08043	0.6
266.10223	28.0
266.83023	0.4
267.10754	0.5
268.13321	1.7
278.10114	0.6
286.14310	0.6
295.15417	7.1
308.11447	0.5
310.14438	0.4
313.16458	1.4
376.13702	1.9
378.17117	0.6
396.18274	1.0
414.19016	2.5
432.20114	1.3
453.59885	0.4
498.21368	0.7
524.23059	0.7
542.24042	0.7
560.24927	2.1
569.13379	0.5
574.07971	0.4
578.25873	1.3
762.40717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.9
55.05498	2.1
57.03425	1.9
65.03931	2.7
67.05490	1.6
69.03427	6.4
69.07087	0.7
70.03439	1.0
70.03836	2.2
71.04984	1.5
75.04472	1.6
79.05486	5.5
81.03395	0.8
81.07056	2.5
83.04977	6.7
85.02897	5.0
86.09689	3.8
91.05491	5.1
92.05009	7.1
93.07041	20.8
95.04968	2.9
95.08615	1.4
97.02926	1.0
98.21394	1.0
99.04474	1.5
104.10741	0.7
105.07012	3.8
107.08580	2.8
109.02880	2.1
109.10169	0.7
111.04428	5.4
111.08055	2.2
119.08559	2.5
120.04462	100.0
121.04822	0.9
121.06497	1.0
121.10143	14.0
123.08072	0.9
125.00032	3.0
129.05476	2.7
131.08617	1.0
132.04445	3.1
133.10146	1.1
134.06009	2.1
136.06247	0.9
138.05550	0.7
146.05981	1.3
148.03897	5.1
149.09605	3.3
150.05508	4.6
156.08057	0.7
158.06071	0.8
158.09680	0.7
159.06718	0.8
162.05505	2.1
167.10698	3.9
170.06116	1.2
170.52657	0.6
172.07573	1.3
174.05521	1.9
176.07098	1.0
184.07471	22.1
185.45082	0.7
186.05475	2.2
188.07092	1.0
190.05032	1.2
200.07031	1.1
202.08641	1.2
204.06508	1.1
212.07057	18.7
212.09012	1.3
216.06683	0.8
224.92674	0.6
228.46428	0.6
230.08118	38.6
231.08504	0.8
248.09181	14.0
266.10217	29.2
268.13351	2.0
275.76581	0.8
287.27448	0.6
295.15402	7.5
310.14111	0.9
313.16302	1.1
376.13867	1.8
378.16922	1.0
396.18130	1.3
414.19080	2.1
432.20331	1.0
520.97925	0.8
524.22699	1.0
526.24127	0.7
542.23737	1.1
560.25031	2.3
578.26001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.05498	0.7
56.15982	0.2
57.03433	1.1
58.36542	0.2
61.02924	5.8
63.42558	0.2
67.05507	1.1
69.03429	2.2
69.07056	0.3
70.06597	0.5
70.63932	0.5
71.04997	0.3
72.08149	0.3
72.28103	0.2
73.02923	2.6
74.74307	0.2
78.30329	0.2
79.05491	1.2
81.03416	9.5
81.07063	1.2
83.01336	0.3
83.04987	0.5
83.08614	2.7
85.02903	6.0
88.05422	0.2
91.01678	0.2
91.03954	3.3
91.05486	1.5
93.07037	0.8
95.04957	2.9
95.08589	0.3
95.59891	0.2
97.02889	4.2
101.02374	0.4
105.07038	1.0
107.04951	0.8
107.08607	0.3
109.02961	0.4
109.10157	0.2
110.02440	0.3
111.04451	0.5
111.08090	1.2
112.23916	0.2
114.10309	0.2
115.03857	0.2
119.03534	0.6
119.04919	0.2
119.08576	1.0
120.57030	0.2
121.10145	0.5
127.03925	1.1
128.06311	0.2
129.05475	0.2
129.06984	1.0
131.08522	1.0
133.06514	0.5
133.10133	0.7
136.06183	100.0
137.04593	1.0
145.04950	0.8
147.04468	0.2
147.08018	0.3
147.11681	0.9
148.06123	0.3
149.09622	0.5
157.10129	1.2
163.05984	0.3
165.12830	0.3
175.11165	1.6
177.05548	0.3
177.12521	0.2
178.07243	0.8
183.18050	0.2
193.12242	7.8
211.13310	1.2
267.15921	4.3
285.16974	4.0
309.16965	0.3
346.18701	0.7
398.74948	0.2
420.17960	0.1
420.22379	7.1
438.23486	12.7
564.25470	0.2
582.27637	4.8
600.28723	10.4
601.28809	0.4
695.50116	0.2
718.30243	0.3
744.33130	2.8
762.34180	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	762.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
55.01860	0.3
55.05503	0.4
56.37754	0.1
57.03429	0.6
61.02644	0.3
61.02924	3.7
67.05497	0.8
69.03432	1.2
69.35079	1.8
70.06596	0.9
71.04963	0.3
72.08158	0.4
73.02911	1.6
75.04463	0.2
79.05486	0.8
81.03414	6.8
81.07037	0.5
83.04961	0.4
83.08620	1.7
84.04481	0.2
84.08141	0.3
85.02902	4.4
85.42843	0.2
86.09673	0.4
91.03963	2.0
91.05473	1.5
93.07044	0.6
94.24030	0.2
95.04967	2.2
97.02886	3.1
97.06539	0.2
98.21094	0.8
101.02332	0.2
103.05481	0.3
105.07018	0.7
106.04143	0.2
107.04967	0.4
107.08569	0.4
108.49284	0.2
109.05103	0.2
109.10096	0.2
111.04445	0.2
111.08091	0.8
115.03983	0.2
115.05447	0.2
119.03555	0.7
119.08589	0.9
120.08094	0.4
121.06484	0.4
121.10128	0.4
127.03927	0.8
129.07021	0.4
129.10216	0.2
131.08556	0.4
133.06519	0.4
133.10124	0.3
133.17992	0.2
136.06178	100.0
137.04611	1.2
137.05666	0.3
137.09599	0.2
145.04958	0.5
147.04337	0.3
147.11708	0.5
149.06012	0.6
149.09616	0.2
152.05679	2.5
153.04008	0.2
157.10152	1.0
161.04543	0.2
161.05933	0.3
163.06021	0.5
163.07455	0.3
165.12799	0.2
167.07088	0.4
174.07785	0.2
175.11206	1.2
177.05481	0.3
178.07256	0.2
181.08562	0.4
191.06985	0.3
193.08644	0.4
193.12218	5.1
193.13872	0.3
198.03307	0.2
207.13918	0.2
209.08034	1.7
211.13336	0.7
229.90398	0.2
267.15857	2.6
285.16962	5.6
298.11285	0.3
303.05017	0.3
309.16949	0.4
346.18600	0.5
363.17892	0.3
393.19452	0.2
420.22397	2.7
438.23444	3.3
477.15790	0.2
582.19086	0.3
582.27710	3.0
600.28772	2.4
744.32776	2.3
762.33972	1.3
763.20563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01869	0.1
55.05504	0.4
56.05038	0.1
57.03186	0.1
57.03442	0.5
61.02926	3.4
64.09209	0.1
67.05508	0.7
68.10402	0.1
69.03434	1.2
69.07063	0.3
70.06600	0.8
70.19793	0.3
70.20200	0.2
71.04978	0.2
72.08144	0.2
73.02916	1.1
75.45507	0.1
79.05492	0.8
81.03416	6.4
81.07041	0.6
83.04988	0.3
83.08620	1.5
84.04510	0.2
84.08125	0.2
85.02903	3.8
86.09691	0.2
91.03955	2.0
91.05485	1.1
93.07034	0.5
95.04961	2.1
95.08627	0.2
97.02889	2.7
97.07714	0.2
97.10169	0.1
99.04460	0.3
101.33473	0.1
105.06998	0.6
107.04948	0.5
107.08573	0.2
109.02896	0.2
109.06467	0.2
111.04410	0.3
111.08083	0.9
115.03914	0.3
119.03547	0.5
119.08588	0.7
121.10166	0.4
123.08044	0.1
123.11700	0.1
127.03928	0.8
129.07007	0.8
131.08548	0.6
133.06456	0.3
133.10112	0.3
136.06184	100.0
137.04596	0.9
137.05663	0.2
137.06706	0.2
137.09610	0.1
142.07761	0.2
145.04964	0.5
147.08055	0.3
147.11690	0.6
149.09581	0.4
152.05663	1.7
153.04079	0.2
157.10152	0.9
163.06056	0.3
163.82109	0.1
165.12665	0.2
167.07040	0.1
175.11195	1.0
177.05544	0.2
178.07179	0.3
193.12245	5.2
211.13332	0.7
235.13202	0.1
259.08942	0.1
267.15903	3.0
276.86731	0.1
285.16974	4.2
298.11520	0.4
304.05005	0.2
309.17093	0.4
346.18793	0.4
363.17825	0.2
420.22415	2.8
438.23453	2.6
446.94040	0.2
582.27747	2.3
600.28857	2.0
744.32874	2.0
762.34308	1.1
781.19788	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	761.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01873	1.2
57.01054	0.7
57.03434	2.1
61.02895	0.8
69.03419	3.2
69.59405	6.0
70.06597	1.2
70.69057	0.7
72.08150	3.4
79.05495	1.8
81.03414	3.4
84.04523	0.8
84.08149	0.8
85.02898	7.8
86.09725	1.2
91.05494	1.8
95.04967	2.7
97.02914	4.1
97.07652	1.5
98.21474	1.7
103.03921	0.9
107.04957	100.0
108.05269	1.2
109.02879	1.2
110.02396	1.8
114.10288	1.7
121.02894	1.2
121.06541	1.5
125.05976	0.7
127.03953	1.6
131.04951	1.2
136.06178	13.1
137.06044	1.0
144.12874	0.8
145.02856	2.9
145.04971	1.0
145.06465	1.1
147.04391	1.3
149.05995	2.2
151.03860	1.3
152.07048	2.3
163.03928	1.8
171.04358	1.5
173.06052	0.9
175.03856	2.1
177.05457	6.8
177.76151	0.7
179.03419	0.8
181.04956	2.6
185.05980	1.2
187.03888	1.2
189.05418	2.5
191.03464	1.0
193.04976	3.0
194.09236	1.4
201.05518	1.2
205.04922	6.2
211.11821	1.0
213.05551	1.7
215.03426	0.8
217.04938	6.4
219.06528	2.2
221.04414	1.3
223.05962	1.8
229.05009	2.2
231.06595	1.7
235.06015	6.2
241.05043	2.3
243.06616	1.2
245.08147	0.9
247.06070	6.5
253.05173	0.9
255.06706	1.4
259.06015	8.2
271.05975	3.6
273.07678	1.0
277.07120	2.8
279.06378	0.9
283.06039	3.2
285.07434	0.8
286.33380	0.8
287.09308	1.6
289.07184	1.5
299.09076	1.9
301.07123	4.0
307.17474	1.0
311.08945	1.4
313.07120	2.0
317.10156	2.7
325.07013	2.0
329.10251	3.5
341.10156	7.2
343.08337	1.1
353.10077	4.0
359.11285	3.2
365.10178	3.9
375.14389	2.4
383.11194	8.4
389.10086	1.7
393.09564	1.0
395.11282	7.9
407.11276	6.7
413.12222	3.0
419.11142	5.2
425.12241	5.1
431.13388	10.2
443.13400	5.3
449.12167	4.3
454.10974	0.8
461.14389	6.1
467.13339	3.2
479.13690	2.7
483.22287	1.2
485.14444	6.2
491.13660	1.7
497.14432	6.3
502.43466	0.8
509.14429	3.2
527.15985	3.9
545.16248	3.3
563.17737	2.3
581.85345	0.9
717.29767	2.0
761.28461	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	760.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01855	4.3
55.05511	26.5
57.03436	18.5
57.07074	3.7
60.08152	7.2
61.02901	2.5
65.03930	4.2
66.26463	2.5
67.05175	4.0
67.05508	59.5
69.03423	5.6
69.07080	16.4
69.95978	13.6
71.04996	3.5
71.07351	2.7
79.05495	50.8
81.03416	100.0
81.07058	61.2
83.04974	7.7
83.08620	29.4
85.02892	5.8
86.09712	24.8
91.05471	39.2
93.07040	53.1
95.04977	37.3
95.08607	42.1
97.02883	6.3
97.06528	4.9
97.10188	3.2
98.98492	3.6
105.07024	31.6
107.04960	9.6
107.08599	21.9
109.06510	6.8
109.10159	18.3
111.08073	7.9
117.07013	12.7
119.08578	30.2
121.06570	4.0
121.10133	25.1
123.04485	3.3
123.08042	3.5
123.11684	5.4
125.00011	19.8
129.06998	13.9
131.08563	23.1
133.06487	3.1
133.10130	15.0
135.11685	10.6
137.09628	5.8
139.11230	3.8
142.07683	3.1
143.08644	5.2
145.10120	10.8
147.11687	15.8
149.09607	7.4
149.13277	7.4
157.10126	12.9
159.11688	9.0
161.13260	3.7
163.14931	3.5
171.11697	3.7
173.09570	3.3
173.13301	6.1
175.11241	11.5
184.07347	73.7
193.12241	32.6
211.13232	3.5
224.03828	3.3
227.12704	6.3
228.27635	3.1
235.13345	7.8
249.14911	3.3
261.22137	17.5
267.15909	72.5
285.16986	7.9
309.16953	9.6
317.24689	3.3
319.15842	2.9
335.22018	4.9
335.25824	63.5
375.18054	4.4
406.23566	3.4
435.32751	5.5
453.33481	4.9
471.34760	4.6
527.37274	36.0
545.38220	34.6
760.42975	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	760.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
56.04820	0.6
56.05037	5.8
58.40274	0.6
63.02859	0.7
65.03928	0.7
67.05499	4.9
69.03426	1.3
69.07061	1.7
69.94456	0.9
69.94871	2.4
70.06579	1.9
71.05000	1.4
72.08151	0.6
73.02918	1.4
74.77794	0.5
78.11257	0.5
79.05483	1.0
81.03440	0.6
81.07034	1.3
82.06569	4.7
83.05000	2.8
84.04506	1.7
84.08141	100.0
85.02884	1.9
85.06545	0.9
86.09676	1.1
90.31902	0.6
91.05476	12.2
93.07041	2.2
94.06539	1.1
95.04967	1.5
96.58480	0.5
97.02889	1.5
98.06067	0.6
98.09706	2.0
99.08096	2.5
101.10781	1.7
103.05461	1.5
105.07038	1.4
106.06582	1.1
107.04949	3.2
110.06052	1.2
110.90822	0.6
111.09216	2.2
112.07630	1.5
115.05482	0.6
116.04990	1.2
117.05746	1.1
117.06985	0.7
118.06544	14.1
119.04917	2.9
119.07326	2.1
119.08565	1.0
120.04498	4.0
120.08097	4.5
121.06516	1.1
121.10149	1.9
123.04467	1.6
126.05493	1.0
129.10239	34.0
130.06509	1.7
130.08684	0.9
131.04944	2.6
134.06009	2.8
134.09650	1.1
135.06757	0.8
136.06197	0.8
136.06561	0.8
136.07568	7.0
138.05455	1.3
139.08621	3.5
143.11795	1.0
145.06494	0.9
146.06010	21.5
147.04410	0.8
147.06924	0.6
155.08388	1.1
157.06528	1.0
158.06035	1.6
158.07254	0.7
160.07594	0.8
161.09572	3.3
162.05515	2.4
162.07672	1.7
165.05493	1.6
169.10104	1.5
171.08038	1.4
172.08810	1.0
172.11276	1.1
173.09639	2.8
182.08215	0.7
184.07446	1.1
184.11195	2.0
185.09639	1.2
186.05466	3.5
186.12794	4.3
190.12311	3.7
199.07597	1.3
200.08293	1.8
200.10709	6.0
201.09143	1.5
202.12312	4.0
204.08698	1.2
210.09195	1.0
211.07544	1.5
212.10719	1.6
216.10121	1.2
224.10738	0.9
226.08672	2.2
228.10194	18.6
230.08101	2.3
232.13274	1.3
236.10806	1.4
245.12959	0.9
247.14513	0.8
250.14426	1.5
254.08127	2.3
260.12778	1.4
266.10275	1.4
270.11142	3.1
272.13013	1.4
273.12393	1.1
290.15240	0.8
291.13470	1.0
293.15002	0.6
295.15408	0.7
299.10345	2.1
310.17563	4.6
311.17633	0.8
317.11307	2.1
328.13623	1.1
339.17099	0.8
345.39758	0.6
354.18204	0.8
365.14990	1.8
372.19446	1.0
373.15631	3.1
382.17764	1.9
384.19196	5.0
398.20782	1.1
401.14993	2.6
402.20444	0.6
405.18063	2.8
410.16980	4.4
423.19449	0.8
432.21335	1.8
433.17795	2.3
484.22470	1.2
520.24316	0.7
529.24622	2.9
533.28485	0.8
547.25690	1.6
561.26953	1.4
565.26440	2.1
582.22595	0.9
682.31512	0.7
693.29181	0.8
710.31732	13.9
714.35089	1.9
728.32550	3.5
742.34369	20.2
743.34570	0.9
760.35620	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	759.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
53.76623	0.6
55.05513	2.1
57.03436	1.6
60.08171	0.8
61.02935	4.2
62.36813	0.5
67.05503	5.7
69.03436	2.6
69.07067	2.3
73.02905	3.1
79.05484	7.3
81.03436	1.7
81.07050	5.5
83.04958	1.3
83.08627	1.1
85.02921	3.7
85.03355	0.6
86.09709	2.0
90.41177	0.6
91.03976	2.1
91.05466	5.1
93.07041	7.0
95.04984	1.6
95.08603	4.2
97.02885	3.3
97.06516	0.6
101.02394	1.6
103.03981	0.6
105.07021	5.0
107.04929	0.7
107.08601	3.0
109.06551	0.6
109.10168	0.9
117.07027	1.1
119.08570	3.3
121.10165	1.2
125.00043	1.3
127.03941	1.3
129.07002	1.3
131.08589	1.6
133.10133	2.6
135.11742	1.0
145.10170	1.0
147.11720	2.7
159.11717	0.6
161.13293	1.0
171.11734	1.0
175.14742	0.7
184.07304	6.0
185.04297	1.2
185.07724	0.7
229.36452	0.9
243.08522	2.4
254.44531	0.6
291.19669	0.8
301.08984	0.8
315.10693	0.9
335.25906	0.9
336.26181	0.9
337.55377	0.6
345.17130	0.7
465.20963	10.1
495.57852	0.6
535.28839	6.1
537.22748	1.1
562.38196	1.2
759.42859	100.0
760.43396	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	759.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.05511	3.5
56.66348	0.6
57.03430	2.2
57.07067	0.6
58.05289	0.5
61.02926	5.2
64.45837	0.5
67.05502	8.5
69.03424	2.7
69.07061	2.2
69.32125	6.0
71.01353	0.5
73.02927	3.4
79.05491	7.7
81.03419	3.7
81.07059	7.2
83.04984	1.3
83.08622	1.6
85.02910	4.3
86.09737	1.4
87.04517	0.7
91.03957	3.0
91.05477	7.2
93.07043	8.2
94.07386	0.6
95.04977	2.4
95.08612	5.4
97.02877	4.2
97.10179	0.8
99.04437	1.0
101.02393	1.9
105.07029	3.9
105.98505	0.6
106.07377	0.5
107.04923	0.5
107.08598	4.0
109.02782	0.7
109.10165	1.4
111.04424	0.7
117.07044	1.8
118.21973	0.6
119.08586	4.9
121.10156	2.6
125.00034	0.9
127.03926	1.4
129.05524	1.0
129.06996	1.6
131.08577	1.5
133.09196	0.6
133.10143	2.3
135.11693	1.6
143.08591	1.0
145.05049	0.5
145.10138	1.8
147.11630	3.1
149.13342	1.0
159.11736	0.9
163.11180	1.0
171.11699	1.1
184.07298	4.0
185.04370	0.7
221.55864	0.6
243.08519	2.9
247.13095	1.2
283.15570	1.3
293.21021	0.6
301.08954	1.6
301.16565	0.8
303.15762	0.7
315.10706	0.7
335.25949	1.6
336.26013	0.8
369.89249	0.6
465.20935	10.8
495.22348	1.3
535.28857	7.7
537.23297	1.3
562.38214	2.2
759.42853	100.0
760.43304	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	759.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.2
55.01872	3.3
55.05500	2.8
57.03440	2.4
65.03944	14.0
67.05507	4.1
69.03431	6.4
70.03960	6.5
70.06593	7.3
71.04984	5.6
72.08144	2.4
73.83469	1.2
77.03959	2.1
78.04706	2.4
79.05489	8.5
81.03426	6.4
81.07063	3.9
82.04215	3.1
82.06557	1.7
83.04971	1.4
84.08131	3.7
85.02904	11.1
86.09702	2.6
89.03912	1.7
91.05470	11.3
93.03394	2.5
93.07026	11.2
95.01329	2.0
95.04966	5.5
97.02885	18.9
97.06544	1.5
98.09695	1.5
98.20852	2.8
98.21418	2.4
99.04414	1.6
100.11265	3.7
103.05470	5.7
105.07016	7.9
106.04188	2.8
107.04954	9.3
107.08627	1.5
109.02924	3.2
110.03654	13.0
110.07227	1.3
111.04437	19.8
115.05473	5.5
117.03381	2.1
117.07075	1.5
119.04933	4.3
119.08590	3.3
121.02860	2.2
121.06504	6.1
121.10119	7.2
123.04416	5.2
124.03934	1.3
124.05167	1.8
125.05988	15.3
127.03934	2.3
128.06244	2.3
129.07024	6.1
129.10207	1.6
131.04903	8.2
131.08545	1.7
132.05733	2.6
133.06529	6.7
135.04424	2.2
137.02339	4.5
137.05936	7.8
141.06961	2.3
143.08575	1.4
145.02852	1.9
147.04410	24.1
147.08040	2.0
147.11797	1.3
148.04733	8.3
149.05991	7.4
149.09631	5.1
151.07594	1.9
153.01859	3.8
153.05467	61.6
153.09039	1.8
159.08078	5.6
161.06004	7.4
163.03860	1.8
163.07593	3.2
165.01830	1.6
165.05606	1.5
165.06970	1.9
167.07034	39.9
169.06470	1.8
174.06744	1.5
175.03941	2.6
175.07498	7.4
176.04771	1.6
177.05498	10.3
179.07091	3.1
181.04980	1.7
181.08614	5.0
185.05910	2.6
186.06752	2.7
187.07527	8.8
189.05496	3.7
189.07071	2.4
189.09018	2.0
190.07803	2.3
191.07036	4.9
191.08566	5.3
193.08626	3.6
199.07603	4.2
201.05373	2.1
202.07808	3.9
203.08620	4.2
205.06544	3.3
206.07211	3.2
207.06416	2.3
207.08131	2.3
208.08929	1.5
209.08089	10.0
210.14928	2.2
215.06911	2.0
216.07796	7.7
218.07291	6.0
219.08070	11.1
219.10193	3.7
220.06046	3.6
220.08847	3.9
220.67564	1.6
221.05977	3.6
221.09633	2.6
223.07503	2.0
229.08638	7.4
231.08162	3.0
231.47003	1.4
233.05995	2.1
233.09566	2.8
234.06827	2.5
235.07585	7.1
236.08334	5.7
237.08951	2.1
246.06693	2.1
247.07562	6.7
248.08252	4.0
249.09111	5.3
250.10013	1.8
251.06891	2.1
251.10732	10.4
259.07602	2.9
261.05408	2.1
261.09305	3.2
262.09839	2.3
263.07043	4.2
263.10532	1.8
264.07822	10.4
265.08588	10.3
266.09500	1.8
267.10062	1.4
273.09305	1.8
275.06989	4.5
276.07813	8.7
277.05353	2.0
277.08588	5.8
278.09384	4.9
279.06818	1.5
279.10168	9.6
280.07324	1.9
280.10724	2.0
281.08215	2.3
281.11731	4.8
287.05502	18.6
288.05725	8.9
289.05936	3.4
289.08755	3.4
291.10223	3.2
292.07404	1.9
293.08038	4.6
294.08780	1.8
295.09589	3.2
296.42551	1.3
299.05423	2.5
303.04947	18.2
304.07471	2.3
305.08090	2.0
306.08871	3.1
307.09601	33.8
308.10443	9.3
309.11227	6.2
311.12704	3.1
315.05005	3.2
319.09628	7.5
321.11127	3.5
323.12753	5.0
324.09995	1.8
326.11411	1.5
327.04984	1.9
337.10736	2.1
339.12277	100.0
340.12775	2.3
341.13824	10.8
342.23846	2.9
351.12250	20.1
351.24435	13.6
351.74503	7.7
352.13065	3.8
406.94644	1.5
481.11255	8.8
511.12460	9.1
759.54578	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	759.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.2
55.01872	3.3
55.05500	2.8
57.03440	2.4
65.03944	14.0
67.05507	4.1
69.03431	6.4
70.03960	6.5
70.06593	7.3
71.04984	5.6
72.08144	2.4
73.83469	1.2
77.03959	2.1
78.04706	2.4
79.05489	8.5
81.03426	6.4
81.07063	3.9
82.04215	3.1
82.06557	1.7
83.04971	1.4
84.08131	3.7
85.02904	11.1
86.09702	2.6
89.03912	1.7
91.05470	11.3
93.03394	2.5
93.07026	11.2
95.01329	2.0
95.04966	5.5
97.02885	18.9
97.06544	1.5
98.09695	1.5
98.20852	2.8
98.21418	2.4
99.04414	1.6
100.11265	3.7
103.05470	5.7
105.07016	7.9
106.04188	2.8
107.04954	9.3
107.08627	1.5
109.02924	3.2
110.03654	13.0
110.07227	1.3
111.04437	19.8
115.05473	5.5
117.03381	2.1
117.07075	1.5
119.04933	4.3
119.08590	3.3
121.02860	2.2
121.06504	6.1
121.10119	7.2
123.04416	5.2
124.03934	1.3
124.05167	1.8
125.05988	15.3
127.03934	2.3
128.06244	2.3
129.07024	6.1
129.10207	1.6
131.04903	8.2
131.08545	1.7
132.05733	2.6
133.06529	6.7
135.04424	2.2
137.02339	4.5
137.05936	7.8
141.06961	2.3
143.08575	1.4
145.02852	1.9
147.04410	24.1
147.08040	2.0
147.11797	1.3
148.04733	8.3
149.05991	7.4
149.09631	5.1
151.07594	1.9
153.01859	3.8
153.05467	61.6
153.09039	1.8
159.08078	5.6
161.06004	7.4
163.03860	1.8
163.07593	3.2
165.01830	1.6
165.05606	1.5
165.06970	1.9
167.07034	39.9
169.06470	1.8
174.06744	1.5
175.03941	2.6
175.07498	7.4
176.04771	1.6
177.05498	10.3
179.07091	3.1
181.04980	1.7
181.08614	5.0
185.05910	2.6
186.06752	2.7
187.07527	8.8
189.05496	3.7
189.07071	2.4
189.09018	2.0
190.07803	2.3
191.07036	4.9
191.08566	5.3
193.08626	3.6
199.07603	4.2
201.05373	2.1
202.07808	3.9
203.08620	4.2
205.06544	3.3
206.07211	3.2
207.06416	2.3
207.08131	2.3
208.08929	1.5
209.08089	10.0
210.14928	2.2
215.06911	2.0
216.07796	7.7
218.07291	6.0
219.08070	11.1
219.10193	3.7
220.06046	3.6
220.08847	3.9
220.67564	1.6
221.05977	3.6
221.09633	2.6
223.07503	2.0
229.08638	7.4
231.08162	3.0
231.47003	1.4
233.05995	2.1
233.09566	2.8
234.06827	2.5
235.07585	7.1
236.08334	5.7
237.08951	2.1
246.06693	2.1
247.07562	6.7
248.08252	4.0
249.09111	5.3
250.10013	1.8
251.06891	2.1
251.10732	10.4
259.07602	2.9
261.05408	2.1
261.09305	3.2
262.09839	2.3
263.07043	4.2
263.10532	1.8
264.07822	10.4
265.08588	10.3
266.09500	1.8
267.10062	1.4
273.09305	1.8
275.06989	4.5
276.07813	8.7
277.05353	2.0
277.08588	5.8
278.09384	4.9
279.06818	1.5
279.10168	9.6
280.07324	1.9
280.10724	2.0
281.08215	2.3
281.11731	4.8
287.05502	18.6
288.05725	8.9
289.05936	3.4
289.08755	3.4
291.10223	3.2
292.07404	1.9
293.08038	4.6
294.08780	1.8
295.09589	3.2
296.42551	1.3
299.05423	2.5
303.04947	18.2
304.07471	2.3
305.08090	2.0
306.08871	3.1
307.09601	33.8
308.10443	9.3
309.11227	6.2
311.12704	3.1
315.05005	3.2
319.09628	7.5
321.11127	3.5
323.12753	5.0
324.09995	1.8
326.11411	1.5
327.04984	1.9
337.10736	2.1
339.12277	100.0
340.12775	2.3
341.13824	10.8
342.23846	2.9
351.12250	20.1
351.24435	13.6
351.74503	7.7
352.13065	3.8
406.94644	1.5
481.11255	8.8
511.12460	9.1
759.54578	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	759.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01866	0.6
55.05493	1.3
57.03439	2.8
59.39567	0.3
61.02913	0.4
65.03915	0.5
67.05486	1.4
68.99789	0.7
69.03428	4.4
69.07056	0.4
69.18008	0.3
70.06567	1.5
71.04993	12.8
72.08162	0.4
73.02906	0.5
75.04451	1.1
79.05485	6.2
79.63827	0.3
80.05012	0.4
81.03410	4.4
81.07047	1.5
83.04976	1.6
84.08143	0.6
85.02902	15.0
86.09700	0.6
87.04472	0.8
91.05468	6.6
93.07046	22.7
95.04977	3.9
95.08606	1.4
97.02898	3.1
97.06519	0.4
98.21540	0.7
99.04436	1.2
103.05492	0.7
105.07035	4.4
106.02901	0.8
107.04943	1.1
107.08595	6.1
109.02862	2.4
109.06511	1.1
109.10124	0.4
111.00779	0.7
111.04434	1.4
117.07003	0.8
119.04943	0.6
119.08564	2.8
121.02854	1.5
121.06497	1.5
121.10139	24.2
122.10478	0.5
123.04383	0.7
123.08065	0.8
124.03952	0.4
127.03924	3.3
129.05460	2.5
129.07016	1.1
131.08580	2.6
133.10123	0.5
135.04385	0.5
135.08078	0.8
137.02333	9.8
137.03421	0.7
137.05980	1.6
139.11163	0.7
141.01874	0.5
145.02750	0.5
145.06516	0.8
145.10103	0.6
147.04399	1.5
147.11694	0.5
149.02333	0.8
149.09621	13.7
153.01852	3.0
153.05524	0.4
157.10088	0.5
161.05974	0.9
161.09688	0.5
161.52341	0.4
162.07629	0.5
163.03897	1.4
163.07510	0.6
163.11226	0.5
165.01805	2.6
165.09085	0.6
167.07011	1.5
167.10678	1.6
175.03923	0.5
177.05424	1.4
183.02872	1.1
187.03914	0.5
189.09140	0.6
191.06967	0.7
191.10660	1.0
199.03984	0.7
201.05470	1.5
205.04660	0.5
207.06537	0.4
213.05476	0.4
229.04979	3.4
241.04980	0.8
252.70235	0.4
257.04330	2.3
274.04681	0.4
285.03836	1.0
287.05472	1.1
289.84619	0.4
293.13834	4.3
295.15271	0.5
299.05450	0.6
302.04346	0.5
303.04990	100.0
304.05225	2.1
311.15005	2.5
315.04971	24.5
316.05566	0.8
327.04886	1.5
329.06595	1.1
339.05005	0.8
345.06195	2.6
353.06488	0.9
355.04276	0.5
355.08298	0.6
357.05908	0.9
361.02496	0.6
362.02603	0.5
363.02737	0.6
369.06116	0.6
413.08792	0.5
423.07056	0.9
423.14502	0.6
431.09906	0.6
449.10657	1.9
451.13876	2.7
457.78525	0.5
469.15228	0.6
478.81064	0.5
521.11951	0.4
577.16693	1.0
595.18115	0.9
596.37244	0.4
613.18829	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01870	0.9
55.05497	1.4
56.05019	0.6
57.03434	3.4
59.04988	0.4
60.04524	0.4
60.26907	0.3
61.02914	0.4
62.03467	0.3
65.03938	0.9
67.05493	1.2
68.99781	1.0
69.03420	3.8
69.07053	0.5
70.06592	9.5
71.04591	0.6
71.04992	13.0
71.58657	0.4
72.08160	2.7
72.35618	0.3
73.02911	1.1
75.04478	0.9
78.32100	0.4
79.05489	6.5
81.03424	4.5
81.07062	2.2
83.04977	1.2
84.04507	1.8
84.08150	0.6
84.58430	0.3
85.02905	14.9
86.09707	5.2
87.04462	0.8
88.03998	0.4
91.04958	0.6
91.05475	6.2
93.03392	0.3
93.07043	23.6
95.01340	0.4
95.04961	4.2
95.08593	1.6
97.02896	3.6
97.06523	0.5
98.06015	0.5
99.04441	0.9
101.07123	1.2
103.05465	1.4
105.04500	0.6
105.07040	4.0
106.07355	0.5
107.04918	0.9
107.08601	5.5
109.02882	2.4
109.06523	0.9
109.10139	0.8
111.00803	0.9
111.04414	1.2
111.08093	0.6
115.05437	0.8
117.06975	0.9
119.04912	0.8
119.08550	3.0
121.02866	1.2
121.06494	1.5
121.10143	24.9
122.10540	0.4
123.04436	0.9
123.08043	0.6
123.11694	0.5
124.03936	0.4
127.03922	3.4
127.04884	0.5
127.08722	0.5
129.05486	2.6
129.07010	0.6
130.06502	1.0
131.04930	0.5
131.08588	3.0
132.08046	0.8
133.06473	0.6
133.10112	0.9
135.04424	0.4
136.07542	0.4
137.02341	10.2
137.03363	0.4
137.05978	4.7
141.01816	0.6
141.10193	0.7
143.11769	1.0
145.02870	1.0
145.04987	0.6
145.10139	0.8
147.04427	1.6
147.08051	1.0
149.02377	1.1
149.05959	0.8
149.09621	12.1
151.03940	0.8
153.01837	3.9
155.08174	0.9
157.09962	0.4
159.04272	0.4
159.08063	0.6
159.09206	2.1
161.05962	1.2
161.09586	0.9
163.03856	1.8
163.07527	0.8
163.11160	0.6
165.01881	2.3
167.07042	2.9
167.10675	1.8
169.09772	1.3
169.13345	0.9
170.06090	0.4
171.02902	0.5
171.11264	1.2
173.05911	0.8
173.09613	0.7
175.03957	0.4
175.07436	0.5
177.05492	2.9
181.04959	0.9
183.02890	1.5
184.07347	0.9
187.03946	0.9
187.07430	0.6
187.11150	0.4
191.03429	0.4
191.06996	0.5
191.10666	0.9
193.04950	0.3
193.08624	0.8
195.02863	0.4
197.12799	0.4
199.10809	0.4
201.05473	1.5
203.06725	0.5
205.05026	0.4
207.06549	0.4
207.10138	0.4
217.04955	0.3
219.10255	0.6
229.04964	4.1
229.12228	0.4
240.13332	0.7
241.04977	0.5
247.06075	0.8
257.04398	2.5
259.13193	0.3
261.03778	0.4
274.04828	0.8
284.19763	0.6
285.03970	1.2
287.05457	0.8
293.13837	4.6
295.15485	0.6
299.05505	1.2
303.04990	100.0
304.05322	1.8
311.14786	2.7
315.04959	22.1
316.05588	0.9
317.06516	0.5
324.09760	0.4
327.04886	2.0
329.06491	0.8
329.10138	0.6
339.04700	0.8
341.06555	0.5
345.06113	2.8
353.06534	0.6
355.08136	0.7
355.23206	0.6
357.06006	0.9
369.05914	0.7
387.14349	1.2
395.11591	0.8
413.08453	0.8
423.07373	0.5
423.14215	0.8
431.09656	0.6
449.10803	1.5
451.13950	3.0
454.23325	0.9
463.60712	0.4
469.15259	0.7
493.15250	0.5
497.86731	0.4
577.17035	0.7
594.36151	0.4
595.17645	0.7
613.19043	1.2
727.95142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
54.86124	0.4
55.01862	2.5
55.05507	0.6
57.03420	1.2
57.69768	0.3
61.02914	1.3
65.74856	0.3
67.05487	0.5
68.99793	1.9
69.03425	8.2
70.06579	1.3
70.25613	1.2
70.26029	0.6
71.01351	0.4
71.04971	1.3
72.08144	0.7
72.66140	0.3
73.02908	1.7
79.05485	1.7
81.03413	9.4
81.07045	1.1
83.04993	0.4
84.08151	0.6
84.43398	0.3
85.02902	11.6
85.08444	0.3
85.17135	0.4
86.09707	0.7
87.00832	5.4
87.04438	0.3
89.03881	0.4
91.03946	0.5
91.05473	2.8
93.07040	1.8
95.01339	0.4
95.04965	1.3
97.02888	6.2
98.21058	0.7
99.04436	2.5
102.04659	0.6
103.05452	2.9
104.06234	1.2
105.01867	2.9
105.03378	0.6
105.07033	3.4
106.04189	0.4
107.04959	2.3
107.08565	0.5
109.02881	7.0
109.06516	0.4
110.03162	0.4
111.00772	0.4
111.04462	0.4
115.03953	0.3
115.05428	1.8
117.01868	1.1
117.03365	0.6
117.07012	0.3
118.04176	1.2
119.04927	0.9
119.08549	0.9
120.04500	0.5
121.02863	0.7
121.06526	1.7
121.10140	1.0
123.04436	0.6
124.03971	0.5
127.03912	8.8
129.01826	0.7
130.04143	1.2
131.04924	9.1
132.05708	9.3
133.02858	1.1
133.06517	3.0
134.62999	0.3
135.04396	1.1
136.06165	0.6
137.02322	0.8
137.05949	1.9
140.04697	1.2
145.04945	2.2
146.03619	2.3
147.02892	0.4
147.04413	2.3
148.05139	0.7
149.05971	2.4
149.09599	0.5
151.03801	0.7
151.07610	0.3
153.01825	5.9
154.06270	0.4
155.07071	0.4
156.58960	0.4
159.02887	3.3
159.04201	0.6
160.05235	3.0
161.05992	8.4
162.06616	1.6
163.03874	0.6
163.07613	0.8
165.01855	0.8
165.05402	0.7
167.03407	0.4
167.07045	6.8
171.02875	0.5
175.03960	1.0
176.04657	0.6
177.05457	4.8
178.06271	2.3
179.03433	1.7
179.07001	1.4
180.07819	1.6
181.08673	1.2
182.09346	0.8
183.02968	0.4
187.03943	0.6
189.05400	0.8
191.03383	0.6
191.07018	1.9
192.07808	9.0
192.09404	0.6
193.08560	0.9
201.05453	1.1
203.03479	0.9
207.06578	1.7
209.08020	0.5
210.08997	0.7
213.03700	0.5
214.52995	0.4
217.04930	6.5
218.05344	0.5
219.10165	0.5
227.03479	0.5
229.04961	3.1
230.05617	0.4
231.05038	0.7
237.05519	0.5
245.04454	7.6
246.04843	0.4
249.05544	0.4
257.04404	1.5
258.05148	0.9
265.05042	0.5
268.07254	0.4
269.04474	1.1
273.03937	12.5
274.04443	0.6
279.06647	0.5
281.07928	0.4
283.06024	0.5
285.03931	3.8
286.04739	0.9
287.05569	1.0
299.05603	1.0
301.03445	9.0
302.04196	4.6
303.04974	2.8
307.05954	0.5
311.05536	1.6
313.03534	1.6
315.04941	0.6
317.06583	3.6
317.21414	0.4
327.04953	4.9
329.06650	0.6
339.04968	4.6
345.07501	0.4
357.06000	3.0
372.06235	0.5
383.05246	0.4
390.07568	0.4
397.07175	0.4
401.06219	0.5
418.06860	1.2
419.07669	0.4
429.05719	0.5
433.09296	0.6
443.07651	0.7
445.27509	0.4
446.06451	0.7
461.08664	9.1
462.08911	0.6
481.11420	1.3
493.11292	5.0
511.12344	100.0
512.12695	5.1
553.13269	0.7
636.56915	0.4
759.42847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01872	1.7
55.05307	1.1
55.05516	14.7
56.32503	1.1
57.03435	5.8
57.07071	3.1
61.02911	3.3
65.03925	3.0
65.17203	1.3
67.05503	76.9
69.03420	3.3
69.07069	13.0
69.40299	8.7
69.40715	2.4
71.04989	19.8
73.02906	1.3
79.05490	37.5
81.03414	1.8
81.07053	100.0
83.04989	3.2
83.08631	8.9
85.02894	1.4
85.06554	7.8
86.09706	4.0
91.03960	1.4
91.05474	29.9
93.07043	43.3
95.04974	5.8
95.08602	30.6
95.11086	1.3
97.06511	4.3
97.10162	2.9
105.07017	18.9
107.08576	20.9
109.06514	2.3
109.10155	12.2
111.08082	1.6
117.07017	5.1
119.08588	9.1
121.10146	17.3
123.08047	1.5
123.11710	11.6
124.99983	2.1
125.09628	1.5
127.45535	1.2
131.08560	8.6
133.10117	16.3
135.11696	9.9
139.11185	1.3
145.10133	5.1
147.11720	4.4
149.13292	5.6
151.11203	6.4
159.11693	6.4
161.13251	1.9
173.13252	1.7
177.12755	2.0
183.13834	3.1
184.07373	12.3
187.13339	3.9
195.13768	2.3
213.68062	1.1
227.16441	2.7
243.20958	1.5
257.17398	1.8
259.20587	1.4
261.22119	2.3
269.17368	6.4
301.20087	19.4
324.46271	1.1
335.25766	24.9
411.32507	2.1
485.36124	3.4
503.37286	85.5
504.37460	4.7
517.38715	5.9
529.38879	15.0
561.41492	71.9
562.41663	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.9
55.01869	9.8
55.05507	27.4
57.03440	16.2
57.07089	3.3
61.02919	3.3
65.03957	3.1
67.05504	88.4
67.96453	2.3
69.03432	6.2
69.07069	41.7
71.04984	6.6
79.05063	4.2
79.05495	60.7
81.03407	14.5
81.07055	100.0
83.04987	13.3
83.08617	22.9
85.02916	5.6
85.06539	5.7
86.09721	4.6
91.05479	46.4
92.23255	2.3
93.07043	84.2
95.04953	13.7
95.08606	37.1
97.02875	4.1
97.06532	22.7
97.10172	11.4
99.08102	4.4
105.07024	29.4
107.04962	8.9
107.08598	56.4
109.06543	9.1
109.10168	10.6
111.04414	2.5
111.08100	10.9
113.09641	2.9
117.07046	17.3
119.08572	26.5
121.06467	4.4
121.10149	27.9
123.08082	4.7
123.11671	2.4
125.00011	2.4
125.09619	11.7
127.03896	3.2
129.07027	3.7
131.08549	19.9
133.06490	2.5
133.10118	22.0
135.08089	3.6
135.11678	18.5
142.49692	2.1
143.08615	3.5
145.10094	16.3
147.11722	11.3
149.09612	16.5
149.13263	34.4
157.10107	4.4
159.11697	25.1
161.13254	6.6
163.11244	12.0
169.10112	3.8
171.11673	4.3
173.13228	6.1
177.12788	9.3
179.14354	2.7
184.07368	20.3
189.11232	5.3
195.13818	17.9
213.14941	2.5
221.19580	2.3
227.12753	17.9
229.19603	2.3
239.18001	6.6
255.15973	6.9
257.19067	12.7
269.17480	93.3
275.20023	39.1
275.22757	2.9
293.21109	3.3
331.22690	2.6
349.23746	32.6
356.02869	2.5
423.27621	4.3
439.26730	3.8
447.31235	4.0
449.28979	18.3
463.30533	85.7
464.30798	4.4
503.33273	3.2
525.35803	4.8
543.36786	61.6
544.37317	3.0
561.37738	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	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.6
55.01860	11.0
55.05510	37.7
57.03434	15.3
57.07069	3.0
61.02914	5.0
67.05504	91.1
69.03413	7.3
69.06723	3.9
69.07066	47.8
71.04984	10.3
71.59421	5.7
79.05492	65.6
81.03414	16.6
81.06580	5.8
81.07053	100.0
83.04986	12.8
83.08609	20.4
85.02909	8.1
85.06541	3.3
86.09683	5.6
88.00181	3.0
91.05473	58.7
93.07040	86.0
95.04978	14.9
95.08605	40.4
96.08957	3.9
97.02902	6.4
97.06527	24.9
97.10139	17.5
98.78379	2.6
99.04469	3.0
99.08092	3.5
105.07034	41.3
107.04968	4.9
107.08584	58.2
109.02871	4.0
109.06507	8.8
109.10149	15.4
111.04439	2.6
111.08092	8.6
116.06206	2.7
117.07015	20.1
119.08578	26.1
121.06482	4.1
121.10131	28.7
123.08115	4.6
123.11650	5.4
124.99966	4.4
125.09612	13.6
127.03876	7.3
129.07007	6.8
131.08568	25.6
133.10135	28.2
135.08032	3.2
135.11662	14.8
137.09560	3.2
142.07771	2.9
143.08566	4.2
145.06479	3.4
145.10133	18.7
147.11685	14.1
149.09612	14.9
149.13252	36.9
151.07561	4.1
157.10117	4.4
159.11697	23.2
161.13240	6.1
163.11179	7.6
171.11662	6.5
173.13251	6.3
177.12737	9.3
183.11685	3.4
184.07315	13.2
185.13304	7.3
189.11250	8.4
193.12329	2.8
195.13795	18.0
199.16879	4.9
209.87897	2.5
210.15086	2.7
211.13199	4.3
213.14841	3.8
227.12775	26.6
257.18918	13.2
259.20554	4.3
262.18149	3.4
269.17450	85.7
270.17627	3.0
275.20020	42.9
285.17010	5.2
293.21118	3.2
331.22635	6.7
333.24152	3.7
339.18069	4.1
349.23773	33.1
365.23291	3.4
423.27496	3.1
439.27072	14.3
449.29019	5.2
463.30347	21.7
480.32959	2.9
525.35571	4.8
543.36798	59.9
549.95709	2.7
561.38007	4.4
562.06342	3.4
758.31104	7.2
758.46643	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01865	5.5
55.05507	17.2
57.03441	8.5
57.07079	2.0
61.02921	1.8
62.91205	1.1
65.03935	2.9
67.05503	56.8
69.03435	3.3
69.07069	23.3
69.34444	11.5
71.04994	4.6
71.08595	1.3
72.17006	1.4
76.80816	1.2
79.05491	41.0
79.75565	1.2
80.05825	1.2
81.03413	4.1
81.07055	100.0
82.07385	1.5
83.04987	7.1
83.08619	16.9
85.02914	3.7
85.06543	6.5
86.09709	3.7
91.05474	28.8
91.06012	2.2
93.07039	48.6
94.84007	1.1
95.04974	11.1
95.08604	26.1
97.02866	1.9
97.06526	10.3
97.10178	1.7
99.08086	4.1
105.07031	24.0
105.07689	2.0
105.98470	1.1
107.04959	7.1
107.08592	28.3
108.72564	1.2
109.06503	20.4
109.10136	7.9
111.08079	6.4
117.07003	10.4
119.08574	20.4
121.06505	3.7
121.10136	19.6
123.08059	2.9
123.11687	7.4
124.99995	1.6
125.09637	2.5
129.06981	2.7
131.08580	14.0
133.06519	1.6
133.10124	18.1
135.08070	4.6
135.11696	8.7
137.09578	1.4
139.11169	1.9
142.07695	1.5
143.08563	1.6
145.10118	7.3
147.11676	15.7
149.09610	4.6
149.13243	21.4
151.11143	2.6
157.10172	4.4
159.11659	13.3
161.13280	2.7
163.11197	4.9
165.12787	3.7
169.10284	2.0
170.10884	1.4
171.11752	3.2
172.38898	1.2
173.13315	3.6
175.11206	2.6
177.12756	3.8
184.07375	7.7
185.13287	1.5
187.11121	1.4
189.12769	1.3
193.12282	2.6
195.13763	5.6
199.14967	1.5
239.17851	1.8
247.20618	3.7
257.19055	3.4
267.16049	1.9
269.17487	68.9
270.17957	1.9
275.20056	48.2
293.21158	10.1
335.26489	1.5
349.23679	21.1
367.24774	16.5
525.35718	1.7
543.36816	74.4
544.37109	4.3
561.37878	52.2
562.37897	3.9
637.30341	1.4
758.31720	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	758.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.5
60.04504	0.3
61.02916	0.2
65.03945	0.3
67.05498	0.2
69.03432	1.5
70.06593	2.0
71.01348	0.2
71.06899	0.2
71.58468	0.3
72.08149	0.5
73.02924	0.4
75.04468	0.2
78.03457	1.3
79.05494	0.8
80.04983	0.2
80.93895	0.2
81.03411	0.6
81.07059	0.8
83.04998	0.4
84.04509	0.4
84.08146	0.8
85.02897	1.0
85.47302	0.2
86.09705	0.9
91.05460	1.0
93.07024	0.6
94.04201	0.2
95.04958	0.7
95.08609	0.4
96.04495	1.0
97.02891	100.0
98.03231	0.4
99.04501	0.3
103.05475	0.4
105.07001	0.4
106.02911	6.4
108.37663	0.2
109.02901	0.4
109.06544	0.3
111.04435	0.6
115.03822	0.3
115.05441	1.0
116.07083	0.3
117.06992	0.6
119.04955	0.5
119.08550	0.6
120.08117	0.3
121.06525	0.2
121.10143	0.4
122.03619	0.8
124.03955	8.8
125.06024	0.4
127.03951	0.3
129.06999	1.0
129.10217	0.4
130.08627	0.2
131.04906	0.8
131.08571	0.2
133.06499	0.3
136.06165	0.3
136.07651	0.3
137.05981	11.8
141.34129	0.2
143.04919	1.1
144.05692	0.3
145.02840	0.4
145.06494	0.4
147.04399	0.8
147.96442	0.2
149.05881	0.2
149.09624	0.3
151.03920	0.4
153.05460	0.3
157.06485	0.8
160.05177	2.4
161.05971	0.5
163.07574	0.5
165.05505	0.3
167.07024	0.7
172.05132	0.3
174.06671	0.3
175.04070	0.3
175.07545	10.3
176.07985	0.3
177.05438	0.8
181.04962	0.9
184.07353	0.2
187.07549	5.0
189.09122	1.1
191.06941	0.3
196.06102	0.4
203.08514	0.5
205.08571	1.7
207.06602	1.1
208.06781	0.4
211.07475	0.2
217.08636	0.7
219.08040	0.5
219.10052	0.3
220.06047	27.5
221.06374	0.3
235.09666	0.7
238.07094	4.5
239.07077	0.3
248.08350	0.4
254.06567	1.1
256.08218	0.4
263.10733	0.3
271.09543	0.3
279.10217	0.5
287.05630	0.5
291.10052	0.7
297.11166	0.3
299.05670	0.2
303.04953	0.4
311.12704	0.4
323.12656	0.7
341.13635	0.6
357.06201	0.2
357.13419	0.3
377.94675	0.2
382.11206	0.3
400.12378	12.4
401.12619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
53.50966	0.5
54.64803	0.7
55.01862	3.1
55.05508	6.7
55.94326	0.6
57.03421	2.6
61.50213	0.7
65.03928	1.2
67.05505	8.8
69.03418	5.1
69.07066	6.1
70.98581	0.9
70.98922	1.3
71.04984	4.0
73.02921	0.6
73.45229	0.6
75.04472	1.6
77.72490	0.7
79.05484	12.8
80.30229	0.7
81.03410	5.8
81.07051	12.4
83.04967	5.4
83.08621	3.3
85.02890	5.7
87.04451	0.7
91.05473	13.3
93.07038	30.2
95.04957	5.2
95.08601	6.8
97.02886	4.8
97.06510	2.9
97.10178	4.2
99.04417	2.1
99.08066	0.8
103.05456	0.9
105.07030	11.0
107.04967	3.5
107.08587	7.1
109.02865	2.5
109.06511	2.0
109.10168	4.1
111.00798	0.8
111.04435	4.4
111.08066	1.8
117.07026	4.0
119.08574	8.6
121.02850	1.0
121.06483	3.0
121.10136	21.8
123.04446	1.1
123.08031	1.6
123.11672	1.5
125.09633	3.6
127.03901	5.5
128.06215	1.1
129.05443	1.4
129.06967	1.4
131.08537	6.8
133.06494	1.2
133.10123	5.6
135.08028	2.4
135.11687	1.9
137.02336	4.2
141.07005	1.0
143.08595	1.4
145.06467	1.3
145.10106	4.9
147.07999	1.9
147.11673	3.8
149.02336	1.1
149.06030	0.9
149.09612	10.7
151.07520	1.1
151.11061	0.8
153.01833	3.4
155.08521	0.8
157.10133	2.3
159.11684	2.2
161.09604	1.6
161.13274	1.4
163.03981	1.0
163.11169	2.3
165.01846	2.6
165.09155	0.8
167.07047	1.1
167.10706	3.8
169.10100	0.8
171.11696	1.5
173.05956	0.9
173.09599	0.7
173.11734	1.1
173.13182	1.3
175.11261	0.9
177.12781	1.2
179.14336	1.1
179.24191	0.7
183.02927	1.0
185.13206	0.7
187.11110	1.1
189.11221	3.3
197.09630	0.8
201.05489	1.7
201.12578	0.8
205.12190	0.9
213.12814	0.8
217.12303	0.8
229.04906	5.5
229.14279	1.1
231.13861	0.9
239.17995	0.8
257.04404	2.9
257.19046	1.9
275.20053	13.8
277.14246	2.3
281.13821	1.5
285.03903	1.3
293.21127	1.2
295.15402	5.9
303.04971	100.0
304.05374	1.5
313.16483	3.8
313.19580	0.8
315.04953	4.4
327.04810	1.0
339.04907	1.6
341.06769	1.2
345.06070	2.2
383.22244	1.1
419.24384	1.7
430.62506	0.7
575.22260	1.0
585.55975	0.7
593.23566	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2174
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03940	0.5
55.05497	0.9
57.03438	2.6
61.02922	0.6
67.05504	0.9
68.99792	0.5
69.03438	1.6
69.52114	2.2
70.06593	3.0
71.01334	0.4
71.04993	13.9
71.06928	0.4
72.08139	1.3
73.02901	1.5
75.04460	0.9
76.02213	0.5
79.05467	0.4
81.03409	1.1
81.07056	0.6
83.04980	3.7
84.04503	0.8
84.07026	0.3
84.08136	1.3
85.02905	19.7
86.09706	1.4
87.04450	0.5
91.05480	0.8
93.07008	0.4
95.04955	0.9
95.08630	0.4
97.02875	1.1
97.06562	0.4
99.04408	0.8
102.05549	0.5
103.03950	0.4
105.07005	0.4
109.02871	1.1
111.00805	0.3
111.04449	2.6
116.01685	0.4
117.05470	0.9
119.08513	0.5
120.08195	0.3
121.02882	0.8
123.04430	0.5
124.28266	0.4
127.03907	0.8
127.08543	0.3
129.05486	5.4
129.10228	0.8
130.10478	0.3
137.02327	2.6
138.77628	0.3
145.04968	0.7
146.99609	0.4
147.04393	1.8
147.06523	1.5
149.02391	0.5
153.01845	2.4
153.05411	0.7
162.02135	0.4
163.05971	1.0
165.01857	1.4
179.04865	0.4
183.02933	0.5
184.07286	0.7
201.05447	1.3
219.06532	0.4
229.04958	3.2
239.09203	0.9
247.05925	0.7
252.91055	0.4
257.04492	2.2
257.09900	0.4
274.04703	0.7
275.05667	0.4
275.11127	0.4
285.03934	0.7
287.05441	0.9
303.04987	100.0
304.05292	1.5
315.04926	1.0
327.04929	0.5
345.05969	1.8
369.06036	0.8
413.08652	0.7
447.21609	0.4
448.21765	0.6
449.10883	1.9
465.10144	2.2
534.03857	0.4
594.27155	0.4
756.46649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01851	0.4
55.05494	1.1
56.21519	0.3
57.03433	2.2
61.02922	0.5
67.05491	0.4
69.03426	2.0
70.06595	1.4
70.06913	0.2
71.01366	0.4
71.04988	14.1
71.57737	0.3
71.58157	0.4
72.08150	0.4
72.32532	0.2
73.02911	1.5
75.04455	0.5
81.03396	0.8
81.07072	0.3
83.04977	4.1
84.04516	0.4
84.08143	0.7
85.02900	19.7
86.09713	0.7
87.04463	0.6
87.96651	0.2
92.59650	0.2
93.03362	0.3
95.04947	0.8
97.02890	1.4
99.04427	1.0
101.06003	0.3
107.04936	0.3
109.02834	0.7
111.00771	0.8
111.04423	2.7
113.05988	0.5
117.05495	0.6
121.02863	1.0
123.04412	0.3
127.03905	1.1
129.05470	5.1
131.04910	0.4
133.10083	0.4
137.02318	1.7
137.05925	0.3
141.05499	0.3
145.04939	0.8
147.04414	0.4
147.06490	1.2
149.02328	0.3
153.01810	2.8
153.05453	0.7
161.06102	0.3
163.03944	0.4
163.05994	1.0
165.01863	1.5
169.13359	0.3
171.02907	0.3
171.06563	0.6
173.05998	0.3
175.14824	0.7
176.15114	0.4
177.05411	0.4
183.02846	0.7
183.04355	0.2
183.06134	0.3
195.02898	0.3
201.05513	1.6
201.07173	0.3
202.48264	0.2
207.02774	0.4
222.19681	0.2
229.04939	3.2
239.09241	1.2
247.06024	0.4
257.04358	1.9
274.04633	0.6
275.11298	0.6
285.03989	1.2
286.04721	0.9
287.02570	0.5
287.05481	5.0
299.05322	0.3
301.07010	1.9
302.04053	0.4
303.04968	100.0
304.05292	1.6
315.04971	0.8
327.05035	0.4
345.06128	1.7
369.05945	0.5
413.08646	0.7
431.09848	0.3
449.10883	3.2
463.12314	0.6
465.10098	1.3
611.15784	0.6
757.26233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2179
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03936	0.6
55.01866	0.5
55.05503	0.8
55.94841	0.3
57.03212	0.3
57.03437	2.7
61.02917	0.7
65.03920	0.4
67.05499	0.4
68.99793	0.6
69.03433	1.6
69.49487	2.6
69.49810	0.3
71.01336	0.4
71.04993	14.4
73.02913	1.0
75.04465	0.8
81.03405	0.5
83.04980	3.2
85.02901	18.6
91.03969	0.5
95.04980	0.6
97.02890	1.1
97.06496	0.3
99.04442	1.1
109.02866	1.2
111.00780	0.6
111.04442	3.0
117.05468	0.5
121.02832	0.9
126.74324	0.3
127.03927	1.0
129.05490	4.4
137.02335	3.5
145.04968	0.7
147.06531	1.4
149.02368	0.3
153.01811	3.2
153.05458	0.9
161.05998	0.4
163.03926	0.5
163.06004	0.5
165.01802	1.8
183.02852	0.7
187.03918	0.5
201.05504	1.4
229.04948	4.1
239.09109	1.1
247.06004	0.4
257.04370	2.8
274.04800	0.7
285.03894	1.1
303.04984	100.0
304.05283	2.5
315.04932	1.4
327.05035	0.5
345.06055	1.4
350.81094	0.3
357.68198	0.3
369.06219	0.5
413.08588	0.7
449.10706	1.1
465.10342	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2178
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03941	0.4
55.01863	0.3
55.05518	0.4
56.80862	0.3
57.03437	3.4
58.20961	0.2
61.02919	0.7
68.99789	0.5
69.03432	1.7
69.52187	1.4
69.52620	1.1
71.01329	0.3
71.04989	15.0
73.02898	1.3
75.04457	0.8
81.03431	0.4
83.04988	1.6
85.02904	21.6
86.05272	0.3
86.08079	0.3
87.04439	0.6
93.20632	0.4
97.02885	0.9
99.04436	0.6
99.37069	0.3
101.88437	0.3
107.04916	0.3
109.02859	1.0
111.00797	0.9
111.04455	2.1
117.05502	0.5
118.08001	0.3
120.29573	0.3
121.02851	2.6
127.03896	1.0
129.05490	5.0
130.95164	0.4
133.02879	0.5
135.04427	0.3
137.02319	1.8
145.04919	0.6
147.04428	0.6
147.06509	0.9
153.01825	3.2
153.05473	0.7
155.20541	0.3
161.05931	0.3
163.03894	0.5
163.05936	0.4
165.01785	1.5
183.02882	1.3
201.05600	0.4
213.05423	0.9
222.33755	0.3
229.04959	0.9
231.06589	0.7
239.09125	0.4
241.04900	0.7
257.04361	1.0
258.05225	1.0
269.04398	0.4
287.05487	100.0
288.05826	2.5
303.04977	36.4
304.05225	0.8
315.04996	0.9
319.32593	0.3
329.06436	0.6
345.06192	1.4
369.06107	0.5
413.08621	0.9
431.09732	0.6
449.10797	20.2
450.11014	0.4
465.10303	7.4
495.50232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01871	0.3
55.05499	0.3
57.03432	1.8
61.02916	0.3
61.26718	0.2
65.03939	0.8
68.07961	0.2
68.99800	0.4
69.03444	1.2
70.06594	1.6
71.04987	7.8
71.58037	0.3
71.58437	0.3
72.08144	0.5
72.94270	0.3
81.03416	3.4
83.04974	0.3
84.08125	0.7
85.02901	8.0
86.09704	0.9
91.05476	8.3
93.07047	0.3
95.04938	0.4
97.02873	1.1
98.16750	0.3
103.05448	0.3
107.04961	0.6
109.02872	1.5
111.04453	0.4
116.57205	0.2
117.03401	0.4
119.04937	18.8
120.08083	0.6
121.02877	0.7
123.04337	0.3
127.03917	1.1
129.05463	0.8
131.04942	0.5
135.04329	0.3
136.07523	0.4
137.02325	4.1
137.03299	0.5
137.05956	0.8
145.02849	1.0
147.04402	100.0
148.04742	1.5
150.87769	0.2
151.03854	0.3
153.01875	1.3
161.05930	0.2
163.03889	0.6
165.01799	0.5
165.05464	3.7
167.07085	0.7
177.05464	3.1
181.04984	0.5
183.02945	0.4
185.48393	0.2
193.08502	0.3
201.05670	0.3
207.06546	0.7
229.04939	1.7
247.05899	0.3
257.04431	1.4
274.04694	0.3
285.04089	0.4
287.05518	6.0
291.08594	4.8
303.04980	40.8
304.05368	0.8
309.09656	3.4
315.04935	0.9
327.04709	0.3
345.06030	1.2
347.97894	0.3
369.05957	0.4
413.08826	0.5
449.10675	0.7
583.60498	0.3
595.27374	0.2
650.74884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1969
Annotation	UNII-8PGL6583N7
Peak:m/z	Relative Intensity
53.03952	0.3
55.01867	0.3
55.05514	0.3
57.03425	1.4
65.03931	1.1
68.99797	0.3
69.03420	0.9
69.85293	1.6
70.06583	0.9
71.04991	8.2
72.08129	0.2
73.02901	0.5
75.04466	0.3
76.69062	0.2
78.20670	0.3
81.03421	2.9
81.07032	0.4
83.04981	0.3
84.08150	0.5
85.02905	8.8
86.09708	0.5
87.04483	0.4
91.05482	8.0
93.07049	0.4
95.04942	0.2
95.27596	0.2
97.02904	1.1
98.21140	0.8
99.04481	0.3
107.04970	0.3
109.02899	1.2
110.07173	0.3
111.00797	0.6
117.03396	0.6
119.04936	20.3
121.02851	0.7
127.03898	1.1
129.05481	1.5
131.04900	0.5
137.02338	4.5
137.05922	0.5
140.07823	0.3
140.58447	0.3
145.02843	1.2
145.06459	0.4
147.04404	100.0
148.04762	1.5
149.02191	0.3
153.01830	1.3
163.03928	0.6
165.01834	0.7
165.05492	3.6
167.07031	0.7
175.03896	0.3
177.05452	2.0
183.04356	0.4
201.05447	0.6
207.06577	0.3
211.11234	0.2
229.04961	1.8
257.04468	1.1
285.04028	0.5
287.05463	4.0
291.08640	5.5
303.04987	40.5
304.05383	1.1
309.09689	4.1
315.04935	0.7
345.06049	1.0
369.06018	0.3
413.08569	0.7
431.09637	0.3
449.10773	1.5
690.35645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	12.1
55.01854	7.5
55.05510	24.5
57.03429	6.2
64.05939	4.3
67.05499	68.5
67.46979	5.5
69.07072	23.7
71.59367	6.8
79.05086	4.8
79.05495	73.5
81.03429	9.6
81.07051	69.5
83.04991	10.5
83.08617	11.4
91.05475	88.3
93.07037	100.0
95.04972	31.9
95.08591	50.2
97.06508	5.6
98.59386	5.0
105.07019	85.1
107.04935	9.5
107.08593	31.9
109.10160	14.3
117.06991	30.6
119.08582	58.6
121.06529	5.3
121.10136	17.7
123.08084	9.9
129.06999	21.5
131.08560	26.1
133.10109	32.3
135.08025	6.2
135.11674	21.1
143.08560	13.2
145.06459	6.9
145.10117	25.9
147.11678	50.4
149.09557	4.6
149.13237	6.6
157.10121	10.8
159.11636	16.7
161.09610	7.7
161.13246	25.7
171.11732	26.3
173.13246	13.6
175.14815	16.5
181.10144	5.3
185.13205	8.5
187.14825	6.3
189.12712	6.8
207.13773	14.4
241.19502	27.0
248.39723	5.1
259.20593	55.5
264.57916	5.4
279.15924	10.7
281.17441	66.1
315.23361	6.6
321.17041	6.3
331.26331	5.1
333.24252	37.8
335.25537	6.5
376.93790	6.0
465.33649	8.4
539.37305	46.3
557.37903	9.5
661.97339	5.5
719.39276	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	754.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
55.05502	1.0
56.05037	1.2
57.03429	1.7
57.66223	0.9
58.99580	1.0
61.73811	1.0
67.05502	1.0
69.03454	1.2
70.06585	4.3
70.84351	0.9
71.04993	5.7
71.49107	1.4
71.49439	1.9
72.08198	1.1
76.02227	6.6
79.05505	1.8
80.05029	0.9
81.03430	7.3
82.06564	1.1
83.04987	1.5
83.06107	9.0
83.08626	1.0
84.04507	11.9
84.08143	2.4
85.02908	8.2
86.09705	1.5
91.05482	1.5
91.71536	1.0
95.04974	5.0
96.04478	2.7
98.06074	2.1
98.21048	1.3
99.05582	2.2
107.06080	3.8
108.04483	3.6
109.02908	2.0
109.07652	8.2
110.06007	1.7
110.07156	1.1
111.00772	1.1
111.04420	2.4
112.03953	2.0
114.05527	2.9
116.01646	1.1
116.23383	1.0
121.06554	1.5
123.00777	4.5
123.04408	2.6
129.06583	8.9
129.10318	1.3
130.05002	7.1
135.05565	1.3
136.03935	7.4
136.07579	1.6
137.02266	1.1
137.24490	0.9
139.08643	1.0
141.10376	0.9
142.03192	1.3
142.05016	1.1
144.01151	1.2
152.99969	2.3
153.01830	10.3
153.06583	10.7
155.08153	5.7
162.02203	2.7
165.01854	1.3
165.43230	1.0
166.00797	1.3
175.11293	1.3
175.23624	1.0
176.07101	1.4
177.00085	1.5
177.05461	2.9
178.08670	2.1
179.01654	7.8
179.03026	1.2
179.04865	6.3
181.06104	3.3
187.05421	1.1
191.01715	1.5
192.99568	3.4
193.06184	1.3
193.12305	5.1
196.99057	1.0
199.07144	8.6
207.01062	7.8
207.13918	1.2
211.07127	2.5
220.99049	10.6
222.07590	7.8
231.01106	1.7
233.06036	1.2
235.00650	3.6
239.00055	9.5
243.00949	1.7
244.03699	1.2
245.04433	1.2
247.00606	1.9
257.07730	2.8
259.00708	4.9
261.03986	3.0
263.00015	1.8
267.16010	2.1
271.00760	2.9
277.01651	18.1
285.02182	1.4
285.17123	2.1
287.00183	3.0
288.00900	3.9
296.50983	1.1
298.04788	1.7
300.02594	1.9
302.04309	2.3
303.02975	2.4
305.01151	100.0
306.01370	1.6
308.09222	7.6
313.03845	4.8
317.01096	8.6
331.02777	15.6
333.00653	55.9
334.00989	1.7
335.02255	11.7
341.01157	3.3
359.02209	21.0
360.80753	1.0
376.04880	4.4
399.26917	1.0
440.06815	1.5
442.06152	6.6
462.04901	31.2
462.11484	2.2
463.05386	1.4
470.05414	2.4
479.07617	38.6
533.08618	27.3
545.08557	7.1
608.11810	20.5
657.41095	1.2
745.41162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	1.0
56.04979	1.3
57.03371	1.7
57.03627	0.7
57.32860	0.5
60.04455	2.2
61.02851	5.2
67.05431	1.7
68.20869	0.7
69.03347	2.8
69.07008	1.4
70.02897	0.9
70.06515	1.8
70.83723	1.8
71.01313	1.1
71.04944	0.7
72.08094	1.1
73.02834	3.9
78.07849	0.6
79.05415	1.7
81.03373	1.2
81.06968	2.1
83.04932	0.9
83.68012	0.7
84.04493	3.6
84.08076	0.8
85.02818	6.6
85.03368	1.2
86.05984	1.8
86.09610	1.8
88.03909	4.1
89.02339	1.1
91.03856	1.7
91.05386	2.2
93.07020	1.1
95.04905	1.1
95.08541	1.2
97.02887	4.6
99.04401	1.1
101.02310	0.8
102.05457	0.8
103.05441	0.6
105.06973	1.1
107.07272	0.8
107.08521	1.4
111.04408	1.0
117.05588	0.7
117.06948	0.6
118.06565	4.4
119.08532	1.5
120.04383	1.2
120.08011	1.8
121.10078	1.6
127.03831	1.6
129.05389	0.6
129.06920	0.6
130.05008	29.3
130.06430	3.6
131.07195	2.0
131.08231	0.5
132.08095	4.5
133.10075	0.6
136.06142	0.6
137.05869	0.7
138.05365	0.8
138.95111	0.6
143.08463	0.7
144.08078	5.1
145.08829	0.8
145.10033	0.7
146.09590	3.3
147.04375	0.9
149.09561	0.6
156.07986	0.9
158.09676	3.4
160.11128	1.0
162.07597	3.0
167.07159	0.6
172.11171	4.0
177.05444	1.0
181.04955	0.6
186.12622	1.7
188.06978	1.2
200.14223	1.2
202.08681	0.7
202.15936	0.7
214.15918	1.0
216.10187	0.8
216.17410	0.7
228.17413	2.4
230.18991	0.6
242.19019	0.8
256.16949	2.3
272.16235	0.9
288.19571	0.9
312.26910	1.5
324.26834	5.9
340.26358	11.2
358.27509	1.6
368.25864	39.9
386.26907	28.7
387.27429	1.1
404.27969	10.8
409.27750	1.1
410.27014	2.2
412.28534	1.0
430.29520	4.5
438.26419	11.2
442.29523	15.4
456.27267	4.5
460.30609	100.0
461.30783	1.5
468.31360	0.7
474.28436	0.7
486.32162	8.7
512.29901	3.4
530.22986	1.4
530.31152	27.7
571.33618	1.4
572.32153	0.7
589.34845	55.2
590.35205	1.9
622.35889	24.2
622.45746	1.3
623.35986	0.9
648.37439	12.0
648.47290	1.2
692.36755	3.4
734.37817	0.9
751.40118	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
54.13080	0.2
55.02991	0.3
55.05493	1.0
57.03413	0.6
60.04523	0.4
60.05654	1.8
65.03597	0.2
65.03932	0.9
65.92278	0.2
67.05486	0.7
69.03415	1.3
70.06570	0.8
70.15518	1.1
71.04987	1.2
72.08154	10.8
73.81039	0.2
75.04463	0.4
79.05490	3.5
80.04998	0.3
81.03436	1.5
81.07051	2.3
83.04965	0.8
84.04500	0.4
84.05598	0.5
85.02905	2.9
85.04008	0.4
85.94379	0.2
89.10793	1.6
91.05480	9.6
93.07040	12.5
95.04973	1.5
95.08585	0.6
96.04494	0.3
96.89331	0.2
97.02876	0.9
97.07640	1.5
98.06052	1.4
99.04459	0.5
103.05439	0.4
104.47064	0.3
105.04414	0.2
105.07021	1.6
107.08610	1.7
108.04470	1.7
109.02876	0.8
109.06511	0.3
111.04420	0.5
114.10287	21.8
115.08688	2.4
117.69317	0.2
119.04941	17.4
119.08569	0.9
121.06478	0.6
121.10148	9.0
121.11034	0.4
123.08081	0.4
123.11714	1.6
126.05530	1.7
127.03933	0.3
127.24667	0.2
129.06944	0.3
131.08569	0.8
131.12921	2.3
138.10249	0.7
139.08652	0.7
147.04404	100.0
148.04726	1.2
149.09598	1.7
151.11151	0.7
155.12909	0.7
156.11295	2.0
157.10863	0.6
176.10608	0.3
177.05545	0.4
180.11342	0.4
186.12302	0.3
189.05539	0.4
191.06967	0.3
191.45473	0.2
197.14061	0.6
198.12425	0.5
217.13353	6.0
218.11739	5.6
218.13771	0.3
235.14430	1.1
260.13940	5.4
261.14578	0.3
277.16583	9.3
277.19516	0.5
301.16647	0.8
302.15002	0.9
310.16122	0.3
319.17673	1.0
343.17911	0.3
344.15891	0.5
570.28357	0.4
587.30646	2.1
589.32220	4.5
605.31653	1.1
675.19415	0.3
751.37561	54.3
752.37701	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	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01862	2.5
55.05509	4.4
56.05022	1.8
57.03432	1.5
60.04524	1.9
60.05659	0.8
65.03940	2.3
67.05511	3.6
69.03443	1.3
69.07068	0.7
69.47614	5.4
70.06584	4.3
71.01359	0.6
71.04997	8.7
72.08154	6.5
73.02921	0.8
79.05492	6.3
81.03420	0.9
81.07045	3.7
81.40171	0.5
83.04982	23.2
84.04517	4.2
84.08160	1.5
85.02908	15.5
86.06068	1.1
86.09718	1.9
89.10822	1.0
90.12181	0.7
91.05481	31.1
93.03420	1.8
93.07042	20.5
95.04966	5.8
95.08614	4.7
97.02897	2.5
98.06078	1.3
99.04487	1.6
102.05550	0.9
103.05480	2.0
105.07030	6.2
107.04969	2.6
107.08606	3.5
109.02864	1.4
109.06525	3.1
109.10161	1.5
111.04445	10.5
114.10291	13.5
115.05475	2.5
115.08680	2.2
117.07009	6.7
119.04960	8.1
119.08583	38.3
120.08164	0.9
120.08975	0.8
121.06543	2.5
121.10118	4.1
122.57904	0.6
123.04472	1.7
123.08069	1.5
127.03931	0.8
128.06230	1.4
129.05519	3.5
129.06987	4.6
129.10242	1.0
131.05019	0.7
131.08606	2.8
131.12939	1.1
133.06516	1.8
133.10146	1.4
135.08066	3.2
136.07594	1.3
137.05954	3.0
137.09613	1.1
141.07019	0.8
142.07730	0.7
143.08585	1.7
145.06487	1.3
145.10120	0.7
147.04410	46.7
147.08044	18.0
148.04846	0.9
149.06039	1.3
149.09665	2.2
151.03896	0.7
155.08611	0.6
156.11333	1.1
157.10040	0.6
159.07974	1.4
161.06073	0.6
161.09641	1.9
161.13126	0.6
163.07593	1.8
163.11253	1.1
165.09132	5.5
167.07080	0.8
167.08430	0.7
171.08008	0.8
173.09608	0.9
175.07558	1.4
177.05540	1.7
180.11372	0.7
185.09593	1.2
187.07570	1.1
187.11221	0.7
188.67690	0.7
197.13960	0.8
199.11140	0.8
213.30212	0.6
217.13376	3.6
218.11823	3.0
229.12228	0.8
235.14519	1.5
260.13934	3.7
272.05658	0.6
275.12720	1.0
277.16592	16.0
277.19473	0.9
278.16879	0.7
293.13837	3.4
311.14810	3.7
370.04700	0.7
401.73026	0.6
457.20697	1.1
587.31226	1.3
589.32477	3.2
605.31860	1.0
647.32611	0.8
751.37616	100.0
752.38226	4.9
753.86749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01860	3.1
55.05500	0.9
57.02377	0.8
65.03935	5.2
65.74649	0.7
67.05489	3.5
69.03410	2.2
69.67513	0.8
70.06585	2.5
71.04974	1.3
71.14147	2.3
71.73302	0.9
72.08131	1.4
72.38956	0.8
75.04474	3.0
78.04695	3.5
79.05491	7.5
81.03418	2.5
81.07060	2.6
82.04192	1.8
84.08147	1.0
85.02902	6.4
86.09713	0.9
89.03902	1.3
91.05476	12.8
93.03406	6.3
93.07029	4.2
95.04965	6.4
97.02882	2.0
97.06516	3.6
102.04659	1.2
103.05460	21.4
105.03380	1.9
105.04430	0.8
105.07018	8.1
106.04168	12.0
107.04952	10.3
109.06496	1.4
110.03656	1.6
111.04453	1.8
115.05462	5.8
117.07008	2.5
118.04197	4.6
119.04941	3.5
119.08578	2.1
121.06501	16.2
121.07366	1.3
121.10118	1.6
123.04439	5.3
124.05212	2.0
125.05970	7.3
128.06241	0.9
129.05461	1.1
129.06982	2.3
130.04178	1.3
131.04919	22.2
131.08586	1.9
132.05682	2.5
133.02882	1.7
133.06479	10.3
134.03636	3.1
135.04399	1.6
135.08043	2.6
137.05045	1.0
137.05966	6.7
138.03130	2.1
139.03871	0.8
139.07489	1.9
142.02556	1.2
143.04904	1.3
144.05646	1.7
145.02882	1.8
145.06468	7.3
146.03572	1.3
147.04408	2.8
147.08035	3.2
148.05183	11.1
149.04779	1.5
149.05966	26.4
151.03900	3.6
151.07533	2.6
152.04692	1.8
153.05441	3.9
153.09117	6.3
155.07141	0.9
159.04410	1.3
159.08052	2.5
161.05960	8.8
162.01357	1.9
162.07645	2.5
163.02144	0.8
163.03888	3.1
163.07535	21.9
165.05519	2.0
167.07024	60.5
171.06552	5.1
172.05168	1.1
173.05977	5.4
175.03964	1.0
175.07538	3.5
176.04648	3.0
177.05447	19.7
177.09079	1.2
179.07059	1.5
181.04947	76.2
181.08530	15.2
182.05338	0.9
185.06140	1.1
187.07542	3.2
189.05466	1.4
189.09161	1.2
190.00818	1.4
190.06265	1.0
191.07021	100.0
192.07784	1.7
193.04942	2.3
193.08623	3.3
195.06537	4.0
201.05420	1.2
203.06999	2.9
205.06766	1.2
205.08472	4.4
207.06493	2.1
207.10262	2.0
209.08070	78.7
213.05505	1.4
217.08636	2.1
219.08153	1.6
219.10074	7.9
221.08124	1.5
223.04224	18.1
225.07521	2.1
233.08084	6.4
235.07504	2.7
235.09694	4.9
236.08321	1.2
245.08093	2.3
253.08549	0.9
263.09125	23.0
267.10126	4.5
289.10696	1.0
295.09906	1.3
297.11264	2.4
303.05130	1.1
307.09479	1.6
310.57956	0.9
312.08957	3.4
325.10712	3.0
329.14096	1.0
337.10785	1.0
339.12430	1.8
353.10208	1.0
357.13312	6.0
359.14896	1.3
367.11597	2.3
371.15012	0.9
385.12823	13.5
387.14587	1.4
399.14410	3.4
415.14990	1.2
417.15427	13.2
447.17697	4.2
609.23413	1.2
623.20569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13642	0.3
56.05017	1.0
57.07064	0.4
58.06593	0.5
60.08159	6.4
60.99967	0.3
67.05495	1.0
69.07060	0.5
69.41203	1.4
69.41637	1.6
71.07370	4.5
81.07034	0.9
86.09702	33.5
91.05471	0.5
95.08552	0.5
98.98466	3.3
102.69762	0.4
104.10717	2.0
107.08570	0.4
109.10153	0.5
125.00002	22.8
143.00992	0.4
147.04443	0.4
184.07332	100.0
185.07764	0.5
191.16333	0.3
286.10876	0.3
539.61273	0.4
574.48804	0.4
578.39252	0.4
595.53723	0.4
618.96851	0.4
714.46844	0.5
722.24646	0.4
746.49719	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36842	0.2
55.01867	0.5
55.05500	0.4
57.03421	0.8
60.40266	0.3
61.02922	6.3
67.05495	1.2
69.03429	2.1
69.07063	0.3
70.06599	1.3
71.01336	0.3
71.04967	0.5
73.02906	2.3
75.75195	0.2
79.05492	0.6
81.03399	0.8
81.07047	1.5
83.08619	0.4
84.04493	0.3
84.08138	0.5
85.02898	5.3
86.09680	0.5
87.04425	0.3
90.85791	0.2
91.03951	3.6
91.05472	0.8
93.07037	1.3
94.04054	0.4
95.04944	0.3
95.08614	0.3
97.02293	0.4
97.02891	6.3
98.21146	1.3
99.04422	0.4
99.08009	0.2
105.07009	0.3
107.04922	0.5
107.08546	0.8
108.54270	0.3
109.02872	0.3
109.76755	0.2
115.03925	0.3
117.07011	0.3
118.33591	0.2
119.03527	1.0
121.06488	0.3
121.10112	0.7
122.85939	0.3
127.03931	1.3
133.10074	0.5
135.11719	0.5
136.06177	100.0
137.04550	1.1
137.05872	0.7
145.04945	0.6
147.04390	0.9
148.05984	0.3
149.13243	1.0
159.11674	0.4
161.04684	0.4
162.07845	0.3
167.06964	0.4
174.07693	0.3
177.05450	0.4
177.12825	0.3
178.07224	0.9
181.04948	0.6
192.08730	0.3
195.13913	0.5
208.43272	0.2
209.08037	0.3
217.08652	0.2
249.11227	0.4
269.17535	1.2
286.16522	0.6
302.19720	0.5
303.04889	0.3
330.19214	13.2
331.19415	0.4
348.20337	3.0
389.15723	0.4
404.17642	0.5
404.22900	5.9
422.23947	52.0
423.24323	1.0
464.25061	0.7
492.24503	0.7
566.27930	1.0
584.29211	25.2
585.29523	1.1
746.21002	0.3
746.34393	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	743.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73328	1.6
56.58400	1.5
57.03418	2.0
61.02919	7.8
67.05495	5.8
69.03429	4.1
71.01390	1.6
73.02911	4.0
79.05486	7.7
81.03429	2.5
81.07051	6.4
85.02895	4.3
91.03939	2.4
91.05465	3.5
93.07059	5.2
94.45480	1.8
95.08617	3.9
97.02910	2.0
101.02358	2.3
105.07026	2.8
109.10076	1.7
112.70639	1.6
119.08634	2.5
121.10153	2.5
147.11707	2.4
349.82843	1.6
465.21014	5.0
475.12744	1.9
519.29120	9.8
743.43298	100.0
744.42950	5.6
744.56812	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.3
56.95505	1.3
58.31805	1.1
62.53224	1.3
63.66733	1.2
70.06591	93.0
70.08985	4.1
71.18111	1.0
74.06075	4.7
83.04999	1.4
84.04509	3.4
84.08141	16.4
101.07094	1.8
102.05495	1.8
103.36291	1.3
112.07603	100.0
129.10237	8.9
130.08649	5.4
140.07060	78.2
147.11247	5.8
157.09731	21.5
176.56078	1.1
203.10326	1.6
215.52003	1.3
224.79242	1.2
240.13435	4.1
248.16127	6.8
268.12924	12.3
323.16895	1.3
351.16574	10.0
359.19421	1.7
369.17682	4.6
390.10516	1.3
478.25204	4.0
480.21176	6.3
498.21667	2.7
727.35620	2.3
745.37152	55.2
745.50696	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2024
Annotation	Quercetin 3-glucosyl-(1->4)-xylosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
54.17953	0.3
55.01870	0.7
55.05498	0.6
57.03445	3.7
61.02923	0.8
68.99799	0.9
69.03429	6.2
69.52178	2.2
69.52602	0.8
70.06591	3.6
71.04993	13.9
72.08147	1.5
73.02910	0.9
75.04475	0.8
81.03405	1.4
83.04967	1.4
84.04485	0.7
84.08134	1.4
85.02906	19.9
86.09702	0.8
87.04466	2.5
91.05474	0.8
95.04916	0.7
97.02890	4.5
109.02883	0.9
111.00781	1.0
111.04436	1.3
115.03962	3.5
119.04932	0.5
121.02840	2.0
127.03915	1.5
129.05499	3.4
129.10255	0.6
133.02829	0.4
133.05003	3.4
136.07619	0.8
137.02325	4.4
137.05960	0.6
139.03978	0.5
145.04976	0.6
145.88339	0.4
147.04398	1.6
147.06526	1.2
153.01834	4.9
161.06052	0.6
163.03897	1.0
165.01820	2.5
177.01820	0.4
183.02876	1.3
183.04326	0.4
201.05530	1.3
205.04883	0.4
207.06476	0.4
213.05473	0.8
225.07515	0.6
229.04926	4.3
231.06531	0.6
241.04887	0.5
257.04474	3.0
258.05289	0.6
261.09720	0.6
274.04871	0.5
285.04034	1.1
287.05502	45.7
288.05872	0.7
303.04996	100.0
304.05203	0.7
315.04962	0.9
327.05054	0.6
345.06000	2.7
369.05826	0.7
413.08685	1.0
431.09793	0.6
435.09210	0.9
449.10806	3.1
465.10306	8.5
583.73517	0.4
655.99353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2023
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
51.70127	0.2
53.03935	0.4
55.01844	0.2
55.05498	0.5
55.46896	0.2
57.03431	3.9
61.02909	0.6
65.03916	0.3
68.99802	0.4
69.03426	2.2
69.27009	0.5
69.27410	1.7
70.06585	0.6
71.01337	0.5
71.04988	8.3
72.08126	0.2
73.02913	4.3
75.04458	0.6
81.03391	0.6
83.04971	1.5
85.02898	11.5
86.05191	0.2
87.04467	0.4
91.05480	0.2
93.03388	0.3
95.04965	0.5
97.02351	0.3
97.02892	2.3
107.04945	0.3
109.02871	0.4
111.00800	1.0
111.04429	0.8
113.02318	0.4
113.06001	0.2
113.80721	0.2
115.03928	1.4
117.14898	0.2
121.02843	0.9
123.04415	0.3
127.03896	0.4
129.05469	2.5
130.72760	0.2
133.04962	0.3
135.04359	0.2
135.57872	0.2
137.02327	3.1
139.03845	0.3
145.06490	0.2
147.06499	0.8
149.02301	0.4
153.01830	2.8
161.06024	0.3
163.03906	0.4
165.01808	2.1
166.02620	0.3
173.05971	0.3
183.02888	0.7
191.46735	0.2
199.06094	0.2
199.47569	0.2
201.05490	1.1
205.05035	0.2
207.03070	0.2
219.02982	0.3
225.07550	0.6
229.04942	3.5
243.08768	0.3
247.05914	0.7
257.04465	2.5
274.04715	0.8
275.05478	0.3
285.03937	1.4
287.05518	0.4
299.05484	0.3
302.04099	0.2
303.04965	100.0
304.05280	1.3
315.04944	1.0
327.04813	0.4
341.06677	0.4
345.06088	1.5
369.06058	0.6
377.27386	0.2
399.06964	0.8
413.08575	0.3
417.08072	0.5
435.09195	1.4
449.10495	0.2
465.10278	17.2
466.10669	0.4
597.13324	0.2
634.73291	0.2
725.35400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
55.05511	27.8
57.03443	18.4
57.07069	3.7
61.02923	3.8
65.03953	4.0
67.05502	72.3
69.07050	20.9
71.04988	7.8
71.57990	5.8
71.58374	4.3
73.83875	3.3
79.05491	51.0
81.03419	65.4
81.07050	65.5
83.04970	18.1
83.08626	28.2
85.02910	25.3
88.19238	3.5
91.05480	53.2
93.07034	57.8
95.04959	37.6
95.08592	40.1
97.02886	5.4
97.06538	6.4
97.10143	5.5
100.76455	3.7
105.07012	35.2
107.04955	9.8
107.08583	28.7
109.06519	8.3
109.10157	17.9
111.08077	10.7
112.66576	3.6
117.07040	5.5
119.08586	27.3
121.10152	18.4
127.10493	4.1
129.07028	9.4
131.08548	20.3
133.10121	19.1
135.11678	10.4
145.10109	8.5
147.11673	19.8
149.09589	9.3
157.10161	19.0
159.11697	6.7
161.13297	4.6
173.13280	5.3
175.11198	11.6
184.07314	7.2
193.12239	56.3
204.77596	3.5
211.13292	88.8
227.20084	7.9
261.22159	12.8
267.15817	20.3
275.20029	7.4
276.87778	4.1
285.16949	85.7
335.25803	87.6
486.34650	4.7
507.93823	3.9
527.37262	11.3
545.38348	100.0
596.96875	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	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01873	4.0
55.05514	20.9
57.03446	14.9
61.02911	1.9
65.03936	3.5
67.05507	61.8
69.03426	3.3
69.07063	15.6
69.24685	20.4
71.04985	4.0
79.05063	3.4
79.05493	42.8
81.03418	42.6
81.07059	56.4
83.04983	14.0
83.08607	21.9
85.02899	21.3
85.06543	3.6
86.09718	2.1
90.17133	1.8
91.04909	1.9
91.05479	39.6
91.06017	2.9
93.07046	41.9
95.04972	24.2
95.08607	38.1
97.02902	4.1
97.06538	3.9
97.10160	3.7
105.07027	27.4
107.04964	5.9
107.08598	21.1
109.06489	4.6
109.10143	14.6
111.04465	2.5
111.08060	7.2
113.06026	1.8
117.07004	5.3
119.08582	20.4
121.10147	18.5
121.34778	1.8
123.08068	3.2
123.11700	2.6
123.26132	1.7
124.99997	1.6
125.09682	1.9
127.03888	1.5
129.07033	7.9
131.08569	13.8
132.08777	1.6
133.10146	14.4
135.08118	2.6
135.11676	10.8
137.09555	1.9
142.07808	1.9
145.10158	7.7
147.08113	1.9
147.11679	14.9
149.09619	5.6
149.13235	5.0
149.59137	1.8
157.10135	14.1
159.11693	3.5
161.13190	2.1
163.14799	1.8
165.12842	2.6
165.14560	1.6
173.13272	2.5
175.11198	12.7
175.62816	1.4
177.12752	1.8
184.07335	7.7
185.07570	1.8
193.12241	37.2
197.13289	1.5
211.13289	50.7
211.15283	2.8
243.21077	3.8
261.22122	12.3
267.15930	12.5
269.17450	3.5
277.21362	1.9
285.16968	51.5
317.24655	2.5
335.25800	86.4
351.24622	2.1
435.32648	2.4
451.95297	1.9
527.37457	11.8
545.38354	100.0
546.38684	3.5
587.60675	1.7
623.62305	1.7
651.01544	1.8
663.72736	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03043	1.0
53.03939	4.3
54.86949	1.0
55.01875	5.4
55.05510	16.5
57.03435	13.5
57.07069	1.7
61.02921	1.7
67.05174	1.8
67.05505	25.6
69.03436	5.3
69.07078	7.7
69.47375	1.8
69.47784	8.8
70.06566	2.0
71.01342	1.4
71.04992	6.9
73.02911	4.5
75.04471	2.4
79.05489	24.9
81.03416	48.5
81.07052	23.3
83.05002	6.1
83.08618	17.0
84.04500	1.4
85.02901	5.8
85.06548	2.1
91.05473	21.2
93.07038	22.5
95.04966	22.1
95.08608	10.7
97.02901	2.7
97.06526	3.2
97.10162	13.6
98.21455	2.0
105.04496	1.2
105.07038	13.7
107.04958	17.9
107.08585	15.2
109.06508	18.5
109.10178	6.8
111.04427	3.6
111.08091	5.4
111.18798	1.0
113.06059	1.4
115.05447	2.1
117.07011	5.4
119.04936	1.8
119.08584	11.7
120.08044	1.2
121.06504	15.1
121.10142	13.9
123.04420	1.3
123.08057	6.1
123.11720	2.2
125.09621	10.9
129.05490	1.7
129.07002	10.2
131.04933	2.4
131.08553	13.9
133.06488	4.0
133.10121	4.8
135.08057	8.2
135.11667	2.5
137.05977	2.4
137.09680	1.3
139.11180	4.2
141.06975	1.4
143.08528	3.4
145.02908	1.4
145.06496	4.4
145.10126	3.4
147.04439	2.1
147.08043	6.0
147.11682	6.5
149.06003	1.5
149.09627	7.3
153.09077	2.1
155.08589	2.0
157.06482	2.3
157.10101	8.1
159.08029	1.8
159.11722	1.5
161.06013	1.6
161.09608	1.4
161.13171	1.3
162.07619	4.9
163.11153	5.4
165.12674	1.8
167.10599	1.9
171.08031	2.3
171.11641	3.8
173.13252	4.8
175.11163	7.5
177.05475	2.4
177.12770	1.8
181.10159	1.3
183.11610	1.0
185.13280	1.1
187.14804	1.2
189.11197	4.8
189.12755	2.3
191.14377	3.8
193.12242	15.6
197.13188	1.8
199.11130	2.5
201.12714	1.9
205.12263	1.5
207.06487	1.1
211.11308	2.4
211.13190	1.7
213.12723	2.0
215.14330	2.6
217.12212	1.2
219.13808	14.8
223.13286	1.8
229.14290	2.1
233.15410	3.1
235.13222	1.3
241.14366	1.8
245.15407	1.5
249.14760	1.5
255.13731	1.8
257.07095	1.3
259.13162	1.3
259.15457	9.0
267.15912	39.2
273.14731	6.8
293.17435	7.8
337.16620	1.2
349.21576	4.7
357.24237	2.6
365.23184	1.5
367.22650	18.5
383.24225	3.2
385.23761	25.0
403.24789	10.1
441.26437	6.5
451.27042	2.6
459.27386	100.0
460.28125	1.6
477.28485	88.7
478.28934	1.4
491.30011	7.5
495.29443	7.1
501.28320	2.5
509.30698	3.7
562.33844	1.2
567.29309	2.4
742.40161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
55.01862	8.6
55.05517	23.6
57.03436	17.9
57.07106	2.2
59.25800	1.8
60.85555	2.1
61.02920	17.0
65.03918	3.7
67.05171	4.0
67.05503	42.7
69.03426	14.5
69.07066	25.2
69.80303	12.0
70.06580	10.5
71.01335	2.6
71.04984	12.9
72.08132	4.9
73.02915	8.4
79.05489	41.1
80.94054	2.0
81.03410	26.6
81.07050	56.2
83.04979	12.1
83.08601	14.1
84.08153	4.9
85.02899	20.5
85.06548	5.0
86.09707	5.3
87.04458	2.6
91.03945	7.1
91.05476	40.7
93.07041	44.5
95.04989	19.4
95.08598	18.1
97.02891	16.2
97.06531	37.2
97.10155	15.3
99.04419	2.9
99.08091	4.9
103.05439	4.1
105.07021	24.6
106.04252	2.9
107.04958	16.7
107.08588	28.7
109.02843	3.2
109.06532	12.7
109.10165	14.1
111.04417	10.4
111.08070	8.2
113.05984	2.2
115.03917	3.4
115.05423	3.0
115.07568	13.4
115.08255	2.6
116.07095	2.8
117.07022	16.1
119.04933	7.8
119.08572	22.5
120.08083	3.3
121.06503	10.3
121.10151	17.1
123.04459	2.5
123.08051	15.8
125.00037	2.7
125.05975	2.8
125.09637	17.0
127.03911	8.2
127.07556	3.1
129.07011	7.2
131.04912	4.2
131.08554	19.6
131.22087	2.0
133.06506	7.0
133.10117	16.0
135.04332	2.6
135.08043	13.0
135.11667	12.8
136.06187	3.0
137.05957	18.3
137.09612	8.2
139.11115	3.3
143.08542	6.9
145.02783	7.7
145.04988	5.2
145.06363	3.1
145.10149	16.7
147.04408	12.0
147.08034	9.0
147.11691	7.2
149.05965	2.9
149.09628	10.6
149.13260	7.4
151.03915	2.8
151.11156	4.0
153.12665	3.0
155.08621	2.8
157.10088	8.8
159.11678	8.7
161.09576	4.9
163.05948	2.6
163.11171	15.5
165.09138	6.9
167.07050	8.9
171.11661	4.7
173.09621	4.7
173.13216	2.4
175.03899	8.3
175.11235	3.0
177.05547	14.3
177.12732	6.7
179.06967	2.4
181.04895	7.3
181.10088	2.3
181.12178	4.6
184.07310	8.5
187.11002	3.5
189.11230	12.3
189.12703	3.0
191.07004	4.2
191.10683	3.9
191.14099	2.3
193.12215	3.6
195.13849	3.8
199.14828	3.2
201.12379	2.5
207.06531	14.1
217.15843	6.4
223.13234	4.4
227.12788	8.6
233.15395	7.1
245.19098	4.2
255.15576	2.4
255.17589	3.1
265.97739	2.2
267.15964	4.7
269.17471	29.5
273.18503	25.8
287.05447	5.3
291.19537	39.5
297.17078	3.7
299.14859	5.1
301.06924	4.6
307.18970	2.4
309.20554	6.9
325.20026	2.7
347.22247	12.5
357.13138	3.4
365.23196	65.6
375.10571	4.3
383.24240	100.0
407.24457	2.4
491.26132	6.0
509.27475	2.4
527.28522	4.8
545.29358	4.8
742.39124	5.5
743.25403	2.4
743.48218	2.5
754.49219	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	741.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
53.65521	1.2
55.01854	3.7
55.05513	11.2
57.03434	6.8
61.02921	1.6
65.03935	2.1
67.05502	15.8
69.03429	7.8
69.07064	10.1
71.01344	1.3
71.04594	2.1
71.04993	42.0
71.58967	2.6
73.02923	2.2
75.04486	1.3
75.63269	1.3
79.05499	16.1
80.36795	1.4
81.03410	5.5
81.07058	23.5
83.04972	4.2
83.08612	5.1
84.04479	1.7
85.02907	37.8
91.05483	11.3
93.07040	13.8
95.04953	4.4
95.08617	8.4
97.02869	2.8
97.06525	3.3
97.10140	2.4
99.04439	1.8
103.05458	1.3
105.07030	13.7
107.04955	3.6
107.08605	10.4
109.02869	2.7
109.06510	1.8
109.10139	3.3
111.04421	3.5
117.07007	4.0
119.08573	8.8
120.04478	1.3
121.02846	3.2
121.10154	6.8
123.04408	2.0
123.08078	3.8
123.11697	2.9
125.09657	3.2
127.03901	4.7
129.05466	5.3
129.07042	1.7
131.08591	6.0
133.10149	6.5
135.08032	2.2
135.11691	2.7
137.02330	22.4
137.03305	2.5
138.05547	1.7
143.08646	1.4
145.10083	4.2
147.04369	1.8
147.11691	5.3
147.29904	1.2
149.09613	5.1
151.11177	1.9
153.01802	5.4
157.06548	1.3
157.10063	1.5
159.11714	3.1
163.03882	2.0
163.11227	1.5
165.01781	2.1
171.11743	1.4
173.13243	1.4
183.02864	2.6
183.11752	1.7
184.07373	1.4
189.11214	2.9
213.05435	3.7
229.05054	2.2
241.04886	2.4
257.19238	1.5
275.20071	10.5
285.03729	1.9
287.05502	100.0
288.06033	2.7
299.05463	4.4
303.05029	8.1
311.05490	2.5
313.06870	2.1
315.04980	95.0
316.05466	2.4
325.07083	2.3
327.05038	9.2
328.05533	1.3
329.02899	2.2
329.06543	5.0
337.06915	2.3
339.04938	17.0
340.05753	3.7
341.02716	1.9
341.06552	13.6
343.58493	1.3
349.23453	1.6
352.05853	1.7
353.06363	8.7
354.07065	2.0
355.08246	2.6
357.05923	7.9
365.06570	3.2
366.07251	1.5
367.08133	4.3
379.07968	4.5
381.06070	3.2
383.11337	14.5
385.12518	1.7
393.09650	2.6
395.11331	27.7
407.11459	7.2
411.10770	3.1
419.11255	2.4
425.12366	1.8
437.12460	1.8
463.17383	4.2
475.17484	2.1
491.17075	8.1
505.19159	1.5
509.17807	4.2
521.18042	4.3
523.19495	2.7
531.24036	1.9
559.23273	15.7
577.24329	74.3
578.24072	2.7
595.25330	39.7
601.23572	2.5
619.25562	8.1
637.25427	1.9
643.24603	2.2
687.27496	4.6
705.28644	4.6
723.29681	3.2
741.38745	2.6
764.57153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01867	3.3
55.05264	2.1
55.05511	25.8
55.78035	1.3
56.69994	1.2
57.03442	5.6
59.05008	1.4
61.02904	1.1
67.05228	1.2
67.05508	12.3
69.03431	6.0
69.07051	5.8
71.04996	27.2
71.18661	2.3
71.18996	2.3
75.04462	1.6
79.05497	12.1
79.12199	1.1
81.03408	4.0
81.07056	15.2
83.04978	3.5
83.08614	15.9
84.84530	1.1
85.02902	27.9
90.74549	1.0
91.05470	9.2
93.07042	12.8
95.04958	5.1
95.08604	16.7
97.06518	1.4
97.10171	1.3
105.07018	5.6
107.04977	2.0
107.08590	4.9
109.06560	1.9
109.10147	3.8
113.09644	2.8
117.07032	3.0
119.08591	5.1
121.02844	1.5
121.06433	1.3
121.10141	4.0
123.11652	1.5
125.09684	1.2
127.03935	1.5
129.05464	5.0
129.06963	1.7
131.08543	3.8
133.10149	3.1
135.08090	1.6
135.11670	2.5
137.02339	31.6
137.03381	1.6
143.42067	1.3
145.10126	2.0
147.07797	1.6
147.11687	2.6
149.02299	1.5
149.09608	1.6
161.02365	2.3
163.03929	1.3
167.03439	1.7
175.03943	1.5
177.05362	1.2
184.07349	1.3
187.03949	1.3
189.01860	2.3
189.05284	1.5
197.05983	1.4
199.03848	2.0
203.03383	2.1
206.01772	1.2
207.03003	1.7
217.04961	1.9
217.43266	1.2
229.05022	1.5
237.05428	2.0
241.04930	2.2
243.02676	1.6
265.04977	2.1
269.04419	1.6
275.20047	3.2
279.06400	1.6
283.06100	2.4
287.05515	3.9
293.20804	1.4
299.05475	7.0
301.03442	1.6
302.04282	2.8
303.04980	17.6
307.06161	1.4
309.07825	1.4
311.05463	4.1
312.06174	1.3
313.06976	3.7
315.04974	30.1
316.05688	2.1
324.06155	2.1
325.06992	3.4
326.04135	1.9
327.04950	13.7
329.06512	6.0
337.07004	2.5
339.04996	46.8
340.05756	3.9
341.06573	16.9
343.08228	1.7
345.06042	5.8
349.07169	1.4
351.04745	1.6
351.08551	1.8
352.05746	1.8
353.06537	20.4
355.08115	3.3
357.06125	2.7
363.04663	1.5
365.06470	4.4
367.08212	5.9
369.06091	2.9
377.06360	2.1
377.14078	1.3
379.08151	3.3
381.05835	4.3
393.09955	2.2
395.07587	3.0
407.07544	2.8
423.14471	2.9
431.09665	1.6
435.14087	3.0
451.13837	26.1
465.15317	5.5
467.17191	2.0
469.14883	7.4
475.13803	6.0
481.14954	5.0
483.16449	2.5
489.15021	2.3
491.17273	7.0
493.14685	4.9
507.16360	1.9
515.16241	1.6
517.15100	1.4
543.16388	1.9
559.23071	2.2
561.16968	2.2
561.25061	1.8
577.24353	41.0
579.25781	1.8
589.24109	7.3
595.25336	100.0
596.25507	5.1
601.24176	10.9
607.25391	13.1
619.25305	32.2
637.16492	1.9
637.26392	22.9
643.25220	6.5
661.26202	19.6
669.26947	8.5
687.27911	22.6
705.29108	11.5
723.30389	2.3
741.40192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.0
54.56966	3.4
55.01868	5.6
55.05512	19.3
57.03444	15.7
60.52549	2.8
61.02917	4.2
63.63946	2.7
67.05505	52.6
69.03427	22.1
69.07072	17.5
71.04989	64.0
71.33292	7.5
79.05489	30.7
81.03423	32.3
81.07056	88.4
82.07387	9.4
83.04982	10.1
83.08621	10.4
84.04503	3.8
85.02907	57.8
85.06531	7.5
88.35058	3.0
91.05482	41.8
93.07039	32.4
94.07339	4.9
95.04967	21.6
95.08610	22.0
97.02887	8.4
97.06528	9.7
97.10158	5.5
104.50134	2.9
105.07021	26.1
106.07348	3.9
107.04944	14.5
107.08598	16.6
108.05289	3.0
109.06517	15.7
109.10154	17.9
111.04502	4.0
117.06999	9.5
119.08598	16.7
121.02908	7.9
121.06496	11.5
121.10139	20.7
122.10474	3.4
123.04415	5.8
123.08070	6.1
123.11712	12.1
125.09636	5.4
126.05573	4.0
128.06224	3.4
129.05472	9.0
129.06958	3.7
131.08589	14.9
133.10141	12.8
134.10507	4.3
135.08064	5.7
135.11658	4.9
137.02333	71.3
137.03400	4.4
138.05467	3.6
145.06540	3.6
145.10089	5.1
147.07942	3.3
147.11711	12.1
149.02299	3.1
149.09662	7.5
157.10133	5.2
159.08170	4.7
159.11670	4.2
163.11177	4.3
165.01933	5.7
165.12706	3.7
183.02878	4.7
194.12685	3.7
203.03365	5.0
219.13780	3.7
267.15942	8.3
268.16321	4.2
275.20105	5.9
276.20813	3.4
284.98181	3.4
287.05527	17.7
299.05466	22.6
301.20239	3.5
303.04932	20.3
311.05478	5.0
313.07053	7.4
315.04941	88.9
316.06003	7.6
323.05249	6.4
326.04132	8.2
327.04871	21.5
329.06543	9.7
337.07077	7.8
339.04968	33.4
340.05774	6.0
341.06430	17.0
343.04410	5.8
345.06473	3.6
349.23694	4.5
350.23981	5.6
351.08582	6.1
353.06525	27.6
365.06439	17.1
366.07159	3.9
367.08072	4.7
377.06647	3.8
379.07980	8.0
379.12042	5.6
381.05936	7.2
383.11526	20.7
385.12616	7.1
391.08069	3.6
395.07303	3.8
395.11316	44.8
406.26852	3.9
407.11575	30.6
409.12592	8.0
417.26633	3.7
418.26413	4.6
435.27338	9.2
436.27783	11.1
437.12482	7.7
443.27670	4.2
444.28387	8.6
461.11954	5.3
461.28958	54.6
462.29297	87.8
467.17044	3.5
487.13657	5.6
491.16965	4.4
498.24332	3.4
503.16479	4.5
505.15283	11.5
515.16595	4.3
521.17932	20.2
533.18256	4.0
559.23047	27.2
561.24603	13.3
577.24310	100.0
578.24115	4.3
579.25934	9.4
581.93854	4.4
583.19977	6.7
589.24237	10.5
595.25507	32.2
601.24506	23.9
606.04565	3.5
619.24463	12.7
643.25598	6.2
651.25610	7.2
661.26215	5.6
669.26862	23.0
687.28040	19.9
705.28400	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	741.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.2
57.03437	13.7
59.04993	2.1
65.71068	2.0
67.05518	2.3
69.03425	18.9
69.98080	5.3
69.98495	7.8
70.06594	13.0
71.01355	2.5
71.04993	87.8
72.08157	2.9
73.02914	9.5
75.04476	4.6
78.52453	2.0
80.60132	2.0
83.04973	26.8
84.08137	3.4
85.02901	100.0
86.09712	3.1
87.04503	2.2
95.04976	5.3
99.04485	5.1
111.04439	21.5
117.05486	5.5
123.26241	2.4
127.03945	4.2
129.05476	32.3
137.02319	14.2
147.04356	2.6
147.06548	9.8
153.05473	5.2
157.10796	3.6
159.04196	2.6
163.06049	8.8
171.06631	2.6
177.05542	2.4
184.07289	3.6
201.05521	2.8
201.07481	2.8
213.36859	2.6
229.04863	4.8
239.09232	6.7
257.10297	2.5
275.11362	4.5
287.05548	9.2
299.05511	2.7
302.04337	5.1
303.04962	81.9
315.04959	26.1
316.05676	4.2
327.05048	13.5
329.06445	2.8
341.06723	4.2
345.06046	57.4
353.06604	4.6
369.05920	15.3
395.07724	9.1
413.08743	31.9
431.09772	15.2
449.10779	51.8
455.09824	2.8
473.10855	3.5
491.11700	4.6
541.13135	4.5
595.16663	20.6
741.27167	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.6
57.07071	0.4
58.06356	0.3
58.06621	0.7
59.07385	0.3
60.08160	5.9
67.05491	0.7
69.55307	0.2
71.07365	2.9
71.08627	0.2
71.58173	0.3
73.13966	0.2
79.05489	0.3
81.07032	0.3
86.09702	27.5
91.05465	0.3
93.07032	0.6
93.49246	0.2
95.08598	0.4
97.34473	0.2
98.98463	2.3
104.10735	2.2
105.07037	0.3
107.08678	0.2
113.01218	0.2
124.99997	17.8
133.10037	0.3
141.17851	0.2
143.01047	0.4
147.11678	0.2
149.02277	0.2
184.07329	100.0
185.07658	0.6
192.09439	0.2
212.36920	0.2
283.15570	0.2
302.04108	0.8
303.04532	0.5
317.06610	1.5
318.06769	0.8
336.04111	0.2
509.35159	0.2
626.55841	0.2
650.43854	8.2
651.43475	0.3
740.47003	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2235
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
55.01867	0.5
55.05505	0.7
55.92702	0.2
57.03434	1.8
61.02906	1.0
69.03434	1.5
70.06571	0.4
70.71925	0.7
71.01339	0.3
71.04991	13.5
71.64480	0.3
72.08131	0.5
73.02914	1.4
75.04480	0.6
76.01645	0.2
78.67850	0.3
79.05467	0.3
79.72614	0.3
81.03420	0.7
83.04981	3.5
84.04507	0.3
84.08148	0.4
85.02903	17.7
87.04469	0.6
91.03963	0.3
91.05486	0.4
95.04956	0.5
97.02882	1.2
99.04442	1.1
102.31544	0.3
105.07018	0.3
107.04974	0.5
109.02862	0.8
111.00816	0.5
111.04448	2.9
117.05469	0.5
121.02876	2.1
121.06435	0.4
124.07443	0.3
127.03875	0.7
129.05478	4.9
133.02858	0.4
137.02304	0.8
145.04961	0.5
147.06537	1.8
153.01825	2.6
153.05438	1.0
157.04958	0.3
159.06488	0.3
163.06017	0.9
165.01828	0.9
171.06511	0.6
171.63626	0.3
183.02908	0.6
185.05988	0.4
201.07541	0.4
210.36459	0.2
213.05475	1.0
213.07423	0.3
214.77785	0.3
231.06450	0.6
239.09149	0.8
240.47731	0.3
241.05017	0.7
255.08655	0.3
258.05292	0.9
259.05765	0.3
271.05991	0.3
275.11093	0.3
287.05490	100.0
288.05789	1.1
299.05505	0.7
303.04901	0.7
325.07239	0.3
329.06543	1.3
353.06516	0.5
379.07761	0.4
397.09146	0.8
415.10257	0.5
433.11502	1.5
449.10965	1.6
513.96124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01867	2.3
55.05508	12.4
57.03431	8.5
57.07057	1.4
61.02917	1.2
65.03939	1.8
67.05502	36.3
69.03424	2.1
69.07072	12.8
69.94688	4.3
71.04972	1.7
74.25004	1.1
77.03926	1.0
79.05492	29.6
80.42900	1.0
81.03388	2.1
81.06585	2.0
81.07053	36.8
83.08613	7.5
85.02892	2.9
86.09682	1.9
88.10363	0.8
91.05481	13.7
93.07039	44.5
95.04971	5.7
95.08604	46.3
96.08893	1.0
97.02885	2.7
97.06514	3.3
97.10136	1.1
99.04432	3.5
103.05430	1.4
105.07018	10.7
107.04960	5.4
107.08592	27.7
109.06540	1.5
109.10153	8.4
117.07040	8.7
119.08572	11.3
121.06477	3.5
121.10144	16.7
122.98235	0.9
123.11670	2.4
124.09308	0.9
124.99995	1.4
125.05958	2.0
131.08556	4.2
133.10126	4.2
135.08083	1.4
135.11687	38.8
137.09621	1.4
139.07587	1.1
139.11188	1.1
145.10120	24.2
147.11671	2.1
149.13261	2.7
159.11694	2.0
161.13249	1.7
163.11176	37.3
173.13289	1.7
181.12241	8.3
184.07301	3.3
187.14877	1.1
205.87190	1.0
227.12773	55.1
228.13057	1.0
243.21094	1.3
261.22110	7.5
283.15402	46.4
317.24701	2.5
323.13162	1.1
335.25790	100.0
336.26169	3.9
355.59506	1.0
543.36810	68.4
544.37250	2.5
561.69940	1.1
576.87225	1.1
583.21338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.3
56.05030	1.2
57.03437	1.1
68.05024	0.7
68.99795	2.0
69.03414	1.5
69.09393	0.7
69.22137	0.6
70.06585	3.4
71.15541	1.7
72.08150	1.1
73.02893	1.6
75.29795	0.8
79.05491	0.9
82.03652	0.8
82.06569	2.4
83.06105	6.9
84.04503	8.4
84.08135	1.0
85.02900	2.1
86.09676	1.3
91.05439	0.8
95.01319	1.3
96.04487	0.9
97.02890	1.1
98.21133	0.8
99.05566	2.0
107.06083	4.0
108.04481	2.3
109.07634	10.1
110.06026	1.1
112.03976	0.9
123.00814	3.6
129.06604	8.3
130.05038	4.2
135.05504	1.5
135.11713	0.8
136.03922	4.1
136.07605	1.4
137.05927	0.7
140.88181	0.7
142.04959	0.7
145.02888	0.7
145.06082	1.6
147.04420	1.4
153.00043	2.9
153.01845	9.5
153.06577	9.9
155.08162	6.6
162.02283	0.9
164.07118	1.0
165.01944	1.0
166.00871	0.8
167.07047	0.7
168.05327	1.2
168.99596	0.8
176.04659	1.0
177.00049	2.8
177.03290	1.1
177.05461	1.0
179.01630	7.8
180.99516	1.6
181.06117	3.5
186.06445	0.8
191.01640	2.9
191.14261	1.2
192.97942	0.8
192.99550	4.2
196.99016	1.3
199.07150	9.1
203.01663	0.7
207.01132	8.7
208.06070	2.9
211.07120	0.9
219.01128	1.7
220.99046	10.2
222.23248	0.9
224.98511	0.8
231.01042	1.5
233.02727	0.9
235.00607	2.0
239.00084	7.5
243.00990	1.7
244.03596	0.8
247.00641	1.2
257.07684	2.5
259.00586	3.6
261.04019	2.7
263.00162	1.7
271.00616	2.7
277.01675	15.4
285.02100	0.8
287.00064	3.1
288.00864	4.0
289.01459	0.8
298.04529	1.7
298.99911	0.8
300.02615	2.9
302.04349	1.1
303.03055	1.6
305.01147	100.0
306.01352	1.1
313.03796	5.5
314.99518	1.2
317.01163	8.4
329.01208	1.3
331.02695	14.3
333.00626	56.9
335.02240	10.8
341.01074	2.1
359.02197	18.1
376.04904	4.9
424.34869	0.7
442.05917	3.2
445.26953	0.8
462.04886	32.0
470.04855	0.9
479.07562	43.3
480.08041	1.8
533.08588	29.3
545.08478	3.9
590.10645	1.3
608.11792	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	738.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05032	0.6
57.03437	0.1
57.07079	0.3
58.06630	0.5
60.08161	6.0
67.05502	0.3
70.06596	0.1
70.25948	0.7
70.76868	0.1
71.07373	2.8
71.08643	0.3
79.05466	0.2
81.03426	0.7
81.07043	0.4
83.04991	0.1
83.08624	0.3
86.09702	29.7
87.10087	0.1
91.05476	0.2
93.07001	0.2
95.04993	0.2
95.08617	0.3
98.98460	3.1
104.10747	1.9
124.99999	18.5
143.01024	0.4
169.70807	0.1
175.11177	0.2
184.07333	100.0
185.07741	0.7
193.12233	0.3
243.69946	0.1
267.15878	0.8
313.27289	0.5
477.22855	0.1
496.33728	0.2
505.38657	0.5
532.84344	0.2
688.45471	5.2
714.83765	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	739.332
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	0.8
69.07044	0.4
71.59084	0.4
71.59460	0.3
73.92682	0.2
79.05466	0.9
81.03396	0.5
81.07056	1.3
91.05470	0.6
93.07039	0.8
95.04975	0.3
95.08601	0.7
97.02910	0.4
105.07037	0.5
107.08597	0.3
109.02838	0.4
109.06449	0.3
109.10128	0.4
110.03650	0.9
121.10117	0.5
127.03899	0.3
131.08516	0.3
137.02368	2.3
150.03134	0.4
153.01778	1.0
177.00389	0.3
184.07355	0.7
200.04652	0.5
204.04233	0.5
217.04846	0.3
228.04181	2.2
229.04927	1.1
238.44824	0.3
245.04428	1.0
256.03586	0.4
257.04440	1.3
273.03961	1.0
274.04715	4.1
285.03885	1.1
301.00012	0.5
301.03415	10.3
302.04202	43.0
303.04556	0.9
317.06552	100.0
318.06866	2.5
497.68317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.05501	11.6
57.03430	8.6
64.44558	2.6
67.05505	35.4
69.07065	12.9
73.19064	2.9
75.54085	2.7
79.05499	40.6
81.03396	3.5
81.07059	37.4
83.04961	6.5
83.08616	5.7
89.66715	3.6
91.05481	30.9
93.07047	40.5
95.04965	9.5
95.08601	25.3
97.06519	4.2
97.10175	2.9
104.54594	3.1
105.07024	21.8
106.32400	3.0
107.08606	16.5
109.06515	5.6
109.10165	5.1
110.30585	3.1
117.06998	4.9
119.08625	17.2
121.10113	7.4
129.06998	4.6
131.08600	4.0
133.10095	6.3
135.08083	3.7
135.11684	7.4
141.14528	2.7
143.08533	4.4
145.10168	7.4
147.11691	12.8
161.13287	5.1
171.11676	9.8
171.27843	2.8
207.13852	11.0
211.69606	3.4
229.37367	3.2
261.22195	5.0
270.52316	3.0
281.17474	28.6
335.25797	61.8
336.26288	3.6
541.38898	100.0
542.39240	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	737.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45687	2.0
53.03935	9.3
55.01863	8.5
55.05268	2.7
55.05513	42.8
57.03437	13.6
59.04996	2.1
59.52967	2.3
61.02928	27.2
61.69104	2.0
65.03930	5.6
67.05504	73.6
69.03428	16.8
69.07067	25.8
70.07664	11.2
70.08042	4.8
71.04996	21.0
73.02898	7.8
79.05491	60.8
81.03411	23.4
81.07056	76.9
83.04985	16.9
83.08614	17.7
85.02895	20.2
85.06532	6.3
87.04438	2.3
91.03964	13.9
91.05479	58.6
93.07047	56.9
95.04976	16.8
95.08605	46.8
97.02880	20.6
97.06512	9.0
97.10165	19.9
99.04432	4.8
99.08102	4.0
103.93924	2.1
104.28995	2.3
105.06375	4.4
105.07023	43.9
107.04960	11.4
107.08582	33.5
109.02863	5.9
109.06508	9.8
109.10159	26.1
111.04459	4.2
111.08121	3.1
115.05447	6.3
117.07012	32.1
119.08575	37.9
121.06487	5.5
121.10142	21.2
123.08079	7.4
123.09750	2.2
123.11671	9.4
125.09651	15.2
127.03911	7.7
128.06200	5.8
129.07014	18.5
130.07739	4.5
131.08572	40.4
133.10124	33.0
135.08054	11.1
135.11691	10.2
137.09587	3.4
139.11188	2.6
141.06966	8.8
142.07748	6.8
143.08560	28.0
145.06464	4.2
145.10104	34.7
147.08034	6.7
147.11685	15.1
149.09593	9.1
149.13274	5.4
151.11128	5.3
154.07773	3.6
155.08553	17.8
156.09229	3.8
157.10118	30.6
159.08058	6.7
159.11678	24.7
161.09613	5.8
161.13252	5.2
163.11195	5.0
165.06999	3.1
167.08603	6.8
169.10133	19.9
171.11658	18.3
173.09636	5.9
173.11946	2.9
173.13303	13.1
175.11163	6.8
177.12770	3.9
179.08618	3.9
181.10062	11.0
182.10773	2.6
183.11707	17.9
185.09581	4.7
185.13286	13.4
187.11218	6.0
187.13289	2.6
187.14818	4.2
189.11197	10.5
189.12781	2.8
189.16275	2.8
193.10178	4.9
193.12192	3.6
195.11732	16.4
197.13295	13.9
199.11253	3.9
199.14885	6.2
200.11771	2.7
201.12714	3.5
205.10097	2.6
207.11702	3.2
209.13188	8.1
211.14822	6.4
215.14369	3.1
221.13292	3.9
223.14871	4.8
227.12585	11.8
229.16011	2.5
235.14867	4.2
237.16438	3.2
247.14757	3.3
251.18010	2.6
259.20505	4.1
267.15823	4.2
273.18665	3.7
275.20096	9.6
275.38879	2.3
277.75690	2.4
283.20432	5.4
285.18387	3.1
285.22226	7.2
291.19550	3.0
297.21948	5.0
299.20456	3.6
299.23691	10.7
301.21652	5.1
317.06387	5.1
321.22162	3.4
325.21576	3.1
339.23108	3.6
349.24170	4.8
353.24612	3.4
357.24146	2.8
387.25336	3.8
415.29797	5.5
423.32660	3.4
433.30902	23.2
443.27698	6.1
451.32047	16.6
461.28787	5.5
469.32907	7.7
471.32581	3.1
483.34589	4.2
489.33359	4.3
499.33539	4.0
507.35165	12.0
517.35272	36.1
525.35767	80.3
526.36395	4.4
539.37396	3.2
543.36835	100.0
544.37152	5.7
557.38635	22.6
575.39484	30.0
669.40021	2.8
679.40289	4.0
687.41077	8.1
705.41364	6.0
737.44781	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	737.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.8
55.01874	18.7
55.05512	32.3
57.03432	10.6
65.03939	6.8
67.05504	71.8
68.05826	3.2
68.63456	2.3
69.03424	15.4
69.07063	25.4
71.04988	29.7
71.58654	3.8
73.06523	2.9
79.05489	61.4
80.11843	2.4
81.03416	47.1
81.07052	100.0
81.97591	2.3
83.04963	19.8
83.08624	12.8
85.02908	12.6
85.06529	8.3
91.05477	65.2
92.05816	3.1
93.07038	51.5
95.04956	20.6
95.08612	33.4
96.67890	2.3
97.02870	15.7
97.06532	19.8
97.10168	11.2
99.04447	6.1
99.08100	5.1
105.07033	49.5
107.04960	13.8
107.08598	33.3
109.02859	7.3
109.06494	12.8
109.10149	19.9
111.04455	5.6
111.08063	6.1
115.05447	2.7
117.07031	19.0
119.08579	29.8
121.06494	8.2
121.10141	17.1
123.04438	4.4
123.08102	4.6
123.11696	13.3
125.09630	7.6
127.03893	9.3
128.06198	2.3
129.05484	4.6
129.07016	11.1
131.08563	22.9
133.06477	3.6
133.10121	26.2
135.08041	8.1
135.11682	8.5
137.09625	5.3
143.08559	10.7
145.06479	4.5
145.10135	16.2
147.08058	6.0
147.11679	20.6
149.09607	16.8
149.13254	8.7
151.11172	8.7
155.08519	3.9
156.09315	3.3
157.10144	6.9
159.08025	3.3
159.11688	13.2
161.09569	3.4
161.13243	5.6
163.11157	6.2
165.09084	2.8
165.12820	4.9
169.10126	7.6
171.11667	4.7
173.04427	14.5
173.09702	3.0
173.11786	3.0
173.13322	6.1
175.11182	3.9
177.12711	5.6
179.14299	2.6
181.10110	3.1
183.11678	5.2
183.13853	5.3
185.07961	2.3
185.13231	3.4
187.11128	2.6
187.13269	6.1
189.11197	4.2
193.12285	3.8
207.13889	2.5
211.14873	3.5
227.12779	9.1
243.15987	3.0
247.20450	3.4
257.19077	4.7
267.15869	5.7
269.17572	6.8
273.18417	4.8
275.20081	52.6
291.19498	5.1
293.21036	6.4
301.20291	2.5
349.23795	17.5
413.21732	5.2
517.35217	26.8
519.36505	3.6
525.35846	4.4
531.36859	3.3
543.36749	24.1
549.38019	2.4
575.38062	5.0
687.40814	7.5
719.42664	4.0
737.33728	2.9
737.44788	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	735.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
55.01863	11.4
55.05505	7.2
56.05032	2.8
57.03440	28.6
65.03942	4.5
67.05505	10.2
69.03435	14.8
69.07059	8.9
69.67692	10.5
69.68109	5.8
70.06581	11.7
71.01356	21.1
71.04989	6.2
72.08151	4.9
73.02919	31.0
74.06082	2.3
75.04476	7.4
76.02185	1.9
79.05495	35.5
81.03415	6.2
81.07061	44.3
83.01347	4.1
83.04976	6.5
84.04513	3.7
84.08142	6.7
85.02904	68.1
85.04852	2.1
85.06565	2.1
86.09702	4.9
91.05477	46.1
91.69971	2.0
92.05801	2.2
93.07043	100.0
93.07633	5.1
95.01327	19.3
95.04967	20.5
95.08613	10.7
97.02898	20.7
97.06513	16.3
99.00817	7.0
99.04448	13.6
101.02390	5.2
101.06000	4.1
103.03939	10.2
103.05471	5.2
105.04527	2.6
105.07034	82.3
107.04956	8.8
107.08597	31.9
109.06531	23.2
109.10106	3.4
111.04454	2.5
113.02370	18.5
115.05459	4.0
117.05509	3.6
117.07033	7.3
119.04939	12.6
119.08587	63.4
119.09461	3.2
120.08111	4.2
120.08920	2.7
121.06508	85.1
121.10143	10.7
123.04446	5.6
123.08050	6.0
127.07580	8.5
128.06212	5.2
129.05489	14.1
129.07025	12.0
130.04990	4.5
130.07814	3.8
131.03419	15.2
131.04926	3.5
131.08542	11.1
133.06508	9.7
133.10141	25.4
135.04459	4.4
135.08032	13.6
137.02344	2.8
137.05980	25.6
139.07553	10.5
141.01817	37.3
141.05492	3.0
142.07793	10.4
143.08580	16.2
145.02853	6.9
145.06523	3.7
145.10115	19.0
146.06029	2.8
147.04402	25.4
147.08022	11.3
147.11682	64.9
149.05977	2.4
151.03964	2.8
151.07570	3.1
155.08549	5.0
155.50714	2.2
156.08147	2.8
156.09373	9.8
157.10098	26.9
159.02893	3.9
159.08119	5.0
159.11662	6.8
160.08813	2.5
161.05974	4.3
161.09650	5.7
161.13255	37.5
163.07585	4.8
166.07841	3.4
167.07095	3.3
168.15469	1.9
169.05006	4.3
171.06534	3.9
171.10246	4.3
171.11665	36.4
173.09647	5.7
173.13248	4.4
174.10463	2.4
175.03951	9.6
175.07594	4.9
175.11169	33.6
177.05437	12.1
181.08687	2.3
181.10126	4.9
187.05965	2.7
187.11209	3.2
189.12759	63.4
191.08266	3.3
193.12213	2.4
195.10153	17.4
197.04408	4.0
199.11201	21.4
205.08539	3.2
207.06546	15.0
207.13774	16.1
209.11653	2.7
215.05457	12.1
217.12236	97.5
230.15450	3.2
233.06500	2.4
235.13286	19.4
253.14445	6.1
273.14798	3.9
287.05542	5.4
291.15912	40.7
303.04767	4.2
305.08453	4.5
307.12909	3.8
309.11679	2.6
309.16974	63.7
350.13492	5.1
357.93201	2.3
365.19635	8.2
383.20630	19.0
407.20847	3.8
431.17081	4.2
435.27985	2.4
444.64203	2.6
467.19391	5.1
468.28232	2.2
541.22809	8.0
543.20721	2.4
559.23431	3.3
573.22589	3.0
717.27362	2.6
735.27448	7.3
735.38525	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	733.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.3
55.01873	16.6
55.05515	33.0
57.03434	25.0
61.02913	6.6
65.03940	11.2
67.05501	99.6
69.03426	11.4
69.07063	21.5
71.05001	6.5
71.58125	4.3
73.02913	5.9
79.05492	85.5
80.96559	6.0
81.03416	41.1
81.07056	73.6
83.04981	12.5
83.08622	13.7
85.02911	10.2
85.06531	12.9
85.53877	4.4
91.05479	78.8
93.07039	61.4
95.04966	100.0
95.08595	38.2
97.02887	13.1
97.06520	13.9
97.10167	5.9
99.04440	5.1
103.05493	7.7
105.07027	62.2
107.04948	21.3
107.08568	39.6
109.02888	10.5
109.06512	72.1
109.10165	15.2
113.06007	23.8
117.07004	34.0
119.08588	42.3
119.09378	6.9
121.06497	12.4
121.10152	16.5
123.08120	10.3
125.09698	6.8
127.03912	10.2
128.06258	9.0
129.07002	23.4
131.04919	5.7
131.08572	33.6
133.06493	12.9
133.10135	27.5
135.08054	41.6
135.11691	14.2
136.06189	27.8
143.08566	25.2
145.06512	11.4
145.10130	21.4
147.08000	11.1
147.11671	20.3
149.09622	12.0
149.13199	5.7
155.08578	8.8
157.10097	10.5
159.07994	7.7
159.11725	15.7
161.09648	14.9
161.13287	5.5
163.11182	5.9
167.08502	4.9
169.10179	9.5
171.11690	21.4
173.04472	9.9
173.09634	7.4
173.13234	7.9
175.11226	7.5
177.12675	6.6
181.10153	7.5
183.11693	6.6
187.11179	9.7
189.12762	5.2
207.13896	7.7
217.15932	13.8
219.13902	4.5
268.03870	5.2
268.21332	4.7
269.15106	6.1
273.18497	56.0
275.20071	15.4
279.15924	17.1
281.17514	19.7
287.16415	8.2
291.19501	80.6
347.22125	14.8
365.23416	15.2
387.52750	5.8
395.19162	5.5
425.21875	6.8
441.18948	4.9
553.35010	23.6
571.36145	28.7
715.40552	7.4
733.43964	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	733.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.3
55.01873	16.6
55.05515	33.0
57.03434	25.0
61.02913	6.6
65.03940	11.2
67.05501	99.6
69.03426	11.4
69.07063	21.5
71.05001	6.5
71.58125	4.3
73.02913	5.9
79.05492	85.5
80.96559	6.0
81.03416	41.1
81.07056	73.6
83.04981	12.5
83.08622	13.7
85.02911	10.2
85.06531	12.9
85.53877	4.4
91.05479	78.8
93.07039	61.4
95.04966	100.0
95.08595	38.2
97.02887	13.1
97.06520	13.9
97.10167	5.9
99.04440	5.1
103.05493	7.7
105.07027	62.2
107.04948	21.3
107.08568	39.6
109.02888	10.5
109.06512	72.1
109.10165	15.2
113.06007	23.8
117.07004	34.0
119.08588	42.3
119.09378	6.9
121.06497	12.4
121.10152	16.5
123.08120	10.3
125.09698	6.8
127.03912	10.2
128.06258	9.0
129.07002	23.4
131.04919	5.7
131.08572	33.6
133.06493	12.9
133.10135	27.5
135.08054	41.6
135.11691	14.2
136.06189	27.8
143.08566	25.2
145.06512	11.4
145.10130	21.4
147.08000	11.1
147.11671	20.3
149.09622	12.0
149.13199	5.7
155.08578	8.8
157.10097	10.5
159.07994	7.7
159.11725	15.7
161.09648	14.9
161.13287	5.5
163.11182	5.9
167.08502	4.9
169.10179	9.5
171.11690	21.4
173.04472	9.9
173.09634	7.4
173.13234	7.9
175.11226	7.5
177.12675	6.6
181.10153	7.5
183.11693	6.6
187.11179	9.7
189.12762	5.2
207.13896	7.7
217.15932	13.8
219.13902	4.5
268.03870	5.2
268.21332	4.7
269.15106	6.1
273.18497	56.0
275.20071	15.4
279.15924	17.1
281.17514	19.7
287.16415	8.2
291.19501	80.6
347.22125	14.8
365.23416	15.2
387.52750	5.8
395.19162	5.5
425.21875	6.8
441.18948	4.9
553.35010	23.6
571.36145	28.7
715.40552	7.4
733.43964	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	731.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35588	0.3
61.64453	0.4
70.06574	0.6
81.03455	0.4
81.07057	0.8
85.02908	0.6
91.05478	0.7
93.07068	0.6
98.20709	1.0
111.04450	0.4
112.26308	0.4
127.04879	0.4
136.06242	0.6
147.64243	0.3
149.09612	0.4
163.48300	0.4
185.04181	0.5
203.05305	1.7
257.31830	0.4
259.07950	2.8
295.15356	0.6
333.20197	0.5
347.09543	1.3
351.45917	0.3
365.10562	3.2
368.56638	0.4
407.24008	1.8
421.13132	1.5
457.20520	4.5
471.21863	3.9
484.29767	0.4
487.21652	0.7
569.29333	14.7
570.29559	0.6
619.26050	1.5
620.46228	0.5
633.27032	1.0
731.34576	100.0
732.34985	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	731.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
67.05495	1.4
69.03410	0.6
70.68121	0.6
70.82886	0.5
71.58111	0.9
73.02879	0.7
79.05494	0.6
81.03410	0.7
81.07066	1.0
83.04977	0.7
85.22456	0.6
91.05482	1.3
93.07021	1.1
95.08557	0.6
97.02872	0.6
109.10172	0.8
121.10127	0.6
123.27929	0.5
131.08626	0.7
132.88870	0.5
147.04437	0.6
185.04234	0.9
187.86597	0.6
201.03662	0.9
203.05380	1.5
207.06778	0.6
259.07956	1.9
265.14575	0.6
295.15628	0.6
331.10083	1.4
347.09464	2.3
365.10507	1.5
407.24051	2.3
441.20923	2.0
457.20395	3.0
471.21603	3.0
493.15509	1.6
499.21213	1.0
569.29266	17.2
570.29498	1.0
603.26208	1.6
619.25635	0.8
731.34607	100.0
732.34436	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	731.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26746	0.4
61.02915	0.7
64.46400	0.4
67.05497	1.0
69.03415	0.7
69.54431	2.2
69.54856	1.4
70.06596	0.8
79.05488	0.9
81.07072	0.6
81.61996	0.4
84.38487	0.4
84.74388	0.4
85.02911	0.8
91.05489	0.9
93.07074	0.5
95.08667	0.5
105.07034	0.7
114.10157	0.5
119.08598	0.7
121.10130	0.8
147.04413	0.5
149.09636	0.5
169.49385	0.5
185.04269	1.1
201.03757	1.1
203.05212	2.1
240.41171	0.5
247.16200	0.5
259.07928	2.4
311.29489	0.7
331.10080	2.0
347.09717	2.2
363.09076	0.9
365.10574	3.0
407.23911	2.5
421.13138	1.4
437.12152	0.7
457.20520	1.3
471.22104	1.3
483.22504	0.5
487.21362	0.6
493.15366	1.5
507.17200	0.7
543.38971	0.5
569.29370	12.6
592.85724	0.4
593.24091	0.5
633.27783	0.9
731.34583	100.0
732.35217	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	731.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.6
57.03439	1.4
61.02916	1.8
65.03934	2.7
67.05494	4.4
69.03412	2.5
69.07056	1.9
69.84890	5.0
70.06590	6.7
71.04993	2.4
72.08138	2.6
73.02895	1.4
79.05487	3.6
81.03412	5.3
81.07045	5.4
83.04982	2.6
83.08649	1.5
84.04480	1.2
84.08142	3.0
85.02908	5.1
85.03372	1.1
85.06555	1.3
86.09700	2.2
87.59322	1.1
88.03952	1.2
89.03927	1.1
91.05470	24.3
91.08902	1.0
93.07043	8.7
95.04958	4.1
95.08618	3.0
97.02915	3.4
98.09728	1.1
103.05466	2.4
105.07030	1.9
107.04950	1.6
107.08608	2.5
109.02875	2.7
109.06548	1.3
109.10132	2.5
111.04433	2.3
115.05453	1.6
117.03422	2.6
117.07065	1.5
119.04936	29.0
119.08594	2.6
120.08111	2.6
120.08955	1.1
120.70231	1.1
121.06497	2.5
121.10142	5.7
123.04418	2.0
123.11729	1.8
127.03975	1.9
129.07037	1.8
129.10226	1.5
131.04933	4.8
133.06467	2.1
133.10149	1.7
135.04401	1.6
137.02362	1.1
137.05966	22.0
138.48735	1.2
145.02843	7.7
145.04994	1.1
145.06464	1.7
145.10098	2.5
147.04413	31.4
147.07976	1.2
149.05992	1.3
149.09596	2.0
151.03894	1.3
151.07550	2.2
152.01862	1.3
153.01822	1.4
157.03978	1.5
160.05260	1.1
161.05977	2.6
163.03879	2.3
163.07558	4.6
165.09152	1.3
167.07051	9.8
174.06720	1.3
175.03897	43.1
175.07503	2.7
177.05435	15.6
179.07056	3.0
181.04977	2.1
187.05600	1.1
187.07516	2.3
189.09186	2.0
191.07193	1.5
191.10605	1.2
192.04147	2.2
193.05031	1.6
193.08528	1.3
203.10704	1.5
207.06511	100.0
209.08025	1.6
217.08441	1.4
219.10155	1.9
220.09753	1.2
225.07538	6.2
255.06573	1.5
257.14957	1.5
351.10754	1.3
351.15921	1.6
369.11841	4.4
567.28729	1.5
731.33112	4.7
764.01062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
53.69952	0.7
55.01863	1.7
55.02989	5.9
55.05510	5.5
56.05022	1.2
58.38107	0.8
60.05655	6.5
65.03933	2.6
66.20286	0.7
67.05494	5.9
69.03421	3.3
69.53207	5.5
70.06590	7.3
70.15265	0.8
72.04492	0.9
72.08154	46.4
79.05495	1.1
82.02930	2.3
83.04969	6.9
84.04516	1.2
84.08160	1.7
85.02918	1.8
86.09710	2.5
87.00854	1.2
89.03921	3.4
89.10773	0.9
91.05477	2.5
93.03414	3.2
95.04973	10.5
97.07649	31.2
98.02380	4.9
98.06041	2.2
102.05518	1.0
105.01883	0.9
107.04950	4.6
110.02399	43.4
110.07185	1.0
111.04428	12.9
114.10286	60.3
115.08687	3.9
117.03390	7.8
119.04959	3.5
120.08162	1.0
121.02873	2.7
121.11202	0.7
124.32673	0.8
129.05504	1.5
129.10228	1.1
131.12915	10.7
135.04451	1.1
137.06004	1.9
139.03900	9.5
140.04637	1.1
141.01912	0.9
143.54346	0.9
145.02838	45.2
147.04408	14.3
149.06009	5.2
151.08664	1.4
152.07062	58.3
157.04994	3.3
163.03928	1.4
166.09814	1.4
169.09721	2.7
170.08188	3.4
177.05467	100.0
178.05823	1.3
183.08093	2.0
194.09244	37.2
199.06038	2.0
211.07542	2.0
211.11902	11.5
211.13783	1.0
217.05057	1.8
217.07190	2.1
219.90366	0.8
228.07834	1.3
235.07571	1.7
242.09445	4.1
243.10310	1.9
247.14423	4.7
248.12852	4.8
249.56108	1.0
260.14075	0.9
263.49780	0.8
277.16461	5.3
290.14938	4.3
295.09967	1.5
307.17606	30.3
308.17972	1.0
371.68732	0.8
436.18774	2.2
453.21320	36.0
453.27545	1.9
471.22308	6.8
499.27084	0.9
559.18799	1.0
627.26581	1.9
645.27527	2.9
669.27563	9.7
685.27338	1.7
687.28693	44.4
713.26855	1.9
731.27625	72.9
732.27844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52208	0.9
55.01870	1.6
55.02989	8.3
55.05507	8.2
60.05644	2.5
63.83966	1.0
65.03922	3.4
67.05508	6.9
68.05035	2.5
69.03424	4.4
70.02948	1.1
70.06586	8.8
71.04996	1.0
71.57849	1.6
72.08152	36.3
74.06062	1.0
79.05523	1.6
80.01363	1.7
81.07049	1.1
82.02944	4.3
83.04974	9.1
84.04472	1.1
84.08151	1.9
85.02902	2.6
86.09713	3.0
87.00849	1.2
93.03413	3.6
95.04958	13.8
97.07653	39.2
98.02413	9.2
98.06049	4.4
99.00838	2.3
106.06537	1.3
107.04948	18.0
110.02395	92.0
111.04428	13.8
114.10282	17.0
115.08684	3.5
117.03387	1.2
119.04914	1.0
121.02885	3.8
121.10156	1.5
123.04468	3.2
124.07541	1.4
127.03994	2.3
128.03442	3.3
129.05476	3.0
131.04930	1.7
131.12939	4.1
132.31978	1.1
135.04439	1.3
136.07541	1.1
137.05980	2.3
139.03899	10.5
145.02855	11.8
147.04402	7.4
149.06009	1.3
151.03958	1.3
151.08667	2.5
152.07059	100.0
152.08076	5.0
157.05008	3.4
163.03870	2.1
166.09763	4.0
169.09737	7.5
170.08105	9.4
171.06563	1.9
177.05458	30.4
183.08215	2.4
187.03903	1.6
194.09244	59.1
199.06125	2.8
203.07185	1.4
207.08102	1.9
211.07597	1.5
211.11897	3.4
212.10335	2.2
217.04973	4.7
217.07089	3.6
235.07607	3.7
242.09317	5.7
248.12857	1.3
253.08806	1.2
263.07108	2.2
267.10223	2.4
277.08746	1.3
287.05405	1.1
290.15048	1.6
295.09824	2.4
303.04996	1.3
307.17654	6.6
323.09225	3.8
393.17346	1.2
394.16666	2.6
410.15802	2.1
467.85211	1.3
468.68851	1.2
471.22324	8.9
627.26447	3.7
641.27979	6.9
645.27625	3.3
655.76166	1.4
669.27570	16.8
685.27283	3.2
687.28656	67.1
688.28961	2.9
713.26678	3.9
731.27576	92.0
732.28369	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	730.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.9
57.03428	11.1
57.69147	1.8
60.04519	3.4
61.02929	2.3
66.19418	2.0
69.03086	3.0
69.03429	33.6
69.53053	5.0
69.53459	9.3
70.06574	6.5
73.02898	2.3
75.04460	1.8
79.05483	6.5
81.03424	14.5
84.04488	2.2
84.08155	2.5
85.02893	22.3
86.09705	4.4
87.04472	18.8
87.24191	1.9
91.05502	4.9
95.04978	2.7
97.02894	23.8
98.06007	2.1
98.21552	4.0
103.05462	3.3
105.07024	2.0
107.04945	7.9
110.24896	1.8
115.03923	27.0
115.05447	7.3
117.07020	16.7
119.08401	1.7
121.02884	2.1
123.04405	5.4
124.05222	1.8
127.03859	3.2
129.06998	3.9
131.04901	2.1
131.08574	4.0
133.04939	24.6
137.06000	2.5
138.05473	3.3
144.05679	3.1
145.04944	1.9
145.05133	2.2
145.06490	38.4
147.04398	2.3
147.08063	1.8
150.07596	12.1
155.05994	3.1
155.07085	2.6
156.05553	8.7
159.08054	5.2
161.05930	5.8
167.07030	51.7
167.08409	3.5
170.85600	1.8
173.05980	62.9
177.05418	3.8
180.08662	5.0
181.04912	2.3
187.07545	5.9
190.06247	36.6
191.07030	3.7
193.08688	3.3
194.74559	1.8
202.06140	3.9
203.07013	6.8
203.57846	1.8
205.08603	100.0
217.08595	44.4
219.10176	4.0
223.09650	2.4
235.09634	26.7
247.07417	2.4
247.09679	7.8
261.09488	2.0
265.10736	35.7
279.92087	2.0
287.83505	2.1
288.08832	1.8
299.09131	1.8
301.06891	1.9
303.04959	20.7
304.05347	15.5
312.12939	3.4
315.04968	2.3
315.08447	2.9
316.05313	2.2
327.05420	2.0
330.10858	7.1
331.11780	3.5
339.12238	2.1
340.12119	1.9
351.12155	2.6
369.05643	2.0
383.14853	10.2
400.07379	3.3
401.15973	10.4
436.09641	3.3
755.21460	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
67.05498	0.6
69.03428	0.5
69.72775	2.1
69.73203	0.7
70.06601	0.5
71.04987	0.4
75.51418	0.4
79.05478	0.7
81.07044	1.1
83.01102	0.5
83.04972	0.4
85.02881	0.5
86.09719	0.4
91.05489	1.1
93.07040	1.3
95.08632	0.7
105.07049	0.6
107.00005	0.4
107.08589	0.5
116.66785	0.4
117.07033	0.5
120.04424	0.5
121.10139	0.7
134.16353	0.6
136.06163	0.8
152.61099	0.4
167.07021	0.5
171.62799	0.5
184.07603	0.5
185.04274	0.8
201.03763	0.7
203.05251	2.1
256.48593	0.4
259.07999	2.3
289.93488	0.4
310.61630	0.5
331.10010	0.6
347.09528	1.2
363.08945	0.6
365.10767	2.4
405.22360	2.5
421.13135	1.7
450.90463	0.5
469.20511	1.3
493.15509	1.4
567.27795	12.8
568.28247	0.6
627.81104	0.5
631.25580	0.9
729.32959	100.0
730.33075	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	729.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.6
69.03409	0.7
69.07067	0.8
70.06609	0.9
71.04980	0.9
71.40760	1.3
81.07042	1.5
83.01096	0.7
83.04988	1.4
85.02904	1.3
91.05486	1.2
93.07048	2.9
95.04987	0.7
109.10172	0.7
121.10160	2.0
131.08546	0.8
149.09656	1.3
185.04230	2.3
203.05290	2.3
205.87387	0.8
236.29758	0.8
259.07932	2.3
275.06866	0.6
275.39774	0.7
294.19470	0.7
307.15045	1.0
319.09900	0.7
331.10037	2.7
331.19208	1.2
343.26437	0.6
347.09595	2.7
363.08630	1.2
365.10495	3.4
387.21451	1.2
398.35422	0.7
405.22504	2.0
421.13147	2.9
455.18936	2.2
460.27634	0.7
469.20306	7.8
493.15247	3.6
539.28320	0.9
545.89032	0.8
549.26874	6.3
567.27728	6.1
617.23871	1.1
631.25873	6.4
660.26202	0.9
711.19421	0.9
711.31952	19.0
729.32996	100.0
730.33301	5.1
746.80933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.6
69.03409	0.7
69.07067	0.8
70.06609	0.9
71.04980	0.9
71.40760	1.3
81.07042	1.5
83.01096	0.7
83.04988	1.4
85.02904	1.3
91.05486	1.2
93.07048	2.9
95.04987	0.7
109.10172	0.7
121.10160	2.0
131.08546	0.8
149.09656	1.3
185.04230	2.3
203.05290	2.3
205.87387	0.8
236.29758	0.8
259.07932	2.3
275.06866	0.6
275.39774	0.7
294.19470	0.7
307.15045	1.0
319.09900	0.7
331.10037	2.7
331.19208	1.2
343.26437	0.6
347.09595	2.7
363.08630	1.2
365.10495	3.4
387.21451	1.2
398.35422	0.7
405.22504	2.0
421.13147	2.9
455.18936	2.2
460.27634	0.7
469.20306	7.8
493.15247	3.6
539.28320	0.9
545.89032	0.8
549.26874	6.3
567.27728	6.1
617.23871	1.1
631.25873	6.4
660.26202	0.9
711.19421	0.9
711.31952	19.0
729.32996	100.0
730.33301	5.1
746.80933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
54.52204	1.1
55.05502	1.3
57.03442	1.2
61.02940	1.3
65.03938	2.6
67.05499	1.4
69.03412	3.6
70.06590	3.1
71.04999	2.0
71.58257	1.6
72.08149	1.8
73.02911	1.5
79.05473	1.7
81.03422	4.4
81.07060	2.9
84.04507	1.7
85.02918	5.7
86.09701	2.6
86.39869	1.1
91.03898	1.1
91.04908	1.2
91.05480	25.3
93.07054	2.7
95.04982	1.3
95.08608	1.7
97.02901	4.8
98.06047	1.2
105.07021	1.5
107.04947	2.8
107.08598	1.8
109.02883	2.0
109.10172	1.4
111.04477	1.9
115.05372	1.8
117.03362	1.4
118.38968	1.2
119.04938	36.1
119.08548	1.2
121.02868	1.4
121.06542	1.2
121.10137	2.0
122.03613	1.9
127.03952	2.6
129.07016	3.2
131.04944	4.5
131.08543	2.3
132.02090	1.8
135.04465	1.5
136.06143	1.5
137.05960	9.5
145.02856	3.7
147.04402	32.3
149.02341	1.5
149.05981	2.1
151.07568	3.7
157.04027	2.2
157.06508	1.5
161.05995	2.1
163.07620	1.2
167.07072	4.8
174.06754	3.2
175.03905	49.8
175.07555	3.4
177.05444	6.1
179.07066	3.9
187.07481	1.5
189.09047	5.7
191.07027	1.7
201.09119	2.6
207.06523	100.0
208.06839	2.7
219.10168	20.5
225.07570	1.4
233.06012	1.4
276.95242	1.1
287.05493	3.3
299.05579	1.8
310.12921	1.0
313.03549	3.2
317.30020	1.2
336.16248	1.3
369.11853	5.3
478.29074	1.2
481.11264	8.7
498.77338	1.1
538.77356	1.3
568.30646	1.2
579.86285	1.1
729.33093	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
53.08281	0.7
55.01877	1.0
55.05489	1.1
57.03433	1.0
62.98912	0.9
65.03938	1.5
65.44061	0.7
67.05524	0.9
67.32059	0.7
69.03430	2.8
69.07100	0.9
69.65790	1.9
69.66197	5.2
70.06579	3.2
71.05001	1.3
72.08166	1.1
73.02921	1.8
73.34963	0.8
76.89023	0.9
77.03905	1.0
81.03416	3.4
81.07040	1.0
84.04483	1.6
84.08143	1.2
85.02881	3.9
86.09721	1.1
91.05477	24.6
91.76252	0.8
92.05808	0.8
93.07047	2.8
95.04971	1.1
95.08624	1.0
97.02921	2.7
98.21487	1.4
103.05452	1.9
105.07056	1.5
107.04937	1.3
107.18452	0.8
109.02895	1.9
111.04474	0.9
117.07029	1.0
119.04932	32.8
121.10133	1.0
127.03928	1.1
129.06984	0.9
131.04945	1.9
132.02112	1.2
133.02907	1.1
133.06461	0.9
136.05257	0.9
137.05981	6.2
141.07014	1.3
145.02818	1.3
145.10168	0.8
147.03230	1.8
147.04402	30.8
151.03955	1.0
151.07512	1.6
157.03975	2.2
157.06493	1.0
161.05989	1.6
162.07739	1.1
163.07562	1.7
164.04799	1.2
167.07042	2.5
174.06776	2.3
175.03899	47.4
175.07538	1.5
176.04286	1.4
177.05490	3.6
179.07054	2.6
181.04971	1.2
189.05408	1.0
189.09113	4.4
192.04114	1.2
201.09134	2.1
207.06517	100.0
208.06934	2.7
219.10138	21.3
225.07558	1.2
287.05493	1.3
301.03476	1.6
325.14532	1.2
351.10983	1.3
369.11749	4.8
463.10184	1.7
481.11270	10.6
482.11475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01866	1.8
65.03939	14.7
67.05502	2.8
69.03443	2.4
69.47231	1.0
69.47575	9.1
70.06582	4.0
78.04704	2.3
79.05471	4.0
81.07047	1.3
82.04183	2.5
84.04491	1.2
84.08147	1.9
85.02905	5.4
86.09673	1.4
89.03942	1.0
91.05471	7.5
93.03408	2.5
93.07048	1.2
95.01305	1.7
95.04955	3.3
97.02879	2.6
103.05461	4.2
104.50603	1.0
105.03402	1.2
105.07028	8.1
106.04173	1.0
107.04957	7.7
110.03658	12.3
111.03692	1.9
111.04432	20.5
115.05458	5.4
118.04181	1.8
119.04955	5.4
121.06483	2.6
122.03616	1.8
123.04427	3.8
124.05224	3.3
125.05994	15.1
127.03913	1.2
128.06227	2.6
129.07002	4.7
131.04941	5.6
132.05740	2.0
133.02849	2.4
133.06459	4.7
135.04456	1.4
136.05197	1.4
137.05974	11.4
138.03078	1.0
141.06993	1.3
145.06474	2.8
146.07265	1.0
147.04402	9.5
147.08031	3.2
148.69568	1.0
149.06013	2.1
151.03935	1.4
151.07545	2.3
152.04666	1.7
153.05461	70.0
155.04999	1.3
156.05756	1.6
159.08069	6.7
160.05190	2.0
161.05956	6.8
163.03802	1.4
163.07523	2.5
165.05539	1.9
165.06900	1.7
167.07036	49.5
168.07376	1.0
171.04408	2.6
171.08043	1.1
172.05191	2.2
174.07883	1.3
175.03967	1.2
175.07542	13.7
177.05501	3.2
178.07809	3.1
179.06982	5.8
181.04942	1.1
181.06476	1.4
185.05988	2.4
186.06743	3.2
187.07549	10.7
189.05455	4.4
189.06906	1.9
190.07802	2.8
191.07002	4.6
191.08586	3.8
199.07523	6.4
202.07796	4.2
203.06931	1.3
203.08533	5.5
204.09258	1.6
205.06456	4.0
205.10260	1.5
206.07224	2.0
207.06407	2.3
207.08119	2.3
208.01552	1.4
208.08755	2.1
209.08002	1.0
215.06949	2.4
216.07780	6.8
217.06432	2.3
218.07352	5.7
219.08051	10.8
220.06854	1.0
220.08725	5.0
221.06012	2.4
221.09474	5.1
223.07562	2.4
223.11191	1.3
229.08615	8.1
231.08104	5.3
232.08791	2.8
233.05914	3.1
233.09599	2.7
234.06778	4.8
234.10478	1.4
235.07645	6.6
236.08229	6.8
237.09068	4.0
245.06049	1.2
246.06706	3.8
247.07588	8.1
248.08284	5.5
249.05435	2.0
249.09114	7.0
250.06302	2.7
250.09756	1.6
251.07025	2.4
251.10658	12.3
253.08667	1.9
259.07465	1.6
260.08322	3.6
261.05450	3.5
261.09070	4.9
262.06354	1.8
262.09882	1.7
263.07092	6.0
263.10669	4.0
264.07761	9.6
265.08606	13.2
266.09299	1.4
274.06229	2.1
275.06906	6.5
276.07822	10.0
277.05545	1.2
277.08621	7.4
278.09271	7.1
279.06927	1.9
279.10092	9.8
280.07248	1.8
280.10672	1.7
281.08560	1.8
281.11780	5.6
287.05472	1.2
288.07831	2.0
289.08557	5.7
290.09195	1.7
291.07123	1.4
291.09964	5.1
292.07239	3.4
292.10745	1.3
293.08102	5.6
293.11496	2.3
294.08868	2.5
303.06567	1.3
304.07269	4.1
305.08090	2.7
306.08789	2.9
307.09637	33.6
308.10306	10.2
309.11047	6.5
311.09445	1.7
311.12787	3.4
319.09589	11.7
320.10510	2.3
321.07718	1.7
321.11139	5.9
323.12805	9.5
324.10062	2.3
336.09839	1.4
336.13681	2.2
337.10773	2.5
339.12265	100.0
340.12723	2.5
341.13824	10.9
351.12265	39.6
352.12720	1.7
353.13876	6.4
369.13284	1.6
481.11115	2.3
499.17551	2.8
652.62946	1.1
730.45782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01862	1.3
55.05488	1.4
56.40812	1.0
57.03450	2.2
57.24021	1.0
61.02895	1.1
65.03936	14.8
67.05492	3.3
68.61419	0.9
69.03424	4.6
70.06599	6.7
71.04976	1.1
71.57784	1.5
72.08163	1.2
73.02906	3.4
78.04704	2.0
79.05496	9.1
81.03409	4.5
81.07051	3.6
82.04205	2.8
83.04958	1.9
84.04497	1.9
84.08154	1.6
85.02913	7.7
86.09688	2.8
89.03940	0.9
91.05470	13.1
93.03407	3.8
93.07056	7.6
94.04137	1.3
95.01308	2.9
95.04961	6.6
97.02885	7.4
97.06535	2.6
103.05470	8.9
105.07047	8.7
107.04955	12.5
107.08592	2.6
108.02094	1.9
108.70096	1.1
109.02894	1.3
109.06519	2.2
109.10139	1.2
110.03661	14.0
111.04434	24.1
115.05450	6.7
117.03367	1.9
117.07028	2.6
118.04127	1.6
119.04942	9.2
119.08589	2.8
121.02851	2.3
121.06479	3.4
121.10141	8.0
122.03627	1.9
123.04445	5.4
124.05210	3.6
125.05989	22.0
127.03907	3.7
128.06200	3.9
129.06950	5.3
131.04932	12.5
131.08597	2.7
132.05672	2.1
133.02867	2.7
133.06488	8.4
135.04393	1.9
136.05193	2.1
136.06168	1.7
136.07515	1.5
137.05971	26.6
138.03088	1.4
141.06982	1.5
143.04967	1.3
144.05708	3.0
145.02847	1.8
145.06497	3.5
147.04404	12.2
147.08055	3.2
149.06001	4.1
149.09651	2.6
151.03897	3.7
151.07538	3.5
152.04614	1.6
153.05463	85.1
154.05829	2.1
155.04950	1.4
159.04471	1.2
159.08109	7.8
160.05223	1.3
161.06009	8.8
161.09639	1.7
163.03911	2.3
163.07532	8.8
165.01842	1.6
165.05544	1.5
165.06989	2.4
167.07033	58.5
168.07300	1.3
171.04422	2.4
172.05215	3.5
173.06027	2.2
175.03915	2.9
175.07527	15.5
176.04744	1.2
177.05493	9.9
177.06932	1.8
178.07797	2.8
179.07091	6.8
179.08496	1.7
181.04933	2.1
181.06454	1.7
181.08606	1.3
184.05142	1.6
185.05969	3.2
186.06790	4.6
187.07513	13.0
189.05466	5.6
189.07043	3.0
189.09041	2.0
190.07837	6.1
191.07024	6.1
191.08583	4.6
193.06650	1.2
193.08473	2.0
194.07330	1.3
195.08115	1.7
198.06750	1.0
199.07503	7.0
201.05563	1.7
202.07712	5.6
203.08600	6.0
205.06506	4.0
206.07225	4.7
207.06520	9.5
207.08112	2.7
208.07037	1.2
208.08879	1.8
209.08089	2.8
215.06940	3.2
215.08589	3.0
216.07793	7.6
217.06505	1.7
217.08441	1.3
218.07318	7.5
219.08110	11.7
219.10086	2.5
220.08841	5.6
221.05910	5.1
221.09621	4.0
223.07562	1.9
229.06519	1.7
229.08569	8.6
231.08044	5.9
232.08852	3.0
233.05939	4.1
233.09618	6.1
234.06715	6.1
235.07539	8.3
236.08278	8.8
237.09091	4.7
245.05936	2.4
246.06772	4.0
247.07518	7.8
248.08308	7.0
249.05370	1.7
249.09094	9.5
250.06255	2.2
250.09860	2.6
251.07060	2.8
251.10693	14.3
253.08557	2.5
258.06668	1.5
259.07492	4.2
260.08282	3.0
261.05563	3.5
261.09070	5.7
262.06140	2.7
262.09692	1.5
263.07047	5.2
263.10602	3.4
264.07858	12.1
265.08545	11.5
273.09003	1.2
274.06152	1.6
275.06995	5.4
276.07819	14.6
277.08597	9.0
278.09421	6.1
279.06781	1.7
279.10056	10.5
280.07291	1.5
281.08203	2.3
281.11740	5.2
287.05453	25.5
288.08090	1.6
289.05182	1.4
289.08456	5.8
290.09302	3.7
291.06781	1.8
291.10135	6.8
292.07275	3.5
292.10794	1.9
293.08069	6.8
293.11511	2.5
294.08884	2.4
295.09546	2.5
296.10269	1.2
299.05524	2.9
304.07401	2.8
305.08057	3.9
305.11414	1.4
306.08835	4.6
307.09659	42.1
308.10513	8.5
309.07767	2.0
309.10995	7.5
311.09290	1.5
311.12595	3.0
319.09671	14.0
320.10281	3.1
321.11053	5.8
323.12833	8.3
324.09665	1.9
324.13400	2.0
325.10684	2.4
336.10031	1.4
337.10416	3.0
337.14178	1.2
338.11542	1.4
339.12262	100.0
340.12564	4.1
341.13800	11.2
351.12280	36.2
352.12900	1.9
353.13898	7.8
357.13385	2.9
369.13232	4.4
387.13998	1.9
499.17368	4.2
547.35968	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79412	0.7
53.03940	1.4
55.01857	1.3
57.03426	0.9
61.02898	1.4
65.03942	13.6
65.28727	0.8
67.05492	1.7
69.03423	3.0
70.06595	5.5
71.58515	1.2
72.08121	0.8
78.04697	1.5
79.05491	4.8
81.03413	1.9
82.04178	2.3
84.04507	1.2
84.08122	2.7
85.02903	5.4
86.09692	3.5
89.03907	1.2
91.05488	7.4
93.03401	3.0
93.84342	0.8
95.01315	2.5
95.04981	4.1
97.02885	3.4
103.05473	4.8
105.07044	6.9
106.04202	1.2
107.04949	7.1
109.02873	2.1
110.03662	12.7
111.04440	20.3
112.94621	0.7
113.70437	0.8
115.05450	3.5
117.03368	0.9
117.07059	0.9
118.04165	2.5
119.04939	8.5
119.08571	1.5
121.06496	2.2
122.03686	1.2
123.04417	4.4
124.05204	2.4
125.05988	15.5
128.06210	1.9
129.06963	4.8
130.04156	0.9
131.04938	5.8
131.08540	0.8
132.05699	2.5
133.02872	2.5
133.06493	5.7
135.04388	1.3
136.05173	2.5
137.05983	11.8
138.03123	1.3
143.04906	2.0
144.05658	1.2
145.02879	1.2
145.06488	3.1
147.04398	9.4
147.08047	2.4
149.05998	1.5
151.03934	1.9
151.07521	2.6
152.04674	1.6
153.05463	77.1
155.04909	1.4
156.05696	2.2
159.08034	6.5
160.05193	0.9
161.05997	8.9
162.06706	1.2
163.07574	2.7
165.05508	1.2
165.06874	1.2
167.07048	48.9
171.04445	2.6
171.08046	1.2
172.05191	1.8
173.05910	0.8
175.04027	1.1
175.07530	11.5
176.04724	1.8
177.05533	3.7
177.06897	0.9
178.07738	1.9
179.07101	5.0
179.08469	1.4
181.04985	1.1
181.06491	1.0
184.05194	1.1
184.99930	0.8
185.06004	1.6
186.06757	3.1
187.07527	10.2
189.05435	3.6
189.07059	2.1
189.09097	1.3
190.07745	3.3
191.06999	5.1
191.08568	4.2
192.09280	1.2
193.06607	1.1
195.08049	1.2
198.06740	1.4
199.07545	4.9
201.05475	1.7
202.07762	3.7
203.06935	0.9
203.08513	4.4
204.09343	1.3
205.06470	2.7
205.10223	1.1
206.07240	3.8
207.06500	3.1
207.08089	2.2
208.08757	1.7
209.07980	1.1
210.06960	0.9
213.05624	0.9
214.06148	1.2
215.06964	2.1
215.08621	2.2
216.07782	6.2
217.06509	1.7
217.08392	1.4
218.07233	6.6
219.08098	10.1
220.08777	4.9
221.05957	3.0
221.09604	4.1
223.07588	1.9
225.09201	0.9
229.08577	9.8
231.08032	4.5
231.82776	0.9
232.08813	2.6
233.06033	3.8
233.09576	5.4
234.06758	4.1
235.07550	7.9
235.10983	1.0
236.08292	6.2
237.09088	3.4
239.06973	1.6
243.07951	1.1
245.05956	2.4
246.06709	3.3
247.07568	7.0
247.73146	0.7
248.08336	7.4
249.05429	2.0
249.09071	8.7
250.06166	1.1
250.09862	2.4
251.06918	2.5
251.10635	10.0
253.08669	1.4
259.07553	3.5
260.08344	2.1
261.05521	3.1
261.09030	5.0
262.06128	1.9
262.09857	1.7
263.07129	5.2
263.10617	2.4
264.07785	10.1
265.08563	12.2
265.11676	1.0
266.09335	1.8
273.09268	1.0
274.06213	1.2
275.06989	4.1
275.10312	1.0
276.07794	10.9
277.08673	6.9
278.09344	5.3
279.10150	8.8
280.07312	1.0
280.10776	1.2
281.08179	1.8
281.11765	3.7
287.05258	1.6
288.07837	1.8
289.08594	4.8
290.09314	2.6
291.06628	2.2
291.10138	4.8
292.07297	2.7
292.10742	1.5
293.08035	7.1
293.11658	2.1
294.08908	1.6
295.09644	1.9
296.10538	1.1
299.05130	0.8
303.10028	0.9
304.07327	2.8
305.08044	3.5
306.08911	2.6
307.09644	36.8
308.10385	8.4
309.11099	6.9
311.12796	2.4
319.09668	12.4
320.10379	2.8
321.07864	1.5
321.11215	7.3
323.09204	1.5
323.12714	9.3
324.10007	2.3
325.10693	1.1
325.14285	1.2
326.11438	1.5
336.10013	1.2
337.10718	2.1
338.11435	1.1
339.12268	100.0
340.12659	3.3
341.13797	12.5
351.12253	41.1
352.12762	2.1
353.13882	5.6
369.13290	2.0
499.17474	2.3
729.27448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01871	1.8
57.03429	1.5
61.02915	0.8
65.03928	0.5
67.05489	0.7
68.99788	1.4
69.03429	7.5
69.07070	0.3
69.46230	1.8
70.06596	1.3
71.01331	0.3
71.04987	1.2
73.02927	1.7
79.05495	0.8
81.03419	9.6
81.07043	1.0
83.04955	0.4
84.04501	0.5
84.08144	0.6
85.02905	11.5
86.09696	1.3
87.00823	5.3
87.04457	0.3
91.03938	0.6
91.05484	3.0
93.03429	0.3
93.07034	0.8
95.01325	0.5
95.04958	0.8
95.08600	0.4
97.02887	4.9
97.03497	0.4
99.04449	3.3
102.04677	2.6
103.05460	0.9
105.01859	2.8
105.03424	0.3
105.07041	1.3
107.04963	0.9
107.08556	0.3
109.02875	6.1
109.06490	0.3
109.10181	0.3
111.00794	0.6
111.04437	0.5
114.78529	0.2
115.03944	0.4
115.05470	0.6
117.01839	1.1
117.03392	0.3
117.06970	0.3
119.04942	2.7
119.08605	0.7
120.08079	0.5
121.02876	0.7
121.06529	0.7
121.10126	0.5
122.03646	0.3
123.04398	0.4
124.05206	0.5
124.99957	0.2
125.02324	0.3
125.05967	0.4
127.03920	9.3
129.01849	1.1
129.06987	0.3
129.10278	0.3
129.91481	0.3
130.04146	5.4
130.05093	0.4
131.04929	7.4
131.08586	0.4
132.05688	1.2
133.02850	1.9
133.06493	0.7
133.10135	0.3
135.04391	1.0
136.05203	1.0
136.06163	0.4
137.02342	0.7
137.05006	0.4
137.05989	5.4
144.05626	0.2
145.02846	0.7
145.04959	2.3
145.06494	0.5
145.10097	0.3
146.03598	0.4
147.03043	0.6
147.04404	8.0
148.05200	1.7
149.05969	1.8
150.06725	1.1
151.07549	1.0
153.01828	8.2
153.05417	0.3
159.02884	3.8
159.04228	0.2
159.11734	0.2
161.02229	0.3
161.05974	1.5
162.06734	8.1
163.03912	0.3
163.07520	0.7
165.01831	0.7
165.06969	0.4
167.07050	0.9
167.08365	0.3
171.02930	0.5
171.04344	0.5
171.25890	0.3
173.05965	0.4
175.03876	1.3
175.14812	0.8
177.05493	1.9
178.05832	0.3
179.02043	0.2
179.03389	1.5
179.07034	0.3
181.04922	0.4
181.06471	0.5
184.07335	1.9
187.03848	0.6
189.05510	0.8
191.03487	0.4
197.06038	0.3
199.03909	0.4
201.05470	1.3
201.09184	0.3
203.03363	0.7
205.06517	0.5
207.06525	2.8
210.06746	0.5
213.05620	0.3
217.04948	6.0
219.10199	0.5
220.05095	0.2
221.06033	1.6
223.07530	0.4
228.04150	0.3
229.04962	2.9
230.05743	0.4
231.02890	0.4
231.05023	0.9
233.06119	0.2
237.05421	1.2
238.06198	1.7
241.04982	0.4
245.04449	6.2
246.05109	0.3
249.05585	0.7
250.06328	0.4
251.07112	1.0
253.04988	0.4
257.04446	1.6
258.05157	0.3
263.07071	0.4
265.05157	0.3
269.04529	0.8
273.03934	10.2
274.04770	0.6
277.04910	1.5
279.06467	0.5
283.06146	0.4
285.03882	4.3
286.04779	0.8
287.05597	0.7
289.08408	0.3
291.06467	0.4
299.05521	0.5
300.99976	0.4
301.03452	8.6
302.04233	3.1
303.04935	2.3
305.04617	0.4
311.05469	2.4
313.03455	2.3
317.06497	0.6
327.05008	3.1
329.08014	0.3
333.07632	0.3
339.05014	5.1
357.06290	1.6
375.08618	1.1
385.06995	1.4
389.06647	0.5
403.08051	1.2
413.06577	0.9
431.07651	7.3
432.07990	0.4
448.08405	0.4
451.10141	2.8
463.10220	3.3
481.11307	100.0
482.11758	1.9
523.12097	0.3
526.15106	0.3
685.38806	0.3
728.41467	0.7
729.31360	0.3
729.42676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
53.03939	1.9
55.01867	2.2
56.05020	0.2
57.03433	1.5
61.02926	1.4
65.03938	0.6
67.05489	0.8
68.99783	1.5
69.03426	8.9
69.07057	0.5
69.51118	0.2
70.06596	1.6
71.01361	0.3
71.04991	1.5
72.08132	0.5
73.02912	1.7
79.05473	0.8
81.03414	9.6
81.07054	1.2
82.03746	0.3
83.04971	0.3
84.04488	0.4
84.08132	0.7
85.02900	12.2
86.09698	1.1
87.00817	4.9
87.04462	0.5
89.03896	0.3
91.03943	0.5
91.05477	3.0
93.07054	1.1
94.04166	0.2
95.01327	0.5
95.04973	0.6
95.08587	0.4
97.02881	4.8
98.20763	0.9
99.04447	3.1
102.04682	3.2
103.05446	1.9
105.01859	2.6
105.07026	1.4
107.04938	0.8
107.08601	0.4
109.02868	7.7
109.06561	0.4
109.10136	0.6
111.00775	0.3
111.04415	0.3
115.03993	0.3
115.05493	0.3
117.01856	1.0
117.03361	0.3
117.06992	0.3
119.04185	0.4
119.04951	3.3
119.08571	0.9
120.08121	0.4
121.02843	0.6
121.06510	0.7
121.10150	0.5
122.03664	0.5
123.04420	0.4
124.05231	0.8
125.00043	0.4
125.06004	0.3
126.05524	0.5
127.03911	8.6
129.01837	1.3
129.06982	0.5
130.04137	5.5
131.04924	8.0
131.08525	0.3
132.05736	1.5
133.02841	1.7
133.06482	0.9
133.10155	0.3
135.04402	0.9
136.05179	1.1
136.06134	0.4
137.02380	0.6
137.05966	6.1
141.01842	0.3
145.02852	0.6
145.04956	2.2
145.06084	0.2
145.06540	0.2
145.10165	0.3
146.03528	0.4
147.03108	0.3
147.04401	8.0
148.05183	2.0
149.05978	1.6
150.06744	0.8
151.07529	1.0
153.00571	0.4
153.01816	8.5
155.04903	0.3
157.06561	0.4
157.27968	0.3
159.02890	3.6
159.04301	0.5
159.08061	0.3
161.05992	1.9
162.06738	9.8
163.03874	0.4
163.07535	0.5
165.01860	0.8
165.05434	0.5
167.06996	0.6
171.02937	0.5
171.04385	0.4
173.05998	0.5
175.03877	1.3
175.14764	0.3
177.05452	1.8
179.03410	1.6
179.07022	0.5
179.19611	0.3
183.04373	0.3
184.07281	1.5
187.03938	0.7
187.07491	0.3
189.05476	0.6
189.08958	0.3
191.03369	0.4
195.08229	0.3
197.05898	0.3
199.03947	0.4
201.05432	1.2
203.03394	0.6
205.06505	0.3
207.06464	1.9
210.06766	0.4
213.05576	0.4
217.04955	6.1
219.10233	0.3
221.06004	1.3
221.23666	0.3
223.07555	0.5
225.05559	0.3
227.03435	0.3
228.04207	0.4
229.04947	3.5
229.07005	0.3
229.90070	0.4
231.04944	1.3
233.06007	0.3
237.05406	1.4
238.06184	1.8
241.04805	0.3
243.06616	0.3
245.04424	6.9
249.05460	1.5
250.06204	0.5
251.07022	1.3
253.05046	0.2
255.06410	0.3
257.04422	2.4
258.05133	0.4
261.09009	0.3
263.06995	0.4
265.05081	0.3
266.05682	0.3
267.06723	0.3
269.04379	0.8
273.03940	10.3
274.04657	0.8
277.04965	1.5
279.06482	0.6
281.04425	0.3
283.06018	0.5
285.03912	4.2
286.04694	0.8
287.05518	1.3
291.06577	0.4
293.08191	0.2
297.03940	0.3
299.05521	0.8
301.03409	7.4
302.04199	3.4
303.04950	2.0
305.04590	0.4
311.05347	2.4
313.03409	1.9
317.06512	0.6
319.06039	0.3
324.67786	0.2
327.04886	2.4
339.04947	4.7
357.06335	1.7
373.06683	0.3
375.08612	1.1
385.06912	1.4
389.06503	0.4
403.07904	1.2
413.06702	0.7
431.07547	7.3
432.07562	0.3
448.08154	0.3
451.10190	2.7
452.10770	0.2
463.10220	3.5
481.11273	100.0
482.11481	3.3
523.12689	0.3
547.12701	0.4
728.41943	0.8
729.42346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
54.09052	1.6
55.01876	6.9
55.05511	18.2
55.29675	1.5
56.05022	2.2
57.03436	19.3
58.18480	1.3
60.04508	1.5
61.02922	2.4
65.03946	3.8
67.05504	28.6
69.03446	8.3
69.07072	9.7
70.06593	16.1
70.11597	6.9
71.05004	12.6
72.04498	1.6
72.08148	3.7
73.02925	2.4
79.05489	39.5
81.03416	62.1
81.07053	33.3
83.02538	1.4
83.04970	10.7
83.08617	19.5
84.04494	4.1
84.08145	5.7
85.02898	8.3
85.06537	2.7
86.09705	4.5
87.71288	1.4
91.05481	34.1
92.47868	1.8
93.07041	42.4
95.04975	32.7
95.08603	15.4
97.02895	6.7
97.06508	8.5
97.10160	14.4
98.20903	2.3
98.21432	2.2
99.04453	2.8
103.05484	12.9
105.07029	22.8
107.04951	36.4
107.05630	2.9
107.08576	24.6
109.06512	38.5
109.10152	7.6
110.07200	1.9
111.04443	5.3
111.08074	8.2
113.06071	2.0
115.05454	5.1
115.26648	2.1
117.03362	5.5
117.06987	11.1
119.04957	6.4
119.08583	20.0
120.08112	1.7
121.06504	24.3
121.07361	2.0
121.10139	25.4
122.03650	3.0
123.04422	4.4
123.08070	6.9
125.06038	2.8
125.09602	14.1
127.03973	1.7
128.06226	2.7
129.07016	14.4
129.10243	2.7
131.04922	21.5
131.08568	21.9
133.06445	9.7
133.10124	11.4
135.04445	1.8
135.08064	14.5
135.11671	4.2
136.06209	5.1
136.07552	2.3
137.05989	27.4
137.09613	2.7
139.11165	8.3
143.08534	2.8
145.02849	9.7
145.06499	6.0
145.10121	11.5
146.03238	2.2
146.77026	1.6
147.04466	10.7
147.05466	2.5
147.08069	8.2
147.11671	8.0
149.05963	4.3
149.09612	10.9
151.03899	5.0
151.07582	5.5
153.05489	2.2
153.09085	2.5
155.08485	4.2
157.06473	2.8
157.10161	9.9
159.08084	3.1
159.11682	3.5
161.05984	6.1
161.09636	2.0
162.07669	3.4
163.07539	23.8
163.11201	6.4
165.12743	2.3
167.07013	9.7
167.10770	1.9
169.10149	2.1
171.11661	1.9
173.09627	2.5
173.13304	7.6
175.03995	3.9
175.07538	4.4
175.11186	7.6
175.14822	7.8
175.20404	1.7
175.84244	1.5
176.04390	2.4
177.05450	22.2
177.12704	1.9
178.05815	5.6
179.07137	2.4
181.04973	3.7
183.08044	1.9
183.11743	1.9
184.07323	2.9
185.11703	4.2
185.13243	2.6
187.11157	1.7
187.14801	1.7
189.09483	1.4
189.11212	6.8
189.12793	3.3
191.07051	6.2
191.14330	9.8
193.08624	2.0
193.12230	20.6
197.13297	1.7
201.12756	3.5
205.08485	2.7
207.06479	11.9
208.06912	2.1
211.13232	2.4
213.12735	1.7
215.14395	2.2
219.13789	39.5
227.12598	2.3
229.14267	1.8
233.15379	4.1
237.12846	1.9
249.14890	1.9
259.15421	30.0
267.15900	45.4
271.16791	2.4
273.14862	4.8
275.16559	1.9
285.17096	2.1
293.17450	23.4
295.18988	2.3
339.12000	2.0
339.23135	3.5
349.21799	3.9
357.24307	2.8
367.22678	12.9
385.23749	23.8
387.14551	2.1
403.24640	12.0
415.87097	1.9
433.25720	3.5
441.26260	4.9
451.27274	9.3
459.27402	84.1
460.27478	2.6
477.28455	100.0
478.28934	1.9
481.10922	3.8
495.29532	19.1
501.28928	2.2
507.88492	1.6
519.19171	1.7
567.29620	2.6
728.26703	1.8
728.41882	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	727.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.6
55.01867	5.3
55.05503	8.7
57.03429	6.5
57.07071	3.0
67.05502	21.7
69.03413	7.9
69.07059	7.6
70.06590	7.1
71.04984	2.4
73.02914	5.2
79.05490	13.4
80.32678	2.0
81.03415	4.0
81.07053	34.0
83.04967	5.2
83.08591	2.3
84.04498	6.3
84.08147	2.3
84.92937	1.9
85.02907	7.1
85.06530	2.5
86.09706	5.4
91.05457	11.8
93.07050	11.7
95.04961	6.8
95.08596	9.8
96.14903	2.1
97.02879	6.3
97.06515	2.8
105.07030	8.2
107.08600	5.1
109.06502	3.1
109.10166	3.2
111.04433	4.8
111.08021	2.2
117.07014	3.7
119.08599	7.2
120.04465	9.8
121.02873	2.9
121.04888	2.3
121.10134	6.8
123.04443	4.4
123.08077	3.4
123.11720	2.8
126.05530	9.9
129.07071	2.6
131.08556	3.0
133.10152	4.0
137.02344	32.2
137.03314	3.6
138.05499	4.6
145.10144	3.3
147.08054	2.9
147.11656	5.3
149.09586	2.5
153.01826	2.3
159.07965	2.3
159.11830	2.4
163.03867	3.9
165.01778	2.8
168.33525	2.2
175.04001	3.4
183.02861	3.6
184.07430	4.7
203.03528	2.1
204.08669	4.6
217.04974	3.2
229.04967	3.3
229.68611	2.6
230.08188	3.6
241.04712	2.3
245.04387	2.5
257.04520	2.2
259.06003	2.3
275.20099	2.6
293.21078	3.3
299.05612	3.4
302.04114	2.6
303.04959	27.0
311.05371	2.5
315.04950	100.0
316.05637	7.4
326.04230	2.5
327.05005	8.2
329.06519	7.8
339.01065	3.0
339.04858	17.6
341.02881	4.6
341.06479	18.3
343.04489	6.3
353.06555	11.4
364.92941	2.4
365.06503	8.7
379.08078	9.4
383.11340	23.2
385.12790	10.8
393.09949	3.4
395.11227	52.2
405.09424	3.0
407.11417	13.3
411.10794	4.9
461.11819	2.6
491.16983	7.8
505.18021	3.9
509.17859	5.6
521.18024	16.3
523.19061	2.6
559.23279	32.1
577.24335	92.0
589.23572	3.8
595.25208	24.1
608.79614	2.8
643.25940	2.8
645.84613	2.5
727.38519	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	727.2075
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.14032	0.2
55.01843	0.3
55.05500	0.3
56.96546	0.2
57.03184	0.3
57.03436	2.9
61.02921	0.5
69.03411	2.0
70.06576	0.6
71.01352	0.4
71.04990	7.2
71.57505	0.2
71.57866	0.2
73.02913	3.9
75.04449	0.4
79.05467	0.2
81.03393	0.5
83.04988	1.3
84.08110	0.3
85.02901	10.2
87.04452	0.3
95.04946	0.3
97.02886	2.6
98.05975	0.2
105.03386	0.3
111.00719	0.4
111.04405	0.8
113.02340	0.2
115.03922	1.3
121.02854	2.0
127.03929	0.4
129.05470	2.3
133.02840	0.3
133.05031	0.3
135.04391	0.4
137.02354	0.4
139.03853	0.4
147.04407	0.5
147.06516	0.6
153.01820	2.4
157.06456	0.3
160.58379	0.2
161.81039	0.2
163.03879	0.2
165.01837	1.4
171.06467	0.2
183.02881	0.6
185.05882	0.2
213.05482	1.0
225.07642	0.4
231.06525	0.6
241.04942	0.7
258.05270	0.7
269.04288	0.2
271.06024	0.2
287.05478	100.0
288.05804	3.3
299.05444	0.9
311.05276	0.2
325.06979	0.4
329.06528	1.6
332.11584	0.2
337.06909	0.3
353.06448	0.5
365.06268	0.3
383.07565	0.6
401.08728	0.6
419.09705	0.8
437.82404	0.2
449.10770	15.4
450.11197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
53.86612	0.7
55.01857	0.8
55.05489	1.5
57.03443	4.3
61.02917	1.0
67.05502	1.2
69.03423	5.0
70.06579	2.3
71.04990	16.5
71.57897	1.1
72.08133	1.1
73.02929	3.6
75.04480	1.0
81.03402	0.8
83.04537	0.9
83.04978	7.6
85.02902	21.7
86.09707	0.9
87.04456	0.8
95.04962	1.7
97.02879	3.9
107.04945	5.0
109.02825	0.8
111.00773	0.7
111.04444	4.4
115.03926	1.0
117.05480	0.8
127.03943	0.7
129.05460	6.3
129.10207	0.7
131.08594	0.6
137.02370	4.1
141.01781	0.6
147.04414	0.7
147.06531	2.3
153.01814	4.0
153.05435	1.5
155.04857	0.7
161.06071	0.8
163.03899	1.6
163.06009	0.8
165.01820	2.2
177.05457	1.5
179.04912	0.9
183.02922	0.9
201.05492	1.3
219.10260	0.7
225.07552	1.8
226.10757	1.2
227.08818	0.6
227.95233	0.8
229.04985	3.4
239.09215	1.0
242.00769	0.6
247.06194	0.7
257.04373	2.0
271.05762	0.7
274.04602	1.0
285.03857	1.0
287.05603	4.7
303.04980	100.0
304.05273	2.9
315.04980	5.2
320.41653	0.6
327.04922	1.4
339.73792	0.7
345.06039	5.0
357.05655	0.6
369.06085	2.0
383.11359	0.9
399.07144	2.2
402.49576	0.7
407.11862	0.7
413.08606	1.8
417.08002	1.0
431.09567	0.8
435.09152	4.8
449.10931	3.7
581.14917	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.3
57.03435	9.3
59.49116	2.1
64.97093	2.2
65.03905	1.9
67.05508	53.5
69.07071	13.6
69.29489	23.0
71.04522	1.9
71.04953	2.5
79.05500	40.3
81.03439	3.5
81.07060	65.8
81.70770	2.0
83.04977	5.3
83.08627	10.1
85.02901	2.9
85.06526	3.5
88.76527	1.7
91.05486	20.6
93.07047	51.1
95.04942	5.3
95.08610	32.5
97.06541	6.0
97.10114	2.7
98.21455	4.2
101.02380	1.8
105.07037	8.1
105.38496	2.0
107.08607	29.4
109.06552	3.5
109.10146	10.5
111.08076	4.7
117.07039	6.5
119.08555	6.5
121.10152	21.4
123.11744	2.6
131.08575	11.3
133.10132	6.8
135.08096	2.3
135.11684	10.2
145.10098	3.8
147.11694	4.0
149.13263	24.0
159.11671	11.1
161.13196	3.3
164.68440	2.1
177.12756	2.8
184.07379	4.2
195.13786	6.1
205.40530	2.0
243.21005	3.4
261.22159	9.3
269.14661	1.7
269.17477	47.5
317.24954	2.9
335.25821	58.0
351.55954	1.9
422.34256	1.9
431.10065	2.1
436.70807	2.2
529.38879	100.0
530.39203	4.5
756.77832	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54208	1.0
53.03944	3.5
55.01868	6.1
55.05509	11.2
57.03444	9.7
57.07084	1.8
61.02927	7.6
65.03937	1.9
67.05504	35.4
69.03439	5.1
69.07070	16.1
69.99918	2.0
70.00330	4.1
71.04984	5.2
73.02913	4.3
76.07452	1.1
79.05492	29.9
81.03422	10.5
81.07054	75.9
83.04986	7.0
83.08615	12.7
85.02895	13.7
85.06547	3.4
86.09732	2.1
91.03965	8.0
91.05478	27.1
93.07043	32.7
93.07628	1.7
93.82060	1.1
95.04978	9.8
95.08600	22.7
97.02877	10.3
97.06520	9.4
97.10153	2.6
99.04459	1.7
99.08105	3.7
103.03905	1.1
105.07034	22.6
105.98451	1.1
107.04967	8.2
107.08591	19.5
109.02866	1.4
109.06519	23.3
109.10160	8.7
111.04445	1.8
111.08053	4.6
115.05446	1.2
117.07038	10.0
119.08570	20.7
120.04443	1.4
121.06521	4.5
121.10128	14.2
123.08075	4.1
123.11687	5.3
125.09574	2.3
127.03918	3.2
127.07563	1.2
129.05440	1.1
129.07007	3.9
131.08559	11.4
133.06494	1.1
133.10124	15.5
135.08054	4.2
135.11691	9.0
136.06189	1.0
137.05998	2.0
137.09630	3.5
137.13289	1.3
141.06964	1.3
143.08562	2.5
145.04980	3.4
145.10103	11.7
147.11681	16.4
149.09637	8.1
149.13237	9.7
151.11203	3.4
155.08537	1.6
157.10103	4.1
159.11696	12.0
161.09581	1.4
161.13275	3.8
163.06038	2.2
163.11188	7.4
165.12753	3.9
169.10129	2.4
171.11682	2.5
173.13252	4.5
175.11194	2.5
177.12784	7.6
179.14336	3.7
183.11632	2.5
184.07388	2.4
185.13274	1.1
187.11162	1.1
187.14809	1.5
191.14391	1.3
193.12242	2.6
195.13797	3.1
197.13319	1.3
219.13821	1.5
229.14345	2.4
229.19647	1.7
231.12260	0.9
239.18005	3.3
243.16005	1.3
247.20528	2.1
251.16377	1.8
255.15874	11.8
257.19012	3.4
267.16080	2.8
269.17474	27.8
275.20059	33.1
293.17969	1.5
293.20938	5.7
349.23724	81.4
350.24008	1.7
367.24783	100.0
435.27448	1.7
461.28961	6.0
479.30087	1.5
511.29117	3.3
529.29846	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	726.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01863	3.6
55.05516	10.1
57.03438	7.8
60.40915	1.4
61.02926	9.5
67.05171	2.3
67.05502	26.7
69.03425	3.8
69.07066	13.2
70.06578	2.2
71.04992	5.1
73.02900	3.2
74.85693	1.2
79.05489	21.8
81.03407	11.9
81.07052	66.2
83.04973	4.9
83.08620	9.0
84.04506	1.5
85.02895	9.7
85.06559	2.4
86.09703	5.2
91.03955	5.5
91.05476	23.0
93.07038	21.9
95.04957	8.9
95.08598	14.0
97.02893	7.0
97.06515	7.0
97.10164	2.7
98.20779	2.7
105.07032	20.9
106.07384	1.7
107.04956	7.6
107.08588	14.6
109.06517	20.6
109.10173	10.3
111.08063	4.3
115.03928	1.4
117.06989	6.6
119.08577	15.8
120.04475	2.1
121.06478	3.9
121.10125	11.6
121.50822	1.4
123.08073	6.1
123.11700	5.2
124.99968	2.4
126.05485	1.9
127.03909	3.5
129.06999	3.5
131.08563	9.9
133.10143	16.5
135.08049	5.6
135.11708	6.1
136.06142	2.5
137.06058	1.2
137.09593	2.1
145.10130	8.4
147.08049	2.8
147.11679	15.3
149.09596	9.3
149.13196	6.2
151.11124	2.7
155.08589	1.6
157.10141	3.7
157.48402	1.3
159.11693	5.8
161.09634	2.0
161.13303	2.5
162.07655	2.3
163.05994	3.2
163.11198	5.0
165.12764	3.3
171.11700	2.0
173.09709	1.7
173.13245	4.1
174.99167	1.3
175.11180	3.2
183.11688	1.9
184.07338	16.2
184.90524	1.6
187.11339	1.5
187.13246	2.4
187.14876	1.5
191.14272	2.1
193.12292	3.4
197.13268	1.9
219.13855	2.8
229.19641	1.9
239.17996	1.7
242.56105	1.7
243.16025	2.7
247.20538	2.3
248.79407	1.6
257.18997	4.0
257.42328	1.4
267.15955	3.9
267.20697	1.3
267.41946	1.4
269.17453	1.9
275.20047	42.7
293.17999	1.4
293.21161	7.8
349.23734	100.0
350.24039	2.1
367.24789	74.2
417.26105	2.8
431.90771	1.5
435.27216	3.5
443.27652	2.6
461.28918	27.0
479.29910	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.3
55.05510	15.9
57.03421	8.3
61.02910	6.7
65.77390	1.8
67.05500	30.7
69.03412	4.7
69.07069	18.3
71.04974	2.8
71.17454	3.4
73.02900	4.1
79.05488	29.3
81.03400	11.2
81.07053	32.0
83.04958	5.8
83.08611	11.5
85.02904	9.4
85.06554	3.0
91.03941	3.9
91.05472	23.0
93.07038	27.6
95.04963	9.4
95.08604	15.7
97.02876	7.9
97.06537	11.2
97.10141	10.1
99.08032	2.0
105.07033	21.6
107.04942	7.4
107.08591	32.8
109.06535	5.3
109.10148	14.0
111.08086	4.4
117.06990	6.6
119.08575	17.1
121.06559	2.5
121.10133	11.1
123.08037	3.2
123.11665	3.2
125.09615	12.7
127.03927	3.3
129.07007	3.5
131.08565	16.2
133.10101	16.3
135.07991	3.0
135.11732	9.5
137.09549	3.0
143.08553	2.5
145.10100	15.3
147.07980	2.8
147.11678	8.5
149.09624	10.1
149.13249	5.7
157.10103	2.2
159.11670	12.8
161.13239	3.6
163.06081	3.2
163.11121	6.3
165.47542	2.4
171.10269	2.6
171.11655	4.8
173.11769	2.5
173.13196	4.1
173.30092	1.9
177.12750	7.8
179.14256	3.9
184.07323	2.3
189.11243	9.4
223.13315	2.0
227.12778	11.8
229.14311	7.1
229.19534	3.0
239.17935	6.1
245.13812	3.8
255.15852	5.5
257.18964	13.2
269.17441	27.1
275.20062	35.7
293.21100	7.6
301.08862	1.9
321.38620	1.9
349.23712	100.0
350.23862	2.5
367.24722	20.5
395.57224	2.4
461.28619	5.3
475.65375	2.0
511.29001	6.5
646.93329	2.2
727.29315	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	726.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.01883	8.9
55.05509	16.3
57.03435	17.6
57.07058	2.1
57.54078	1.6
61.02928	12.9
63.41040	1.7
65.03932	2.3
66.45190	1.7
67.05505	57.6
69.03429	11.9
69.06733	1.8
69.07072	23.4
69.43987	2.9
69.44386	14.1
71.04977	7.1
73.02907	6.3
79.05491	40.8
81.03427	14.8
81.07053	67.7
83.04990	11.9
83.08622	11.6
85.02910	17.2
85.06546	5.1
91.03943	9.0
91.05478	33.1
93.07042	47.4
94.07350	2.2
95.04971	9.9
95.08605	26.7
96.96394	1.8
97.02877	10.4
97.06544	18.5
97.10162	7.4
99.04463	3.6
99.08071	5.4
103.15191	1.7
104.91051	1.6
105.07033	30.6
107.04936	8.7
107.08588	32.0
109.02887	2.7
109.06522	7.4
109.10146	12.5
111.04436	3.1
111.08084	6.0
115.05488	1.5
117.07011	13.6
117.11873	1.7
119.08566	20.5
120.04442	2.3
121.06525	5.9
121.10143	22.2
123.08044	3.8
123.11724	4.4
125.09618	5.8
127.03917	7.6
129.07019	4.9
130.28207	1.6
131.08580	20.0
132.78127	1.8
133.10109	21.3
135.08058	4.1
135.11691	21.5
137.09570	2.9
143.08566	4.1
145.04973	4.1
145.10133	14.2
147.11665	12.7
149.09625	12.1
149.13269	16.8
151.11211	3.2
157.10133	2.3
159.11684	29.3
161.13242	4.4
163.06020	3.4
163.11203	7.4
169.10121	2.7
171.11652	2.9
173.04417	3.2
173.11826	2.0
173.13295	5.4
175.11148	2.4
175.14857	2.6
177.12756	24.8
179.14328	9.3
183.11739	2.3
184.07365	3.2
189.08647	1.9
189.11201	3.0
193.12221	2.5
195.13806	6.3
201.12758	2.4
213.03423	1.8
213.14720	2.3
225.97673	2.3
227.12790	3.3
229.14346	4.4
229.19481	2.8
239.17958	3.5
245.13910	3.0
251.16428	5.2
255.15948	42.6
257.18970	9.8
269.17480	100.0
275.20071	24.5
293.21103	2.2
309.20737	2.7
317.51181	2.1
349.23727	72.1
367.24820	26.2
389.18277	2.6
413.21680	6.2
461.28879	5.2
475.26965	2.1
493.27713	3.4
511.28827	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	725.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52569	0.2
53.03955	0.9
55.01874	0.5
55.05508	2.0
57.03428	0.4
61.86621	0.2
65.03936	0.6
66.55820	0.2
67.05504	5.4
68.99774	0.5
69.03427	2.5
69.07072	1.3
69.83135	0.7
69.83544	0.6
79.05065	0.3
79.05495	5.0
80.21008	0.2
81.03416	4.6
81.07058	5.9
83.04979	0.6
83.08608	0.6
85.02906	1.1
85.06522	0.2
88.40955	0.2
91.05482	3.7
93.03392	0.3
93.06473	0.3
93.07041	4.4
95.04976	1.2
95.08058	0.3
95.08609	3.7
97.02895	2.3
97.06525	0.3
97.10147	0.3
99.04443	0.6
105.07024	2.5
107.04957	0.3
107.08600	2.6
109.02867	1.5
109.06532	0.3
109.10152	1.1
109.40948	0.2
111.00793	1.1
111.04453	0.3
111.08076	0.2
117.07023	1.2
119.08588	1.8
121.02827	0.9
121.10143	2.0
123.04411	0.3
123.11716	0.6
125.09658	0.2
127.03923	1.1
129.06975	0.7
131.08597	1.6
133.06461	0.3
133.10139	1.7
135.04448	0.3
135.11688	1.5
137.02348	3.4
137.03333	0.3
143.08557	0.5
145.06487	0.4
145.10129	1.2
147.04427	0.3
147.11667	0.8
149.02359	0.5
149.13237	0.6
151.11230	0.3
151.73164	0.2
153.01825	3.8
157.10132	0.6
159.11681	0.9
161.05974	0.4
161.13249	0.8
161.83174	0.2
163.03888	0.5
163.07568	0.2
163.11172	0.2
163.14737	0.3
165.01840	2.4
166.02519	0.3
169.10083	0.3
171.11670	0.2
173.05907	0.5
173.13234	0.9
183.02872	0.7
183.04289	0.2
185.13190	0.4
185.19276	0.2
186.41856	0.2
187.03969	0.5
191.03383	0.3
195.02896	0.4
201.05447	2.0
207.02808	0.4
215.03265	0.2
219.06316	0.2
228.04109	0.3
229.04973	5.2
247.05991	1.0
257.04483	3.2
261.22131	1.2
274.04733	0.9
277.21640	0.3
285.03979	1.4
302.04083	0.2
303.04984	100.0
304.05328	1.7
319.22830	0.2
345.05936	0.5
345.24747	0.2
345.65500	0.2
443.81372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01865	0.5
55.05275	0.2
55.05510	1.7
55.39318	0.2
57.03436	0.6
57.07067	0.4
63.67368	0.2
65.03929	0.4
67.05171	0.4
67.05506	5.4
68.99791	0.9
69.03421	1.0
69.07054	1.0
69.36964	1.7
69.37389	0.7
71.04982	0.3
71.29229	0.2
72.48524	0.2
79.05489	5.0
81.03413	1.3
81.07053	4.4
83.04955	0.4
83.08603	0.6
85.02912	1.1
91.05483	3.3
93.03385	0.5
93.07041	4.2
95.04967	1.2
95.08040	0.4
95.08603	4.1
97.02872	0.8
97.10169	0.2
99.04449	0.3
105.07040	2.5
107.08595	2.9
109.02879	0.6
109.06515	0.4
109.10156	1.5
111.00794	0.7
117.06990	1.5
119.08577	1.9
120.15832	0.2
121.02869	0.7
121.10157	2.5
123.04449	0.6
123.11803	0.5
125.09654	0.3
127.03891	0.6
129.06963	0.3
131.08586	1.7
133.06468	0.3
133.10139	1.4
135.11703	1.4
137.02319	3.7
143.08597	0.2
145.06482	0.4
145.10126	1.3
147.11711	0.6
149.02309	0.4
149.13271	0.6
153.01817	4.3
155.47513	0.2
157.10172	0.3
159.11707	0.8
161.05963	0.2
161.13187	0.5
163.03967	0.3
163.14777	0.4
165.01848	2.1
167.08452	0.2
171.11632	0.3
173.05954	0.4
173.13301	0.6
183.02898	1.0
183.04379	0.4
184.07349	0.6
185.13255	0.4
187.03821	0.4
191.03368	0.2
195.02858	0.3
201.05463	2.0
211.04080	0.3
229.04947	4.5
243.21031	0.4
247.05969	0.6
257.04413	2.8
261.22180	1.5
274.04721	0.7
285.03955	1.5
303.04977	100.0
304.05389	1.9
304.96875	0.2
345.05991	0.4
369.24353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
53.40544	0.9
53.71589	0.9
55.01875	1.6
55.05515	10.1
57.03435	5.7
57.07073	1.4
59.04998	2.0
61.02922	4.1
61.58192	1.0
65.03939	2.3
66.11812	0.8
67.05505	59.2
69.03413	3.8
69.07063	7.5
71.03389	1.4
71.04995	46.8
73.02927	2.4
79.05061	1.8
79.05488	21.2
81.03410	4.4
81.07054	100.0
82.07361	1.2
83.04974	6.2
83.08627	8.8
85.02902	5.7
85.06538	10.3
86.09720	1.6
91.03961	1.4
91.05477	30.4
93.07045	24.1
95.04966	3.5
95.08607	11.3
97.02891	3.7
97.06535	7.1
97.10175	1.6
99.04481	1.3
99.08109	1.6
105.07036	14.5
106.07378	1.0
107.08597	15.5
109.02831	1.2
109.06525	2.7
109.10150	11.4
111.04446	1.1
111.08064	3.4
113.06013	1.1
117.07029	4.8
119.08567	4.8
121.06512	1.4
121.10139	8.4
123.08051	1.9
123.11694	19.7
129.06984	1.4
131.08592	6.1
133.10126	27.6
135.08060	1.7
135.11716	5.4
143.08546	1.6
145.10107	2.2
147.08141	1.1
147.11661	1.9
149.13277	7.6
151.11169	13.9
157.10141	1.2
157.50984	1.0
159.11716	7.8
160.12164	1.1
177.12730	3.0
183.13838	7.1
184.07391	1.5
187.13263	5.6
195.13695	3.0
201.14880	1.3
225.14755	1.6
257.17569	1.7
262.57065	1.1
269.17374	4.9
283.19006	1.5
285.16818	1.2
301.20068	19.3
303.04974	9.0
304.05148	6.0
310.97174	1.1
315.05179	1.1
316.05502	1.4
391.07986	1.0
393.26306	1.5
413.18115	1.7
419.28336	1.7
425.28937	4.6
437.29117	4.5
451.30502	10.8
463.30673	6.1
469.31616	69.1
470.31747	2.3
483.33136	10.2
495.33170	40.2
496.33289	2.4
527.35773	50.9
528.35999	1.9
615.49762	1.3
639.37708	1.7
690.94861	1.2
704.77789	1.3
724.39642	27.9
725.38562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.1
55.05507	7.7
57.03432	10.6
59.11980	1.3
61.02921	3.1
65.03927	1.8
67.05505	23.8
69.03418	4.9
69.07059	12.2
69.22567	1.3
71.04990	3.2
71.58461	2.8
79.05489	19.4
81.03413	36.5
81.06581	3.0
81.07055	49.1
81.38995	1.3
83.04972	5.8
83.08621	12.7
84.04483	2.1
85.02911	4.4
85.06548	2.6
86.99844	1.6
91.05474	21.5
92.05844	1.8
93.07043	19.5
93.72103	1.4
95.04971	15.0
95.08609	11.4
97.02895	4.1
97.06518	4.8
97.10186	1.8
99.08069	2.1
101.68667	1.4
105.07021	22.7
107.04946	3.3
107.08578	12.1
109.06514	4.5
109.10153	7.7
111.04431	3.3
111.08080	4.8
117.07052	2.3
119.08577	20.5
120.04487	2.0
120.08972	1.4
121.06503	1.9
121.10133	14.9
123.08080	2.2
123.11703	13.6
123.75054	1.3
127.03867	2.0
129.06995	5.0
131.08553	4.9
133.06473	3.1
133.10132	8.9
133.36723	1.8
135.08058	1.8
135.11703	3.0
142.07777	1.6
145.10132	2.2
147.08046	2.5
147.11676	31.6
149.09676	4.6
151.11189	3.0
157.10149	6.4
161.09587	2.3
163.11153	1.6
165.12718	13.2
175.11217	5.4
193.12248	15.2
209.11737	2.4
211.13217	2.2
229.14421	3.3
232.86279	1.4
233.15279	1.6
253.14354	3.8
267.15918	100.0
268.16196	3.3
269.17172	1.6
271.15405	3.4
273.18491	2.8
283.15356	1.6
285.16934	48.3
291.19620	4.2
365.23178	11.7
367.22928	1.8
451.27023	2.3
459.27405	12.0
477.28430	51.9
478.28922	1.9
481.62790	1.6
495.29395	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	724.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01875	5.9
55.05508	8.5
57.03439	8.0
61.02931	5.1
65.03956	1.3
67.05503	37.3
69.03430	4.3
69.07061	8.4
69.36530	3.3
69.36954	5.4
71.04989	3.8
73.02921	1.8
79.05096	0.7
79.05488	18.5
81.03413	5.8
81.07054	36.6
83.04976	8.3
83.08607	5.8
85.02906	6.1
85.06545	4.5
91.03937	4.1
91.05477	33.5
93.06473	1.7
93.07043	24.1
93.07629	1.6
95.04962	7.5
95.08595	11.3
97.02891	5.9
97.06526	3.9
97.10178	1.2
98.20712	1.5
99.04467	2.7
105.07028	28.4
107.04948	5.5
107.08592	23.0
109.02917	1.4
109.06487	5.7
109.10151	33.1
111.04449	1.5
111.08055	1.6
113.05973	1.4
115.03937	0.9
117.07026	4.4
119.08582	7.8
121.06501	4.1
121.10155	7.4
123.04402	1.5
123.08088	2.2
123.11719	6.7
125.09660	1.1
127.03951	1.2
127.07533	2.4
129.07016	3.3
131.08560	7.6
133.06485	5.0
133.10126	50.2
135.08078	4.8
135.11705	3.0
137.09645	1.8
139.11124	1.1
143.08524	2.1
145.04973	1.5
145.06427	1.1
145.10085	4.1
147.08031	3.2
147.11674	3.6
149.09657	6.1
149.13283	1.1
151.11166	24.1
157.10139	2.4
159.08049	2.1
159.11705	1.6
160.30627	0.9
161.09627	4.3
161.13266	1.0
163.05952	1.1
163.11179	2.5
169.12242	4.4
171.11650	1.2
175.11160	2.0
177.05556	0.9
177.09171	2.6
179.10722	1.6
185.13226	1.6
197.11806	1.2
213.12833	1.0
215.12740	3.2
233.15392	1.0
245.18983	2.7
251.12714	1.4
253.14340	77.2
254.14647	2.4
255.17502	1.2
263.20099	2.4
267.16040	2.0
269.13864	3.0
271.15411	12.6
273.18494	15.0
275.26727	0.9
285.16953	3.6
291.19522	14.0
309.20499	1.3
347.22238	6.6
365.23221	100.0
366.23553	4.1
383.24176	2.7
451.26794	1.9
459.27502	2.4
477.28122	2.7
527.28491	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	724.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39756	1.2
52.55716	1.2
53.03932	3.6
55.01871	6.8
55.05507	10.6
57.03435	10.1
61.02922	5.5
64.48681	1.2
67.05505	42.2
69.03415	6.8
69.07069	12.1
71.04984	7.2
71.41178	2.2
73.02919	3.3
79.05487	26.2
81.03416	6.0
81.07054	44.0
83.04977	9.3
83.08611	6.4
85.02905	8.0
85.06562	4.6
86.08289	1.2
91.03963	4.1
91.05479	41.5
93.07043	28.4
95.04964	10.7
95.08603	13.8
97.02892	4.9
97.06541	5.2
99.04430	2.0
105.07023	32.7
105.07687	2.6
107.04948	6.1
107.08587	30.0
109.06518	5.9
109.10150	39.1
111.08098	3.0
113.05997	1.8
117.07036	6.5
119.08555	9.2
120.04464	1.7
121.06516	4.8
121.10123	7.0
123.08055	3.1
123.11690	10.7
125.09596	2.1
127.03926	1.8
127.07552	2.7
128.06255	1.4
129.05443	1.8
129.07037	1.8
131.08563	7.0
133.06442	6.1
133.10123	57.8
135.00815	1.3
135.08031	6.6
135.11671	3.4
137.05952	1.8
137.09601	2.2
139.07565	1.2
143.08516	2.4
144.74930	1.3
145.04947	1.7
145.10141	5.3
147.08067	3.1
147.11699	3.9
149.09615	5.8
151.11168	23.5
153.12762	2.2
157.10107	2.2
159.08040	2.1
161.09662	4.5
163.11208	3.5
169.10095	1.9
169.12253	3.6
171.11604	2.0
175.11215	2.9
177.09120	2.1
179.10684	1.8
184.07416	1.7
195.11652	1.3
207.13751	1.5
215.12787	2.5
223.13382	1.7
227.18060	1.9
232.01469	1.3
245.19011	4.1
253.14342	85.3
263.20096	3.1
269.13947	2.2
271.15448	9.2
273.18533	14.7
285.16986	3.7
291.19559	13.2
307.76511	1.4
347.22125	7.0
365.23199	100.0
366.23529	2.8
383.24335	1.7
451.27090	2.4
459.28177	1.7
527.28406	2.7
541.31622	1.5
551.60809	1.4
686.08386	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56048	0.6
52.19059	0.5
53.03936	1.9
55.01864	2.7
55.05273	0.9
55.05513	12.3
57.03439	4.2
61.02913	3.6
65.03925	0.7
66.02836	0.5
67.05502	16.7
69.03432	5.7
69.07066	15.6
70.33348	1.4
70.33743	1.2
71.04985	2.2
73.02895	1.0
78.56699	0.5
79.05494	11.9
81.03415	7.2
81.06587	0.8
81.07051	15.5
83.04979	3.8
83.08619	6.0
85.02901	5.9
85.06544	1.0
86.09725	0.6
91.03963	3.5
91.05474	11.2
93.07034	10.6
95.04958	6.3
95.08593	6.3
97.02892	8.1
97.06509	2.1
97.10164	8.0
99.04449	1.0
105.07025	7.5
107.04946	3.7
107.08592	10.5
109.02855	1.2
109.06509	2.2
109.10165	6.6
111.04451	1.1
111.08038	2.2
117.07021	4.4
117.32926	0.6
119.04906	0.8
119.08577	7.9
119.46054	0.6
121.06503	2.4
121.10144	3.4
123.04432	0.7
123.08044	2.3
123.11665	1.1
125.09613	7.5
127.03909	1.2
129.06982	2.3
131.08559	5.9
133.06470	2.0
133.10136	4.9
135.08000	1.6
135.11678	1.9
137.09619	1.4
143.08548	2.2
143.10490	0.6
145.05014	0.9
145.10110	3.0
147.08009	3.6
147.11674	2.2
149.09622	1.9
149.13229	1.7
151.11215	1.9
157.10088	2.5
159.07997	0.8
159.11656	2.3
161.09552	1.4
161.13298	0.6
163.05923	1.0
163.11168	1.4
165.09105	1.6
169.12175	0.6
171.11688	0.8
173.13147	0.9
175.11198	1.7
183.11711	0.7
184.07347	1.3
185.13290	0.8
189.11259	4.3
193.12244	4.4
195.13864	0.9
205.12367	1.0
211.13275	2.4
223.13281	14.2
227.12773	3.2
245.19069	1.0
249.14862	1.6
253.14391	2.5
255.17567	0.7
265.14334	0.7
267.15820	2.7
271.15399	1.3
273.18509	9.2
285.16953	10.6
291.19531	62.5
292.19736	1.4
307.18927	0.6
332.88086	0.7
347.22168	3.3
365.23209	100.0
366.23431	3.1
383.24002	0.9
407.24332	0.7
429.21054	1.1
477.28320	1.2
527.28375	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	724.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01861	3.2
55.05510	12.3
55.62640	0.5
57.03434	4.9
59.04978	0.9
61.02917	4.6
67.05504	14.7
69.03427	6.6
69.07066	17.0
69.37833	1.5
69.38240	4.9
69.46348	0.6
69.56408	0.6
71.04985	1.9
73.02901	3.0
77.20066	0.6
77.89063	0.6
79.05487	13.8
81.03411	8.0
81.06587	0.8
81.07055	14.4
83.04984	3.2
83.08614	7.5
85.02903	6.0
85.06522	0.9
86.09686	0.9
91.03929	3.3
91.05473	12.4
93.07035	11.2
95.04962	6.1
95.08607	6.3
97.02896	9.7
97.06516	1.9
97.10160	8.5
105.07030	8.5
107.04945	4.3
107.08578	7.7
109.02850	1.1
109.06502	2.1
109.10166	6.6
111.04417	1.1
111.08072	1.8
117.07006	4.5
119.08566	6.8
121.06504	2.9
121.10158	3.6
123.08053	2.8
123.11717	1.3
125.09628	8.8
126.05548	1.0
128.06190	0.8
129.06969	2.5
131.08563	5.1
131.81732	0.6
133.06479	2.8
133.10123	4.7
135.08054	1.9
135.11700	1.5
137.09570	1.3
143.08556	2.0
145.04938	0.7
145.10120	3.7
147.07976	3.2
147.11693	1.9
149.09575	1.6
149.13278	1.8
151.11143	1.5
153.09189	0.9
157.06487	0.6
157.10132	2.6
159.11708	2.3
161.09528	1.1
163.05966	1.6
163.11165	1.7
165.09184	1.2
168.93217	0.7
171.11687	1.2
173.09625	0.8
173.13174	0.7
175.11194	2.2
177.12839	0.9
184.07355	2.4
185.13190	1.1
189.11314	3.6
193.12225	5.2
205.12270	1.2
207.14124	0.7
210.49124	0.7
211.13347	2.5
223.13293	12.5
227.12790	3.3
241.89063	0.6
245.14072	0.7
249.14828	2.1
253.14339	1.4
255.17125	0.7
261.14438	0.7
263.19757	0.8
267.15875	2.1
271.15424	1.1
273.18466	9.4
285.16946	9.3
291.19531	64.2
292.19864	1.2
347.22147	4.0
365.23215	100.0
366.23492	2.0
375.90335	0.8
391.19989	0.7
429.21240	1.4
468.81436	0.7
509.27573	1.3
527.28442	3.0
549.66650	0.7
736.12567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01860	2.3
55.05509	5.5
57.03438	7.6
60.27739	0.9
61.02926	11.7
67.05500	7.6
69.03079	1.6
69.03428	24.0
69.06731	1.3
69.07072	16.8
70.06581	3.7
71.01370	1.6
71.04971	2.4
71.57547	1.6
72.08150	1.3
73.02918	6.7
75.04446	1.0
79.05486	4.1
81.03413	6.8
81.07063	6.7
83.01337	3.3
83.04982	13.2
83.08612	1.7
84.08154	1.4
85.02905	100.0
85.06527	1.8
86.09713	1.5
87.04463	1.7
91.03950	7.2
91.05482	11.1
93.07043	10.5
94.54845	1.0
95.01328	37.6
95.04977	6.4
95.08605	21.2
97.02288	1.7
97.02894	30.4
97.06533	3.7
97.10172	5.1
99.00815	2.2
99.04451	3.7
101.02378	1.8
103.03921	3.7
103.05441	2.2
105.07023	20.5
107.04972	1.7
107.08587	10.9
109.02892	6.3
109.06515	4.4
109.09477	1.2
109.10168	12.5
111.04450	2.1
111.08065	2.8
113.02357	5.3
113.05974	1.0
115.03944	1.4
115.05463	1.2
117.07018	2.8
119.04921	1.7
119.08583	45.7
120.08084	1.1
120.09364	2.8
121.06519	2.3
121.10133	20.6
123.04439	4.2
123.08080	6.9
123.11666	4.3
125.05988	3.6
125.09598	1.6
127.03917	27.1
129.01846	1.3
131.03404	2.2
131.04892	1.4
131.08569	4.6
133.06471	1.9
133.10130	69.9
134.10744	1.5
135.04376	1.2
135.08073	6.5
135.11693	2.2
136.16429	1.0
137.05977	3.4
137.09605	2.4
139.03918	5.1
141.01825	74.3
141.05460	2.5
143.03386	3.5
143.08609	1.5
145.04962	41.1
145.10080	5.3
147.04414	3.6
147.08038	2.7
147.11691	24.8
149.05942	2.0
149.09598	1.9
151.03857	1.1
151.07576	1.6
153.05463	3.9
153.09108	2.5
157.04958	6.0
157.06116	0.9
157.10092	1.9
159.02884	10.1
159.06569	1.7
159.11694	1.7
160.12505	1.2
161.09602	2.4
161.13237	13.8
163.03978	1.3
163.06029	19.7
163.07410	2.0
163.11227	1.2
165.05450	1.3
165.09079	1.3
167.07074	4.5
169.04977	2.9
171.08002	1.2
171.10243	1.8
171.11635	1.3
173.09705	1.5
173.13219	4.7
175.07581	1.0
175.14824	80.0
176.15561	9.8
177.03951	8.7
177.05472	4.1
179.07047	4.9
183.06551	7.0
185.04483	3.0
185.08101	3.6
185.13286	2.1
187.14847	3.3
188.17487	0.9
189.09114	1.9
193.15900	6.5
197.08115	1.6
199.09634	1.3
203.05470	5.2
203.14331	1.9
207.06642	1.2
207.10187	1.1
209.11765	1.4
210.13872	1.1
211.05983	4.0
211.09554	1.0
213.07500	2.2
215.05492	16.6
215.14265	1.9
217.08485	1.6
225.09309	1.0
225.11201	4.8
229.04866	1.7
229.07072	21.2
229.11629	1.0
231.08653	1.3
233.78133	1.0
243.08659	7.5
243.12248	1.0
253.10683	3.6
255.13782	2.2
257.10196	7.0
269.10266	1.6
271.11755	21.0
285.06094	1.2
287.16437	1.7
295.11810	1.9
303.06888	1.3
305.17429	5.9
315.15833	1.5
321.08179	3.6
323.18561	1.1
333.16888	3.0
351.18015	79.1
352.18332	2.0
369.18942	1.4
580.67664	1.0
608.41980	1.1
637.56091	1.0
641.57709	1.1
724.24139	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	723.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79201	2.1
53.03937	4.7
55.05513	12.1
57.03426	4.8
57.07063	2.1
60.08160	6.4
65.03952	3.0
67.05505	41.8
69.03426	5.5
69.07055	8.2
70.74377	7.0
71.04992	13.0
71.07385	3.6
71.08628	2.8
79.05495	25.1
81.03416	13.5
81.07056	57.9
83.04966	14.5
83.08614	7.1
85.06533	6.4
85.41956	2.0
86.09705	31.5
87.04459	2.3
87.10042	5.7
91.05476	22.6
93.07062	21.7
95.04993	4.2
95.08603	21.3
97.02888	3.7
97.06552	6.2
97.10157	2.0
97.24625	2.0
98.98463	4.4
105.07034	15.6
107.08580	11.4
109.02894	2.3
109.06491	3.0
109.10139	11.5
109.14756	1.9
111.04421	2.7
117.06949	4.5
119.08583	9.3
121.10142	11.0
122.42178	2.2
123.08060	3.6
123.11739	10.8
124.99998	18.8
126.00313	3.1
129.05490	5.8
131.08572	6.5
133.10133	9.0
135.11691	7.0
136.89923	2.4
145.10173	4.9
147.04419	4.6
147.11719	3.6
149.13219	4.3
151.11125	4.5
159.11691	4.9
161.13289	2.0
165.12787	3.1
184.07338	100.0
185.07710	19.4
187.13278	7.0
193.12183	2.2
195.13835	3.9
216.74950	1.9
225.41049	2.2
234.40297	2.1
243.15848	3.6
267.16010	3.0
269.17416	4.6
315.40427	2.4
320.70343	2.2
335.25775	10.3
341.51660	2.0
408.48563	2.3
429.33865	2.3
440.31689	2.3
503.37244	21.0
505.38806	13.4
529.38861	3.7
561.41779	11.9
705.45563	3.6
723.45898	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	723.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.2
55.05510	18.6
57.03439	9.7
66.82261	6.5
67.05505	75.5
68.03058	6.5
69.07071	11.9
69.41930	26.8
69.42352	28.3
71.04993	15.8
79.05496	38.0
81.03424	14.2
81.07060	100.0
83.04985	21.9
83.08620	16.9
90.12651	5.7
90.75686	6.7
91.05482	32.6
93.07040	48.2
94.85756	5.6
95.08604	32.7
98.21465	11.8
105.07023	18.0
107.08615	17.9
109.10178	18.2
113.75170	6.5
119.08588	10.4
121.10174	11.4
123.11709	13.0
125.00018	10.7
129.05429	6.0
130.54526	6.8
131.08577	7.4
133.10164	17.4
135.11707	12.0
138.14981	7.0
147.11766	6.8
149.13206	10.3
151.11111	7.2
159.11739	8.3
184.07317	35.7
243.15930	8.9
269.17419	7.5
282.50500	6.3
335.25897	14.1
473.94922	8.5
503.37286	31.1
505.38821	17.3
561.41156	22.4
684.08240	7.6
705.44141	7.7
723.45447	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	723.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78206	4.4
53.03938	9.4
53.53014	4.0
55.01881	8.7
55.05508	40.1
57.03423	9.8
61.02925	20.9
64.38161	4.3
67.05500	92.2
69.03418	20.3
69.07070	31.5
70.49641	18.0
71.04996	10.0
73.02918	9.7
78.94342	3.8
79.05479	55.9
81.03420	29.4
81.07056	83.0
83.04979	17.3
83.08595	23.3
85.02888	25.6
85.06560	8.8
86.09712	4.4
91.03941	9.7
91.05483	55.8
92.05800	4.8
93.07039	65.1
95.04973	14.9
95.08605	44.3
97.02890	23.3
97.06551	14.1
97.10158	19.1
105.07028	56.4
107.04958	9.8
107.08587	44.8
107.72840	4.2
109.02849	6.9
109.06497	8.6
109.10155	34.4
111.08079	9.3
117.07014	28.1
119.08593	37.8
121.06530	6.5
121.10133	29.6
123.11731	11.4
125.09603	11.4
127.03937	6.1
128.06262	5.6
129.07011	21.3
131.08562	39.3
133.10143	30.6
135.08058	11.4
135.11708	15.3
137.02319	7.7
139.11162	5.0
141.07004	6.0
143.08565	19.6
145.10083	28.1
147.04355	4.8
147.08069	8.3
147.11687	16.5
149.09608	10.9
149.13255	6.3
155.08574	8.4
157.10095	24.0
159.11702	40.1
161.09648	5.4
161.13243	11.6
169.10172	9.6
171.11690	16.2
173.04480	5.7
173.09669	5.9
173.11853	7.3
173.13275	12.4
175.11185	5.7
181.10150	7.5
183.11705	11.9
184.07382	5.8
185.09671	5.4
185.13269	12.3
187.11179	5.1
187.14787	4.5
189.11238	6.0
195.11766	11.6
195.13675	5.4
197.13345	6.3
199.14902	7.1
209.13234	7.6
211.14764	7.3
227.12715	6.3
229.14325	4.6
239.17989	4.5
259.15457	6.6
267.16058	6.6
275.20178	8.7
285.22092	5.9
287.05450	6.8
287.19708	5.0
297.22357	4.8
299.23749	9.9
303.04950	17.5
315.04965	12.3
371.11081	6.0
413.17715	4.6
433.31192	7.8
451.31964	19.5
469.32965	15.7
517.35187	6.9
525.35773	34.7
543.36786	78.5
561.37811	55.3
631.28308	5.8
705.41772	6.9
723.39270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14523	0.4
53.03907	0.7
55.01829	1.2
55.05512	3.4
57.03395	1.3
57.07043	0.6
61.02888	1.0
65.03905	0.8
67.05502	8.1
68.99766	0.8
69.03423	2.6
69.07071	2.2
70.10832	1.9
71.04964	0.8
73.02866	1.3
77.04282	0.4
79.05489	6.4
80.05784	0.4
81.03417	2.7
81.07058	7.4
83.04943	1.1
83.08567	1.6
85.02895	2.4
91.05476	8.6
93.03342	0.4
93.07039	8.3
95.04928	1.7
95.08601	3.6
97.02882	2.0
97.06499	1.5
97.10117	0.8
99.04411	0.5
101.02312	0.6
103.05412	0.8
105.04435	0.4
105.07025	8.7
107.04961	0.7
107.08596	4.2
109.02843	1.4
109.06471	1.3
109.10159	3.2
111.00758	0.9
111.04424	0.6
111.08030	0.6
117.07019	4.0
119.08578	5.9
120.08833	0.4
121.02824	1.0
121.06455	0.8
121.10140	2.9
123.04374	0.8
123.08034	0.6
123.11671	0.9
125.09594	0.6
127.03850	1.4
128.06168	0.5
129.07001	2.2
131.08566	4.9
133.06403	0.5
133.09248	0.4
133.10127	4.3
135.08003	0.9
135.11693	1.9
137.02319	4.2
137.09563	0.5
139.69472	0.4
141.06973	0.8
143.08488	1.8
145.06396	0.7
145.10121	2.9
147.11674	2.8
149.02290	0.5
149.09579	1.0
149.13202	1.1
153.01816	4.7
153.03033	0.6
155.08553	0.7
157.10141	1.9
159.11662	3.0
161.01051	0.4
161.05879	0.6
161.13200	1.2
163.03938	0.7
163.11174	0.8
165.01814	2.6
167.08521	0.6
169.10092	0.7
171.11732	1.9
173.05963	0.6
173.13234	1.6
175.14825	0.6
181.10141	0.5
183.02858	1.1
183.11688	0.8
184.07307	1.1
185.09422	0.4
185.13219	1.2
187.03981	0.5
189.11169	0.5
197.13295	1.0
199.14748	0.4
201.05426	2.4
213.12692	0.6
219.06575	0.6
229.04961	5.8
241.19435	0.6
242.81482	0.4
243.08348	0.7
247.06009	0.7
252.38724	0.4
257.04358	3.9
257.18988	0.5
259.20615	2.4
269.17551	1.2
274.04694	1.1
275.16623	0.4
275.19946	1.9
285.03943	2.0
301.21597	0.8
303.04974	100.0
304.05319	1.9
315.04980	2.9
341.06439	0.5
345.06058	1.0
367.22571	1.1
369.06110	0.5
385.23755	0.8
403.24866	1.0
411.07306	0.5
413.17816	1.6
421.25836	0.5
517.34735	0.5
543.37518	0.6
551.28326	1.4
593.48267	0.5
723.39197	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	722.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.9
57.15550	0.4
58.06593	0.5
60.08161	5.3
60.32623	0.3
67.05484	0.6
71.07371	3.6
71.58307	0.7
81.07075	0.6
86.09702	27.8
98.98445	3.0
104.10741	2.1
116.92990	0.3
125.00002	19.0
140.59355	0.3
184.07332	100.0
205.79590	0.3
286.68332	0.4
481.39044	0.5
571.79639	0.4
690.46613	0.5
722.49835	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	721.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92270	11.6
55.05499	39.3
59.06124	72.7
67.05506	100.0
69.07054	16.2
71.59190	21.0
75.96914	14.1
79.05494	93.5
81.03398	32.7
81.07056	95.4
83.04996	19.5
83.08607	17.0
86.09702	19.3
91.05470	63.4
93.07054	87.0
95.04951	20.1
95.08588	46.0
97.10155	14.8
97.83695	12.2
105.07003	45.2
107.08575	52.5
109.10130	22.8
109.84939	13.7
119.08524	20.1
121.10130	18.2
129.06955	20.4
131.58218	12.1
133.10074	22.5
135.11732	14.4
145.10106	23.6
147.11717	28.6
159.11638	15.3
171.11661	21.3
184.07288	47.1
216.94624	15.8
281.17429	47.1
286.17349	14.1
296.95911	15.8
335.25797	32.9
362.49615	15.5
541.39166	87.6
598.56036	14.9
738.43713	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	721.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
53.34717	1.7
55.01860	4.1
55.05511	24.9
57.03434	9.7
57.07066	2.7
59.04990	3.4
61.02920	7.8
65.03957	2.8
66.93006	1.7
67.05504	77.3
69.03430	18.9
69.07063	19.4
69.32115	14.5
69.32532	2.6
70.72219	1.6
71.04996	28.1
73.02917	3.6
79.05495	46.7
81.02978	3.0
81.03421	32.8
81.07056	100.0
83.04986	12.1
83.08614	11.8
85.02894	6.9
85.06539	9.0
87.04443	2.0
88.44769	1.9
91.03977	3.1
91.05483	53.4
92.05782	2.1
93.07043	48.1
95.04980	12.1
95.08607	33.7
97.02899	11.7
97.06541	8.0
97.10155	4.8
98.15630	1.5
98.20586	1.8
99.04482	2.9
99.08080	3.5
103.05383	1.8
105.07026	45.1
106.07330	2.1
107.04969	2.6
107.08591	33.7
109.02876	5.4
109.06513	5.7
109.10158	15.1
111.04453	2.9
111.08058	4.9
115.05418	2.6
117.07020	16.1
119.08579	33.4
120.66852	1.9
121.06542	3.3
121.10143	20.2
123.08092	3.7
123.10947	1.8
123.11698	11.7
125.09634	2.7
127.03918	4.6
128.06229	3.5
129.05476	2.8
129.07013	14.7
131.08572	28.7
133.06528	2.4
133.10139	28.6
135.08025	3.3
135.11703	19.4
139.11197	2.3
140.09993	1.9
141.06993	4.8
142.07742	2.6
143.08557	12.1
145.06511	2.7
145.10115	23.3
147.11676	22.4
149.09554	4.5
149.13280	10.8
151.11176	6.1
155.08521	10.2
157.10124	18.3
159.11694	21.5
161.09665	3.4
161.13274	7.7
163.11185	2.5
165.12723	3.1
169.10165	10.1
171.08046	2.6
171.11697	11.1
173.04491	9.1
173.13263	12.8
175.11209	5.0
175.14799	4.9
177.12759	2.5
179.08560	3.1
181.10114	4.7
183.11693	8.0
184.07324	3.9
185.13248	8.7
187.11258	2.0
187.13231	5.9
187.14851	4.2
189.00708	1.8
193.12274	5.5
195.11667	4.0
195.13776	2.9
197.13225	6.5
199.11313	2.1
199.14832	4.9
201.16516	3.0
209.13284	2.9
221.13249	2.3
225.14764	3.9
227.16299	2.2
239.17969	2.1
241.19516	5.9
243.15950	5.3
256.26471	1.9
257.17236	3.5
259.20792	11.7
261.22134	9.3
267.15884	3.4
269.17297	2.3
271.20337	2.3
275.20020	4.8
313.21664	2.6
317.24646	3.0
333.24234	7.2
335.25894	5.5
339.23117	2.1
367.22830	2.7
401.34598	2.1
409.30762	2.4
419.18527	2.0
435.32663	5.2
445.24176	2.0
453.33484	2.6
501.35623	15.5
503.37302	54.7
504.37317	2.5
509.36078	2.2
527.37238	39.4
533.38135	3.3
535.41364	1.9
545.38568	2.7
559.39655	5.9
635.01874	1.9
653.40076	2.8
667.42114	2.5
671.41736	3.6
685.41937	3.0
689.42566	10.1
703.43610	3.9
721.46991	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	721.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96788	3.4
55.05505	21.2
57.03429	10.3
57.07070	6.2
58.14367	3.6
59.71356	3.6
67.05500	60.2
69.07059	17.2
71.57962	4.6
71.58456	4.0
77.11393	3.6
79.05059	6.4
79.05492	72.6
81.03409	15.2
81.06588	5.2
81.07057	67.2
83.04958	7.5
83.08610	4.9
86.09713	7.4
91.05482	53.9
93.07038	71.5
95.04990	18.8
95.08595	33.0
97.06525	5.7
102.85958	3.8
105.07029	41.2
107.04945	7.6
107.08587	23.5
109.06493	6.7
109.10143	11.4
115.05460	4.2
117.06981	12.3
119.08576	29.7
121.06508	4.9
121.10146	12.7
123.11748	5.9
125.00020	4.2
129.07022	9.2
131.08554	14.9
133.10126	15.6
134.80684	4.4
135.11676	11.4
143.08572	8.4
145.10126	11.9
147.11710	26.1
149.13246	8.1
159.11629	5.2
161.13243	7.2
171.11693	21.7
179.14320	3.9
184.07321	22.7
189.12715	6.6
207.13779	11.9
261.22028	8.9
281.17471	35.6
314.94080	4.0
335.25784	20.2
541.38879	100.0
609.44995	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	721.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01855	5.1
55.05270	2.1
55.05512	25.1
57.03447	11.2
57.07075	3.0
59.04984	2.5
61.02916	3.6
65.03921	3.5
67.05504	75.1
68.05836	1.5
69.03423	12.1
69.07066	22.4
69.25073	15.2
71.04993	23.6
71.08641	1.7
73.02918	2.6
79.05492	52.2
81.03418	35.0
81.07056	100.0
82.07365	1.9
83.04977	10.7
83.08620	12.0
85.02921	8.3
85.06541	6.7
91.03930	2.0
91.05478	51.5
92.05819	2.3
93.07043	52.6
95.04978	13.7
95.08604	36.2
97.02896	10.4
97.06528	9.3
97.10155	5.7
99.04454	5.3
99.08064	3.9
103.05500	1.8
105.07030	46.3
107.04930	4.7
107.08588	31.8
109.02872	6.2
109.06508	6.0
109.10145	19.2
111.04451	3.6
111.08071	4.3
113.11684	1.4
115.05462	2.8
115.66592	1.2
117.07011	16.0
119.07790	2.6
119.08575	32.7
119.09370	2.9
121.06512	3.5
121.10136	20.3
123.08082	2.2
123.11692	12.0
125.09621	3.5
127.03891	5.3
127.07527	1.3
128.06158	2.6
129.05490	1.9
129.07027	10.3
130.07784	1.5
131.08562	27.8
132.09222	1.5
133.06509	2.9
133.10132	33.0
135.08057	4.5
135.11690	18.1
137.05992	1.6
141.07007	3.1
142.07614	1.4
143.08549	10.7
144.09210	1.6
145.06454	3.3
145.10120	21.0
147.08078	2.2
147.11679	23.5
149.05933	1.5
149.09622	4.0
149.13248	11.0
151.11186	5.5
153.07008	2.2
153.12737	2.7
155.08537	5.4
156.09320	1.3
157.10120	12.1
159.07997	1.5
159.11714	17.9
161.13277	12.1
163.11140	2.6
163.14822	1.7
165.12720	3.1
167.08594	3.3
169.10089	6.3
171.11688	8.6
171.13857	1.4
173.04448	14.4
173.11879	2.0
173.13261	10.6
175.11211	3.8
175.14833	4.0
177.12645	2.7
181.10153	3.8
183.11655	7.4
185.09630	2.0
185.13232	9.0
187.13303	5.0
187.14857	4.1
193.12227	3.7
195.11751	3.8
195.13745	1.4
197.13179	3.1
199.14833	5.4
201.12897	1.9
201.16460	2.1
207.11653	1.6
209.13269	2.8
211.14856	2.3
212.72415	1.4
213.12854	1.7
213.16451	2.5
215.17847	1.9
216.49283	1.2
221.13481	1.9
223.14839	2.5
227.12759	2.7
227.16350	2.9
229.14394	1.5
231.21049	1.8
237.16402	2.4
239.14301	1.7
241.19467	4.4
243.15842	7.4
243.21068	4.1
257.17111	2.4
259.20813	10.0
261.22168	9.1
267.15939	5.5
275.19989	7.1
283.15405	1.9
283.20395	1.5
301.20142	1.5
315.23312	2.8
317.24799	4.1
331.22699	1.5
333.24521	7.0
335.25809	3.4
351.23404	2.4
393.24109	1.8
393.31372	3.2
409.31155	2.7
411.32401	4.5
413.21799	2.4
435.32358	2.6
445.23944	1.8
485.36169	5.6
501.35678	19.1
503.37326	76.1
504.37527	3.3
509.36578	1.8
527.37305	17.9
533.38477	2.8
541.34955	4.5
559.39209	1.8
596.59668	1.6
636.59241	1.7
648.60345	1.5
653.40558	2.5
665.88458	1.3
671.41345	3.1
685.42236	2.9
689.42700	7.9
703.42242	2.6
721.36877	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01874	13.1
57.03439	1.8
58.06796	1.1
65.03941	6.5
67.05498	3.0
69.03421	1.7
69.51691	10.5
70.06583	4.6
71.04992	1.4
73.63792	1.4
75.04467	3.8
79.05506	6.3
81.03408	3.0
83.04989	1.5
84.08146	2.7
85.02898	5.0
86.09691	2.1
91.05482	10.5
93.03410	4.0
93.07037	2.6
94.04206	1.5
95.04961	12.2
97.02910	2.0
97.06511	2.6
99.04465	1.8
100.87666	1.2
103.05470	13.8
105.03322	1.6
105.07025	7.2
106.04164	6.1
107.01308	5.2
107.04955	12.6
109.02863	2.6
109.06512	3.9
110.03677	3.3
111.04443	13.8
115.05465	4.1
115.25274	1.2
117.07028	4.9
119.04956	4.1
121.06513	11.2
122.03651	3.4
123.04424	13.4
125.05991	11.9
128.06212	4.7
129.07002	25.6
131.04924	14.7
131.08543	2.7
132.05745	1.4
133.06500	8.8
134.03636	2.4
135.04431	5.2
135.08040	2.6
137.05977	49.1
138.06252	1.3
139.03917	21.0
139.07587	2.4
141.06992	1.6
143.04921	2.8
145.02841	2.3
145.06473	8.6
147.04356	8.0
148.05296	2.1
149.05980	16.5
150.06743	3.0
151.02113	2.4
151.03922	4.7
151.07527	14.3
151.40431	1.3
153.05470	21.1
153.09097	2.8
155.07043	3.6
157.06485	25.6
158.07214	2.6
159.04385	4.3
159.08054	2.4
160.05168	6.1
161.05986	11.9
161.09639	1.7
162.01338	4.5
163.02203	1.4
163.03928	5.5
163.07547	13.3
165.05447	2.8
165.06842	1.5
167.03450	2.1
167.07054	26.3
169.06488	1.7
171.06558	3.3
171.08084	1.3
173.06021	1.9
174.06758	13.5
175.07568	28.2
177.05463	28.8
177.09093	2.3
179.01642	2.3
179.07034	9.7
179.08452	2.0
181.04974	39.8
181.06502	1.4
181.08574	8.0
181.91626	1.2
185.05984	1.9
187.07521	9.8
188.08377	3.2
189.05441	4.5
189.07327	1.5
189.09096	45.9
190.00830	4.2
191.06996	6.2
191.08519	3.3
193.08600	4.9
194.07315	1.6
195.06503	4.2
197.05841	1.5
199.07573	4.6
201.09123	4.4
203.06992	2.1
205.08591	4.0
206.07217	1.8
207.06516	2.4
207.08772	2.2
208.01888	3.0
209.08098	52.0
211.07701	1.6
215.07047	2.2
217.06560	3.4
217.08626	13.6
218.07318	2.4
219.08051	6.6
219.10194	12.0
221.08032	22.8
223.04233	49.7
225.09109	2.6
233.05966	1.9
233.09703	3.0
234.06708	3.5
235.07492	5.2
235.09729	5.3
236.08241	1.9
237.09126	4.1
241.08565	2.0
247.07532	4.6
248.08240	1.8
249.09067	5.3
251.07007	1.9
251.10672	5.3
253.08679	2.2
255.06586	2.5
261.09122	5.2
262.06464	1.4
263.07022	3.0
263.10580	2.1
264.07809	2.2
265.08600	4.8
266.09180	2.0
268.07980	1.3
268.11008	2.1
269.08115	2.2
277.08615	8.8
278.09338	3.7
279.10095	6.1
281.08539	1.6
281.11761	2.5
283.13428	1.6
291.10117	3.3
293.08215	2.1
293.11673	3.8
295.09760	3.5
296.10416	3.8
297.11197	4.4
300.09644	1.6
303.10339	1.4
307.09506	4.2
308.10138	1.5
309.11243	5.7
310.11304	1.5
311.12775	12.7
312.09055	7.6
314.11395	3.1
321.11108	5.1
325.10736	2.1
327.12247	3.4
329.13824	100.0
330.10266	2.4
330.14188	3.3
335.11981	1.3
339.12268	26.2
339.16257	2.2
341.13913	2.9
343.15384	4.3
353.13757	2.8
357.13345	52.9
358.06702	1.4
358.13824	1.8
359.14899	3.4
361.16568	2.1
371.14890	64.1
371.19638	3.1
375.14185	6.1
377.02020	1.8
389.15927	57.5
390.16379	1.4
422.05383	1.4
472.09534	2.0
581.23499	1.7
719.46875	3.0
720.46710	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44350	0.7
67.05486	0.8
68.57077	0.7
69.83226	0.7
71.03568	1.6
77.79114	0.7
82.71787	0.7
83.34036	0.7
86.57664	0.6
110.48232	0.7
118.06521	0.7
184.07396	0.7
204.06525	0.8
209.10878	1.1
210.11470	1.1
223.12343	1.7
224.13109	1.3
225.10326	1.2
225.13892	3.7
237.13911	2.5
239.15530	0.8
249.10486	0.9
249.13786	1.7
251.08229	1.5
262.01266	0.7
300.33755	0.9
314.12982	0.7
315.22995	0.7
364.39667	0.7
400.69418	0.8
401.14853	0.9
403.15482	1.6
404.20468	0.9
417.16904	4.2
418.17789	2.8
419.18634	1.6
428.16193	0.9
429.17181	0.8
431.18640	3.0
432.19647	2.7
433.20013	5.5
445.16092	0.9
447.21939	10.8
448.22610	1.7
459.22180	1.5
462.20551	0.9
474.20361	1.6
475.21295	24.5
476.21976	4.3
503.20609	3.9
506.83185	0.8
515.21173	0.8
519.24103	1.0
535.23364	14.9
547.23438	3.1
549.25201	1.9
561.25037	8.4
562.25848	3.1
563.26221	3.3
590.25439	0.9
607.25415	1.5
621.27258	8.1
622.27850	100.0
623.28320	3.2
719.45593	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.3
53.82577	5.2
55.01874	14.0
55.05510	51.2
57.03436	9.6
57.07079	8.5
60.19017	4.3
67.05502	100.0
67.05834	8.8
69.03432	10.4
69.07076	26.8
71.04995	12.8
71.08639	6.1
71.58467	10.3
73.02920	5.8
77.03922	6.4
78.48927	4.8
79.05499	87.8
81.03422	28.9
81.07052	86.9
82.74200	5.5
83.04974	13.5
83.08627	18.7
85.02882	9.7
85.06538	7.6
87.04481	6.7
90.66422	5.0
91.04961	9.1
91.05484	93.4
93.07040	85.7
95.01321	17.8
95.04961	28.8
95.08604	56.8
97.02896	14.1
97.06519	9.8
97.10177	13.3
105.07024	80.8
106.07354	5.8
107.04977	16.3
107.08583	49.6
109.06545	9.4
109.10149	19.3
111.04440	6.8
111.08059	7.4
117.07039	34.0
119.08582	48.2
119.99755	4.8
121.06552	8.2
121.10124	30.0
123.04411	11.7
123.08087	7.0
125.09679	15.4
127.03905	8.7
129.07007	23.9
131.08601	35.8
133.10110	38.4
135.08078	8.8
135.11687	20.0
136.06203	4.8
141.06984	7.2
143.08577	19.5
145.06499	6.9
145.09096	4.9
145.10063	26.5
147.11700	32.9
149.13232	11.3
151.03925	11.8
153.09164	4.9
155.08591	14.7
157.10135	24.1
159.08078	5.9
159.11708	23.0
161.13277	18.0
163.11230	6.5
169.10146	15.1
171.11739	24.8
171.34293	5.3
173.13232	15.8
175.03824	5.9
175.14766	6.2
179.03436	14.7
179.14314	13.9
181.10191	13.5
183.11716	14.7
184.07422	6.6
185.13281	11.5
189.11252	10.9
195.11685	8.5
197.04469	8.6
197.13292	7.5
199.14838	5.6
207.11731	8.0
207.13763	7.3
209.13330	6.3
211.99129	5.7
233.11755	6.5
237.16328	5.8
241.19566	13.5
243.10220	7.2
259.20615	14.3
261.11279	6.0
261.22223	5.5
275.20139	17.4
277.21719	13.1
281.17526	20.1
287.12872	7.1
303.12335	6.6
317.05838	5.1
321.13315	7.5
331.11786	6.0
333.24286	12.1
351.14151	5.2
353.24802	5.2
367.13788	8.3
437.34604	6.7
441.17242	5.4
447.32587	10.4
465.33505	8.8
483.34982	5.4
521.36804	5.5
521.50928	5.5
529.39063	6.4
539.37268	62.3
557.38324	42.4
701.39697	14.4
719.38477	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	719.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	4.0
69.07037	1.2
70.71933	2.4
79.05473	2.5
81.07049	3.7
84.42157	0.8
89.59339	0.8
91.05463	3.0
93.07034	3.3
95.04952	1.0
95.08580	2.4
105.07028	1.4
107.08575	1.3
117.06983	1.0
119.08566	1.2
121.10171	1.4
129.06970	1.2
131.08595	1.3
141.07013	1.1
143.08554	1.4
195.09239	0.9
223.08601	1.5
223.12398	1.1
224.13098	1.5
225.13832	3.1
227.12802	2.2
237.06648	0.9
237.13873	1.5
249.13919	1.2
268.93536	0.9
283.15567	1.2
284.15887	1.1
291.92017	0.9
313.27460	1.5
314.27484	1.6
335.25595	1.3
349.21503	1.1
367.22711	2.0
389.17859	1.1
403.15225	2.2
404.16193	0.9
405.20068	0.9
417.16986	3.6
418.17807	3.0
431.18573	3.8
432.19366	2.2
433.20151	5.7
445.15961	1.8
446.16690	1.4
447.21951	10.3
448.22342	1.7
459.21710	1.2
474.20465	1.7
475.21268	27.5
476.22144	5.6
503.20557	3.2
519.23981	1.3
522.38562	0.9
534.26257	1.0
535.23340	16.6
547.23328	3.1
549.24780	1.4
561.25189	6.8
562.25720	7.2
563.26276	3.5
590.24768	2.1
621.27155	9.4
622.27826	100.0
623.28009	7.6
631.35590	2.4
701.32886	1.8
701.47174	3.1
719.34436	1.4
719.48151	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	718.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81744	1.7
52.36264	1.7
53.03943	3.9
55.01864	5.5
55.05507	19.9
56.96555	3.2
57.03432	12.6
58.50264	1.8
59.04999	3.0
61.02914	3.6
65.03936	2.4
67.05503	100.0
69.03419	7.2
69.07071	16.2
69.35671	17.4
69.36092	3.6
71.04972	5.9
78.87678	1.7
79.05495	24.9
81.03413	9.2
81.07047	40.1
83.04964	5.1
83.08623	16.2
85.02927	3.9
85.06527	5.3
89.03471	1.9
91.05470	25.8
93.07040	24.2
95.04956	6.9
95.08597	19.8
96.07889	1.7
97.02887	2.6
97.06519	10.8
97.10197	10.7
98.21577	3.2
99.08084	4.1
105.07041	20.2
107.04932	8.0
107.08578	22.0
109.06517	5.1
109.10155	75.1
111.08080	7.4
117.07013	11.3
119.08578	20.0
121.06498	2.4
121.10147	9.0
123.11682	2.6
125.09656	9.4
127.03935	4.4
129.07030	3.2
131.08560	10.5
133.10118	10.2
135.08069	3.2
135.11688	7.0
137.09581	6.5
143.08568	1.9
145.10117	10.9
147.11679	7.8
149.09612	8.7
149.13234	3.5
155.10709	3.8
157.10229	1.7
159.11691	5.0
161.13245	3.5
163.11179	7.4
171.11668	2.4
171.57266	1.8
173.11775	22.9
173.13194	3.4
176.26366	2.3
177.12834	2.4
183.11858	2.3
185.13190	2.2
189.11211	5.1
195.13754	3.3
227.12773	21.5
229.14336	70.2
241.11131	3.0
255.16010	3.3
257.18970	8.6
259.12177	6.1
269.17456	8.6
275.20020	28.1
331.15570	2.4
331.22607	2.3
332.66803	2.5
349.16946	4.4
349.23688	27.0
367.17908	12.7
368.18164	8.3
377.90744	1.9
383.24106	2.9
397.88486	2.6
399.23657	7.9
409.25772	12.3
423.27423	48.0
424.27722	2.3
492.54874	2.1
503.26321	2.6
503.33618	39.3
515.97687	2.3
521.34430	5.3
581.70776	2.2
683.10718	2.3
718.41418	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	718.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
52.84528	0.6
53.03932	1.9
55.01859	2.5
55.05511	0.6
56.28663	0.7
57.03417	0.7
61.02895	0.7
65.03933	4.4
67.05485	2.6
69.03415	1.9
69.34995	6.6
70.06577	2.2
71.04988	0.9
75.04472	2.6
77.03933	0.8
78.04703	1.7
79.05505	4.1
80.56561	0.6
81.03421	3.0
81.07037	2.3
83.08559	0.8
85.02916	4.4
86.09697	1.2
89.03890	0.9
89.06033	0.8
91.05474	11.9
93.03400	5.8
93.07046	5.4
94.04174	1.6
95.04974	6.8
95.08588	1.1
97.02825	1.1
97.06516	2.1
98.21549	0.9
99.04391	0.7
103.05468	25.6
105.03365	1.5
105.04517	1.1
105.07032	5.5
106.04177	11.2
107.04955	8.8
107.08566	0.8
108.02076	1.4
109.02858	0.9
109.06542	1.3
110.03649	0.9
111.04434	2.1
115.05460	4.8
117.03392	1.4
117.06989	2.7
118.04159	4.4
118.77232	0.7
119.04935	3.6
119.08591	1.6
120.05747	0.8
121.06499	15.8
121.10151	1.4
122.03602	5.0
123.04401	2.7
124.05207	1.1
125.05990	6.1
127.03872	0.7
128.06287	0.8
129.06978	2.3
130.04123	1.7
131.04926	36.7
132.05681	1.4
133.02834	1.4
133.06473	5.8
134.03618	2.6
135.04405	2.1
135.08057	2.7
137.05975	65.3
139.03938	0.8
139.07481	1.7
141.05434	2.8
143.04922	2.2
144.05666	1.2
145.02849	1.8
145.06473	4.7
146.03638	1.3
147.04411	4.4
147.08095	1.6
148.05197	10.4
149.05981	24.3
149.09496	0.7
151.03905	76.8
151.04973	3.7
151.07445	1.5
152.04430	1.0
153.05499	2.2
153.09132	7.0
157.06508	1.1
159.04382	1.3
160.05170	2.3
161.05939	4.8
162.01338	1.9
162.06709	0.8
163.02138	0.7
163.03932	2.3
163.07541	25.0
165.05469	3.3
165.09052	1.2
166.06331	0.7
167.07039	15.1
171.04390	0.8
171.06496	1.3
173.05992	3.2
174.06738	0.7
175.03859	1.0
175.07521	5.7
176.04634	3.4
177.05469	20.4
177.07060	1.0
177.08992	1.0
178.06009	1.1
179.07018	2.3
181.04967	21.3
181.06590	1.4
181.06963	1.0
181.08577	14.7
187.07547	2.7
189.05463	1.5
189.09125	1.3
190.00865	1.6
190.06221	1.6
191.07025	100.0
192.07773	3.0
193.04904	1.1
193.08621	1.9
195.06497	2.8
201.05470	0.9
203.07030	4.0
205.06625	1.0
205.08592	2.8
207.06500	1.6
207.10344	1.3
208.01811	0.8
209.08087	74.9
210.08559	0.8
217.08560	2.0
219.10184	2.8
221.08076	0.9
223.04230	14.3
223.06294	1.2
223.09561	1.2
225.09204	1.0
231.06628	0.7
232.94688	0.7
233.08174	4.4
234.06691	1.0
235.07613	1.2
235.09645	3.5
237.09091	1.0
245.08051	0.8
249.09039	1.3
249.87527	0.7
251.06847	1.1
259.09616	1.5
263.06522	1.1
263.09125	14.6
264.47131	0.7
265.08633	1.8
267.10251	1.7
277.08615	1.3
279.10147	1.0
293.07886	1.1
295.09433	1.4
297.11234	0.9
307.09769	1.3
309.11075	1.1
312.09033	1.2
325.10812	1.4
327.12274	2.7
327.25156	1.6
329.13699	1.6
337.10580	1.8
341.13934	0.8
351.12286	1.7
355.11746	10.2
357.13364	2.6
359.14828	1.7
369.13223	3.7
385.12878	0.7
387.14374	25.2
391.99271	0.7
410.20386	0.7
417.15344	0.8
547.19409	1.3
579.22296	1.8
718.34869	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01871	4.3
55.05262	2.2
55.05509	22.9
55.80311	1.0
57.03433	11.6
57.07073	2.5
59.04995	5.1
61.02927	2.2
65.03941	2.3
67.05504	100.0
68.07798	1.1
69.03432	9.6
69.07068	20.9
71.04985	4.7
71.58230	1.8
73.02926	1.2
79.05493	20.7
81.03440	7.6
81.07059	29.9
83.04974	4.3
83.08620	12.6
85.02905	4.7
85.06538	4.0
91.05480	23.3
93.07032	15.7
94.66266	1.2
95.04968	7.1
95.08615	13.8
97.02892	10.4
97.06521	3.0
97.10176	10.6
105.07036	14.4
107.04948	5.8
107.08595	12.0
109.02859	1.5
109.06511	3.1
109.10155	66.6
111.04354	1.6
111.08084	3.2
115.05489	1.8
117.07005	5.9
119.08591	16.3
121.06489	4.1
121.10143	5.1
123.04312	1.0
123.08064	4.1
125.09642	7.0
128.06238	1.7
129.07001	3.8
131.08580	5.1
133.06496	3.9
133.10133	7.4
134.07268	1.9
135.08054	3.2
135.11697	2.7
136.06184	9.7
137.09599	4.1
141.07034	1.4
143.08583	3.6
145.10153	4.5
147.08076	4.6
147.11723	3.1
149.09645	2.5
151.11215	1.9
155.10675	4.0
157.10152	2.1
159.11725	2.3
161.09660	3.3
162.10388	1.8
163.11214	1.9
165.09100	1.8
171.11652	1.9
173.11772	19.8
185.13284	1.3
189.11226	4.0
205.12164	2.3
223.13284	17.0
227.12819	4.3
229.14349	64.7
245.19154	1.4
249.14937	3.0
253.14360	4.3
267.15820	1.2
273.18491	16.8
291.19553	85.6
328.28812	1.2
330.19363	1.3
347.22089	2.8
365.23227	37.3
400.98880	1.2
421.26044	1.4
439.26846	3.3
501.31866	2.1
519.33148	91.1
520.33380	3.5
660.28296	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97698	0.4
67.05496	1.3
69.81563	2.0
69.81978	0.9
72.58447	0.4
73.69936	0.4
79.05472	0.9
81.07036	0.6
83.04964	0.7
85.02892	0.6
91.05485	0.8
91.24510	0.4
93.07053	1.4
97.02890	0.5
111.04440	0.8
113.17407	0.5
119.08579	0.7
121.10150	0.5
127.60136	0.4
131.08649	0.5
157.04741	0.5
185.04211	2.3
201.03772	1.3
203.05318	0.5
204.08464	0.5
211.07404	0.4
259.07861	1.1
275.07443	0.7
301.09097	0.9
317.08423	0.5
319.09897	0.6
331.10083	3.7
347.09412	3.8
363.08984	3.0
373.14673	0.8
391.24725	0.7
415.19492	0.8
421.12695	0.6
437.12680	1.5
455.22528	0.8
460.08322	0.6
463.14343	0.6
483.21692	2.2
493.15155	4.8
507.17139	1.3
521.18396	0.8
535.20190	1.5
535.28113	0.8
553.29840	11.8
577.24744	1.1
617.27332	0.9
629.25690	0.5
645.26898	0.9
715.35022	100.0
716.35425	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	715.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
57.03428	0.3
67.05502	0.5
71.58409	0.6
79.05488	0.5
81.03417	0.5
81.07062	0.5
83.01075	0.6
83.04977	0.7
84.04485	0.3
85.02899	0.5
91.05457	0.5
93.07030	1.1
94.82854	0.3
95.01096	0.6
95.08581	0.3
105.04515	0.3
109.06484	0.4
118.99675	0.3
121.10181	0.4
127.03735	0.4
131.08575	0.4
136.06180	0.7
141.05237	0.4
156.04010	0.4
157.04776	0.5
171.08096	0.4
185.04179	2.1
201.03716	2.0
203.05263	2.5
241.06744	0.5
257.06366	0.8
259.07886	2.3
275.07318	0.4
301.08853	0.5
305.17419	0.5
317.08502	0.8
319.09973	1.7
329.08481	0.9
331.09894	2.3
347.09454	4.0
359.13098	0.4
363.08942	2.0
365.10504	3.9
373.14847	0.8
391.24530	0.7
401.18103	0.8
415.19385	1.2
421.13211	2.3
437.12839	0.6
441.21036	0.5
455.22714	0.8
483.22031	2.0
493.15359	4.4
507.16846	1.0
521.18542	0.9
535.19788	1.1
535.28833	0.4
549.21680	0.4
553.29803	11.8
553.38208	0.7
563.23022	0.7
577.24738	1.9
617.28375	0.8
645.27283	1.1
715.35059	100.0
716.35229	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	714.551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.3
56.05030	3.7
57.07058	4.0
59.21686	1.5
60.04533	2.2
67.05509	10.7
69.07064	10.4
70.06591	1.9
79.05498	10.7
80.04997	3.2
81.07063	11.4
82.06570	7.8
83.08607	6.1
85.02885	4.0
91.05457	9.3
93.07027	8.2
94.06566	20.3
95.07330	7.1
95.08630	9.3
96.08128	6.2
97.10191	3.2
105.07018	5.7
107.07291	2.6
107.08562	5.6
108.08112	3.1
109.10130	3.0
119.08573	4.6
121.10129	5.1
122.09587	2.5
133.10138	4.2
135.11649	3.4
233.22655	3.6
245.22707	6.0
250.25267	9.0
262.25299	100.0
272.25818	5.0
280.26401	8.2
283.80768	1.8
310.92957	1.9
504.27826	1.8
504.47659	3.4
516.47736	19.7
518.49268	3.1
534.48999	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	714.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07368	1.0
53.03942	1.2
53.76669	1.1
55.05503	5.7
56.05025	4.3
57.07070	2.7
60.04522	3.1
67.05511	10.0
68.05010	1.2
69.03408	1.0
69.07065	7.5
70.06584	1.7
71.08636	1.2
71.32104	2.1
79.05492	9.7
80.05014	2.5
81.05795	1.7
81.07053	10.9
82.06585	6.3
83.08617	3.1
85.02932	1.4
91.05471	8.3
93.07025	8.3
94.06570	14.8
95.07348	7.1
95.08619	7.5
96.08141	5.1
97.02923	1.1
97.10166	2.5
104.00917	1.2
105.07009	4.4
107.08590	5.4
108.08138	3.2
109.10152	2.9
119.08574	4.3
121.10133	4.9
122.09641	2.9
133.10115	3.0
135.11644	2.3
147.11668	1.8
149.13307	1.5
182.75320	1.2
188.14134	1.2
233.22626	4.0
245.22623	3.9
250.25375	7.8
257.14252	1.2
262.25296	100.0
269.31195	1.2
272.25742	6.2
280.26337	8.0
295.60474	1.0
365.07712	1.0
504.47778	6.0
516.47729	27.6
518.49127	5.5
534.48779	15.1
573.91272	1.3
608.71472	1.2
696.53607	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	713.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41156	0.5
61.02927	0.7
67.05492	0.9
69.07047	0.5
69.55468	5.1
73.02894	0.7
77.61029	0.5
79.05491	1.2
81.07057	1.0
83.04971	0.7
85.02924	0.7
85.19182	0.6
87.66888	0.7
90.56374	0.6
91.05451	1.2
93.07039	1.5
95.08630	1.1
97.02886	0.9
105.07021	1.0
107.08594	0.7
119.04955	0.5
121.10207	0.6
135.08084	0.6
136.06209	1.0
137.05978	0.7
138.05554	1.0
203.05219	1.7
259.07965	1.8
347.09518	1.5
351.89795	0.6
365.10431	3.2
371.29361	0.7
380.97034	0.6
389.23120	3.6
421.13406	1.5
551.28259	24.3
552.29083	0.8
641.30957	0.9
713.33466	100.0
714.33917	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	713.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
54.39218	0.1
55.01674	0.1
55.01871	1.5
57.03431	1.0
57.29839	0.1
61.02928	0.8
62.20860	0.1
64.62881	0.1
65.03922	0.4
67.30319	0.1
68.99792	1.0
69.03428	4.8
69.46710	0.7
69.47142	0.5
70.06599	1.4
71.04975	0.6
72.08141	0.4
72.35193	0.1
72.59291	0.1
73.02917	1.3
80.36534	0.2
81.03413	6.3
84.04507	0.2
84.08134	0.3
85.02901	9.7
86.06075	0.1
86.09691	0.3
87.00822	3.9
87.04468	0.2
91.03937	0.4
91.05465	0.5
93.03357	0.2
95.04942	0.3
97.02292	0.2
97.02887	3.6
99.04449	2.1
105.01856	2.4
109.02122	0.3
109.02875	5.3
110.07161	0.2
111.00778	0.8
111.04403	0.2
117.01830	0.6
119.04887	0.6
121.02870	0.9
123.04466	0.4
127.03914	6.9
129.01825	0.5
129.10223	0.2
131.04929	0.2
133.06407	0.2
135.04335	0.2
137.02332	2.7
137.05934	0.2
143.48596	0.1
145.02914	0.2
145.04955	2.4
145.06065	0.2
145.06523	0.1
147.02890	0.5
147.04391	1.9
149.02336	0.3
152.07002	0.2
153.01828	2.7
159.02882	2.5
161.06000	0.5
163.03873	0.6
165.01833	1.9
166.02570	0.2
167.07031	0.4
168.07428	0.1
173.05960	0.3
177.05511	0.3
181.04988	0.2
183.02888	0.6
187.03847	0.3
195.02827	0.2
199.10941	0.2
201.05428	1.1
205.04971	0.2
212.09485	0.2
213.03828	0.2
214.66156	0.2
219.06546	0.2
229.04941	3.9
230.05269	0.2
231.04985	1.1
241.15659	0.1
243.27667	0.2
247.06000	0.9
257.04422	2.7
271.16934	0.2
274.04706	0.6
275.05377	0.2
285.03915	1.4
303.04968	100.0
304.05341	1.3
345.06088	0.5
465.10284	13.1
466.10733	0.2
532.72223	0.2
551.10077	0.2
713.25665	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	713.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01868	1.5
55.05497	0.2
57.03438	1.9
57.24763	0.2
61.02932	1.6
65.03950	0.2
67.01866	0.2
67.05482	0.3
68.99781	1.0
69.03429	9.8
69.07058	0.2
69.25242	2.1
70.06599	1.2
71.01334	0.3
71.04986	1.2
72.08134	0.4
73.02908	1.7
79.05480	0.3
81.03417	7.5
83.01331	0.3
84.04495	0.2
84.08117	0.8
85.02904	20.1
86.03230	0.2
86.09695	0.4
87.00832	4.6
87.04464	0.9
91.03936	0.9
91.05495	0.3
92.65905	0.2
93.03402	0.3
93.07034	0.3
94.06555	0.6
95.04958	0.3
97.02289	0.4
97.02895	6.9
99.04456	2.8
100.94334	0.2
101.02397	0.3
103.03923	0.5
105.01865	2.8
105.07040	0.2
109.02876	6.3
111.00782	0.7
111.04436	0.2
115.03904	0.3
117.01863	0.9
121.02866	0.7
121.06524	0.2
122.06051	1.2
123.04403	0.2
127.03916	9.8
129.01814	0.7
130.08649	0.4
137.02328	2.7
137.05917	0.2
138.05486	1.0
140.07088	1.2
144.04466	0.2
145.04951	4.0
146.06010	0.4
147.02852	0.5
147.04370	0.3
149.02296	0.3
152.07059	2.2
153.01840	3.1
153.07845	0.2
154.08646	0.4
155.08266	0.2
159.02878	3.0
161.06036	0.3
163.03914	0.7
164.07074	0.2
165.01871	1.6
166.02716	0.2
166.08640	0.7
167.05809	0.3
167.07047	0.2
172.03938	0.8
173.06009	0.3
174.05521	0.6
177.05417	0.4
182.08124	5.5
183.02885	0.6
183.04361	0.4
187.03920	0.2
191.03366	0.2
191.05814	0.2
194.08133	2.3
200.09131	0.9
201.05473	1.3
204.06548	1.7
206.08090	0.6
212.09207	1.9
213.03845	0.3
229.04962	3.8
231.04979	1.2
245.04539	0.2
246.05231	0.3
247.05884	0.5
257.04422	2.5
259.10773	0.4
265.09686	0.3
274.04684	0.7
275.05508	0.3
283.10776	0.3
285.03961	1.6
286.04785	0.3
295.10675	0.2
297.12415	0.2
299.10095	0.3
301.11792	0.4
302.04196	1.0
303.04987	100.0
304.05316	2.1
313.11972	0.9
319.12866	0.6
323.10550	0.2
324.10941	0.3
327.05026	0.8
331.12808	0.3
333.14423	0.6
341.11087	0.3
345.05991	2.4
345.14502	0.7
356.13760	0.4
369.06143	0.4
371.12277	0.2
372.55939	0.2
378.10989	0.2
447.09457	0.3
465.10327	11.5
466.10361	0.4
470.19821	0.2
482.18954	0.6
496.20840	0.7
639.49823	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	713.1554
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03944	1.4
55.01870	1.3
57.03429	0.7
57.03664	0.1
61.02929	0.8
66.54376	0.1
67.19290	0.1
68.99783	0.7
69.03425	5.1
70.06583	0.4
70.10940	0.4
70.11344	0.3
71.01370	0.2
71.04980	0.6
72.08134	0.1
73.02901	1.1
81.03411	5.7
83.01389	0.2
84.08098	0.2
85.02901	8.4
87.00828	3.9
87.04453	0.1
90.94495	0.1
91.03959	0.3
91.05494	0.2
93.03378	0.2
93.07037	0.1
95.04966	0.2
97.02892	2.9
99.04451	2.0
105.01850	2.3
109.02872	5.2
111.00793	0.8
111.04430	0.1
111.67520	0.1
113.32540	0.1
115.03925	0.2
117.01835	0.7
121.02868	0.9
123.04438	0.3
127.03912	7.6
129.01805	0.7
131.04932	0.3
135.04442	0.1
137.01352	0.2
137.02332	2.8
145.04947	1.9
145.06062	0.2
145.06613	0.1
147.02878	0.5
147.04376	0.2
149.02333	0.4
153.01820	3.1
155.04836	0.2
156.55472	0.1
157.06647	0.1
159.02892	2.9
161.05966	0.2
163.03909	0.6
165.01816	1.8
166.02602	0.2
173.05986	0.3
174.15433	0.1
177.05440	0.2
179.31532	0.1
183.02971	0.7
183.04341	0.2
187.03964	0.2
195.02902	0.3
195.60989	0.1
201.05453	1.5
205.04848	0.2
211.03868	0.1
213.03871	0.3
219.06548	0.3
228.04163	0.2
229.04961	3.8
231.04974	1.4
239.03392	0.2
247.06044	0.9
257.04437	2.7
267.99570	0.1
274.04706	0.8
275.05487	0.3
285.03961	1.3
286.04721	0.1
303.04965	100.0
304.05331	1.8
327.05029	0.2
340.21603	0.1
345.06021	1.0
398.65320	0.2
426.61365	0.1
465.10275	9.1
466.10144	0.2
551.09760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	16.3
54.20299	10.6
55.05500	33.1
56.70863	12.3
57.03437	23.0
61.02916	24.1
67.05492	85.7
69.03409	28.3
69.07060	33.5
70.06605	16.5
70.24062	22.1
70.24458	26.7
71.04974	17.8
79.05495	78.0
81.03370	11.7
81.07066	86.5
83.04953	22.3
83.08592	18.3
85.02883	39.5
85.06545	15.2
86.09698	25.1
91.03957	11.6
91.05489	71.1
93.07043	100.0
95.04963	27.2
95.08604	38.6
97.02876	26.4
105.07020	55.6
107.08574	36.7
109.10148	29.7
109.64783	12.0
117.07017	21.3
119.08572	41.8
121.10126	47.5
129.06979	13.7
131.08601	21.0
133.10118	49.3
135.11671	29.3
136.06172	12.7
136.09496	11.6
145.10126	17.5
147.11703	18.2
149.13222	15.3
159.11629	27.8
161.13269	15.5
174.09148	34.6
184.07352	37.5
185.13329	15.1
207.06450	11.2
227.63744	12.0
229.14369	14.1
244.83142	12.1
250.12158	11.7
250.14401	63.2
259.20633	36.3
269.17545	16.4
300.19348	12.4
315.99142	11.7
324.18060	80.0
351.25281	83.9
385.19943	12.9
423.26654	11.2
475.66382	14.6
494.27405	18.9
512.28406	29.3
522.00049	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	710.396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99490	3.0
55.05509	25.2
55.22068	3.3
57.03437	28.1
58.06660	3.5
59.80441	3.3
61.02926	17.3
67.05499	76.0
69.03426	10.4
69.07056	15.2
69.25929	3.4
69.59765	8.3
69.60171	19.3
70.06589	4.5
71.04985	11.8
73.02917	7.4
79.05494	65.8
81.03402	12.5
81.06586	5.3
81.07060	98.5
83.04967	9.5
83.08604	14.0
85.02918	25.9
85.06535	6.0
86.09692	13.8
91.03938	9.5
91.05485	42.1
93.07041	87.5
95.04954	15.1
95.08608	45.9
97.02898	18.3
97.06511	8.5
97.10164	4.2
99.08104	4.8
103.62170	3.3
105.07028	45.7
107.08591	45.6
109.06510	7.4
109.10165	20.5
111.04443	5.7
111.08083	4.3
117.07030	16.9
119.07925	3.9
119.08588	44.0
120.04447	7.8
121.10154	40.2
123.08057	4.9
123.11668	10.6
124.99981	7.2
127.03912	11.9
129.06989	7.3
131.08562	19.0
132.25198	3.7
133.10127	28.8
135.08069	4.0
135.11707	25.6
136.06221	7.6
143.08589	9.0
145.10114	19.2
146.06033	7.4
147.11678	25.1
149.09621	7.3
149.13249	16.6
157.10110	7.9
159.11696	22.2
161.13263	11.0
163.11171	3.8
163.14880	4.2
171.11633	6.3
172.19147	3.4
173.13214	8.2
174.09190	18.5
175.14890	4.8
177.12784	6.2
184.07321	43.2
185.13152	7.7
187.14816	8.4
192.10196	4.2
195.13834	4.6
226.01561	3.9
229.14354	10.9
230.07944	4.0
241.19568	11.9
259.20569	32.6
266.10110	4.0
267.15955	5.6
269.17465	15.4
277.21591	23.9
285.16928	6.0
295.15549	6.7
312.57257	3.6
351.21103	6.3
351.25287	100.0
406.34488	4.3
431.56204	3.7
437.28958	6.6
463.30222	10.3
469.32083	5.7
481.31580	4.8
513.30389	11.8
710.40765	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	709.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
54.57653	0.2
55.01864	0.3
55.05516	1.2
57.03435	0.4
57.07070	0.3
65.03949	0.2
67.05502	4.7
68.99785	0.6
69.03430	0.9
69.07066	1.2
70.67258	0.4
70.67617	0.3
71.04991	0.3
71.08629	0.2
75.01582	0.2
75.45330	0.2
79.05062	0.3
79.05494	4.0
79.05957	0.2
81.03419	1.3
81.07051	4.7
83.04987	0.3
83.08610	0.3
85.02903	1.0
91.05473	3.0
93.07041	5.1
95.05000	0.8
95.05520	0.2
95.07994	0.2
95.08603	3.3
97.02892	0.7
97.06501	0.3
97.10135	0.3
98.98433	0.2
105.03403	0.4
105.07030	2.2
105.68553	0.2
107.04935	0.7
107.08576	2.0
109.02876	0.5
109.06499	0.2
109.10137	1.3
111.00807	0.9
111.04440	0.3
117.07021	1.2
119.08575	1.6
121.02859	2.8
121.10138	2.0
123.11684	0.3
125.09620	0.2
127.03902	0.5
129.07034	0.4
131.08565	1.6
133.02847	0.6
133.10118	1.1
135.08110	0.2
135.11700	1.3
137.02351	1.0
137.13184	0.2
143.08582	0.2
145.06491	0.4
145.10077	1.0
147.04375	0.8
147.11684	0.8
149.13280	0.8
152.50735	0.2
153.01828	4.4
157.06473	0.5
157.10104	0.3
159.11659	0.9
161.05975	0.3
161.13246	0.8
163.14825	0.2
165.01831	1.8
169.10216	0.2
171.04407	0.3
173.13268	0.8
183.02881	0.8
184.07375	0.4
185.06015	0.5
185.13286	0.2
187.14809	0.3
213.05444	1.3
231.06537	0.9
241.04826	0.9
243.20938	0.2
258.05200	1.1
259.06030	0.6
259.20520	0.2
260.89020	0.2
261.22159	1.4
287.05484	100.0
288.05844	1.9
291.19269	0.2
329.06500	0.4
353.06549	0.2
369.24152	0.3
380.26950	0.2
395.07654	0.3
516.74908	0.2
574.43573	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	709.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.4
51.10711	0.4
53.00294	0.4
53.03937	1.0
54.73164	0.3
55.01853	0.8
55.05503	0.4
56.63651	0.4
57.03431	0.6
61.76043	0.3
65.03923	1.6
67.05492	0.9
67.70762	0.4
69.03433	2.0
69.07040	0.6
69.31250	1.3
69.31675	2.7
70.06576	1.0
70.46970	0.3
71.04967	0.5
73.02916	0.7
77.03936	0.6
79.05483	1.8
81.02988	0.5
81.03413	5.7
81.07042	1.7
83.04954	0.5
84.08133	1.2
85.02896	2.5
86.09693	0.5
89.03907	0.9
91.05476	21.5
93.07037	1.6
93.15475	0.4
94.04164	1.4
95.04948	1.5
95.08598	0.8
97.02870	1.6
99.04401	0.4
103.05451	1.7
105.03403	0.6
105.07030	3.8
107.04929	1.5
107.08610	0.5
109.02853	1.2
109.06439	0.9
109.10155	0.5
110.07217	0.4
111.04398	0.5
115.05456	2.0
116.06242	0.4
117.03353	0.7
117.06973	0.7
118.04137	0.6
118.36638	0.4
119.04935	27.6
119.08579	1.8
120.05290	0.5
120.08118	0.5
121.02820	0.6
121.06475	0.6
121.10158	0.8
122.03635	3.5
123.04400	0.6
123.08035	0.5
127.03931	0.9
128.06244	0.6
129.06972	1.1
129.10233	0.5
131.04922	1.8
131.08603	0.7
132.02063	1.0
132.05681	1.1
133.02795	0.4
133.06465	2.3
135.04427	0.5
136.05165	0.5
136.06129	0.5
136.07512	0.4
137.05969	40.7
144.05626	0.4
145.02805	1.8
145.06454	0.7
145.10072	0.5
146.03639	0.8
147.04404	25.9
147.07999	1.6
149.02338	1.0
149.05923	1.1
149.09610	0.5
151.03879	0.5
151.07530	0.9
155.04836	0.6
157.03935	1.6
157.06436	0.5
159.08072	1.3
160.05228	1.1
161.05980	6.3
163.07535	1.2
164.04591	0.7
167.06978	0.8
171.07950	0.5
172.05098	0.5
175.03900	43.4
175.07506	12.1
176.04385	0.8
177.05464	3.3
179.06990	2.8
181.04999	0.6
184.05196	0.5
184.16914	0.7
187.07509	3.8
189.06886	0.6
189.09036	0.6
190.07779	1.1
191.07193	0.4
191.08611	3.5
192.04190	1.2
199.07513	3.1
202.07726	1.7
203.08571	3.7
207.06516	100.0
208.06941	1.9
208.08620	0.4
215.08507	0.4
217.08553	0.6
218.07240	1.2
219.05896	0.6
219.08011	5.2
220.08780	0.9
225.07407	0.8
229.14227	0.4
231.08020	3.5
236.08353	1.0
237.09056	0.4
241.01056	0.4
247.07547	2.1
248.08284	2.6
251.10635	5.9
259.07510	2.5
260.08301	1.2
261.09039	0.7
263.07101	0.4
263.10666	1.9
264.07806	0.9
265.08557	0.7
267.15848	0.6
272.20255	0.4
275.06973	0.5
276.07785	1.6
277.08563	1.5
279.10190	4.6
280.10880	0.4
290.09445	0.5
291.10120	4.5
292.07550	0.4
292.10825	0.9
293.08102	0.9
295.13361	0.6
296.10416	0.8
302.04047	0.4
303.05035	1.3
307.09433	0.7
308.10251	1.1
311.12738	10.9
313.10718	0.4
315.04895	0.6
320.54044	0.4
322.11908	0.9
323.12711	7.2
325.14172	0.7
351.10739	7.3
367.12405	0.4
369.11761	2.2
461.72110	0.4
653.48169	0.4
693.46985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83879	0.4
52.79126	0.4
53.03936	0.8
53.69341	0.4
55.01862	0.9
55.05507	0.7
57.03422	0.7
62.56323	0.4
65.03928	1.5
67.05487	0.9
69.03416	1.6
69.31168	2.0
69.31606	2.1
70.06569	0.7
71.04995	0.5
73.02917	0.7
77.03914	0.4
79.05475	1.3
81.03419	5.0
81.07043	1.8
83.04948	0.5
84.08112	0.5
85.02906	1.9
86.09679	0.5
89.03909	1.0
91.05481	22.0
92.05854	0.5
93.07040	1.2
94.04182	1.5
95.04955	0.8
97.02892	1.2
99.04454	0.5
103.05467	1.0
105.07037	3.0
107.04916	0.9
107.08598	1.1
109.02852	1.6
109.06490	0.9
115.05460	2.2
117.03395	1.3
117.07001	0.9
118.04131	0.5
119.04943	24.9
119.08569	1.6
121.06453	0.5
121.10168	0.8
122.03645	3.2
123.04397	0.6
127.03913	0.6
128.06216	1.2
129.06960	1.1
131.04936	1.1
132.02069	1.4
132.05687	1.2
133.06487	2.3
135.04390	0.9
136.05177	0.9
136.06212	0.4
137.05977	38.4
138.06291	0.7
139.03876	0.4
145.02826	2.7
145.06473	0.9
146.03603	0.6
147.04410	25.9
147.08061	1.6
148.04749	0.6
149.02365	1.2
149.05975	1.0
151.03928	0.4
157.03934	2.0
159.08002	1.1
160.05188	0.9
161.06000	6.7
163.07536	1.1
164.04739	0.8
167.07065	2.2
172.05176	0.9
175.03908	42.6
175.07513	11.8
176.04137	0.5
177.05463	4.4
179.07036	2.0
184.05223	0.5
187.07545	3.4
190.07736	1.4
191.08519	3.1
192.04256	0.6
193.08650	0.5
199.07552	3.0
202.07803	1.4
203.08522	2.6
205.06589	0.8
207.06525	100.0
208.06880	1.4
218.07292	1.1
219.08078	5.3
219.10092	0.8
220.08769	1.6
225.07587	0.8
230.07230	0.5
231.07994	3.3
232.08780	0.9
233.09468	0.5
235.07439	0.9
236.08307	1.1
246.06888	0.6
247.07509	2.7
248.08235	1.7
249.09062	0.8
251.10648	5.8
259.07495	1.9
260.08212	1.2
261.09085	0.7
263.07013	0.5
263.10684	1.8
264.07767	0.5
265.08810	0.4
275.06857	0.6
276.07770	1.2
277.08582	0.9
279.10117	3.2
280.10925	0.6
281.08206	0.4
291.10162	5.3
292.10898	1.3
293.07999	0.7
295.12845	0.4
303.04965	1.4
307.09784	0.5
308.10220	1.1
310.11978	0.5
311.12759	9.6
311.16223	0.7
312.13461	0.4
322.11908	0.6
323.12714	6.1
325.14511	0.6
341.13885	1.3
351.10754	7.2
369.11859	2.3
709.40613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01863	5.0
55.05500	6.8
57.03437	21.2
57.56433	2.2
61.02914	4.4
62.72300	2.3
67.05505	24.8
69.03429	8.8
69.07062	2.6
70.06591	14.7
70.46796	2.1
71.04970	2.9
72.04536	3.7
72.08148	4.1
73.02892	5.8
79.05486	15.8
81.03401	6.9
81.07061	17.2
82.13512	2.6
83.04967	4.8
84.04496	8.0
84.08136	7.9
85.02884	12.6
85.06549	16.3
86.09720	7.0
91.05484	18.8
93.07033	15.5
95.04972	34.7
95.08607	11.6
97.02899	8.6
97.06521	4.5
98.21609	4.8
105.07010	16.5
107.04948	7.0
107.08600	11.7
109.02893	2.7
109.06521	27.5
109.10139	4.6
111.04351	2.4
113.06005	37.9
117.07025	5.0
119.04959	3.5
119.08575	8.7
120.04464	12.6
121.06499	3.4
121.10128	9.4
123.08093	3.7
126.05510	5.6
127.03916	4.7
129.07030	3.2
129.10272	3.3
131.08578	8.9
132.96085	2.7
133.10124	3.7
135.08060	25.0
135.11673	6.6
136.06050	3.7
137.05977	4.6
137.09534	2.5
138.05486	12.1
143.08511	3.0
145.10132	8.3
147.04443	5.2
147.08092	4.6
147.11568	3.8
159.11691	4.1
161.09584	5.8
162.07634	4.1
165.09068	3.6
175.03836	3.3
175.57903	2.5
177.05409	8.0
184.07309	3.9
190.92314	2.5
204.08627	4.9
207.06554	6.8
217.15923	7.4
229.71077	2.4
241.41811	3.0
273.18433	16.5
291.19580	44.4
307.18671	3.4
320.76492	2.6
321.07031	3.2
347.22314	6.0
365.23212	100.0
366.23242	3.5
527.28345	3.4
671.05176	2.8
705.60846	2.6
707.40356	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	707.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01847	0.4
55.05478	0.5
57.03398	0.6
60.04495	0.2
61.02898	0.1
65.03920	0.2
67.05461	0.2
68.99771	0.2
69.03402	0.4
69.07036	0.2
70.06597	1.2
70.74035	0.4
71.04992	3.1
72.04495	0.2
72.08118	0.5
74.06055	0.1
79.05496	1.8
81.03382	0.6
81.07056	4.5
83.04958	0.3
84.04469	0.5
84.08115	0.6
85.01122	0.2
85.02908	2.9
86.09686	0.3
91.05444	0.6
91.81315	0.1
93.07015	0.4
95.04919	0.4
95.08585	0.3
97.02907	0.7
101.07112	0.1
104.10725	0.1
105.06994	0.3
107.04895	0.2
107.08562	0.1
108.04421	0.1
109.02843	0.3
110.07113	0.1
113.04182	0.2
117.03372	0.2
119.04926	0.3
119.08575	0.3
120.04383	0.1
120.08063	0.3
121.02863	0.7
123.04421	0.3
127.03874	0.4
127.07462	0.2
129.05443	0.6
129.06931	0.1
129.10219	0.3
130.06813	0.4
130.08661	0.2
131.04933	0.3
131.35901	0.1
136.07617	0.2
137.02338	4.9
137.03336	0.2
137.05904	0.3
138.05478	0.3
139.03888	0.2
141.01816	1.4
145.02808	0.5
147.04388	0.5
147.07997	0.2
149.02318	0.3
149.05922	0.1
151.03926	0.3
153.05559	0.1
159.08159	0.1
161.05893	0.2
162.07553	0.3
163.03873	1.4
164.04659	0.4
165.01830	1.0
167.07013	0.2
175.03879	0.4
177.05424	0.6
179.03419	0.2
183.02892	1.5
185.06020	0.2
187.03802	0.2
189.05460	0.2
189.09140	0.2
191.03348	1.0
193.68404	0.2
203.03378	0.5
203.38321	0.1
207.06496	0.5
213.05493	0.5
214.76944	0.1
215.07199	0.2
217.04907	0.6
221.05841	0.1
229.04805	0.2
231.06342	0.1
233.04469	0.2
239.07030	0.5
241.04887	0.8
257.08051	0.2
259.06036	0.5
259.10922	0.2
267.06607	0.8
269.04474	0.2
271.05988	0.2
285.07620	0.3
287.05457	0.6
295.06039	0.8
299.05533	1.0
301.11963	0.2
303.04959	1.8
311.05563	0.2
312.06354	0.2
313.06961	1.2
315.04965	71.5
316.05280	1.1
323.05518	0.3
327.04977	1.2
327.08435	0.2
329.06497	2.8
333.14655	0.2
337.10883	0.2
339.04941	0.9
340.05725	0.4
341.06546	15.8
342.06827	0.2
353.06635	0.3
354.07248	0.5
355.08093	0.2
365.10223	0.9
367.11844	0.7
383.11230	100.0
384.11490	1.3
399.10742	0.2
500.52582	0.2
513.94781	0.2
529.17072	1.0
707.37170	0.5
711.70477	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	707.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36116	0.5
55.92019	0.4
61.58310	0.4
63.78360	0.4
66.87209	0.4
70.27803	0.9
70.28194	1.0
76.73863	0.4
76.80234	0.4
80.52911	0.4
81.86054	0.4
82.99892	1.3
85.46428	0.4
97.02875	0.4
101.00848	2.4
109.02872	0.5
113.00896	0.5
119.01917	11.9
127.02447	0.6
131.01945	2.9
134.90677	0.5
137.02005	0.5
137.02853	2.0
139.02414	0.5
143.01891	10.1
145.03467	6.6
147.01376	1.2
149.02939	0.9
155.01875	6.7
157.03452	3.5
161.02957	17.8
163.04501	0.9
167.01884	3.3
169.03447	1.4
171.05038	2.4
173.02951	16.5
174.03209	0.4
175.04489	1.5
179.01878	1.2
184.04587	0.9
185.02953	33.2
186.03085	0.8
187.04555	2.9
191.04088	1.0
197.02954	11.7
199.04472	0.9
203.04004	11.9
208.04558	0.5
209.02980	1.2
215.03984	9.0
221.05040	1.4
224.84349	0.4
226.05632	0.4
227.04022	6.5
239.04070	1.0
245.05063	100.0
246.05435	2.6
246.07582	0.3
253.93407	0.4
257.05087	5.3
263.06128	15.7
275.06091	11.6
276.06467	0.5
286.07684	1.1
293.07166	3.6
305.07175	10.8
317.07144	0.6
335.08200	4.1
347.07959	0.9
365.09286	43.4
366.09540	1.7
383.10330	7.0
401.11353	0.7
406.11850	0.9
425.11401	32.2
426.11783	0.9
437.11426	2.1
455.12463	1.3
707.18298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26716	0.6
71.27879	0.8
71.28227	1.2
82.99862	1.1
84.08109	0.6
85.16564	0.5
90.81413	0.6
97.02936	0.7
101.00874	2.3
109.02901	0.9
119.01922	13.0
127.02428	0.7
131.01874	4.2
135.65276	0.6
137.02950	2.2
139.03899	1.3
143.01892	11.7
145.03456	7.4
149.02980	1.1
155.01875	6.8
157.03462	5.0
161.02953	21.5
163.04482	2.1
167.01865	4.4
169.03442	2.9
171.05014	2.6
173.02953	18.1
175.04518	2.1
177.05661	0.6
179.01868	1.6
181.03357	0.6
185.02954	38.6
187.04559	3.7
189.06010	0.8
191.03897	1.1
194.60368	0.7
197.02957	14.4
199.04362	0.6
200.69363	0.6
203.04007	11.0
208.04631	0.7
209.02925	1.2
215.04031	10.4
221.05049	0.9
227.04018	6.6
239.03972	1.4
245.05070	100.0
246.05342	1.7
257.05078	5.4
263.06131	15.0
264.07068	0.5
275.06094	9.8
283.06421	0.6
283.56891	0.8
286.07654	1.0
293.07196	3.2
299.60120	0.6
305.07162	12.0
335.08179	4.8
347.08282	1.3
365.09302	45.2
366.09506	0.7
383.10434	4.7
406.11862	1.2
407.10474	0.8
425.11417	31.8
426.11649	0.9
437.11334	2.2
455.12671	1.2
473.45782	0.6
650.39954	0.7
652.78253	0.6
652.98627	0.6
707.18469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38041	0.5
55.01862	0.8
61.41540	0.6
65.03935	0.9
67.01873	0.5
68.99795	1.4
70.06593	2.0
71.57372	1.1
80.13651	0.4
83.04985	0.5
84.04507	0.7
84.08135	1.6
85.02892	0.7
86.09726	0.7
95.04922	0.9
97.02907	0.9
105.01745	0.5
111.04421	2.9
123.04424	10.4
129.10262	0.8
131.82164	0.5
135.04407	8.6
136.34198	0.6
137.02217	0.6
139.03900	100.0
147.04427	2.8
151.03894	5.6
163.03918	10.2
165.05461	1.1
169.06400	0.7
173.05971	0.7
175.03960	0.6
175.06224	0.5
177.05490	1.6
179.03415	4.3
181.06442	1.2
185.06056	0.6
187.03947	1.6
189.05515	1.4
197.05974	0.8
199.07562	0.9
201.05469	1.1
203.03328	1.0
207.06595	0.7
209.06001	1.2
213.05507	1.5
215.03465	0.6
217.04996	1.0
227.07085	1.3
229.04973	1.9
237.05495	1.0
241.04869	0.8
242.45605	0.6
245.04425	2.1
255.06535	4.3
257.04559	0.7
259.06061	1.3
265.04819	0.8
269.04413	1.0
271.06143	1.1
273.07516	1.1
283.06018	14.3
283.09045	1.0
287.05579	2.9
291.08640	10.8
299.05478	2.7
301.07068	28.9
303.08548	1.8
311.05475	0.9
322.84406	0.6
421.09073	3.6
433.08829	0.7
439.10135	5.9
591.14795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38041	0.5
55.01862	0.8
61.41540	0.6
65.03935	0.9
67.01873	0.5
68.99795	1.4
70.06593	2.0
71.57372	1.1
80.13651	0.4
83.04985	0.5
84.04507	0.7
84.08135	1.6
85.02892	0.7
86.09726	0.7
95.04922	0.9
97.02907	0.9
105.01745	0.5
111.04421	2.9
123.04424	10.4
129.10262	0.8
131.82164	0.5
135.04407	8.6
136.34198	0.6
137.02217	0.6
139.03900	100.0
147.04427	2.8
151.03894	5.6
163.03918	10.2
165.05461	1.1
169.06400	0.7
173.05971	0.7
175.03960	0.6
175.06224	0.5
177.05490	1.6
179.03415	4.3
181.06442	1.2
185.06056	0.6
187.03947	1.6
189.05515	1.4
197.05974	0.8
199.07562	0.9
201.05469	1.1
203.03328	1.0
207.06595	0.7
209.06001	1.2
213.05507	1.5
215.03465	0.6
217.04996	1.0
227.07085	1.3
229.04973	1.9
237.05495	1.0
241.04869	0.8
242.45605	0.6
245.04425	2.1
255.06535	4.3
257.04559	0.7
259.06061	1.3
265.04819	0.8
269.04413	1.0
271.06143	1.1
273.07516	1.1
283.06018	14.3
283.09045	1.0
287.05579	2.9
291.08640	10.8
299.05478	2.7
301.07068	28.9
303.08548	1.8
311.05475	0.9
322.84406	0.6
421.09073	3.6
433.08829	0.7
439.10135	5.9
591.14795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.8
53.03938	11.2
55.05506	24.9
57.03419	6.5
63.11629	2.6
65.01410	2.3
65.03936	7.0
67.05504	90.3
69.03427	27.3
69.07069	15.8
69.42116	23.7
71.04989	54.5
79.05491	71.8
81.03413	46.3
81.07053	100.0
83.04977	13.7
83.08616	10.1
85.02874	5.9
85.06513	6.0
91.05476	58.2
93.06471	4.9
93.07040	67.3
95.04959	18.7
95.08607	37.4
97.02885	14.1
97.06536	10.0
99.04457	7.9
99.08105	2.6
105.04498	3.6
105.07025	37.0
107.04939	4.5
107.08595	34.9
109.02865	12.2
109.06510	4.6
109.10150	16.0
111.04449	3.9
111.08095	4.6
117.07011	13.2
119.08567	16.5
121.06500	3.5
121.10147	22.9
123.11693	10.4
127.03909	7.5
129.06946	5.1
131.08565	19.1
133.10129	25.4
135.11739	12.5
143.08542	6.6
145.10107	8.0
147.11671	6.3
149.13206	15.6
151.07556	3.0
151.11179	10.2
157.10173	4.3
159.11694	16.6
161.13255	3.5
171.11688	2.8
173.04469	9.6
173.13254	7.2
175.11148	2.9
177.12776	7.4
179.14299	2.4
183.13799	9.6
186.11583	2.7
187.13287	15.2
193.12111	2.4
195.13802	6.1
213.58412	2.3
222.05209	2.7
257.17365	4.4
261.22021	5.3
332.30511	2.3
335.25803	5.9
339.18011	10.4
349.27594	3.6
369.23965	3.0
395.20624	2.7
461.28375	4.5
503.37222	5.5
517.38910	10.8
529.39203	4.3
561.41541	4.9
637.41107	3.1
673.42908	6.6
705.34698	3.6
705.45880	51.2
706.31403	4.9
706.44910	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	705.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.6
55.01872	15.4
55.05510	34.4
57.03445	15.4
57.07057	3.4
57.46932	2.3
61.02914	8.0
61.44233	3.1
65.03932	4.9
67.05501	90.5
69.03423	25.9
69.07070	30.4
69.67020	10.3
69.67426	5.9
71.04982	9.3
73.02891	3.0
78.02197	2.4
79.05494	68.8
81.02985	3.3
81.03421	46.2
81.07056	100.0
83.04997	18.4
83.08626	25.4
85.02916	15.4
85.06532	6.2
91.05482	62.1
93.07041	64.0
95.01337	3.1
95.04976	22.4
95.08607	52.4
97.02892	19.7
97.06519	23.1
97.10164	11.5
98.20737	4.1
99.04448	7.1
99.08072	3.7
103.05477	2.9
105.07030	53.7
107.04971	16.2
107.08600	39.5
109.02916	11.7
109.06512	9.9
109.10162	24.1
111.04420	5.6
111.08052	4.6
113.09625	3.2
115.05462	5.3
117.07012	28.0
119.08575	40.0
121.06506	9.9
121.10134	26.4
123.04523	2.9
123.08038	6.5
123.11698	9.7
125.09624	6.5
127.03922	14.6
127.07657	2.3
128.06210	5.0
129.05496	3.4
129.07037	12.2
131.04878	3.2
131.08565	31.3
133.06438	5.3
133.10124	35.3
135.08064	7.7
135.11674	10.8
137.09605	5.5
141.06956	5.1
142.07805	3.8
143.08566	10.8
145.06467	6.3
145.10141	23.7
147.07997	3.5
147.11681	22.0
149.09647	16.6
149.13229	15.7
151.11180	6.6
155.08540	10.4
157.10104	11.5
159.08028	4.4
159.11678	19.3
161.09656	6.1
161.13303	6.1
163.11208	7.5
165.12785	4.4
167.08556	4.4
169.10127	11.2
171.08083	2.6
171.10269	2.6
171.11661	9.8
173.04445	9.3
173.09595	5.5
173.13258	5.0
175.11241	4.4
175.14783	2.8
177.12682	8.4
179.08537	3.8
179.14230	3.8
181.10173	3.5
183.11688	5.6
185.13286	5.2
187.11214	3.8
189.11240	6.0
189.12839	3.2
195.11847	4.7
195.13808	6.8
197.13272	5.9
199.11337	2.4
202.15907	4.3
203.16219	3.5
205.40788	2.3
209.13243	3.5
227.12755	6.9
239.17908	3.1
247.20534	3.1
257.18997	9.4
258.42038	2.9
259.20490	4.3
260.39590	2.6
267.15961	6.2
269.17487	13.4
275.20084	47.5
287.19635	2.2
291.19437	3.0
293.21216	3.8
300.13617	4.0
301.13672	4.0
301.21695	2.5
338.16290	2.8
339.18103	2.7
349.23792	16.8
413.21799	8.9
431.27823	2.9
433.31165	3.9
451.32062	5.7
463.30301	3.4
469.33380	2.9
515.37054	4.4
525.35687	15.5
543.36871	45.8
544.36505	3.2
561.37592	4.5
585.37555	2.9
669.39667	3.7
670.24463	3.0
687.40692	13.8
705.42023	19.1
724.50134	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	3.4
53.03943	14.0
55.01873	20.2
55.05505	46.2
57.03436	14.5
57.07077	3.3
61.02919	4.8
61.15234	1.8
63.67212	1.8
65.03935	3.6
67.05502	97.6
69.03429	32.4
69.07065	38.6
71.04993	11.3
71.58267	2.9
73.02892	2.5
78.96374	1.9
79.05489	74.5
81.03416	59.6
81.07051	100.0
83.04974	26.0
83.08614	22.2
85.02905	14.7
85.06541	6.0
85.60076	2.1
91.05478	67.3
93.07042	71.5
95.01328	2.9
95.04973	19.7
95.08606	47.1
97.02887	21.1
97.06521	27.9
97.10161	14.9
99.04457	7.6
99.08090	5.1
103.05430	2.9
105.07028	56.4
107.04948	18.2
107.08595	48.7
109.02872	14.4
109.06548	11.2
109.10149	24.3
111.04453	8.5
111.08077	6.7
113.05992	2.2
113.09643	2.0
115.05457	2.7
117.07008	23.4
119.08584	40.5
121.06500	9.7
121.10129	28.8
123.07244	2.1
123.08039	9.7
123.11701	10.1
125.09633	13.6
127.03896	11.7
128.06239	5.6
129.05466	6.2
129.06972	14.9
130.07813	2.4
131.04927	2.8
131.08554	36.9
133.06499	4.8
133.10127	29.3
135.08061	11.3
135.11694	17.8
137.09599	5.7
139.11160	3.3
141.06975	8.4
142.07773	4.7
143.08548	16.3
145.05157	2.2
145.06499	5.9
145.10107	25.0
147.08058	5.3
147.11688	21.7
149.09627	21.5
149.13234	12.7
151.11197	4.6
155.08553	8.8
156.09448	2.3
157.06544	2.3
157.10132	15.7
159.08052	4.8
159.11685	26.9
161.09583	5.4
161.13271	7.6
163.11183	8.1
165.12804	3.2
167.08559	3.8
169.10092	10.1
171.11673	13.5
173.04425	9.6
173.05821	2.1
173.09569	5.7
173.11859	3.3
173.13112	10.7
175.11203	4.1
175.14839	3.0
177.12767	5.3
179.14340	5.3
181.10130	4.0
183.11711	10.5
185.13289	8.7
187.11160	6.5
187.14705	4.0
187.17758	2.0
189.11186	5.3
189.12709	2.9
191.14355	2.7
193.10164	2.9
193.12210	2.9
195.11719	6.0
195.13824	10.4
197.09595	1.9
197.13242	8.5
199.11334	2.4
199.14810	4.3
201.12762	4.2
201.16507	2.3
203.10884	2.2
205.12206	2.9
207.11850	2.1
211.14825	3.7
225.16306	2.1
227.12778	7.9
229.19453	2.9
230.05687	1.9
239.17905	5.6
247.20532	4.0
257.18958	9.9
259.20581	2.3
269.17502	16.5
271.20578	2.8
273.18610	2.7
275.20068	50.6
279.15866	3.9
291.19669	2.9
293.21085	6.3
301.21771	4.5
339.18188	4.9
349.23611	22.5
395.20673	3.0
413.21838	9.5
419.24103	2.2
423.27362	4.6
423.32806	3.3
433.30951	6.1
451.32059	10.8
469.33112	7.2
515.37292	5.3
525.35828	16.6
543.36823	52.9
544.37048	2.6
561.37823	4.7
595.35449	2.2
651.38507	2.9
669.39935	5.8
687.40881	18.7
705.42059	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	703.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.9
53.03938	14.0
55.01862	7.5
55.05506	32.9
56.26174	2.2
57.03439	18.4
65.03925	7.1
67.05502	100.0
69.03430	33.3
69.07071	25.3
71.04985	9.3
71.08636	3.1
71.23323	2.2
79.05489	93.6
81.03414	52.2
81.07053	85.4
83.04973	21.3
83.08609	16.5
85.02900	18.4
85.06543	5.5
85.10188	2.8
89.06014	3.0
91.05482	81.4
93.07037	97.9
95.01356	2.4
95.04959	29.4
95.08602	63.0
97.02889	14.2
97.06529	8.1
97.10185	3.2
99.04468	7.2
103.05468	3.2
105.04549	4.6
105.07021	56.1
107.04953	12.8
107.08594	41.0
109.02876	5.8
109.06541	7.0
109.10146	21.9
111.04463	3.0
111.08088	4.2
115.05479	6.3
117.07014	25.0
119.08583	38.5
120.00576	2.2
121.06511	4.1
121.10146	24.2
123.04415	4.1
123.08060	4.9
123.11724	4.7
125.09646	3.4
127.03906	7.9
128.06200	6.8
129.05482	5.4
129.06990	26.3
131.04921	3.5
131.08553	27.4
133.06487	9.8
133.10126	19.4
135.08035	4.5
135.11642	13.7
137.09674	2.9
141.06987	5.3
143.08554	18.4
145.06496	9.4
145.10106	22.2
147.08052	8.1
147.11684	25.7
149.09583	2.5
149.13240	6.6
155.08557	5.0
157.06465	3.2
157.10127	8.6
159.08035	4.3
159.11729	10.0
161.09637	5.6
161.13290	12.5
165.06892	2.7
167.08545	5.9
169.10135	5.3
171.08060	2.9
171.11667	20.9
173.04532	8.2
173.13249	7.1
175.14949	2.6
179.08636	2.2
179.10468	2.4
179.14388	2.9
181.10066	3.2
183.11668	4.3
184.07307	4.4
185.09621	4.7
185.13287	5.9
187.11160	2.4
187.14874	5.0
189.12796	10.2
195.11717	2.8
207.13760	16.7
209.13321	2.9
213.16333	2.3
223.14769	3.7
233.15385	4.0
241.15802	3.3
243.21176	2.8
259.16980	5.7
259.20645	3.1
261.22171	6.7
269.15390	8.3
281.17377	17.0
287.16461	16.3
307.93573	2.4
333.24396	2.8
335.25742	66.8
361.20096	5.5
425.21765	4.8
541.38855	40.7
555.40143	3.3
703.45728	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	703.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45603	4.3
53.03935	15.0
55.01871	7.7
55.05516	30.0
57.03440	9.3
58.87753	4.7
60.56131	4.4
65.03910	4.8
67.05499	97.1
69.03423	28.8
69.07067	20.4
71.04990	8.2
74.13866	4.9
75.95177	4.1
79.05489	82.6
81.03409	42.7
81.07056	100.0
83.04974	12.9
83.08621	16.7
85.02919	18.4
91.05479	62.7
93.07038	86.4
95.04975	27.1
95.08604	56.8
97.02896	7.9
97.06538	6.9
97.10173	5.3
98.21497	12.7
99.04471	6.1
105.07028	50.5
107.04947	10.9
107.08588	39.3
109.02876	5.3
109.06512	10.9
109.10167	15.2
113.00024	12.2
117.07027	21.6
119.08546	29.4
121.06490	6.4
121.10156	25.9
123.08032	10.7
127.03960	5.2
129.07005	18.9
131.08537	23.1
133.06505	4.7
133.10114	19.0
135.11714	14.3
136.06146	6.3
141.07082	6.2
143.08548	13.3
145.06505	5.3
145.10112	17.7
147.11650	25.4
149.09616	4.9
155.08580	8.4
157.10191	4.9
159.11639	7.9
161.13261	14.7
167.08560	9.0
169.10139	9.0
171.11665	20.6
173.13289	7.3
175.14772	4.5
181.10139	8.9
183.11708	5.3
185.13344	7.9
189.12823	6.5
195.11674	5.1
197.13196	5.1
207.13853	10.7
211.14731	6.4
222.57681	4.7
223.14734	7.4
225.16693	4.3
249.16350	5.3
281.17569	8.2
335.25812	38.2
354.97574	5.5
388.71423	4.5
393.94962	5.7
541.38654	30.5
591.43915	18.0
600.85406	6.3
703.45947	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.5
55.01870	11.3
55.05510	37.6
57.03419	12.3
57.07068	8.3
57.42215	3.5
65.03955	6.1
67.05505	97.9
67.39797	3.8
69.03413	7.2
69.07066	33.7
71.04988	8.6
71.30259	3.2
79.05494	81.8
79.05912	7.1
81.03414	18.0
81.07059	100.0
83.01369	5.3
83.04989	11.7
83.08607	22.5
85.02900	6.6
91.05480	69.6
93.07043	66.1
95.01340	15.5
95.04965	20.6
95.08619	52.8
97.02896	7.6
97.06526	5.7
97.10146	4.0
98.21520	9.3
103.05429	6.3
105.07028	59.5
105.07684	5.2
107.04957	8.2
107.08575	36.4
109.02885	4.1
109.06511	8.6
109.10159	30.5
111.04431	6.2
111.08075	7.5
115.05455	5.1
117.07012	46.1
119.08583	56.5
121.06521	7.2
121.10155	28.8
123.04436	6.3
123.08089	6.5
123.11710	9.5
125.09664	5.2
128.06241	14.7
129.06990	35.3
130.07764	4.5
131.04916	5.1
131.08563	59.7
133.06512	8.9
133.10120	37.3
135.04463	4.5
135.08025	5.6
135.11732	18.5
137.13200	3.8
139.03868	4.5
141.06981	14.7
142.07765	8.8
143.08568	39.6
144.09319	4.6
145.06505	10.9
145.10126	49.0
147.08063	4.9
147.11688	29.9
149.09557	4.5
149.13271	7.0
151.03891	4.3
153.06944	5.7
155.08566	31.7
156.09312	4.3
157.06488	5.4
157.10127	49.5
159.08066	10.1
159.11693	35.6
161.09630	4.4
161.13274	14.8
163.11142	6.2
165.05489	4.6
167.08583	14.4
169.10110	34.2
171.11668	30.4
173.09656	5.3
173.13312	22.6
175.14870	7.2
177.12782	5.5
179.08624	6.5
181.10152	20.6
183.11674	27.1
184.07352	4.2
185.13211	22.5
187.14836	11.6
193.10086	6.7
195.11662	14.7
197.09644	4.9
197.13214	18.4
199.14761	10.7
201.12564	4.6
207.11752	7.8
209.13277	8.4
211.14806	5.9
215.10847	5.5
221.04445	6.0
221.13304	4.2
223.11218	6.1
223.14957	6.0
225.16316	5.8
235.14870	7.7
237.16338	5.3
239.14346	4.6
243.10213	4.5
251.10617	4.8
259.20438	8.5
261.22018	10.4
268.37030	4.2
271.13409	4.3
279.79135	3.8
287.12808	8.0
291.19589	4.5
297.22076	6.3
315.12320	9.3
323.23471	5.4
325.25494	4.9
333.13327	47.4
333.24307	11.2
335.25937	25.2
370.89041	4.6
389.28284	4.1
417.31476	9.2
425.18054	7.3
435.32574	20.5
453.33771	8.9
509.36215	11.1
527.37329	87.2
528.37921	40.0
529.39185	7.7
539.31219	4.4
547.33923	4.7
557.32654	5.9
565.34900	4.8
575.33575	12.1
593.34930	25.8
611.35889	36.9
629.36945	7.0
667.38202	13.9
685.39490	42.2
703.40259	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.7
53.03941	11.2
55.01870	13.1
55.05510	43.8
55.58120	2.4
57.03440	14.1
57.07074	3.0
59.69855	2.9
65.03947	10.7
67.05501	97.5
69.03432	19.4
69.07068	31.5
69.61063	22.0
71.04975	8.7
77.03950	4.2
79.05492	82.0
81.03418	36.7
81.07058	100.0
83.01294	3.8
83.04989	17.1
83.08602	19.2
85.02910	10.8
91.04898	4.4
91.05477	78.5
93.07038	76.9
95.01344	10.9
95.04980	23.5
95.08604	49.1
97.02884	13.4
97.06518	7.8
97.10152	7.4
99.04449	3.5
103.05464	4.5
105.07022	61.6
107.04974	15.7
107.08585	41.6
109.02883	9.3
109.06535	10.1
109.10162	30.4
111.04414	6.2
111.08076	5.8
113.02337	3.7
115.05448	8.0
117.07009	39.2
119.08578	39.3
119.73689	3.0
121.06500	9.7
121.10130	25.3
123.04446	7.3
123.08102	7.5
123.11691	6.3
125.09621	7.8
127.03939	5.5
128.06241	8.3
129.07005	30.0
130.07799	4.4
131.08571	47.9
133.06483	8.6
133.10123	34.7
135.04430	3.1
135.08057	8.0
135.11671	17.1
137.06059	3.3
137.09612	5.8
139.03944	3.8
139.11211	4.3
141.06981	10.3
142.07756	5.8
143.08568	29.2
145.06490	6.4
145.10136	31.5
147.04390	7.1
147.08026	5.2
147.11673	19.5
149.05978	4.9
149.09642	6.4
149.13268	9.8
151.11180	3.7
153.07016	3.8
154.07863	3.8
155.08554	22.5
156.09389	5.4
157.10094	24.2
159.08034	9.8
159.11697	23.7
161.05998	6.1
161.09596	7.2
161.13289	9.0
163.11180	7.0
166.07704	4.9
167.08588	7.9
169.10101	16.8
171.08128	3.7
171.11685	20.3
173.04507	4.4
173.06029	3.9
173.09628	4.7
173.13286	11.5
175.11191	5.7
177.12827	6.1
179.08659	4.4
181.10150	11.2
183.08075	5.6
183.11681	17.9
184.07397	3.4
185.09636	5.6
185.13255	20.3
187.11150	3.6
187.14885	6.5
189.11272	6.1
189.12837	3.5
193.10185	6.4
193.12119	3.3
195.11769	7.5
195.13548	3.1
197.09641	4.7
197.13208	14.0
199.11095	3.8
199.14839	5.1
207.11707	6.0
209.13278	7.2
211.14864	6.1
213.12784	3.2
221.13202	3.8
223.15005	5.1
225.12718	3.7
225.16264	3.6
227.12776	4.8
235.14897	3.7
259.20566	4.0
269.11713	5.0
269.17560	5.2
273.18460	16.3
275.20126	5.5
291.19455	32.8
297.21774	3.6
315.12259	4.6
333.13293	20.4
333.24185	5.3
335.25943	6.8
339.18079	5.1
347.22552	3.6
365.23602	3.4
417.31305	7.0
425.18097	5.4
435.32620	18.4
451.24466	3.0
451.31570	3.0
453.33762	6.5
509.36606	6.4
527.30005	4.5
527.37329	52.0
528.37994	29.1
529.39178	5.9
541.35724	6.3
547.34473	4.2
557.31769	4.0
565.35077	6.8
575.34082	8.2
593.34460	17.5
611.35834	20.7
629.36957	4.9
667.38013	11.8
685.39636	28.5
703.40247	68.6
704.41071	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	703.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
57.03427	0.5
57.06796	0.5
57.07074	7.4
66.48308	0.4
67.05509	3.0
68.99787	0.4
69.03415	1.8
69.07058	2.0
71.08625	5.6
71.58459	0.7
79.05476	0.8
81.03403	1.6
81.07054	4.1
83.08620	2.3
85.02898	3.3
85.10185	3.2
89.06007	0.4
89.94278	0.5
91.05501	0.5
93.07034	0.9
95.08604	4.8
97.02876	2.3
97.10151	0.9
99.04414	0.7
99.45912	0.5
105.06976	0.5
109.02877	1.0
109.10157	2.7
110.17464	0.5
111.00787	0.9
117.06960	0.5
119.08545	0.6
121.02824	0.8
123.11710	1.4
125.13215	0.7
127.03961	2.2
136.06194	1.1
137.02336	3.3
145.04932	0.7
153.01836	3.2
163.03839	0.9
165.01802	2.1
183.02843	0.8
183.04353	0.4
183.37961	0.4
195.02750	0.5
201.05450	1.4
227.10829	0.4
229.04964	5.0
239.23660	4.7
247.05978	0.8
257.04407	2.5
267.16064	0.5
274.04697	0.6
285.03900	1.0
303.04980	100.0
304.05185	2.6
335.22003	0.4
371.15240	0.5
383.27866	1.7
396.92670	0.4
401.29034	0.8
685.28302	1.0
703.47681	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01880	0.6
55.05497	1.1
57.06797	0.3
57.07074	5.4
67.05503	2.4
68.99793	0.4
69.03431	4.1
69.07079	1.4
69.44602	2.6
71.04990	0.5
71.08630	3.9
79.05449	0.5
81.03422	6.0
81.07058	3.2
83.08595	1.6
85.02898	3.0
85.10193	1.8
95.04951	0.4
95.08616	3.5
95.81947	0.3
97.02902	5.7
97.10151	1.1
99.04458	1.0
103.77666	0.3
109.02882	3.5
109.10143	2.0
111.00785	1.0
120.34040	0.3
121.02835	0.9
121.03616	0.3
123.04443	0.5
123.11695	0.6
125.00008	0.4
127.03914	4.2
133.02744	0.3
136.06194	0.4
137.02336	3.0
137.13211	0.4
142.28052	0.3
145.04901	1.2
145.06516	0.3
149.02335	0.5
150.18950	0.3
152.66982	0.3
153.01802	4.1
163.03941	0.5
165.01842	1.3
183.02930	0.6
184.07320	0.8
201.05518	2.3
209.67725	0.3
229.04950	4.7
239.23665	2.6
247.06013	0.8
257.04443	3.7
257.24661	0.3
274.04724	0.7
285.03894	1.4
303.04993	100.0
304.05307	2.2
321.62216	0.3
345.06226	0.5
383.27942	4.8
578.12256	0.4
703.48053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.0
51.71754	3.3
53.03953	17.5
53.13492	2.7
55.01867	12.5
55.05512	47.4
57.03441	22.6
61.02655	3.4
61.02917	23.2
62.45560	4.1
63.17175	2.9
65.03937	4.6
67.05505	84.2
68.62290	3.3
69.03429	42.7
69.07068	31.5
69.91225	16.7
71.04990	13.7
71.45995	3.1
73.02908	18.0
79.05489	78.0
81.02930	4.2
81.03411	73.2
81.07053	79.5
83.04986	27.0
83.08614	20.3
85.02916	23.8
85.06547	6.9
91.03945	7.0
91.05482	84.5
93.07038	83.7
95.04971	27.1
95.08603	56.3
97.02882	38.8
97.06512	6.7
97.10154	10.1
98.20775	4.8
99.04471	7.9
101.02361	7.6
105.07027	71.2
107.04976	13.6
107.08572	29.9
109.02904	16.2
109.06521	12.1
109.10164	18.7
110.68502	3.1
111.04421	4.7
111.08073	5.9
113.64623	3.2
115.05431	8.8
117.07017	35.2
119.08578	50.0
121.06502	5.7
121.10130	25.8
123.04472	3.9
123.08043	8.9
123.11736	3.8
125.09595	6.2
127.03933	15.7
128.06216	9.3
129.05467	7.2
129.06995	35.9
129.88100	3.1
131.08568	45.9
133.06505	6.8
133.10133	32.1
135.08092	4.5
135.11702	10.2
137.09650	5.3
138.60390	3.3
139.11285	3.4
141.06961	17.3
143.08542	39.7
143.09552	3.8
145.06496	10.8
145.10129	35.5
147.07985	5.7
147.11693	22.6
149.09644	4.9
149.13225	4.8
153.06953	7.8
154.07785	4.8
155.08530	27.6
157.10135	28.7
159.08090	3.7
159.11658	23.7
161.09560	6.0
161.13255	10.5
163.11166	5.4
165.06960	7.5
166.07748	5.8
167.08563	21.2
168.09357	5.7
169.10121	35.0
170.10895	4.0
171.08142	5.9
171.11702	31.8
173.04456	18.6
173.09703	4.5
173.13309	12.4
175.11220	4.6
175.14780	5.4
177.12805	4.9
179.08569	8.0
181.10086	22.6
182.10764	3.8
183.11714	28.1
185.09645	5.9
185.13243	14.1
189.12808	5.8
193.10164	7.4
195.11716	25.6
197.13203	18.6
199.11267	4.2
199.14912	5.9
201.16373	3.7
205.10146	6.6
205.12225	4.0
207.11685	8.3
207.13785	8.1
209.13359	18.8
211.14839	9.4
219.11632	4.0
221.13301	8.9
223.14839	9.9
225.16457	4.8
233.13332	6.3
235.14818	4.4
237.16394	5.8
239.18027	5.7
241.19586	5.2
248.69188	3.4
249.16576	5.3
261.16348	3.8
281.17566	11.5
295.20447	4.2
297.68900	3.6
321.22229	4.3
323.23749	4.5
333.24200	4.9
339.23260	4.7
367.22769	9.8
447.32730	20.5
465.33469	10.0
503.35593	4.5
521.36273	13.4
537.35822	4.9
539.37311	100.0
541.38538	6.4
551.37701	4.5
557.38458	6.9
581.38470	7.1
623.39410	4.4
647.39154	9.4
665.40070	7.1
683.40576	7.1
701.42542	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.4
55.01871	13.7
55.05507	52.6
55.27668	5.8
57.03422	8.7
65.03957	12.3
67.05501	100.0
69.07069	41.9
69.89083	6.0
71.04999	11.5
71.59136	8.5
73.17638	6.7
73.18080	5.0
74.28224	5.6
79.05489	82.8
81.03418	18.5
81.07056	97.7
83.04983	13.4
83.08620	30.8
85.02892	7.1
91.05478	98.5
93.07035	87.1
95.01336	13.3
95.04971	29.7
95.08613	66.2
97.06538	15.9
97.10148	12.1
105.07027	77.1
105.27218	5.5
107.04944	7.9
107.08588	43.2
109.06537	7.3
109.10168	23.8
110.29974	6.2
111.08106	6.2
112.10210	7.2
115.05444	11.5
117.06999	48.8
119.05009	6.1
119.08577	52.5
121.06525	9.0
121.10134	37.5
123.11700	9.2
125.09544	6.4
128.06252	13.9
129.07021	49.9
131.08563	56.3
133.06413	6.6
133.10118	50.9
135.08026	9.6
135.11720	18.1
137.09602	9.7
141.06992	45.1
142.07797	17.1
143.08537	65.7
145.06566	8.5
145.10077	41.8
147.11673	22.9
149.13266	8.6
153.06949	7.4
154.07777	7.7
155.07346	10.7
155.08517	61.7
156.09387	9.6
157.06415	7.5
157.10115	50.7
159.11655	35.1
161.13208	8.6
165.07022	12.3
166.07774	10.7
167.08597	28.3
169.10149	61.4
169.97623	6.2
171.11671	43.6
173.13214	10.0
175.14915	8.6
178.07787	8.8
179.08601	15.4
180.09268	6.6
181.10091	35.6
182.10895	8.0
183.08080	8.5
183.11716	49.7
184.07339	8.1
185.09703	9.5
185.13219	35.7
186.76683	6.2
187.14816	12.2
189.05432	8.8
191.08568	6.1
193.10135	13.6
195.11696	32.6
197.09656	7.0
197.13277	39.3
199.11211	8.7
199.14789	12.5
201.12828	6.7
205.10248	7.4
207.11769	19.6
209.13306	24.8
211.14803	18.0
213.12863	6.4
219.11731	15.8
221.13237	21.8
223.07591	6.2
223.14816	22.5
225.16479	8.1
229.19667	6.4
235.14894	9.7
237.16393	6.6
239.17996	12.6
241.19553	9.3
243.14162	7.3
247.14879	8.8
259.20612	8.9
287.12924	9.4
303.21182	9.5
313.21909	8.1
315.12128	6.9
333.13324	27.4
335.19974	6.9
335.23721	7.1
351.19891	16.1
415.29510	8.7
425.17703	9.6
433.30991	17.3
451.32281	13.1
497.32257	9.3
507.34430	10.7
509.30566	7.7
525.28473	8.6
525.35748	88.1
526.36517	84.8
527.37726	14.3
555.30389	7.6
565.34912	8.9
573.31903	9.5
581.34375	7.7
583.35547	8.0
591.32855	30.5
609.33911	39.7
665.36401	26.9
683.37585	52.7
701.38623	70.4
701.49554	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	701.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
56.96558	0.8
57.03425	0.7
61.02922	0.4
67.05513	2.1
69.03427	1.0
69.07073	0.6
71.03311	0.7
71.03652	0.5
71.04992	0.6
73.02893	0.5
79.05493	1.6
81.03417	1.3
81.07047	2.4
83.05004	0.5
83.08639	0.5
85.02914	1.0
88.47435	0.4
91.05486	1.2
93.07047	1.3
94.70684	0.4
95.04970	0.8
95.08604	1.3
97.02895	0.4
105.07027	1.5
107.08609	0.6
109.06444	0.3
109.10118	0.4
117.07033	0.4
119.08533	0.5
121.10196	0.4
123.08029	0.4
129.06981	0.8
131.08524	0.8
131.70511	0.3
133.10092	0.5
133.53943	0.4
135.08029	0.4
135.11639	0.4
135.93716	0.3
136.06200	0.5
143.08597	0.4
145.10130	0.7
147.11748	0.5
157.10117	0.8
168.44331	0.3
169.10123	0.7
173.13333	0.5
179.14342	0.6
183.11746	0.6
185.04221	0.8
203.05232	1.6
203.98357	0.3
241.85489	0.4
259.07953	1.1
303.68246	0.4
315.16196	0.5
321.22559	1.0
333.17447	1.5
347.09564	0.8
351.18509	2.0
365.10611	2.8
414.62277	0.4
421.13327	0.8
423.31094	0.6
477.17963	0.4
539.31689	14.4
550.94037	0.4
701.37097	100.0
702.37427	3.0
728.55261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.2
55.02998	6.8
55.05505	8.0
60.05668	6.7
65.03944	3.4
67.05506	7.5
67.24648	1.1
68.05019	1.1
69.03414	4.4
69.25516	4.9
69.25940	6.8
70.06594	7.3
72.08152	45.7
80.01366	1.7
82.02947	3.2
83.04971	9.8
84.08158	1.4
85.02902	3.0
86.09701	1.7
91.04985	0.9
91.05460	6.1
93.03410	4.7
95.04974	13.6
97.07651	44.3
97.64104	0.8
98.02410	7.4
98.06046	3.1
98.21561	2.3
107.04984	5.6
110.02401	68.1
111.04447	15.7
112.08751	1.5
114.10287	58.9
115.08703	6.5
117.07023	1.2
119.04929	13.7
121.02871	3.6
124.05132	1.4
128.03424	1.2
129.05507	2.6
131.04901	1.1
131.12920	10.3
137.05885	1.1
139.03900	8.8
140.08165	1.3
145.06415	1.4
147.04402	93.2
151.08711	2.3
152.07065	84.6
152.08089	4.0
157.04980	4.2
166.09785	1.5
169.09700	5.9
170.08139	4.4
191.08441	1.3
193.08371	1.1
193.29553	1.1
194.09247	48.7
199.06003	1.9
209.07991	1.1
211.11917	5.5
212.08374	2.6
213.09132	1.8
217.07089	3.7
217.13361	8.2
218.11795	7.2
219.08095	1.2
223.07524	1.3
237.09155	3.4
247.07617	1.9
260.13910	8.7
265.08633	3.3
267.10263	1.4
277.16592	26.8
277.19504	1.7
292.09778	1.9
293.08115	3.4
320.44754	1.3
363.17020	1.5
364.15518	2.5
406.17880	3.3
410.15915	1.3
423.20282	21.4
441.21378	10.8
597.25555	5.9
611.27057	4.2
615.26563	3.9
639.26483	12.5
640.25610	1.3
643.49469	1.1
655.26495	1.8
657.27606	61.4
683.25403	4.3
701.26556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.3
57.03433	7.4
57.07074	45.1
57.83464	2.2
60.08157	4.9
61.02927	17.8
67.05511	17.6
68.24620	1.8
69.03436	2.1
69.06734	2.0
69.07057	9.6
70.26157	1.9
71.07388	2.2
71.08630	39.8
73.02924	5.5
75.04459	2.0
79.05485	2.7
81.03399	2.6
81.07047	21.9
83.08620	11.9
85.02901	17.7
85.10178	19.5
86.09699	14.0
91.03961	14.3
91.05502	3.4
93.07079	3.2
95.08604	31.6
97.02901	8.5
97.10171	10.9
98.21498	5.6
109.10149	14.3
111.11697	3.6
121.10086	2.2
123.11704	7.9
124.99992	11.8
127.03908	6.7
136.06192	17.8
137.06554	2.4
137.13277	4.1
145.04997	5.4
163.05980	10.9
184.07350	42.2
229.33025	2.7
267.26785	25.7
285.28009	2.7
341.30481	100.0
359.31540	18.1
427.42184	2.2
647.19507	2.2
700.44824	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
57.03419	0.8
61.02921	1.0
67.05494	1.1
69.03413	1.9
70.06580	2.2
71.01341	0.8
71.25097	1.5
73.02885	1.2
79.05495	1.6
81.03422	3.5
81.07051	1.6
83.04950	0.8
84.08122	1.3
85.02899	2.2
86.09692	0.9
88.50433	0.7
89.03922	5.4
91.05466	3.0
93.07026	2.5
95.04934	1.6
97.02879	1.7
98.21030	1.0
99.04470	1.0
103.05471	1.1
105.07011	2.0
105.32460	0.6
107.04969	1.1
107.08596	1.0
109.02882	1.0
109.10168	0.9
117.03378	20.2
119.04971	1.0
119.08582	1.4
121.10144	1.2
124.05159	0.7
125.05984	0.7
129.06998	1.8
130.79263	0.6
131.04947	1.2
131.08566	1.3
134.03650	1.3
135.04407	1.9
136.06184	3.5
137.05942	4.0
141.07036	0.7
145.02843	49.5
146.03101	1.0
147.04420	1.8
149.05986	7.2
151.03833	0.8
151.07518	0.9
152.05638	1.0
157.06470	0.7
163.03970	1.0
163.07535	0.9
167.07037	1.7
174.06763	2.1
175.07530	1.9
177.05470	100.0
178.05768	1.1
182.26120	0.7
186.05443	1.4
187.07574	1.2
189.09099	3.7
191.10603	0.8
195.06580	2.2
201.09152	1.9
203.10757	0.9
207.06554	1.1
215.10722	0.9
219.10161	19.2
287.05533	2.2
299.05481	1.9
321.09631	1.6
323.13043	0.7
325.14359	1.2
327.05417	0.7
339.10706	5.4
419.82925	0.8
536.32275	0.7
699.18860	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	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
61.02929	0.3
67.05505	1.0
69.07077	0.3
69.41341	1.6
69.41748	0.6
73.94303	0.2
77.96347	0.2
79.05458	0.4
81.03421	0.3
81.07069	0.8
91.05479	0.7
93.07047	0.7
95.08623	0.6
105.07049	0.6
107.08618	0.3
107.88550	0.2
109.10155	0.4
119.08629	0.4
125.92731	0.2
125.93661	0.2
129.07060	0.3
133.10130	0.2
136.06213	1.0
141.66206	0.2
144.40340	0.2
145.10149	0.3
147.04378	0.3
152.40504	0.2
185.04219	0.7
196.12367	0.2
259.08032	0.4
275.20212	0.3
301.20178	0.6
330.98349	0.3
347.09503	0.9
481.26053	0.3
537.30389	16.6
538.30811	0.8
568.45135	0.3
699.35577	100.0
700.35828	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	699.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
57.03419	0.8
61.02921	1.0
67.05494	1.1
69.03413	1.9
70.06580	2.2
71.01341	0.8
71.25097	1.5
73.02885	1.2
79.05495	1.6
81.03422	3.5
81.07051	1.6
83.04950	0.8
84.08122	1.3
85.02899	2.2
86.09692	0.9
88.50433	0.7
89.03922	5.4
91.05466	3.0
93.07026	2.5
95.04934	1.6
97.02879	1.7
98.21030	1.0
99.04470	1.0
103.05471	1.1
105.07011	2.0
105.32460	0.6
107.04969	1.1
107.08596	1.0
109.02882	1.0
109.10168	0.9
117.03378	20.2
119.04971	1.0
119.08582	1.4
121.10144	1.2
124.05159	0.7
125.05984	0.7
129.06998	1.8
130.79263	0.6
131.04947	1.2
131.08566	1.3
134.03650	1.3
135.04407	1.9
136.06184	3.5
137.05942	4.0
141.07036	0.7
145.02843	49.5
146.03101	1.0
147.04420	1.8
149.05986	7.2
151.03833	0.8
151.07518	0.9
152.05638	1.0
157.06470	0.7
163.03970	1.0
163.07535	0.9
167.07037	1.7
174.06763	2.1
175.07530	1.9
177.05470	100.0
178.05768	1.1
182.26120	0.7
186.05443	1.4
187.07574	1.2
189.09099	3.7
191.10603	0.8
195.06580	2.2
201.09152	1.9
203.10757	0.9
207.06554	1.1
215.10722	0.9
219.10161	19.2
287.05533	2.2
299.05481	1.9
321.09631	1.6
323.13043	0.7
325.14359	1.2
327.05417	0.7
339.10706	5.4
419.82925	0.8
536.32275	0.7
699.18860	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	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
57.03436	1.3
58.61390	0.5
59.79237	0.5
61.02927	4.8
67.05496	3.0
69.03419	3.4
69.07061	1.8
70.20602	2.2
70.20931	0.6
71.04990	0.9
73.02921	3.1
78.97414	0.6
79.05489	2.0
81.03416	2.2
81.07046	7.0
83.04951	1.2
83.08606	1.1
84.04507	1.0
85.02911	4.6
85.06541	0.6
86.09714	0.5
91.03945	1.6
91.05459	2.7
93.07047	2.9
93.24873	0.5
95.04960	0.9
95.08615	2.4
97.02879	3.8
97.06540	0.5
97.10149	0.5
98.21461	0.6
99.04462	0.7
101.02370	1.4
103.03976	0.5
105.07022	4.4
107.08607	1.9
109.02882	0.8
109.10136	0.8
111.04440	0.7
115.03870	0.6
117.07014	1.1
119.08600	3.7
121.10160	2.7
123.08070	0.6
123.11713	2.3
126.05511	0.6
127.03925	1.9
127.07529	0.6
136.06184	1.9
147.11661	5.7
159.11763	0.6
165.12778	2.1
185.04291	0.9
192.10249	0.8
203.05345	0.7
225.13347	0.5
243.08527	1.1
251.12614	1.3
255.65480	0.5
265.17041	0.6
269.12317	2.6
285.16965	0.7
287.13513	1.7
307.15094	1.0
325.14944	0.9
425.21198	0.6
469.20255	15.3
470.20456	1.0
487.20245	0.8
535.28577	1.5
653.35406	1.2
697.33972	100.0
698.34326	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	697.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42205	1.2
55.01866	2.3
55.05495	3.1
57.03422	2.7
61.02932	6.3
67.05504	12.6
69.03415	2.5
69.07059	1.7
69.35339	2.3
69.35748	9.1
71.04982	1.8
73.02903	3.8
79.05484	4.1
81.03408	2.9
81.07063	8.5
83.08611	2.4
85.02921	5.2
87.04437	1.0
91.03947	4.0
91.05492	4.8
93.07052	3.9
95.04974	2.3
95.08589	4.0
96.08957	1.3
97.02885	6.4
97.06531	1.0
99.04429	1.7
101.02372	2.9
105.07025	2.1
107.04978	1.1
107.08572	2.4
109.02896	1.5
109.06483	1.3
109.10157	9.7
110.07175	2.5
111.04420	1.3
117.06970	1.7
119.08574	2.9
121.10127	1.8
127.03894	2.5
127.34760	1.0
133.10126	2.9
136.06171	1.1
139.33305	1.0
145.10152	1.1
147.11722	1.3
149.13315	1.1
159.11700	1.3
173.11736	4.5
185.04239	4.3
195.09933	1.1
195.13695	1.2
201.03752	1.3
212.11536	1.1
221.11427	1.6
229.14264	2.0
235.13054	1.3
243.08418	3.4
245.53963	1.2
301.08939	5.0
315.10413	2.2
371.16681	4.3
373.10901	3.5
385.17932	2.3
413.17838	20.7
425.21460	3.0
429.17096	1.3
453.21005	4.8
469.20462	1.1
481.18491	2.6
483.21936	1.6
484.22537	1.7
485.19739	6.5
499.21155	2.2
525.46375	1.2
541.26129	5.2
567.31372	21.3
568.32013	2.0
596.31720	5.8
597.31781	1.2
623.33252	1.3
625.31909	100.0
626.32336	2.9
628.23962	1.4
628.30890	3.1
631.60071	1.0
651.33246	8.2
653.34796	2.1
697.33984	25.5
697.47351	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	697.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10000	2.2
69.03417	3.5
69.07068	2.7
69.77351	12.2
70.06586	5.3
81.07059	1.9
85.02882	7.7
86.09693	4.2
93.07063	2.4
95.08602	2.4
95.78162	1.8
98.21001	5.1
107.04945	2.1
114.31019	2.1
120.08075	2.4
132.52177	1.6
137.05928	3.4
140.07114	2.3
148.78543	1.7
154.08603	2.0
177.05453	3.7
181.04964	2.1
194.08105	2.0
207.06331	2.1
214.11162	2.1
229.13498	2.2
237.10243	6.4
249.10236	6.9
250.11102	4.7
251.11815	11.5
253.09674	7.0
263.11832	6.8
265.09738	13.5
267.11380	4.0
277.09625	5.3
278.10495	5.6
279.08145	3.5
279.11258	20.0
280.11987	3.1
281.12720	3.3
283.10846	2.0
287.05457	16.9
293.09119	6.3
293.12766	6.4
294.10022	2.4
295.10699	4.3
295.14270	4.9
297.12299	3.6
299.13913	2.4
299.47086	2.0
307.10663	6.1
309.12241	7.9
311.10266	2.7
311.13889	4.0
312.11005	7.6
313.11832	2.6
323.10214	2.4
323.13766	4.2
324.10971	5.2
325.11792	11.6
326.12463	2.4
327.13367	48.3
335.10220	3.4
336.11041	4.4
337.11856	2.8
339.13361	100.0
340.13815	5.0
353.11115	9.5
367.12860	84.7
368.13577	14.1
369.14331	4.9
385.13986	5.3
399.15521	15.4
416.16519	2.3
418.77661	2.0
474.16278	2.4
476.18268	4.6
499.42621	2.3
508.20758	87.0
508.28329	4.3
526.21399	8.6
540.23425	85.0
541.22919	2.9
615.24121	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	697.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.96563	4.0
57.03414	0.8
67.05502	0.9
69.03416	0.9
70.06577	1.1
71.33263	1.4
72.04499	0.7
73.02901	0.7
73.89175	0.6
74.19011	0.8
79.05493	1.2
81.07057	0.8
83.04954	0.8
84.04481	1.1
84.96014	1.4
85.02898	1.0
93.07029	1.2
95.04932	0.8
97.02907	1.7
98.97562	0.9
105.07019	0.8
119.08584	1.2
121.10172	1.2
137.05984	3.1
147.04372	0.6
159.11682	0.8
162.07642	1.6
167.06984	0.7
177.05548	2.1
195.07024	0.7
203.02275	1.1
203.75412	0.7
221.03149	0.8
239.06026	2.0
241.07527	1.9
257.06976	1.4
259.08609	3.1
265.28671	0.7
280.12024	1.7
283.08563	1.0
325.11853	8.9
415.04602	0.7
497.17670	2.2
513.17578	0.9
515.19281	0.9
551.22046	1.4
635.28656	1.9
679.26123	1.0
697.28186	100.0
698.28589	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
69.07066	0.7
70.06583	2.9
71.58402	0.9
72.08166	1.1
76.16792	0.6
84.08146	1.7
85.02890	1.1
85.08475	0.7
86.09714	1.2
91.05492	0.8
105.40034	0.6
120.08060	0.9
122.06025	1.5
131.04860	0.7
136.07613	0.8
137.05997	0.7
140.07043	1.0
146.51950	0.6
147.04369	1.3
152.07103	1.5
154.08569	0.8
156.10255	1.8
161.45744	0.5
166.08652	0.8
167.07063	1.7
168.10170	1.2
172.03822	1.3
177.05481	1.4
181.04971	0.7
190.05034	0.9
194.08122	1.3
204.06621	1.7
207.06531	1.6
223.12280	0.6
225.10228	4.4
234.09001	0.6
235.08795	1.7
236.09515	2.1
237.10226	4.3
238.11029	1.4
239.11800	1.3
240.12515	3.4
248.09151	0.7
249.10251	2.4
250.11032	2.2
251.11790	13.1
252.12497	0.7
253.09792	3.3
253.13353	1.6
263.11737	1.0
265.09711	10.2
266.10410	1.0
267.11191	3.3
277.09573	0.9
278.10437	1.9
279.07809	1.9
279.11218	15.8
280.12033	2.3
281.12836	2.0
283.10837	1.0
284.11612	0.9
293.09229	6.1
293.12808	2.3
294.09976	2.2
295.10843	1.4
295.14218	1.1
297.12354	8.8
299.13858	4.7
303.13333	0.7
307.10822	4.6
308.11768	0.8
309.12183	3.6
311.10406	1.7
311.14139	2.4
312.11047	3.8
312.14291	0.8
313.11987	0.7
323.14011	0.7
324.11090	1.0
325.11819	24.3
326.12350	1.6
327.13382	17.2
329.06754	0.8
335.10306	2.2
339.13394	25.4
340.14050	4.3
352.10452	0.7
353.11386	4.9
357.14380	2.7
367.12872	12.8
368.13629	5.9
369.14420	1.4
385.13919	16.3
399.15564	12.9
400.16025	1.4
438.68658	0.6
474.16290	0.7
508.20789	2.5
540.23413	100.0
541.23590	3.8
615.23969	1.2
697.26929	1.1
697.51898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2829
Annotation	2',4'-Dihydroxy-6'-methoxy-3'-(2-hydroxybenzyl)-5'-(3 x 2-hydroxybenzyl)dihydrochalcone
Peak:m/z	Relative Intensity
53.48027	0.6
53.48954	0.5
55.05507	0.7
56.96570	2.8
57.03447	0.6
60.96312	0.5
64.67973	0.6
67.05499	0.7
69.03417	0.9
69.76806	0.5
70.06615	0.8
71.27994	0.9
71.28327	0.7
79.05505	0.6
80.15082	0.5
81.03391	0.5
81.07070	0.7
84.96037	1.1
85.02908	0.8
86.01749	0.6
91.05487	1.2
93.07047	1.3
95.08597	0.9
97.02906	0.9
98.97590	0.8
100.31895	0.5
105.07076	0.8
119.08591	1.0
121.10174	0.6
133.69130	0.6
137.05986	1.6
161.06018	0.7
177.05487	1.3
179.87935	0.5
203.02287	1.1
239.05980	0.9
241.07520	1.0
243.81161	0.6
257.06964	1.3
259.08566	1.8
283.08508	1.4
325.11749	3.0
325.43369	0.7
367.17798	1.1
493.73026	0.6
497.17841	1.7
513.17468	0.9
533.21075	0.6
535.22974	2.2
551.22015	0.7
563.40259	0.6
635.28198	2.0
679.26788	1.7
697.28217	100.0
698.28503	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	697.1606
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03952	1.1
55.01875	1.0
57.03436	0.7
59.69166	0.2
61.02927	0.7
65.03922	0.2
66.78944	0.1
68.99797	0.8
69.03428	4.4
69.64880	1.0
70.06582	0.5
71.04974	0.6
72.08129	0.3
73.02910	1.0
81.03414	5.4
84.04482	0.2
85.02901	7.4
86.09677	0.4
87.00822	3.5
87.04446	0.2
91.03947	0.3
97.02885	2.9
98.20709	0.2
99.04454	1.6
105.01289	0.2
105.01874	2.3
105.03356	0.3
107.04961	0.3
109.02869	3.9
109.07696	0.1
111.00771	0.6
111.04447	0.1
113.02233	0.1
117.01836	0.7
117.07017	0.2
121.02860	2.0
127.03910	6.5
128.52914	0.1
129.01814	0.4
131.04892	0.3
133.02859	0.3
137.02325	0.6
137.05956	0.3
145.04961	2.1
145.06088	0.2
147.02832	0.4
147.04369	0.6
153.01807	2.6
157.06451	0.3
159.02878	2.7
161.06007	0.2
165.01823	1.5
168.07416	0.2
183.02940	0.7
185.05945	0.3
208.09631	0.2
213.03752	0.3
213.05571	0.7
231.04623	0.8
231.06702	0.4
241.04921	0.6
258.05283	1.1
259.06033	0.4
261.14410	0.3
287.05475	100.0
288.05777	1.3
329.06549	0.6
363.15463	0.3
395.07529	0.2
449.10794	7.8
556.93378	0.2
578.76440	0.2
696.34387	0.2
697.33984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1606
Annotation	Quercetin 3-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03942	1.5
55.01858	1.0
57.03438	1.9
61.02911	0.9
68.99784	1.0
69.03428	4.6
69.37473	0.6
69.37878	2.8
70.06579	1.2
70.54091	0.3
71.01351	0.4
71.04995	7.3
72.08139	0.4
73.02909	1.1
73.84732	0.3
79.95174	0.3
81.03416	6.1
83.04978	0.6
84.08113	0.5
85.02904	16.4
86.09712	0.6
87.00829	4.1
91.05476	0.7
93.07040	0.5
95.04945	0.6
97.02895	3.0
98.21520	0.5
99.04455	1.8
105.01869	2.3
109.02871	6.0
111.00765	0.6
111.04411	0.6
117.01842	0.6
119.08577	0.7
121.02892	0.5
127.03911	6.8
129.01804	0.4
129.05476	1.5
137.02350	2.4
137.05972	0.5
145.04935	3.0
145.06088	0.3
145.06551	0.3
147.02884	0.5
147.04382	0.5
149.06020	0.3
153.01831	2.5
159.02887	3.8
163.03964	0.4
164.63155	0.3
165.01814	1.7
172.96936	0.4
173.05952	0.4
174.93472	0.3
176.81049	0.3
178.05022	1.5
189.03909	0.3
201.05467	1.1
206.04460	2.8
207.04762	0.8
208.09651	0.4
213.03859	0.5
229.04951	2.8
231.04929	1.5
237.07582	0.4
242.91891	0.4
247.06075	0.5
257.04462	1.9
274.04782	0.5
274.88309	0.3
285.03970	0.7
287.05627	1.5
303.04980	100.0
304.05270	1.5
315.05038	0.8
345.05923	1.1
369.06192	0.4
413.08398	0.4
431.09872	0.4
449.10526	1.3
449.16473	0.4
533.18628	0.6
551.10626	0.7
697.27563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.8
55.01875	7.1
55.05502	45.9
57.03431	7.6
57.07079	5.2
62.72306	4.7
67.05172	7.6
67.05499	89.9
69.07072	34.9
71.04987	6.2
71.08640	8.1
71.31731	7.7
71.32056	5.3
79.05486	63.6
81.03395	9.9
81.07052	100.0
83.04965	15.1
83.08615	22.9
83.86244	4.7
85.06535	8.3
91.04959	6.8
91.05475	53.9
93.07044	71.2
93.99501	4.7
95.04955	17.7
95.08616	48.5
97.06517	12.3
97.10168	12.3
99.08089	12.6
105.07040	37.5
107.04945	7.1
107.08599	36.6
109.06519	10.8
109.10155	19.6
109.60539	4.8
111.08052	7.0
117.07001	22.1
119.04871	5.4
119.08586	28.9
121.10134	20.1
125.09626	9.7
126.55170	5.2
129.07042	7.0
131.08611	23.4
133.10139	25.5
135.11671	13.7
141.47359	5.1
143.08536	6.5
145.10118	16.5
147.11639	22.6
148.06372	4.7
149.09698	6.0
149.13220	13.0
151.11118	10.7
155.08575	6.6
157.10075	9.0
159.11687	16.1
161.13272	8.3
163.11226	12.2
165.64569	4.4
171.11641	6.2
175.11232	6.3
179.14246	4.6
179.55241	5.3
189.11230	10.6
195.13657	5.1
227.12817	20.9
257.19000	12.0
259.20554	6.3
269.17502	20.6
275.20132	31.8
277.21564	17.8
349.23749	14.0
351.25281	14.2
449.28964	11.0
463.30206	7.1
527.37146	5.7
545.38336	7.6
625.44653	6.1
696.41498	8.5
697.42328	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	696.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.7
57.03432	6.0
57.07079	7.5
61.02924	25.7
63.31487	1.3
67.05501	57.1
69.03430	3.7
69.07066	19.5
71.03736	1.4
71.08626	4.5
73.02907	9.5
79.05488	18.7
81.03432	2.0
81.07055	72.1
82.07377	1.8
83.04974	3.2
83.08623	16.8
85.02901	30.3
85.06553	2.9
85.10133	2.3
86.08050	1.5
89.75433	1.5
91.03954	24.6
91.05482	13.9
93.07044	20.7
95.04984	2.5
95.08604	62.6
97.02892	13.9
97.06522	5.3
97.10185	10.7
99.04426	1.6
99.08092	1.9
105.07050	9.7
107.08578	15.0
109.10152	31.4
111.08096	3.2
111.11733	2.0
113.09695	1.6
119.08573	12.4
121.10138	17.5
123.11730	15.3
127.03909	6.2
127.11156	1.7
133.10123	15.2
135.11667	9.9
137.09637	2.0
137.13203	7.2
137.90442	1.4
141.12762	3.4
145.04932	12.2
146.21411	1.5
147.11641	9.1
149.13249	10.3
151.11198	2.2
151.14841	7.4
155.14302	3.7
161.13234	13.6
163.06004	21.3
163.14841	8.3
163.16011	1.5
165.16426	8.4
167.14200	2.2
172.12767	1.4
175.14844	9.2
179.17953	8.7
184.07375	3.0
189.16399	4.6
220.61929	1.4
230.21507	1.7
240.49770	1.5
245.22650	66.5
263.23703	100.0
265.25247	2.3
306.51520	1.6
337.27393	45.7
355.28561	7.7
400.65350	1.6
446.21722	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.05504	23.0
55.84785	2.1
57.03436	11.8
57.07068	10.1
61.02929	24.9
67.05502	82.2
67.30072	2.0
69.03442	4.0
69.07067	29.2
70.28564	6.7
70.28994	5.0
71.08627	5.5
73.02892	10.1
75.04507	3.1
79.05493	19.4
81.07056	100.0
83.05003	2.5
83.08623	22.0
85.02902	31.7
91.03956	25.8
91.05492	19.3
93.07041	30.0
95.04958	3.1
95.08607	85.5
97.02898	12.5
97.06522	6.4
97.10165	17.9
99.08080	3.3
105.07015	16.6
107.08595	24.7
109.10154	40.2
111.08051	3.4
111.11726	3.5
115.03938	3.1
119.08567	15.0
121.10159	29.9
123.11691	23.9
125.09637	3.2
127.03909	9.9
129.93060	2.2
133.10095	17.3
135.11673	14.9
137.13287	11.3
141.12758	3.8
145.04964	14.2
147.11708	12.4
149.13274	13.2
151.14786	5.1
155.14273	4.4
161.13251	20.2
163.06036	20.1
163.14841	12.4
165.16368	9.6
167.14232	3.0
175.14828	15.0
179.17946	8.7
189.16420	7.2
192.58450	2.8
193.15849	2.8
245.22646	71.9
263.23697	95.5
281.24612	2.8
337.27350	78.7
355.28394	9.5
499.32928	2.8
565.37494	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01876	2.8
55.05509	3.6
57.03432	1.5
61.14103	0.6
65.03926	1.0
67.05172	0.9
67.05505	11.3
68.99800	0.9
69.03430	4.2
69.07053	2.8
70.06431	3.0
71.01334	1.6
79.05502	8.1
81.03410	1.6
81.07060	11.5
83.08617	2.3
85.02885	2.4
87.33838	0.6
91.05476	6.1
93.07044	7.6
95.04958	2.4
95.08611	8.6
97.02877	2.5
97.06542	1.0
97.10143	1.0
103.05450	0.6
105.07016	5.2
107.08583	4.9
109.10166	3.2
111.00799	1.0
115.03905	2.7
115.05455	0.9
117.07021	2.8
119.08584	3.6
121.02853	1.3
121.06564	0.7
121.10122	3.7
123.04418	0.9
123.08044	0.9
123.11700	1.4
125.09632	1.2
127.03899	0.7
129.06992	1.7
131.08569	3.6
133.06432	0.9
133.10147	2.8
135.08037	0.8
135.11696	1.7
137.02325	3.9
137.03311	0.7
139.75011	0.5
141.06944	0.6
143.08540	0.6
145.06465	1.2
145.10100	2.8
147.08112	0.9
147.11664	1.4
149.09586	0.8
149.13264	0.9
153.01830	5.1
157.10191	0.9
159.11662	2.2
161.13217	1.2
163.03940	1.5
165.01830	2.4
173.13249	1.4
183.02846	1.2
184.07285	0.7
201.05460	2.1
209.13452	0.7
229.04955	5.2
233.62959	0.7
239.03151	0.7
251.65619	0.6
257.04321	3.3
259.20685	0.8
261.22122	2.4
274.04749	1.2
277.21841	1.0
285.03876	1.2
303.04987	100.0
307.04089	0.6
315.05032	1.0
330.74744	0.6
345.06299	1.0
357.24265	0.7
381.05807	0.6
695.40918	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62911	1.2
55.05491	1.1
62.89413	1.1
65.03949	1.5
67.05499	1.3
69.03432	2.4
69.07052	2.3
70.06583	4.8
72.08141	1.8
79.05499	1.7
81.03419	2.2
81.07051	1.2
84.04494	1.5
84.08147	2.9
85.02900	1.9
86.08813	1.0
86.09713	1.7
91.05479	4.5
93.07043	3.7
94.06557	2.7
95.04955	2.2
95.08589	2.1
97.02873	1.5
98.20771	2.0
105.07043	1.5
106.06556	4.1
107.04922	1.4
107.08588	1.8
108.08123	2.1
109.06508	1.6
117.03387	1.5
119.04872	1.8
119.08549	1.3
120.08114	1.9
121.10130	2.5
122.06020	11.3
123.04436	1.7
131.04962	1.7
131.08505	1.2
133.10162	1.3
134.05954	1.2
136.06187	1.3
136.06410	1.5
136.07573	17.7
137.05977	3.7
140.07071	1.5
144.52516	1.1
145.02844	4.7
146.06012	4.3
146.09624	2.1
147.04420	4.1
148.07574	7.2
148.08545	1.0
149.07434	2.1
149.09595	1.2
150.09132	1.8
152.07034	2.5
162.05458	1.6
162.09181	1.7
164.07062	34.6
166.08632	28.6
167.07039	1.8
168.06624	2.7
172.03902	2.7
174.05482	3.3
175.03801	1.1
176.07076	6.0
177.05484	5.9
191.05769	3.1
201.05511	1.2
204.06523	3.0
207.06535	3.3
208.09773	2.3
209.10863	1.4
210.11542	3.4
211.08626	1.2
211.12331	2.5
220.09874	1.3
221.10846	1.2
223.12320	5.0
224.13010	1.5
225.10222	1.1
225.13797	1.5
227.07111	1.1
227.11885	1.7
235.08601	3.9
235.12364	4.5
236.09267	1.6
236.13029	2.0
237.10229	7.3
237.13864	3.7
238.11052	7.5
239.11783	12.2
243.11223	1.4
247.12300	1.9
248.09521	6.1
249.10207	9.6
250.10910	7.9
251.11807	15.3
252.12518	2.9
253.13390	5.1
255.06586	3.9
255.11252	2.4
259.10919	1.4
261.12726	1.6
262.11105	1.3
263.11783	26.6
263.14484	2.3
264.08633	1.8
264.12625	5.4
265.09787	9.7
265.13367	47.0
266.13980	2.9
267.11273	5.4
269.12808	3.4
271.10641	1.0
271.14444	2.9
277.09702	4.4
277.13174	1.4
278.10406	4.1
279.11276	63.0
280.11893	3.6
281.12787	2.7
283.10855	1.3
283.14389	2.1
284.11996	1.3
287.13760	4.3
289.11960	1.8
291.11270	10.9
292.11938	3.0
293.12833	8.6
294.13693	2.5
295.10858	7.8
296.11609	3.1
297.09158	2.2
297.12344	29.3
298.12894	2.3
301.11789	1.6
305.14899	2.3
309.12323	69.2
310.13092	30.2
310.15979	0.7
311.10202	2.0
311.13858	37.5
312.14627	6.5
313.11826	4.5
313.15417	2.9
315.13440	4.6
319.10764	8.4
321.12256	4.8
323.10199	2.2
323.16223	2.5
337.11810	100.0
338.12576	40.5
339.13388	25.1
340.14026	1.7
341.11316	4.8
355.12796	2.5
359.12280	1.9
369.14453	31.8
370.15305	7.3
371.15930	5.8
373.13916	3.9
399.15561	3.3
400.16483	2.9
401.13501	5.2
416.15710	1.7
418.17862	1.5
450.19711	1.6
458.16953	4.7
476.18088	6.0
478.19797	2.0
480.21307	70.1
481.21527	2.0
494.19070	7.5
495.19910	1.8
506.19254	54.1
507.20175	2.0
508.20718	3.3
524.20300	12.0
538.21881	26.2
603.24390	1.9
627.24768	7.4
645.25397	12.8
663.26630	18.8
695.29010	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71887	0.6
70.06585	1.3
71.10526	1.2
86.09706	1.2
122.06022	1.0
137.05968	1.1
140.07098	1.1
144.86844	0.6
152.07071	1.0
177.05478	1.1
194.08125	1.7
209.10773	1.3
221.10741	0.7
223.12256	1.4
233.10748	0.7
235.08701	2.4
236.09518	1.0
237.10310	3.5
238.10896	0.8
239.11771	0.6
249.10246	15.1
250.10995	4.3
251.08142	1.4
251.11787	9.0
252.12524	1.5
253.13345	0.8
261.10330	1.4
263.08163	2.0
263.11804	1.7
264.08975	3.9
264.12186	0.9
265.09729	11.6
265.12897	1.0
266.10358	1.1
269.12988	0.8
277.09747	9.5
277.12643	1.1
278.10489	11.8
279.07703	10.5
279.11301	19.7
280.11926	1.5
281.09308	1.2
281.12555	0.8
282.09970	1.4
283.10742	0.9
289.09692	0.7
291.11285	0.8
292.08511	1.9
293.09326	2.6
293.12793	23.7
295.10760	2.6
295.14050	1.1
296.11594	2.5
297.12311	4.4
298.13150	1.0
305.09232	6.7
306.10147	2.8
307.10733	11.5
309.08926	1.0
309.12213	7.2
310.09470	2.1
310.12988	1.4
311.10263	7.2
311.13937	1.8
313.11829	0.7
313.15527	1.3
321.12222	2.4
322.13013	1.0
323.10202	4.6
323.13998	1.6
324.11157	2.6
325.11816	13.2
325.15509	1.0
326.12570	1.1
328.10919	1.0
329.11612	0.7
330.12549	0.8
333.08667	8.5
337.11795	2.5
338.12573	3.3
339.13391	41.0
340.14075	1.9
341.11462	0.9
344.14078	1.3
351.09732	21.1
352.10492	2.4
353.10974	1.1
353.14972	13.7
355.13013	1.7
356.13916	2.2
357.14401	1.6
358.15488	0.9
366.12115	23.3
367.12863	8.8
368.13791	1.0
369.14410	8.2
371.16119	4.9
373.17740	0.8
383.12372	4.1
384.13309	4.1
385.13858	1.0
386.15280	1.2
396.13675	0.8
397.14066	2.5
398.09808	1.0
398.14752	14.2
399.15509	100.0
400.16782	2.8
401.13327	1.5
403.15488	0.7
404.16278	1.0
414.14279	1.2
432.15277	1.1
442.17685	0.8
445.15948	0.9
446.16754	1.1
454.13779	1.6
460.18594	2.1
472.15384	1.6
473.15671	5.5
474.16608	8.8
476.18237	1.3
477.18967	0.9
488.18115	0.8
492.17303	2.2
504.17728	3.4
505.18344	13.5
506.19238	9.9
508.48276	0.7
512.24060	4.7
523.19604	4.1
524.19971	2.0
538.21838	68.5
539.22577	7.9
556.22906	22.9
557.23267	0.7
595.21771	1.1
598.24347	0.8
613.22839	4.4
627.24341	1.3
640.59277	0.7
645.25470	7.7
663.26733	4.4
695.29492	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05480	0.3
60.88731	0.3
61.31338	0.3
62.61538	0.3
65.03384	0.3
67.05492	0.4
67.56564	0.4
69.07035	0.7
70.06551	1.0
70.27040	0.3
72.08109	0.9
81.07038	0.3
84.08126	0.3
85.02908	0.4
86.09673	0.5
91.05469	0.4
94.06494	0.5
95.01153	0.4
95.04945	0.7
96.04494	0.3
97.06518	0.4
98.06053	0.4
98.20743	0.9
108.04478	3.5
108.08093	0.8
119.04897	0.3
120.04420	0.4
120.08084	0.7
122.05986	1.2
128.72105	0.3
131.12881	0.5
136.07541	1.2
138.05489	0.8
140.06067	0.3
140.07039	2.0
142.08592	0.4
145.02762	0.4
146.06017	2.1
147.04262	0.4
148.03848	0.4
148.07533	1.0
150.05461	0.8
160.07593	0.4
164.07025	0.4
166.04982	0.9
167.07022	0.4
168.06560	4.2
172.03789	0.3
174.05560	1.5
177.05415	0.6
196.07544	0.4
197.10651	0.4
199.08624	1.8
204.06491	1.0
206.08133	1.6
207.09032	0.3
210.09251	0.4
211.08659	6.6
211.12128	1.5
212.09276	1.8
213.10211	2.2
213.13741	0.3
214.10800	0.4
221.10693	1.4
222.09151	1.7
222.11278	0.5
223.08614	0.7
223.12201	0.5
224.10997	1.8
225.10208	6.3
226.07156	0.7
226.10991	1.2
227.08134	2.4
227.11713	0.6
228.08835	0.5
237.10173	0.6
238.11021	0.4
239.07959	1.1
239.11772	10.2
240.08733	1.6
240.12433	0.6
241.09761	2.4
241.13380	1.6
242.10529	0.9
249.10229	1.2
250.08572	1.5
250.10974	0.4
251.07945	1.6
251.11778	0.7
252.09035	1.7
253.09692	7.2
254.10414	1.1
255.11232	1.0
256.12198	0.5
257.12759	0.9
266.10510	0.4
267.11270	14.5
268.11981	0.6
269.09296	0.5
269.12823	1.8
272.11343	0.4
273.12225	0.7
278.07996	0.5
280.08438	0.5
281.09155	1.4
283.10852	0.9
284.11417	0.6
285.09042	0.5
285.12268	2.1
287.13885	0.8
295.10760	7.0
296.89197	0.4
297.12180	1.5
299.10220	0.4
301.11758	0.7
305.14850	1.1
313.11804	43.4
314.12213	1.4
315.13239	0.7
323.10287	2.7
327.12927	0.5
333.14334	3.0
341.11319	17.2
342.12122	2.4
355.12857	2.1
359.12375	6.0
364.83038	0.3
373.13931	100.0
374.14191	2.6
600.68976	0.4
627.24377	0.9
645.25391	1.5
659.26965	1.3
663.26416	0.7
677.27966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.2
55.05518	38.4
57.03431	13.4
57.07067	8.8
67.05509	83.2
69.07069	44.3
71.04965	7.3
71.59001	5.7
79.05495	68.7
79.91460	5.4
81.03414	12.2
81.07064	100.0
83.04974	15.3
83.08613	22.3
86.09693	8.3
91.05489	70.3
93.07047	68.4
95.04953	27.1
95.08606	46.8
97.06522	20.6
97.10170	18.7
105.07025	62.1
107.04951	15.8
107.08587	41.9
109.06492	14.3
109.10162	18.4
110.26879	4.7
111.08084	12.1
117.07017	22.2
119.08573	40.6
121.06506	12.6
121.10152	20.8
123.08031	7.3
123.11722	7.9
125.00046	8.7
125.09627	11.3
126.32548	5.7
129.06964	8.5
131.08592	28.7
133.10118	33.8
135.11700	24.4
143.08585	6.2
145.10150	29.6
147.11691	15.0
149.09608	17.2
155.08635	6.2
157.10110	7.8
159.11707	20.1
161.13245	11.6
163.11160	16.4
173.13295	6.0
183.00111	4.8
184.07359	30.7
185.91040	5.3
189.11180	12.1
227.12875	9.8
239.17981	6.0
255.15923	12.9
257.19058	12.4
269.17474	19.4
272.80753	4.7
275.20032	41.9
313.48038	5.1
349.23700	22.2
367.24902	7.2
458.47324	6.6
463.30762	7.6
543.36426	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10625	3.1
53.03930	6.5
55.01863	8.8
55.02271	2.8
55.05516	29.5
57.03436	33.7
57.07064	4.5
61.02929	39.8
61.86581	3.0
65.03922	5.2
67.05504	93.1
68.05845	3.5
69.03422	31.7
69.07067	28.7
69.51760	26.4
71.04987	9.8
73.02907	18.6
73.18369	3.3
75.04474	20.7
79.05061	5.1
79.05492	65.9
81.03422	31.8
81.07059	100.0
82.07401	3.7
83.04976	17.0
83.08608	19.9
85.02909	67.3
85.06539	5.8
91.03957	49.4
91.05478	63.6
93.05524	66.3
93.06472	5.4
93.07043	83.1
95.04964	21.7
95.08598	60.8
97.02893	36.3
97.06519	11.8
97.10166	5.9
98.21484	5.8
99.04436	10.1
103.03948	7.7
105.04454	3.9
105.07037	50.7
107.04919	4.7
107.08583	45.6
109.02882	5.0
109.06526	13.1
109.10154	39.2
111.04439	13.3
111.08066	6.3
117.07004	25.4
119.08566	37.0
121.06533	10.2
121.10144	38.5
123.08106	8.6
123.11687	7.8
125.09612	6.2
127.03913	24.5
128.06210	6.1
129.05446	3.8
129.06990	15.3
131.08569	39.9
132.04440	3.9
132.64668	3.5
133.06525	5.9
133.10127	39.9
135.08043	5.3
135.11687	26.5
137.09578	4.6
137.13330	3.5
139.11192	3.7
141.07072	3.6
142.07780	4.2
143.08556	20.4
145.04955	25.0
145.06383	3.4
145.10112	30.9
146.06044	6.5
147.08052	8.4
147.11668	23.8
149.09622	5.1
149.13235	11.6
155.08516	8.6
157.06535	3.6
157.10173	14.1
159.08029	6.2
159.11693	32.2
161.09631	6.9
161.13272	14.6
163.06021	47.0
163.14857	7.0
167.08536	6.4
169.10129	14.2
171.08026	4.3
171.11723	13.6
173.09572	4.5
173.11818	4.5
173.13211	20.9
174.09116	17.4
175.14731	4.8
177.12769	3.0
179.14285	3.9
181.10094	5.7
183.11705	8.7
184.07367	4.0
185.09615	4.0
185.13234	14.0
187.11176	5.3
187.14848	5.7
192.10242	4.3
195.13849	4.1
197.13307	6.5
198.02539	3.2
199.14812	6.7
201.12726	6.5
203.14455	4.2
209.13304	4.9
211.14824	4.3
213.12714	4.4
213.16432	6.4
215.14221	5.1
229.14279	4.9
249.14670	4.7
255.10658	6.2
257.15164	3.6
259.20560	11.3
261.22192	18.4
263.20157	3.7
269.17603	5.0
271.20840	5.6
273.22223	5.9
277.14343	5.3
277.21658	9.4
279.23007	3.6
285.22113	4.8
289.21655	11.3
291.23196	10.1
295.15424	4.1
302.13947	5.0
303.23154	16.7
313.21515	7.9
315.23117	10.4
319.22421	6.3
327.22998	6.3
333.22244	4.8
338.16025	5.7
341.24924	7.4
345.23886	4.5
351.23099	16.3
368.61469	4.6
369.24280	51.9
387.25305	53.4
405.26385	55.1
406.26431	4.5
423.27466	19.3
439.30499	9.3
497.34711	6.1
547.21710	3.2
601.02991	3.3
634.41241	3.7
662.74835	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	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01873	1.3
55.05508	12.2
57.03438	5.3
57.07064	3.9
60.23983	0.9
60.64526	0.8
61.02923	26.2
65.03950	1.3
67.05503	65.1
69.03419	4.1
69.07061	11.8
70.30814	4.3
71.04980	3.3
71.08610	1.0
73.02909	8.6
79.05487	40.7
81.03419	1.2
81.07055	71.1
82.07361	1.3
82.56589	0.9
83.04961	2.0
83.08619	6.5
85.02897	31.3
85.06525	2.8
88.94392	0.9
91.03954	26.6
91.05477	19.0
93.07040	51.6
95.04963	3.4
95.08604	54.1
97.02892	15.4
97.06503	2.5
97.10170	4.1
99.04456	2.0
99.08071	2.3
105.07032	14.5
107.08586	34.4
108.08967	1.1
109.02878	1.3
109.06514	1.8
109.10152	33.0
111.08084	1.9
113.09637	2.2
115.03975	1.9
117.07019	8.4
119.08579	14.4
121.10131	33.9
123.08077	1.2
123.11691	15.1
125.09663	1.9
127.03931	7.9
131.08568	19.2
133.10133	15.1
135.11690	26.9
135.82141	1.0
137.09677	1.1
137.13240	6.1
139.11143	1.5
145.04955	11.8
145.10117	14.7
147.11707	9.8
149.13251	21.9
151.11180	2.3
151.14790	2.5
153.12738	1.9
159.11667	14.5
161.13228	11.9
163.06020	22.1
163.14819	16.4
165.12721	1.9
167.37263	1.1
173.13251	16.2
175.14810	4.2
177.16321	6.5
179.14314	3.1
187.14850	9.2
189.16374	1.1
191.14320	1.7
201.16371	3.7
205.15904	1.6
215.18024	1.5
233.18901	0.9
233.22620	4.0
243.21077	33.1
261.22125	100.0
262.22522	3.1
263.23688	2.5
271.18991	0.9
278.47052	1.0
279.23218	3.2
301.47937	1.0
332.65326	0.9
335.25812	17.0
338.76810	0.9
353.26862	46.0
354.27249	2.3
439.30661	2.3
497.34567	3.3
524.09570	0.9
554.74207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01868	3.1
55.05511	19.6
57.03443	9.7
57.07054	1.4
59.04985	1.6
61.02918	4.7
65.03931	2.8
67.05502	73.0
69.03434	3.6
69.06720	1.6
69.07065	16.8
70.39751	3.4
71.04994	17.4
73.02897	1.9
79.05490	32.3
81.03432	5.8
81.07056	100.0
82.07419	1.2
83.04973	7.8
83.08619	15.4
85.02909	6.3
85.06532	8.2
87.04470	1.9
91.03986	2.0
91.05477	25.1
93.07042	48.1
95.04959	7.9
95.08608	16.9
97.02888	4.0
97.06523	10.0
97.10168	5.1
99.08082	2.9
105.07024	10.2
107.04923	2.2
107.08586	27.9
108.82473	0.9
109.06525	3.6
109.10144	18.4
111.08083	7.7
117.06998	6.1
119.08610	3.4
121.06493	1.3
121.10145	14.0
123.08083	1.8
123.11680	8.4
125.09647	5.6
126.64583	1.0
127.03876	1.7
129.05472	1.7
131.08556	8.2
133.10127	15.3
135.08044	1.7
135.11676	9.1
139.11124	1.1
145.10132	1.5
147.11681	2.8
149.09697	1.0
149.13257	22.0
151.11208	4.6
159.11679	9.6
163.11165	1.5
173.11716	4.4
177.12755	4.7
183.13840	1.5
187.13324	3.6
193.12228	1.8
195.13799	9.1
199.13313	1.9
209.11739	2.2
213.14864	2.5
227.12822	1.8
229.14336	13.4
239.16315	1.4
239.59846	1.0
267.15964	2.5
269.17477	35.8
270.17990	1.2
283.15347	1.9
292.36453	1.0
301.16428	3.5
301.20093	7.9
400.79202	1.1
423.27441	8.2
437.22824	2.2
437.28986	43.5
438.29312	1.8
451.30557	9.0
463.30521	97.7
464.30756	4.7
495.33810	27.3
513.30481	3.4
621.26996	1.5
720.89056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01868	9.8
55.05267	3.1
55.05512	41.1
57.03431	20.2
57.07080	2.4
59.04993	4.3
59.15809	1.6
61.02931	9.9
65.03946	3.3
67.05504	100.0
69.03433	2.7
69.07067	19.9
69.83524	8.8
69.83932	3.4
71.01344	3.0
71.04987	5.3
72.80338	1.9
73.02908	7.2
79.05492	45.4
81.03416	15.4
81.07054	74.2
83.04990	10.7
83.08619	22.5
85.02908	21.5
85.06538	4.9
87.04463	6.0
87.32830	1.6
91.03987	3.1
91.05482	29.2
93.07038	45.7
95.04964	7.8
95.08602	23.9
97.02882	7.0
97.06542	10.4
97.10156	16.6
98.20763	1.9
99.08102	2.3
105.07038	13.6
107.04975	2.8
107.08594	29.4
109.06519	5.2
109.10152	57.0
111.04500	2.1
111.08079	7.1
113.67455	1.9
117.06992	9.9
119.08590	10.7
121.06490	2.9
121.10162	11.4
123.11749	5.3
125.09618	16.6
129.05528	6.7
129.07030	1.9
131.08580	9.5
133.06482	1.8
133.10132	15.6
135.11694	13.9
137.09619	4.2
143.10719	3.1
144.73634	1.8
145.10130	6.2
147.11702	5.6
149.09612	2.5
149.13251	16.3
153.12764	4.3
155.10706	2.2
159.11740	8.7
163.11156	10.7
165.12799	4.1
173.09598	3.7
173.10313	1.8
173.11740	19.6
177.12733	5.4
181.12225	2.6
185.11877	1.8
191.10675	3.7
193.12273	4.1
193.64610	1.9
195.13803	19.6
196.13074	1.7
199.13359	9.5
209.11780	8.0
211.13353	2.0
213.14902	2.9
227.12782	10.3
229.14326	59.3
229.16556	3.2
230.14769	2.4
239.16452	3.5
267.15878	8.9
269.13220	2.4
269.17477	58.0
270.17847	2.0
283.15579	4.3
301.16425	18.0
393.26471	2.3
411.27469	4.7
423.27356	26.6
477.28815	1.9
495.29568	53.3
513.30615	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	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43703	1.6
53.03944	5.4
55.01867	6.6
55.05262	2.8
55.05508	38.1
57.03432	18.8
57.07061	2.3
59.04988	4.9
61.02916	6.0
65.03933	3.2
67.05502	100.0
69.03416	4.9
69.07061	18.1
71.04985	6.1
73.02905	4.7
79.05492	47.4
81.03415	14.0
81.07053	71.8
83.04987	10.7
83.08610	22.3
83.43406	2.0
85.02905	14.2
85.06552	4.8
87.04453	6.0
90.09766	1.8
91.03954	3.4
91.05480	30.1
93.07037	41.1
95.04966	10.8
95.08598	24.8
97.02930	9.2
97.06512	10.9
97.10166	13.6
99.04489	2.7
99.08101	3.2
101.89495	1.7
103.03889	1.9
105.07033	11.7
107.04959	3.2
107.08588	25.4
109.02863	2.0
109.06510	3.7
109.10150	44.5
111.04386	2.0
111.08083	5.0
117.07021	10.3
119.08571	9.3
121.06544	2.1
121.10126	9.1
123.11697	4.1
125.09634	15.4
127.03983	2.9
129.05463	4.8
131.08566	9.0
133.10130	13.5
135.08057	2.5
135.11705	10.4
137.09641	2.0
145.10085	2.2
147.11734	3.0
149.13263	14.9
151.11180	3.1
153.12779	3.5
157.10095	2.2
159.11694	7.1
161.11598	1.7
163.11174	7.7
165.12822	1.8
173.11723	13.5
177.12764	4.5
181.12256	2.8
191.10707	3.0
193.12262	3.7
195.13799	19.7
199.13303	7.4
209.11771	6.1
211.13228	2.4
213.14854	2.8
227.12775	5.1
229.14339	35.5
257.13840	3.9
267.15982	5.8
269.17459	51.0
269.20200	3.6
283.15320	3.1
297.17072	4.4
301.16434	11.0
411.27637	3.7
423.27386	23.5
495.29514	39.7
513.30493	12.5
669.15894	1.9
714.77637	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01858	1.9
55.05519	9.4
57.03442	10.7
57.83994	0.9
61.02916	3.7
65.03931	1.2
67.05505	32.0
69.03414	1.8
69.07069	13.8
71.04988	4.6
73.02911	1.0
79.05491	19.1
81.03406	2.5
81.07055	88.1
83.04986	7.8
83.08626	9.6
85.02888	3.2
85.06552	5.7
87.04482	1.5
91.05481	23.5
93.07034	14.9
95.04981	3.7
95.08608	19.2
97.06517	7.2
97.10150	2.0
99.08086	5.0
101.06039	1.5
105.06312	1.9
105.07030	35.2
107.04955	2.1
107.08591	15.5
109.06551	7.0
109.10163	2.4
111.08086	2.1
113.06008	1.4
117.07044	2.1
119.08577	30.8
121.06488	1.5
121.10144	21.5
122.62424	1.1
123.08052	6.2
123.11710	30.8
127.03873	1.0
127.07562	3.9
129.06987	1.6
131.08540	2.1
133.10150	2.9
135.08038	1.4
135.11679	1.9
137.13243	2.3
145.10139	3.0
147.11685	76.0
149.13228	2.0
157.10144	3.5
163.11176	2.4
165.12746	30.9
175.11205	3.1
183.13811	3.4
193.12239	2.5
204.61163	1.1
229.14293	7.6
253.34949	1.2
256.16736	1.1
267.15912	79.7
268.16321	1.4
285.16962	100.0
449.29169	1.6
459.27386	1.9
465.22977	1.1
477.28448	18.9
495.29532	77.7
496.29736	1.5
621.32159	1.3
639.33228	1.7
691.45380	1.2
692.26312	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
55.01868	5.5
55.05510	29.7
57.03434	16.1
57.07070	2.7
59.05002	2.4
61.02916	6.1
65.03929	4.0
67.05502	97.3
69.03431	3.9
69.07067	22.0
71.04986	12.0
71.18469	2.8
73.02917	2.2
79.05488	42.7
81.03414	14.4
81.07050	100.0
83.01330	1.3
83.04975	10.7
83.08619	18.7
85.02901	15.1
85.06528	6.4
85.10831	1.3
86.92147	1.3
87.04465	3.5
91.03986	1.9
91.05476	31.8
93.07037	49.2
95.04962	12.8
95.08600	22.4
97.02867	7.2
97.06525	11.3
97.10167	9.9
99.04459	2.7
99.08076	4.0
105.07028	15.8
107.04973	4.1
107.08588	31.2
109.02869	2.0
109.06521	4.6
109.10150	39.3
111.04427	2.5
111.08050	6.3
117.06996	10.1
119.08569	9.4
121.06488	2.5
121.10132	15.4
123.08096	1.9
123.11711	8.6
125.09635	10.9
127.03983	1.3
129.05495	3.9
129.07019	2.5
131.08586	9.5
133.10127	18.4
135.08029	2.9
135.11687	11.3
137.09666	3.2
145.05017	1.3
145.10114	4.9
147.11678	4.9
147.69826	1.3
149.13239	18.0
151.11198	4.7
155.10623	2.4
157.10060	2.4
159.11710	11.8
163.11189	5.1
165.12764	1.9
173.11732	13.2
175.11067	1.4
177.12730	6.4
181.12270	2.3
187.13284	1.8
191.10710	3.1
193.12308	3.0
195.13792	16.2
199.13310	3.8
209.11751	4.9
211.13223	1.8
213.14906	3.7
227.12762	5.1
229.14337	36.3
239.16364	2.7
265.14536	1.4
267.15884	6.7
269.14560	3.2
269.17447	57.7
283.15359	3.7
291.19629	2.1
292.19739	1.8
301.16422	13.5
301.20007	4.4
313.16589	1.3
389.10010	1.3
411.27390	3.4
421.32446	1.4
423.27411	27.7
431.27994	1.5
437.29022	28.0
451.30396	5.3
463.30505	59.1
463.37033	3.1
464.30429	1.6
495.29550	25.2
513.30603	11.8
632.24213	1.7
681.97919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01867	4.0
55.05516	5.8
57.03436	4.9
57.82250	1.0
65.03944	1.7
67.05511	5.7
69.03429	31.9
69.07069	1.1
69.50269	6.7
69.50682	1.7
70.06583	4.1
70.35260	0.9
71.01352	4.9
71.04998	12.3
72.08168	1.6
73.02918	7.3
73.07938	0.8
75.04464	1.0
79.05492	11.6
81.03403	2.8
81.07062	7.1
83.04488	1.6
83.04982	31.0
84.04502	2.4
84.08144	2.5
85.02903	41.6
85.06561	2.7
86.09709	2.4
91.05479	39.0
93.03393	3.3
93.07042	36.2
95.04961	6.9
95.08608	7.4
97.02919	3.0
99.04456	3.4
101.05981	1.2
103.05497	1.8
105.07038	7.7
107.04965	2.7
107.08595	7.9
109.06527	3.2
109.10154	3.3
111.04450	26.6
111.05219	1.8
115.05447	1.3
117.07019	9.7
119.08578	74.6
120.04483	1.7
121.06520	4.0
121.10137	6.3
123.04422	2.5
123.08062	1.9
125.05991	1.9
126.05542	2.8
127.03873	1.2
128.06227	1.9
129.05486	18.0
129.06970	6.3
131.04886	1.3
131.08562	4.1
133.06503	2.0
133.10127	2.1
135.08047	6.6
137.05977	3.0
137.09631	6.9
138.05481	1.6
145.02756	1.2
145.06473	1.4
145.10126	2.4
147.04388	1.9
147.08047	48.1
147.11722	1.7
148.08406	1.1
149.06006	2.1
149.09589	2.1
153.09111	2.3
155.07085	1.5
159.11765	2.3
161.09694	1.5
163.07520	2.0
165.09114	41.7
173.09671	1.4
175.03958	1.2
175.07533	1.4
177.05487	1.9
177.09106	1.0
179.07024	1.1
181.08629	2.9
183.10178	14.3
184.07373	3.8
185.09605	1.2
187.11256	1.1
189.09106	2.2
189.12747	0.9
203.10635	1.3
207.06476	1.2
207.10074	1.6
215.07069	1.0
215.10643	1.2
217.08542	1.1
217.12299	1.6
219.14082	1.2
229.12315	2.3
231.10146	1.3
239.09145	3.6
245.11865	1.3
257.11816	3.1
263.12708	1.1
275.12860	5.2
281.13855	4.2
293.13828	27.4
311.14890	100.0
312.15277	2.8
372.55380	1.2
408.25500	1.5
421.18710	1.5
426.27139	1.0
439.19699	2.0
457.20667	5.6
477.28198	1.4
718.91296	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21079	1.1
52.96356	1.3
53.03935	4.1
55.01867	2.6
55.05249	1.7
55.05512	11.3
56.04987	1.2
57.03444	8.3
59.04990	2.7
60.51467	1.2
61.02925	1.9
65.56493	1.3
67.05503	6.2
69.03432	62.2
69.34985	1.6
69.35392	11.5
70.06573	4.1
71.01362	8.4
71.04989	6.5
72.08134	1.7
73.02902	4.0
75.04477	9.6
79.05494	14.6
81.03410	6.2
81.07064	9.6
83.04984	35.4
83.08614	1.7
84.04492	3.9
84.08127	5.2
85.02907	42.1
86.06053	2.9
86.09691	4.8
87.04475	6.6
91.05481	21.5
93.07043	100.0
95.04982	9.8
95.08602	6.9
97.02890	6.1
97.06524	3.1
98.20750	2.0
99.04462	3.6
105.07024	9.2
107.04967	3.3
107.08585	14.2
109.06512	3.6
109.10155	2.5
111.04452	20.7
111.08080	8.6
113.05954	2.1
116.10703	1.5
117.07005	3.4
119.08579	22.9
120.08107	1.8
120.08914	1.8
121.06516	2.7
121.10143	79.9
122.09390	1.3
122.10407	1.6
123.04446	2.0
123.08060	2.1
123.11701	2.0
126.13919	1.2
126.84248	1.3
127.03912	3.0
129.05475	23.6
129.06967	2.8
130.08635	6.2
131.08589	6.4
133.10126	2.4
135.08044	2.1
136.06245	2.3
136.07524	1.3
137.05956	2.3
138.05481	1.5
139.11185	6.3
145.02861	1.9
145.06563	1.6
145.10091	2.7
147.04419	2.6
147.08015	6.2
147.11688	1.4
148.05061	2.2
149.05899	1.7
149.09610	19.9
157.10089	1.6
159.07962	1.7
162.07603	2.6
163.07654	1.4
165.09093	5.7
167.10686	19.5
175.03914	1.4
177.05510	2.2
181.08614	21.3
184.07391	2.2
191.10732	1.6
207.06726	1.2
214.90370	1.1
255.06233	1.4
259.13290	2.4
267.15866	3.4
277.14297	3.8
295.15399	91.2
296.15735	1.9
303.04956	1.4
304.05353	1.4
311.14841	2.8
313.16443	92.3
314.16858	1.9
400.61526	1.3
402.28342	2.7
457.20795	2.1
475.21729	4.9
477.28876	2.4
578.31482	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	691.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	13.7
55.01868	7.6
55.05507	28.9
57.03418	12.0
58.06334	4.5
65.03916	5.5
66.21875	4.2
67.05506	81.7
69.03430	21.2
69.07063	27.0
69.39973	44.0
71.04985	8.6
74.94652	4.6
79.05495	61.1
81.03416	50.0
81.07051	100.0
83.04983	35.3
83.08608	16.6
84.30157	4.1
85.02892	7.4
85.06575	4.8
86.09701	13.4
89.26377	3.9
91.05481	43.2
93.07042	63.0
95.04951	10.2
95.08613	57.0
97.02891	16.0
97.06522	6.6
97.10172	7.6
97.61250	4.2
98.20756	8.6
99.04446	5.6
100.50562	4.0
101.96323	4.2
103.47585	5.2
104.55333	3.9
105.07039	35.2
107.04975	4.9
107.08609	35.0
109.02894	11.0
109.06541	6.4
109.10168	24.2
111.04433	6.4
117.07013	20.4
118.83297	3.9
119.08586	24.6
121.10136	25.0
123.11694	10.8
124.99998	6.2
127.03878	9.4
129.05472	13.8
129.07050	8.0
131.08533	22.8
133.10143	20.5
135.11679	11.9
143.08559	8.3
145.10121	17.8
147.08113	5.0
147.11690	17.7
149.09607	4.8
149.13266	20.2
152.05722	21.5
155.08591	5.6
157.10149	5.2
159.11685	14.9
162.07784	8.9
163.08055	4.5
165.12766	9.0
173.13284	6.1
175.14972	4.9
177.12752	6.9
181.10043	5.0
184.07346	37.4
195.13857	8.2
209.13341	6.0
261.22220	12.6
267.15875	9.6
269.17505	16.5
272.13364	4.2
335.25812	17.6
337.27496	6.3
369.24252	10.4
405.26587	5.8
413.21948	6.2
529.38953	29.5
547.39935	6.1
673.42615	8.4
690.22791	4.5
691.43201	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.5
55.01856	7.5
55.05508	27.7
57.03432	17.2
57.07074	5.5
65.03937	3.8
67.05502	94.2
69.03423	26.8
69.07061	28.3
71.01343	4.7
71.04994	11.2
71.58870	4.1
79.05484	58.5
81.03419	58.4
81.07050	100.0
82.69057	2.6
83.04982	29.3
83.08619	17.3
85.02876	4.5
85.06543	5.4
91.05471	47.9
93.07035	67.9
95.04971	17.9
95.08600	54.3
97.02888	20.4
97.06532	8.1
97.10178	8.0
99.04451	6.1
101.02403	3.0
103.03913	3.2
105.07027	44.7
107.04972	4.3
107.08582	32.5
109.02885	8.6
109.06496	6.9
109.10175	23.3
111.04469	8.2
111.08092	6.5
115.05501	2.7
117.07021	18.2
119.08573	27.9
121.10119	24.0
123.00578	2.3
123.08166	3.0
123.11716	11.6
127.03925	8.3
127.78233	2.4
129.05473	11.1
129.06995	12.8
130.07896	2.9
131.08530	23.3
133.06520	4.2
133.10127	22.7
135.08022	3.5
135.11649	16.7
137.13263	2.8
141.06973	4.6
143.08559	8.7
145.06522	3.2
145.10149	15.8
147.08047	4.6
147.11702	24.5
149.13243	15.4
150.11743	2.5
151.77306	2.5
155.08617	4.7
157.10168	8.0
159.08080	3.5
159.11668	20.4
161.13263	7.6
163.11226	3.9
163.14865	3.5
165.12724	5.5
169.10274	4.7
171.11743	6.2
172.95863	2.6
173.13306	9.4
175.11240	2.8
175.38489	2.9
177.12785	5.5
179.08588	2.5
181.10303	2.8
183.11800	5.5
184.07495	3.1
185.13225	3.1
193.12206	3.1
195.13805	10.8
197.13290	4.6
220.74777	2.7
261.22131	11.5
262.74530	2.6
267.15924	10.9
269.17563	21.9
285.17114	3.8
292.19879	3.1
300.38101	2.6
301.21637	2.7
335.25827	21.2
337.27496	9.8
339.18060	4.6
350.47934	3.0
351.23270	4.3
369.24240	5.9
378.35190	3.1
411.20065	2.9
461.29089	4.1
479.30389	5.3
529.38733	32.0
547.39465	7.0
673.42596	10.8
691.42157	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.1
60.08175	1.1
61.02929	6.7
63.25400	1.1
65.49747	0.9
67.05504	11.5
69.03426	3.0
69.07067	1.6
69.51549	1.1
73.02920	3.0
74.31149	1.3
79.05484	3.1
81.03420	2.7
81.07063	7.8
83.08616	1.4
85.02893	5.2
86.09696	2.1
91.03962	2.7
91.05444	2.2
93.07033	4.0
95.04952	1.4
95.08606	5.3
97.02879	2.9
98.98469	1.3
101.02369	2.5
105.07041	3.0
107.08583	3.2
109.10164	3.7
112.23935	1.0
119.08514	1.9
121.10128	2.0
127.03903	1.4
131.24385	1.2
133.10117	1.6
135.11752	2.1
137.09593	1.1
145.10013	1.1
184.07390	4.3
185.07726	1.8
243.08423	1.6
413.17834	4.3
519.29303	8.6
519.36633	1.6
553.58087	1.3
691.40222	100.0
692.40564	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	691.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01873	24.1
55.05517	36.2
57.03444	21.2
60.32686	4.0
61.02929	56.5
65.03906	3.7
67.05509	63.0
69.03427	44.1
69.07082	34.8
71.04987	11.6
71.57922	4.2
73.02922	19.0
76.02252	3.8
79.05493	67.0
81.03445	26.5
81.07053	65.7
82.63920	3.3
83.04978	15.2
83.08614	31.0
85.02908	61.6
85.06499	3.6
91.03962	35.8
91.05476	49.3
93.07050	53.9
95.04986	18.4
95.08611	32.4
97.02888	44.0
97.06520	33.3
97.10178	36.2
99.04429	9.0
99.08070	5.1
101.02390	4.6
103.05379	4.2
105.07027	42.9
107.04943	17.9
107.08588	59.8
109.02872	11.5
109.06536	8.2
109.10143	21.7
109.67809	3.5
111.04469	4.1
111.08084	4.9
115.03970	3.5
117.06994	18.5
119.08567	31.4
120.04457	6.8
121.06522	10.4
121.10159	20.8
123.11713	9.4
125.09648	32.9
127.03966	21.8
129.07060	6.1
131.08521	18.2
133.06442	5.2
133.10153	31.5
135.08070	11.5
135.11678	11.2
136.06186	4.0
140.74080	4.0
145.04936	14.6
145.06345	4.1
145.10161	24.4
147.11720	17.8
149.09642	32.3
149.13255	6.8
151.11215	6.2
157.10216	5.9
159.11708	13.3
161.13264	8.1
163.06036	5.5
163.11171	14.4
165.09210	5.9
171.10205	8.5
171.11610	7.4
173.09718	4.4
173.13289	8.5
177.12709	7.9
179.14265	3.6
187.11189	5.5
187.13187	3.9
189.11220	33.6
195.13710	5.6
227.12779	30.2
229.14325	9.3
239.17903	4.4
245.13814	20.1
253.17978	7.3
257.19116	18.6
269.17545	12.4
275.20065	78.1
293.21106	6.3
303.04987	7.1
349.23721	100.0
367.24814	36.5
391.24811	9.9
475.27533	4.2
493.27878	6.6
498.03036	4.1
511.28888	6.3
601.64667	4.3
691.39832	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	690.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05536	0.4
56.05019	1.1
58.06580	0.5
60.08162	6.7
65.86575	0.4
67.05498	0.7
70.26793	1.5
71.07356	3.0
78.31117	0.4
81.07057	0.6
86.09706	34.5
91.05473	0.5
95.08625	0.6
98.98465	3.5
104.10744	2.6
105.36967	0.4
114.08083	0.4
114.10232	0.4
116.26016	0.4
125.00004	21.7
156.92540	0.5
159.97577	0.4
183.41345	0.5
184.07341	100.0
290.03680	0.5
690.47430	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	691.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.7
54.50085	4.2
55.01870	13.9
55.05509	29.7
57.03435	22.4
57.46643	4.9
61.02927	65.1
67.05505	64.1
69.03426	39.0
69.07068	25.4
71.04987	12.1
71.47656	3.8
71.58939	6.1
73.02919	32.5
75.21876	3.6
76.83356	3.9
78.90196	4.5
79.05490	62.0
81.03414	43.8
81.07055	100.0
83.04993	21.1
83.08606	16.2
84.04492	6.5
85.02896	88.8
91.03957	35.1
91.05480	61.7
93.07040	66.1
95.04973	22.0
95.08614	40.9
96.87174	3.7
97.02893	61.6
97.06529	18.5
97.10156	6.7
99.04451	11.2
101.02348	5.2
103.05450	5.9
104.64046	4.5
105.07030	60.0
107.04964	16.9
107.08596	37.7
109.02878	15.7
109.06503	10.0
109.10143	18.4
111.04426	6.7
111.08029	8.9
117.07010	21.4
119.04928	19.1
119.08580	51.8
120.04407	7.2
121.06514	4.8
121.10126	25.4
123.04426	5.1
123.08083	11.6
123.11719	7.4
127.03912	34.7
129.05510	6.0
129.06982	8.7
131.08585	24.0
133.06526	5.7
133.10120	42.9
135.08057	10.2
135.11673	14.6
137.05994	4.3
137.09593	4.6
143.08554	11.7
145.04948	15.4
145.06377	3.5
145.10109	33.2
147.04396	14.8
147.11688	29.9
149.09622	16.9
149.13266	19.7
151.11203	8.2
155.08546	5.1
157.10104	12.6
159.08063	5.9
159.11699	18.2
161.13301	11.4
163.11171	12.2
165.12665	7.0
165.95995	3.8
169.10153	4.9
171.11658	9.7
173.04446	5.4
173.06070	4.1
173.09589	5.4
173.13284	7.3
175.03925	26.0
175.11192	8.3
177.12733	13.5
180.56021	4.2
183.06541	9.4
183.11714	5.7
187.11153	4.5
187.14827	4.6
195.13789	17.5
207.06519	46.0
213.14821	5.1
229.19392	5.5
239.18007	5.6
245.13895	4.9
247.20602	4.9
257.18988	8.7
269.17496	63.6
275.20078	67.3
293.21085	8.7
338.60983	4.6
349.23721	76.7
367.24884	41.0
391.24451	8.4
413.21674	10.1
493.28085	5.3
511.28732	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	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.8
55.01866	9.3
55.05511	34.0
57.03431	16.2
61.02912	7.1
67.05169	6.6
67.05505	78.9
69.03440	26.6
69.07064	31.6
71.04980	12.5
71.57924	3.6
71.58372	7.9
73.02916	6.3
79.05489	69.8
81.03421	86.7
81.07056	100.0
83.04990	23.2
83.08609	16.1
85.02892	13.6
85.06539	7.2
86.09691	13.0
91.04964	7.0
91.05479	70.2
93.07043	66.1
94.07394	3.5
95.04984	22.0
95.08611	49.3
97.02886	36.4
97.06516	9.2
97.10130	5.8
99.04443	9.3
105.07027	55.4
107.04935	7.1
107.08595	31.4
109.02894	15.3
109.06526	6.5
109.10140	22.2
111.04463	9.2
111.08090	8.4
117.07005	30.3
119.08580	36.9
121.06500	4.0
121.10162	31.0
123.11716	9.8
125.00003	8.5
125.09673	6.0
127.03915	15.2
129.05519	6.0
129.07016	16.2
131.08572	30.3
133.10117	26.8
135.08080	4.7
135.11707	16.0
140.31322	4.4
141.07010	6.2
143.08571	21.3
145.06441	6.0
145.10118	30.1
147.08047	4.6
147.11661	29.8
149.13237	18.9
155.08530	10.9
157.10167	24.6
159.11693	22.7
161.13298	9.5
163.11179	6.8
163.14832	4.7
165.12825	6.8
167.08641	6.4
169.10132	19.2
171.11696	15.5
173.04477	16.6
173.13280	10.3
175.11284	6.7
177.12772	6.6
181.10103	7.9
183.11693	15.3
184.07372	37.7
185.07726	8.5
185.13266	12.2
187.14851	8.0
187.37389	3.9
193.12233	6.4
195.11731	6.4
197.13316	10.0
199.14836	5.9
209.13304	7.9
211.11305	6.5
211.14828	5.9
211.78557	4.1
221.13278	6.5
235.11140	4.8
241.19492	6.7
243.21007	4.4
259.20517	13.2
261.22168	6.6
267.15942	14.1
269.17459	7.2
273.55554	4.5
275.19995	8.4
335.25879	15.4
435.32550	9.3
453.33484	8.0
471.34579	6.1
500.54108	4.3
509.36469	4.7
525.35516	6.1
527.37360	71.6
529.37958	4.6
545.38202	9.0
567.44849	4.3
635.38037	4.9
645.85858	5.4
653.39862	6.9
671.41797	18.6
689.42456	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	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20034	2.2
53.03940	12.4
53.91884	1.5
55.01870	8.8
55.05510	35.3
57.03429	16.6
57.07074	8.4
61.02923	11.2
65.03932	3.6
67.05503	74.4
68.05849	2.0
69.03429	27.8
69.07065	24.8
70.27200	3.7
70.27596	3.4
71.04984	14.5
73.02905	4.5
79.05490	63.4
80.05830	1.8
81.03415	100.0
81.07055	91.1
81.07439	1.0
83.04992	19.8
83.08624	12.8
85.02916	15.1
85.06556	4.6
91.03959	3.2
91.05479	55.2
92.05811	2.6
93.07038	60.5
95.04948	16.7
95.08604	47.0
95.09172	3.7
97.02892	39.3
97.06547	9.1
97.10159	5.9
97.34089	1.8
97.46377	1.9
99.04453	11.0
99.08081	3.3
100.50853	2.1
105.07032	47.5
107.04939	5.4
107.08583	34.4
109.02885	14.8
109.06522	6.6
109.10155	16.8
111.04454	5.5
111.08076	4.1
115.05447	4.6
117.07010	24.5
119.08582	36.3
121.06528	4.5
121.10146	21.9
122.10447	2.2
123.08075	7.1
123.11695	9.9
127.03912	13.7
128.06229	5.4
129.05486	4.7
129.06995	17.5
130.07829	2.6
131.08557	35.2
133.06473	3.5
133.10124	26.3
135.08046	6.1
135.11661	11.4
137.09601	3.2
137.13258	2.4
139.11185	2.2
141.06960	10.6
142.07755	5.2
143.08542	20.6
145.06500	5.3
145.10120	26.7
147.07990	3.9
147.11693	25.3
149.09639	2.5
149.13251	8.5
151.11237	2.2
154.07805	2.1
155.08560	13.1
157.10124	19.3
159.11684	20.9
161.09615	3.0
161.13243	11.2
163.11174	4.1
165.12741	8.6
167.08519	3.6
168.09288	3.0
169.10153	14.2
171.08043	3.4
171.11700	13.5
173.04477	15.2
173.05756	2.8
173.09695	2.0
173.13321	12.3
175.11227	2.4
175.14825	5.6
177.12796	4.6
179.08556	3.2
181.10094	6.2
183.11720	13.9
185.09610	2.1
185.13164	11.7
187.14844	4.2
192.05406	1.7
193.10027	2.4
193.12209	4.0
195.11717	6.2
195.13725	4.3
197.09698	2.3
197.13225	8.6
199.06158	2.0
199.14838	5.0
207.11739	2.2
209.13326	3.5
211.13289	4.8
211.14987	3.2
219.11739	1.8
221.13202	3.6
223.14899	2.8
225.16418	3.3
237.16530	2.4
241.19609	6.0
253.15855	2.3
256.01871	1.9
257.19049	2.8
259.20538	9.9
261.22119	5.0
267.15952	9.7
269.17468	6.6
277.21817	2.9
285.16937	2.8
297.22147	2.5
301.21799	2.9
315.23187	2.2
333.24225	4.6
335.25690	7.5
337.16675	3.6
339.23087	2.6
341.24789	2.2
351.23083	2.5
369.24057	2.8
411.19879	2.6
413.21848	3.7
417.31729	3.4
435.32584	5.3
453.33517	6.7
471.34503	4.8
509.36206	3.9
517.38794	4.5
525.35248	2.1
527.37329	60.8
528.37433	6.1
529.39069	2.9
545.38202	9.4
635.39557	4.3
653.39832	5.4
671.40930	6.7
689.42615	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	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
55.01867	6.4
55.05508	32.2
57.03436	13.7
57.07067	3.8
60.08151	8.3
61.02927	8.5
65.03951	7.6
67.05505	56.3
69.03442	20.3
69.07073	26.0
69.35182	7.7
69.35602	19.6
71.04983	8.7
71.07346	4.1
73.02894	7.7
79.05497	43.4
81.03419	48.1
81.07063	59.2
83.04985	13.1
83.08615	13.6
85.02904	19.8
85.06534	5.1
86.09711	36.6
91.03937	3.5
91.05482	46.3
93.07050	54.3
95.04978	11.5
95.08613	43.0
97.02886	25.2
97.06525	6.5
97.10175	5.3
98.98462	6.0
99.04453	4.8
99.08103	2.7
99.31091	2.4
101.02383	2.6
103.03926	5.6
104.67043	2.5
105.07039	44.5
107.04955	5.1
107.08588	29.7
109.02875	7.6
109.06506	7.9
109.10180	16.7
111.04451	7.0
111.08080	4.0
113.82193	2.4
115.05468	5.5
116.11289	2.5
117.07026	27.2
119.08584	31.2
121.06495	6.3
121.10164	22.9
123.08049	3.6
123.11704	5.8
124.99200	3.2
125.00012	27.6
127.03893	9.8
128.06215	7.6
129.05537	5.1
129.06998	22.6
131.08572	40.6
133.10130	27.0
135.08148	4.0
135.11696	10.9
135.26622	2.6
139.75525	2.6
139.83649	2.5
141.07013	8.7
142.07774	5.6
143.08556	29.0
145.06650	2.9
145.10121	27.1
147.11713	20.1
147.67172	2.6
149.09645	4.3
149.13258	7.7
153.07043	3.1
154.07785	2.8
155.08574	20.6
156.09375	3.4
157.10147	28.3
159.11694	20.2
161.13266	9.6
163.11166	4.4
163.14783	4.0
165.06996	3.6
165.12735	4.0
167.08557	7.5
168.09271	4.2
169.10167	21.8
171.11708	21.1
173.04489	7.0
173.13271	9.9
175.11195	4.7
175.14783	7.4
177.12762	4.6
181.10112	10.8
183.11723	22.6
184.07349	100.0
185.07678	20.1
185.09360	3.5
185.13271	14.0
187.14798	4.9
193.10114	6.2
195.11671	9.4
195.13638	5.0
197.13342	14.4
199.14856	10.4
201.16403	3.3
207.11769	3.3
209.13245	8.1
211.14883	5.5
213.16371	3.8
221.13301	5.8
223.14894	4.7
239.17862	3.1
257.19046	3.0
259.20627	4.1
261.22095	2.8
266.25241	3.0
269.17383	3.0
301.21701	2.8
309.22110	3.3
311.23700	3.1
315.23135	4.1
318.87732	2.6
327.23245	3.0
333.24435	6.3
335.25919	2.9
341.24783	3.2
398.13300	3.0
399.14575	5.6
400.15298	10.0
412.15677	3.5
413.16113	7.9
414.16425	6.4
427.17770	5.2
428.18231	6.3
429.18863	4.4
435.32584	17.6
441.15521	4.1
442.16309	4.8
453.33624	10.8
455.17188	11.3
456.17810	5.9
471.34750	4.5
483.16873	14.3
484.16760	4.3
499.15625	4.4
509.36414	8.8
525.34845	4.9
527.15320	6.5
527.37311	80.1
527.45355	4.3
528.15826	4.7
528.37451	4.5
539.19519	4.0
543.22266	7.6
543.36310	4.1
545.38275	5.3
571.21924	32.4
572.21997	10.1
602.23767	24.0
603.23651	5.9
629.22125	10.9
630.22736	12.0
635.39465	6.2
653.40173	8.4
657.21881	12.8
658.22333	4.0
671.41339	12.2
689.24591	6.8
689.42676	42.1
690.43109	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	689.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01875	6.7
55.05511	19.2
57.03431	10.5
61.02922	29.4
61.53936	1.4
65.03934	2.5
67.05501	25.4
69.03429	26.1
69.07064	19.0
69.11506	1.4
69.25050	17.1
70.06585	2.3
71.01335	2.0
71.04991	5.6
73.02903	11.0
79.05490	24.3
81.03415	27.0
81.07057	27.1
83.04989	5.8
83.08609	10.1
84.80967	1.2
85.02902	37.5
85.06542	2.6
91.03954	15.0
91.05473	22.7
93.07046	24.9
95.04974	13.4
95.08606	12.9
97.02888	39.4
97.06522	5.4
97.10161	8.2
99.04443	8.2
100.87498	1.5
101.02396	4.2
103.03934	3.5
105.07024	17.5
107.04942	12.4
107.08574	16.1
109.02872	10.7
109.06512	4.3
109.10150	11.5
111.04449	3.5
111.08106	3.9
113.06046	1.4
113.74922	1.5
115.03924	1.6
117.06998	6.8
119.04961	1.6
119.08585	14.8
121.06500	4.5
121.10106	9.5
123.04457	3.5
123.08057	5.5
123.11667	1.5
125.09625	9.2
127.03905	15.1
129.05492	2.5
129.06969	7.4
131.05026	2.5
131.08582	10.5
133.06505	4.9
133.10124	15.3
135.08055	6.3
135.11678	2.0
137.09581	2.3
143.08527	3.5
145.04973	7.0
145.10115	8.8
147.04417	2.6
147.08061	6.2
147.11668	3.3
149.09633	6.5
149.13277	1.7
151.11198	5.9
153.09103	1.8
155.07199	1.5
155.08598	2.9
157.10136	3.6
159.08015	2.8
159.11685	2.7
161.09634	4.1
163.05972	1.6
163.11147	3.2
165.09140	4.3
169.12256	1.8
171.11597	1.9
175.11244	4.2
177.12735	2.5
183.06584	4.4
189.09549	1.7
189.11234	8.9
189.12753	2.4
191.10574	2.0
193.12253	5.8
210.46161	1.7
211.13303	5.4
223.13297	14.0
227.12703	3.2
227.17952	1.7
235.13248	2.7
245.19173	2.4
249.14899	4.5
253.14426	4.8
255.17358	3.2
267.15909	3.2
269.13782	3.3
273.18469	17.9
275.13956	4.9
285.16827	2.1
291.19534	100.0
292.19858	2.3
302.04031	3.0
317.06598	6.3
347.22134	8.8
365.23187	36.8
389.23218	2.1
393.22775	2.2
411.20224	2.0
413.75150	1.5
473.25348	1.8
491.26520	2.5
492.25876	1.8
509.27365	5.9
527.28235	4.2
585.28894	5.6
641.34967	1.7
689.33698	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	689.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55799	1.1
53.03934	1.3
54.90145	0.9
55.05505	6.1
57.03418	2.2
57.07065	1.9
60.46970	1.0
65.03951	1.0
67.05505	11.3
68.67793	0.8
69.03415	3.4
69.07076	5.5
69.34809	9.5
78.64612	0.9
79.05492	11.8
81.03437	6.7
81.07055	11.9
83.02363	1.1
83.04975	2.5
83.08617	2.1
85.02892	1.8
86.09695	3.8
91.05468	8.8
93.07043	10.9
95.04951	3.7
95.08601	8.0
96.78471	0.9
97.02879	2.3
97.06535	1.1
97.10115	1.3
98.18964	1.0
98.20810	2.3
100.25802	0.9
105.07014	8.8
107.04950	1.2
107.08584	6.9
109.02888	2.7
109.06511	1.8
109.10143	3.7
117.07018	4.2
119.08568	5.7
121.06485	1.3
121.10084	5.4
125.00005	3.3
127.03899	2.3
128.06223	2.0
129.07008	3.6
131.08585	7.3
133.10139	5.6
135.11632	2.5
139.51880	1.0
141.06943	1.6
142.07744	1.0
143.08569	5.4
145.10121	6.7
147.11682	3.5
149.09593	1.6
149.13243	1.1
155.08456	1.9
157.10153	5.8
159.11668	3.8
161.13298	1.3
167.08582	2.3
169.10097	4.4
171.11673	4.4
173.13339	2.1
175.11147	1.4
181.10175	1.3
183.11678	3.9
184.07343	17.3
185.07690	1.3
185.13280	3.3
195.11688	1.6
197.13284	2.0
199.14803	1.1
207.11743	1.6
209.13200	1.4
211.14937	1.3
223.14828	1.3
237.16467	1.3
333.24112	1.2
338.17947	1.2
338.37244	1.1
373.00772	1.0
384.11984	3.6
385.12662	4.6
386.13843	1.9
397.12787	2.7
398.13712	8.8
399.14551	16.7
400.15506	21.5
401.15952	1.7
403.14935	1.2
411.14478	2.7
412.15402	8.0
413.16156	20.0
414.16895	12.5
416.14774	3.5
418.17487	2.6
424.15424	1.3
425.16422	1.8
426.16940	3.0
427.13098	2.9
427.18445	10.5
428.18622	15.3
429.19403	11.0
430.16858	1.2
435.32706	2.8
439.17645	1.2
440.14609	2.4
441.14697	5.1
442.16336	14.5
444.14029	2.0
445.19037	2.0
446.17102	3.4
453.33289	1.0
455.17178	36.4
456.17825	15.7
457.14456	2.6
458.16089	5.4
459.16666	6.5
469.14639	3.0
471.17136	1.2
472.17847	2.0
473.18289	1.6
479.13269	1.2
481.15189	2.2
483.16660	30.9
484.16693	4.0
486.19339	2.1
487.16150	4.2
488.16498	2.7
495.16489	1.6
499.16025	8.3
501.17386	1.4
511.19321	3.5
513.14142	1.3
515.19666	1.6
516.19910	1.5
517.19159	1.2
523.16028	2.5
527.15472	26.5
527.37225	5.7
528.15826	5.8
537.17456	2.9
539.19458	11.5
540.19360	1.2
543.22491	17.3
555.18951	2.3
569.20209	2.1
571.21893	100.0
572.22241	5.2
574.24408	8.5
587.20648	1.8
601.22876	10.1
602.23730	44.8
603.23798	3.3
615.20587	2.4
617.25726	2.6
629.22382	37.4
630.22980	21.5
633.25391	1.3
635.39410	2.0
643.23315	1.9
653.39337	1.9
657.21912	57.1
658.21704	3.3
661.24585	4.1
671.41351	4.2
689.24518	15.5
689.42242	11.7
690.24518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.4
55.01867	18.7
55.05507	33.2
56.05797	2.7
56.87635	2.7
57.03429	12.2
57.07095	3.1
60.55803	2.9
64.80324	2.6
65.03925	8.4
65.21133	2.5
67.05503	84.4
69.03429	25.6
69.07064	39.7
71.04984	11.0
71.31598	6.0
79.05495	84.7
79.05960	4.2
81.03419	66.7
81.07058	100.0
83.04982	16.2
83.08615	20.5
85.02914	9.4
85.06528	5.4
89.01821	2.6
91.05476	73.9
93.07046	65.8
95.01321	4.2
95.04964	21.8
95.08599	50.1
97.02883	17.7
97.06539	20.0
97.10168	10.0
99.04441	6.9
99.08109	3.3
103.03975	2.7
105.07027	66.8
107.04945	19.8
107.08584	51.5
109.02874	11.5
109.06515	14.1
109.10147	15.5
111.04434	7.4
111.08060	6.4
115.05441	5.2
117.07014	32.5
119.08583	37.3
121.06497	8.0
121.10141	21.2
121.86235	2.4
123.04445	2.9
123.08095	7.3
123.11649	6.6
125.09630	8.1
127.03911	12.2
128.06238	3.1
129.07016	13.6
130.07788	4.1
131.04953	3.8
131.08575	32.8
133.06497	7.4
133.10126	32.7
135.08051	9.5
135.11694	14.7
137.09592	4.5
141.06961	8.1
142.07823	3.5
143.08572	15.5
145.06447	7.7
145.10129	31.4
147.08023	4.2
147.11674	25.0
149.09612	14.4
149.13269	13.2
151.11136	4.4
155.08548	10.3
156.10556	3.2
157.10127	14.2
159.08051	7.1
159.11714	19.7
161.13239	7.2
163.11154	11.0
165.12776	3.0
167.08560	4.3
168.09303	4.0
169.10123	10.3
171.08109	3.8
171.11679	13.0
173.04503	7.4
173.09532	3.0
173.13274	9.5
175.11093	4.3
175.44691	2.7
177.12730	11.4
179.14336	7.5
180.62813	2.6
181.10100	4.1
183.11716	9.6
184.07361	8.6
185.13255	6.6
187.11237	5.1
189.11238	6.6
190.77599	2.5
193.12236	3.4
195.11717	4.8
195.13766	6.5
197.09653	3.9
197.13248	5.4
199.11288	3.8
201.12732	3.5
205.12213	3.3
207.11787	3.6
209.13365	3.5
213.12796	3.8
219.13803	5.1
227.12772	3.3
233.15512	4.4
239.17915	4.7
247.20642	4.2
257.19061	10.7
269.17569	7.6
273.18411	3.6
275.20068	56.5
293.21188	7.1
303.15952	3.5
331.22656	4.9
337.21655	3.7
339.17999	6.1
349.23804	5.8
365.21078	4.0
383.22226	3.0
395.20639	7.1
396.76825	2.9
397.02243	2.6
401.23184	4.7
451.32062	4.3
525.35687	10.7
543.36682	12.1
651.38361	7.6
669.39368	6.0
687.40961	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01876	1.2
55.05512	2.4
57.03446	1.1
67.05497	4.6
69.07056	1.8
69.66539	1.0
71.58315	1.2
71.88738	1.2
79.05499	4.0
81.03414	1.7
81.07054	5.9
91.05477	3.2
93.07050	2.9
95.08637	2.0
102.87617	1.0
105.07083	2.6
107.08595	2.3
109.06505	2.0
119.08582	2.0
129.07048	1.2
129.45515	1.0
131.08577	1.7
133.10152	1.2
143.20341	1.0
145.10115	2.9
149.09631	1.3
152.69691	1.0
160.07637	1.4
172.07552	1.9
184.07413	1.1
186.01973	1.0
195.09210	1.3
197.10738	1.3
209.10753	5.9
210.11522	2.6
211.12366	2.5
213.06587	1.3
213.10152	1.4
222.11452	1.7
223.12180	6.2
224.13043	5.0
225.13896	2.9
227.08247	1.4
232.09770	1.9
235.12289	2.0
237.10229	2.6
237.13878	13.9
238.14735	6.5
239.15456	3.5
241.09630	1.3
247.12543	1.0
249.13887	1.9
251.11922	1.9
253.13408	2.4
255.07582	1.4
265.13364	9.3
266.14163	5.1
267.14981	2.9
273.12430	2.1
275.20093	2.3
297.12408	3.2
299.10574	1.2
300.14890	1.2
301.11865	1.2
309.15820	1.6
315.13522	4.4
325.12115	1.8
325.15475	10.2
326.16348	1.9
327.17090	3.8
328.14441	1.5
328.17883	1.3
343.12964	1.5
388.20422	2.0
393.17258	1.7
400.16275	2.0
402.21826	1.3
404.23557	1.7
409.20172	1.2
414.17581	1.1
423.22217	1.2
430.21237	1.3
433.20465	1.2
438.20609	1.4
461.19315	1.1
477.19028	1.2
481.22183	1.7
482.23401	1.5
490.23163	1.3
491.22733	1.6
497.25699	1.7
506.23071	1.6
507.23654	3.9
521.25500	1.9
524.23956	1.9
525.24994	5.0
535.23737	2.0
539.26276	3.1
549.24536	3.2
553.24963	1.5
567.26373	5.6
579.26154	1.6
595.25421	3.6
606.80981	1.2
609.27161	18.5
611.27332	1.5
613.27606	1.3
627.28149	37.0
637.26239	2.0
650.54620	1.2
655.27637	100.0
656.27454	1.9
687.29803	2.4
687.40485	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01880	1.3
55.05507	11.5
57.03434	13.0
57.07068	1.7
59.04989	3.9
61.02912	4.8
63.11418	1.2
65.03918	2.5
67.05503	96.9
68.79060	1.2
69.07081	6.9
70.53779	1.8
70.54123	3.7
71.04973	3.0
77.95440	1.0
79.05492	19.9
81.03432	1.4
81.07059	36.8
81.07528	2.6
83.06710	1.0
83.08613	7.4
85.02897	3.5
85.06523	3.8
91.03910	1.2
91.05478	13.0
93.07043	21.7
95.04945	2.3
95.08599	23.1
97.02863	2.5
97.06542	1.4
97.10155	1.8
99.08076	1.4
104.02044	1.3
105.07001	7.7
107.08596	15.8
109.10153	74.4
111.08085	4.6
117.07008	2.7
119.08585	12.7
121.10135	7.5
123.11693	3.2
125.09628	1.8
131.07700	1.1
131.08578	6.7
133.10187	5.7
135.11687	6.0
137.09634	2.8
145.10120	4.2
147.11703	3.0
149.13243	3.3
155.10692	3.7
159.11693	4.0
161.13206	2.1
163.14848	3.1
173.11775	25.6
173.13257	3.9
187.14758	2.3
200.31242	1.1
227.12752	4.7
229.14348	100.0
230.14738	1.3
238.92075	1.3
243.21121	4.0
261.22165	16.5
317.24744	2.6
335.25793	68.9
343.80038	1.2
395.60962	1.3
436.03381	1.1
489.35809	34.1
490.36005	2.1
507.36807	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	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01873	1.2
55.05508	12.6
57.03438	12.6
57.07076	3.4
59.04999	4.4
61.02923	4.8
65.03954	4.0
67.05505	100.0
67.54063	0.7
69.03405	1.6
69.07069	9.6
71.04991	3.4
71.08633	1.3
72.64639	0.6
73.02933	1.9
79.05489	23.0
81.03420	2.0
81.07057	43.5
83.05008	1.4
83.08616	9.4
85.02899	6.0
85.06553	3.1
91.03959	1.4
91.05480	15.3
93.07043	28.4
95.04958	4.1
95.08604	29.7
97.02923	2.5
97.06543	2.2
97.10174	3.2
98.20768	1.3
99.08123	1.0
103.03992	0.8
105.07032	8.3
107.05003	0.9
107.08598	15.2
107.09301	1.2
109.06509	1.5
109.10154	78.7
111.08069	3.5
117.07009	4.0
119.08572	12.5
121.10148	11.3
123.08067	0.8
123.11653	3.5
125.09656	1.8
131.08563	5.2
133.10115	6.0
135.11673	6.6
137.09592	4.4
137.13257	1.3
145.10135	4.2
147.11729	3.3
149.13251	4.8
155.10690	3.2
159.11707	2.9
159.43594	0.8
161.13289	3.2
163.14883	2.6
173.11769	24.4
173.13313	4.0
175.14882	1.8
177.16510	0.8
187.14853	1.8
190.15492	0.8
227.12877	2.7
229.14352	75.9
230.14709	1.3
243.21034	5.1
261.22150	16.1
261.24844	1.0
287.05576	2.3
287.11270	0.8
317.24969	3.2
327.30811	0.8
335.25803	66.5
336.26245	0.9
367.92401	0.7
376.25519	0.8
471.34714	1.0
489.35748	43.7
490.35971	1.1
507.36810	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66170	0.3
55.05479	0.3
56.05028	0.5
56.54399	0.2
60.04525	3.4
62.69112	0.2
67.05533	0.3
69.03429	0.5
69.07052	0.6
70.02923	0.4
70.06589	2.8
70.60789	0.8
72.08145	0.7
79.05473	0.4
81.03372	0.3
81.07044	0.7
81.50762	0.3
82.06609	0.3
83.04945	0.3
84.04516	0.7
84.08146	0.9
85.02901	0.8
86.09708	29.2
87.05584	0.7
91.05466	1.7
93.07076	1.3
95.04993	0.5
97.02902	0.5
98.02435	0.3
98.09689	0.7
103.05453	3.0
105.07005	1.0
107.04977	0.4
116.03499	0.3
118.06636	0.3
119.05000	0.5
119.08603	0.5
120.08107	100.0
121.08437	0.9
121.10120	0.5
124.03944	0.4
126.09193	0.7
127.12331	0.5
128.10754	0.6
129.10223	0.6
130.06520	0.5
131.04903	0.8
131.38806	0.2
132.08066	1.9
133.10103	0.4
136.06230	0.3
137.05969	1.8
138.98732	0.3
144.08069	0.6
147.04422	0.8
151.03897	0.4
151.07491	0.4
155.04544	1.6
155.11771	1.3
158.27182	0.3
161.05994	0.6
162.07690	0.4
162.09175	0.5
167.07076	0.6
169.13560	0.3
173.05605	0.5
173.12859	7.0
173.14265	0.5
177.05435	0.8
177.10234	29.0
181.04900	0.4
183.11368	0.5
188.14432	0.5
189.10306	0.7
201.12337	2.8
205.09737	12.6
207.06377	0.4
207.11446	0.4
217.09727	4.6
219.11388	0.4
222.12651	0.6
228.11237	0.3
233.16566	2.2
235.10939	1.3
243.10205	0.4
245.16576	1.7
246.12505	0.5
247.10844	0.6
256.78931	0.3
261.15991	3.3
273.15921	0.7
274.11853	16.5
275.12088	0.4
275.17618	0.4
279.14996	1.8
281.11331	8.0
292.12921	14.9
303.17004	0.9
307.14392	0.7
315.05005	1.1
324.17249	0.3
330.18118	0.8
341.19849	0.4
342.18137	2.8
348.19180	1.5
352.16446	0.5
359.20761	4.5
360.06641	0.3
360.19193	0.8
369.19260	0.8
376.16611	0.9
377.21896	2.7
387.20288	11.3
394.18927	1.0
402.42307	0.3
405.21371	3.9
420.22958	0.4
421.18713	0.9
450.24191	0.5
461.25204	0.4
463.21863	0.5
479.26541	0.5
481.22888	0.6
489.25153	1.5
506.27664	1.4
507.26013	1.0
523.12347	0.5
524.28772	3.3
534.27362	1.6
552.28333	1.3
667.28839	0.3
685.35144	0.3
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
52.87653	0.9
53.03933	1.6
55.01864	2.6
55.05526	1.2
57.03433	2.1
61.59040	0.8
65.03941	2.7
67.05500	5.8
69.03423	5.7
69.53212	6.3
69.53623	1.6
70.06597	5.6
71.04997	1.7
72.08147	2.3
73.02917	4.0
79.05482	10.0
81.03416	7.6
81.07042	7.4
82.31721	1.0
83.06120	0.9
84.04520	1.6
84.08142	3.4
85.02911	7.3
86.09719	3.5
89.03890	1.2
91.04891	2.0
91.05473	42.2
93.07043	30.9
94.04202	3.2
95.04980	5.8
95.08601	6.8
97.02869	5.8
98.20840	1.9
99.04435	1.5
103.05476	4.1
105.07029	12.2
107.04951	3.5
107.08610	4.0
109.02886	2.3
109.06539	3.9
109.10155	2.3
111.04464	2.4
115.05475	5.6
116.06221	1.1
117.03407	1.5
117.07013	11.2
119.04941	4.4
119.08576	53.1
120.08114	2.0
120.08890	1.2
121.06529	4.5
121.10149	5.9
122.03648	8.1
123.04428	3.7
123.08047	1.4
127.03938	2.9
128.06224	2.9
129.07002	8.7
131.04884	4.6
131.08594	2.6
132.05698	2.8
133.02859	2.1
133.06490	4.1
135.04315	1.1
135.07076	0.9
135.08049	4.1
135.11691	0.9
137.05969	100.0
137.09531	4.6
145.02817	2.4
145.05006	1.2
145.06499	3.2
145.10083	1.8
146.03651	1.4
147.04413	6.7
147.08035	29.2
148.04768	1.5
149.05980	4.5
149.09616	1.9
151.03993	2.0
151.07591	1.8
153.01863	1.6
155.04927	1.7
159.08072	4.3
159.11667	1.4
160.05176	2.4
161.05957	16.3
161.09579	1.1
163.03920	2.8
163.07567	4.5
165.07004	1.3
165.09105	10.1
167.06996	6.5
169.06441	1.6
171.04272	1.2
172.05217	1.3
173.05949	1.6
175.03914	3.8
175.07526	28.7
175.08997	1.7
177.05424	7.2
179.07056	1.4
179.08562	1.0
181.04927	1.4
183.10176	2.0
187.07510	10.5
189.09102	2.1
190.07668	1.6
191.07068	1.5
191.08549	7.6
193.05002	3.7
199.07516	8.2
201.05432	1.1
202.07788	2.3
203.08572	4.1
205.08466	1.2
207.06479	5.4
211.07759	1.0
217.08540	1.5
218.07364	2.4
219.08058	12.2
219.10103	1.9
220.08769	2.7
221.09584	1.2
225.12383	3.2
231.08075	5.5
232.08832	2.1
236.08356	1.5
247.07480	5.6
248.08322	3.3
251.10660	14.6
259.07574	4.2
260.08310	1.6
263.10693	3.6
264.08066	1.2
276.07928	1.8
277.08682	2.3
279.10156	9.9
280.10916	1.6
285.03952	4.2
291.10114	8.1
291.12915	1.2
295.09747	1.2
296.10471	1.5
302.04184	2.4
311.09167	1.7
311.12762	30.0
311.16193	2.1
317.06598	5.2
321.11197	1.4
323.12842	12.8
335.12781	1.2
363.15771	1.4
457.19995	1.2
483.02975	1.2
505.11072	1.4
523.12299	12.8
524.12756	1.8
685.33655	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92731	0.2
55.01854	0.4
55.05507	0.3
57.03419	0.4
60.04510	0.4
61.02911	0.2
64.11092	0.2
64.12101	0.2
65.03932	0.5
67.05485	0.6
68.99792	0.4
69.03409	1.0
70.06567	0.8
70.83679	0.7
71.04964	0.3
71.65400	0.2
72.08154	0.2
73.02894	0.2
77.03912	0.2
78.01027	0.2
79.05474	0.6
81.03411	2.6
81.07048	0.9
84.04492	0.3
84.08141	0.4
85.02917	1.1
85.06516	0.2
86.09710	1.2
89.03903	0.6
91.05474	11.3
92.02624	0.2
93.07040	1.3
95.04967	0.7
95.08589	0.7
97.02868	0.6
99.04449	0.4
101.83251	0.2
103.05434	0.5
105.03424	0.2
105.07021	0.8
107.04932	0.4
107.08561	0.6
109.02894	1.1
109.10156	0.6
110.03638	0.6
110.07152	0.2
110.34435	0.2
115.05394	0.2
117.03355	0.4
117.07017	0.4
118.04188	0.2
119.04936	15.0
119.08552	0.7
120.08109	3.4
121.02866	0.2
121.06441	0.3
121.10127	0.6
122.03629	0.2
123.04432	0.3
123.11720	0.2
127.03838	0.4
131.04887	0.4
131.08527	0.2
132.02066	0.7
133.02872	0.3
133.10049	0.2
135.04477	0.3
136.06154	0.3
137.02330	4.4
137.03392	0.4
137.05954	2.1
142.02867	0.2
145.02815	0.9
145.10139	0.2
147.04401	13.1
147.07977	0.3
147.11743	0.3
148.26042	0.2
149.02316	0.7
149.09621	0.3
150.03093	0.5
151.03862	0.7
153.01779	2.1
153.05428	0.2
157.03972	1.2
161.05943	0.3
163.03990	0.3
164.04669	0.6
165.09131	0.3
167.07043	0.3
171.02913	1.1
173.05925	0.7
173.12947	0.2
175.03903	23.7
176.04442	0.3
177.05486	1.5
177.10207	0.8
178.05869	0.2
179.06999	0.8
181.05013	0.3
187.03801	0.2
191.06870	0.2
192.04202	0.5
193.01408	0.5
200.04662	0.6
204.04172	1.0
205.09874	0.3
207.06517	58.2
208.06868	0.7
215.07048	0.3
217.04851	0.3
218.05647	0.3
225.07596	0.4
228.04175	2.9
229.04948	2.1
245.04465	1.1
246.05237	0.3
256.03723	1.0
257.04498	2.2
258.05179	0.3
271.06100	0.4
273.04019	1.4
274.04697	4.2
274.11755	0.4
275.05188	0.3
285.04095	1.0
292.12729	0.5
301.03421	10.5
302.04193	43.0
303.04544	0.7
315.04437	0.2
317.06540	100.0
318.06924	1.3
341.14096	0.2
351.10687	5.0
369.11755	1.9
387.20343	0.5
460.73431	0.3
523.28772	0.3
585.64972	0.3
685.33905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
61.02905	0.5
65.03924	0.9
67.05494	0.5
69.03421	1.5
70.06590	0.6
73.02910	0.4
73.47327	0.3
77.03945	0.3
79.05463	0.5
81.03416	3.5
81.07069	0.3
84.04511	0.4
84.08148	0.6
85.02904	1.7
86.09702	0.5
89.03924	0.7
91.05478	14.1
93.07034	0.5
95.04952	0.4
97.02870	0.4
99.04457	0.6
103.05440	0.4
105.03442	0.5
105.07065	0.3
107.04942	0.4
109.02869	1.8
110.03644	1.3
119.04940	20.9
119.08559	0.4
121.02847	0.3
126.03116	0.4
127.03998	0.4
131.04916	0.4
132.02011	1.0
133.13300	0.3
135.04398	0.5
136.05240	0.6
137.02327	2.5
137.05939	0.4
139.55437	0.3
145.02780	0.5
147.04411	19.5
149.02330	0.6
153.01802	2.3
157.03940	1.4
164.04700	0.5
175.03909	36.4
176.04562	0.4
177.05449	0.4
179.06992	1.7
181.04939	0.4
182.12613	0.3
192.04164	0.5
193.01387	0.3
200.04733	1.1
204.04182	1.0
207.06528	100.0
208.06841	0.9
225.07607	0.7
228.04178	4.3
229.05042	1.9
229.59126	0.3
245.04398	2.3
246.05234	0.6
256.03723	1.0
257.04413	1.6
273.04004	1.4
274.04730	6.9
280.12354	0.3
285.03964	2.1
296.24652	0.3
301.03436	18.3
302.04214	71.6
303.04559	0.8
317.06558	97.3
318.06970	1.2
336.81262	0.3
351.10782	9.1
369.11792	4.1
373.81595	0.3
510.21918	0.4
546.90106	0.3
553.36786	0.4
633.12115	0.3
637.28107	0.3
684.09381	0.3
711.63916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4487
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
54.21062	1.0
55.05508	1.9
55.64688	1.0
57.03424	1.6
57.07070	1.1
63.85749	1.1
67.05504	3.7
69.07058	1.8
70.19259	5.1
75.01699	0.9
75.69368	1.0
79.05503	4.3
81.07059	2.1
83.08609	1.1
91.05470	2.6
91.16611	1.0
93.07047	4.0
93.65849	1.1
95.04980	1.1
95.08613	2.1
105.07024	1.9
107.08625	1.1
109.10162	1.1
119.08594	2.4
133.10153	2.3
145.10185	1.4
243.43681	1.1
319.00659	1.2
333.20422	10.6
370.92685	1.1
373.23541	1.6
389.22934	6.2
427.19022	1.1
637.27081	1.2
651.28308	6.8
652.28552	1.7
683.44928	100.0
684.45972	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09961	1.9
53.03932	5.3
55.01873	10.1
55.05262	3.8
55.05508	39.3
57.03432	23.6
57.07049	4.6
59.04987	2.0
61.02916	2.6
65.03926	9.5
67.05502	100.0
69.03414	2.7
69.07066	37.5
71.04987	6.1
75.04472	4.9
79.05489	84.2
81.03410	4.0
81.07053	91.9
83.04966	7.5
83.08610	16.5
85.02906	4.1
85.06525	2.4
91.05480	80.5
93.07038	77.4
95.04957	19.2
95.08602	82.3
97.06507	10.9
97.10154	7.8
97.78258	2.3
98.21514	4.8
103.05494	4.4
105.04515	2.8
105.07027	79.8
107.04939	2.4
107.08597	48.3
109.06499	5.2
109.10147	42.1
111.08092	3.9
115.05388	4.8
117.07012	35.0
119.08581	66.2
121.10156	31.7
123.08041	4.9
123.11692	9.0
125.09590	5.1
128.06218	8.0
129.06995	31.6
130.07790	2.2
131.08557	51.9
133.10120	47.0
135.08110	2.6
135.11719	26.4
137.09598	2.8
137.13223	2.6
141.07014	13.4
142.07750	8.7
143.08560	38.0
145.09038	3.7
145.10121	46.7
147.11697	30.1
147.87950	2.5
147.94287	2.3
149.09602	7.7
149.13252	9.6
153.06981	4.2
153.12796	2.1
154.07822	4.9
155.08539	27.7
156.09348	5.7
157.10126	34.3
159.11685	33.8
161.13246	14.9
163.11237	6.0
163.14853	3.3
165.06998	3.3
167.08591	9.9
168.09372	4.5
169.10112	30.3
170.10791	2.4
171.11684	29.9
173.11769	6.1
173.13258	21.8
175.14835	8.0
179.08565	5.9
179.14255	2.3
180.09283	4.3
181.10062	13.6
182.10820	4.0
183.11681	29.5
185.13257	23.4
187.14787	8.6
189.11305	2.1
189.16397	4.3
191.14240	2.5
193.10117	6.8
195.11705	14.2
197.13254	20.2
199.14851	14.5
201.16296	3.4
207.11722	3.3
209.13223	13.6
211.14705	12.2
213.16354	9.8
215.18117	3.2
219.11644	2.4
221.13245	5.9
223.14777	8.9
225.16347	8.2
227.12756	4.2
227.17931	6.4
229.14307	9.2
235.14842	4.5
237.16338	7.3
239.17964	5.8
241.19456	10.5
241.81079	2.3
251.17935	2.3
257.18967	4.7
259.20547	14.8
263.17850	2.2
275.20087	9.8
277.21777	3.5
295.20502	2.4
301.21533	2.7
309.22125	3.8
321.22128	2.4
323.23666	2.9
333.24347	19.5
349.23734	4.3
351.25671	6.9
403.28979	3.1
407.28925	2.7
429.30713	2.6
447.32281	7.0
461.33646	2.9
467.35309	2.8
503.33475	5.9
517.40393	20.9
535.41656	11.1
591.44049	23.8
609.45026	9.1
665.47656	5.1
683.48804	52.5
684.49109	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	681.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59806	0.5
53.03959	0.9
55.01844	0.6
55.05515	2.2
57.03437	1.6
58.18270	0.5
58.18575	0.5
59.35272	0.5
61.02925	4.5
65.30277	0.5
67.05510	6.3
69.03429	2.3
69.07069	1.9
69.89703	3.1
71.04990	0.8
73.02915	2.6
79.05504	2.8
81.03419	2.1
81.07059	8.5
83.04976	0.9
83.08643	1.3
85.02899	4.6
85.06513	0.6
87.04456	0.5
91.03975	1.7
91.05489	3.2
93.02969	0.5
93.03537	0.6
93.07039	4.6
95.04971	2.1
95.08583	2.8
97.02887	3.7
97.06539	1.0
99.04427	0.7
101.02393	1.2
105.07049	3.6
107.04958	0.9
107.08588	2.9
109.02892	1.1
109.06495	1.2
109.10147	1.3
111.04394	0.6
111.08102	0.6
113.05971	0.7
115.03950	0.9
115.05610	0.5
117.06964	0.7
119.08581	3.1
121.10151	2.9
123.08097	1.0
123.11700	1.6
127.03921	1.9
129.49057	0.5
131.08627	0.9
133.10133	1.2
135.08078	1.4
135.11748	0.6
145.10036	0.5
147.11685	4.1
149.13261	2.1
150.38699	0.5
159.11743	1.1
160.40640	0.5
165.12808	0.9
177.05608	0.5
182.61453	0.5
184.07451	0.9
203.05284	0.7
235.13071	0.9
243.08493	1.7
251.12505	1.0
269.55548	0.5
273.18494	0.8
291.19580	1.3
307.15234	0.6
310.22003	0.7
325.15012	0.9
453.20847	4.8
469.20432	10.1
473.52325	0.6
537.72778	0.6
586.97021	0.6
637.35986	0.7
681.34509	100.0
682.34955	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	681.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79724	2.3
67.05503	3.4
69.03426	3.1
69.07049	2.3
70.06586	4.2
70.11231	12.8
79.05480	4.4
81.03424	4.0
81.07052	5.9
85.02863	2.1
85.06528	2.9
89.03919	5.4
91.05473	8.3
93.07034	9.1
93.07572	2.5
95.04980	3.1
97.02882	5.3
98.20884	2.8
100.57674	2.3
105.07019	6.9
111.08006	2.6
117.03374	9.7
119.04977	3.3
119.08572	3.9
121.10152	4.4
123.08061	2.3
124.07568	4.0
137.05965	19.7
138.06369	4.8
145.02866	21.2
145.06416	2.6
145.10164	2.4
146.03194	7.1
147.04405	4.3
149.05975	4.2
149.09583	2.9
150.06268	3.1
151.39061	2.5
152.07053	2.5
161.05891	2.8
173.45639	2.7
175.07526	4.5
177.05463	48.8
178.05829	15.7
179.05992	4.9
191.08496	3.5
225.10223	2.4
237.10252	6.0
249.10207	8.0
250.11104	2.7
251.11824	13.1
253.09691	7.4
263.11765	2.9
265.09735	19.1
267.11295	5.8
278.10544	6.6
279.07953	5.2
279.11255	18.5
280.12103	5.7
285.12106	3.5
293.09201	6.3
293.12811	7.4
294.09933	4.1
295.10886	4.5
295.14291	3.8
297.12231	5.3
303.13162	4.1
309.12396	6.1
312.11017	7.3
323.13040	3.0
325.11826	17.5
327.13397	43.4
333.07095	2.8
335.10178	4.7
337.11679	5.2
339.13376	97.8
340.13956	4.0
352.21759	2.9
353.11295	6.9
353.45361	3.0
367.12863	73.5
368.13651	11.8
373.17944	3.2
385.13943	8.1
399.15451	17.9
492.21286	100.0
493.21262	3.8
510.22147	8.8
524.23907	81.0
587.98596	2.8
599.24780	3.2
640.62061	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	681.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88588	0.3
54.89034	0.3
56.79246	0.3
60.09557	0.4
60.29599	0.3
69.50694	2.2
70.56116	0.3
75.18672	0.3
91.05476	0.7
93.07047	0.6
119.08549	0.4
136.06203	0.9
185.04201	2.2
187.05782	1.7
197.89616	0.3
205.08339	2.9
207.09938	0.4
223.09584	0.7
255.06976	0.3
317.13913	0.7
319.15048	2.0
333.13196	0.5
335.14682	3.3
337.16205	2.2
353.15768	2.9
386.71545	0.3
457.25824	0.9
481.20474	11.9
497.19891	3.4
497.73193	0.4
499.21524	5.4
517.24615	0.4
519.25720	5.0
619.31116	3.5
681.30927	100.0
682.31079	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	681.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24308	0.3
68.97315	0.3
78.16898	0.3
79.05516	0.4
81.07046	0.4
83.41833	0.3
85.50105	0.3
91.05481	0.7
93.07043	0.7
105.07004	0.3
121.10125	0.5
128.11028	0.3
136.06200	0.8
177.05522	0.4
185.04224	2.4
187.05830	1.3
205.08392	2.5
223.09402	0.8
317.13681	0.4
319.15219	1.3
333.13226	0.8
335.14651	1.7
337.16205	2.7
353.15759	1.9
401.17328	0.3
457.25714	1.1
461.34299	0.4
481.20493	11.3
497.19913	3.9
499.21524	5.3
517.24365	0.5
519.25555	4.1
535.24261	0.4
619.30969	4.3
681.30878	100.0
682.31262	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	681.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.8
69.03448	0.9
69.50956	2.8
69.51393	2.9
87.60176	0.8
91.05487	1.6
93.07049	1.5
94.88653	0.6
102.59112	0.6
105.07077	1.0
119.08587	1.1
121.10162	1.1
136.06212	2.2
147.04263	0.8
161.49861	0.7
184.07373	1.0
185.04219	2.2
187.05821	1.8
205.08400	3.9
207.06503	0.8
207.10065	1.0
223.09412	1.7
238.30916	0.9
259.42502	0.7
319.14957	4.0
335.14767	2.9
337.16345	3.0
353.15640	1.1
455.24567	0.9
457.25656	2.5
464.65186	0.7
481.20383	11.0
497.20117	3.0
499.21329	4.4
517.23822	2.3
519.25702	18.6
619.30884	2.5
681.30920	100.0
682.31213	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	681.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99347	0.5
67.05517	0.7
70.06559	0.7
72.29294	0.6
79.05476	0.7
81.03422	0.9
81.07069	0.6
86.09731	0.7
91.05504	1.7
93.07030	1.5
95.04944	0.6
110.18834	0.6
110.59755	0.6
119.08604	1.2
121.10110	0.7
121.39931	0.6
136.06194	2.5
158.42334	0.6
169.04698	0.6
185.04251	2.8
187.05788	3.9
205.08337	4.6
207.10008	0.8
213.26141	0.5
223.09465	1.2
224.17088	0.6
317.13730	0.8
319.15213	2.6
335.14648	3.4
337.12482	0.7
337.16309	2.5
353.15784	0.8
368.06314	0.6
416.90775	0.7
457.25784	1.9
481.20456	12.6
497.19922	4.1
499.21307	5.8
517.24237	2.5
519.25653	13.0
519.32739	1.1
520.26379	0.7
619.30743	3.1
681.30963	100.0
682.30688	3.9
685.67145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80000	0.9
55.05496	1.3
56.96547	3.0
67.05492	2.4
69.03413	2.4
69.72315	6.8
79.05470	2.7
81.03401	1.7
81.07034	2.1
83.04955	1.6
83.80929	1.0
84.96044	2.0
85.02884	1.8
86.09689	1.1
91.05463	3.1
93.07032	3.4
95.04965	1.8
95.08588	1.9
97.02888	1.5
98.97584	1.6
105.07030	1.6
107.08569	1.7
111.04443	2.0
116.98625	1.1
117.07030	1.2
119.04958	1.3
119.08570	1.6
121.10123	2.1
121.89805	1.0
123.51315	1.0
129.07066	1.3
131.08594	1.2
136.06151	1.2
145.02782	1.2
149.09578	1.2
152.05695	1.5
161.09576	1.8
169.09984	1.0
177.05363	1.1
184.07382	1.1
192.59290	1.0
210.42581	1.0
212.26256	1.1
239.87729	1.0
241.07474	2.8
257.29871	1.4
259.08548	4.7
270.96957	1.0
283.08517	3.4
301.09467	1.3
311.30331	1.0
330.19589	1.0
353.06622	1.3
367.13416	1.6
410.23923	1.1
513.17578	1.6
519.24573	2.0
535.22009	2.0
681.28613	100.0
682.28754	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	681.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80000	0.9
55.05496	1.3
56.96547	3.0
67.05492	2.4
69.03413	2.4
69.72315	6.8
79.05470	2.7
81.03401	1.7
81.07034	2.1
83.04955	1.6
83.80929	1.0
84.96044	2.0
85.02884	1.8
86.09689	1.1
91.05463	3.1
93.07032	3.4
95.04965	1.8
95.08588	1.9
97.02888	1.5
98.97584	1.6
105.07030	1.6
107.08569	1.7
111.04443	2.0
116.98625	1.1
117.07030	1.2
119.04958	1.3
119.08570	1.6
121.10123	2.1
121.89805	1.0
123.51315	1.0
129.07066	1.3
131.08594	1.2
136.06151	1.2
145.02782	1.2
149.09578	1.2
152.05695	1.5
161.09576	1.8
169.09984	1.0
177.05363	1.1
184.07382	1.1
192.59290	1.0
210.42581	1.0
212.26256	1.1
239.87729	1.0
241.07474	2.8
257.29871	1.4
259.08548	4.7
270.96957	1.0
283.08517	3.4
301.09467	1.3
311.30331	1.0
330.19589	1.0
353.06622	1.3
367.13416	1.6
410.23923	1.1
513.17578	1.6
519.24573	2.0
535.22009	2.0
681.28613	100.0
682.28754	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	681.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09445	0.5
55.01840	0.5
55.05474	0.7
56.05007	0.4
58.32682	0.4
61.07022	0.4
61.21172	0.4
69.03404	0.8
69.07048	1.2
70.06586	3.5
71.58257	0.5
72.08123	1.1
73.02911	0.6
81.03384	0.4
84.04456	0.8
84.08115	1.2
85.02868	1.0
86.09672	1.5
91.05431	0.9
94.06564	3.6
94.79601	0.4
95.04954	1.1
96.91692	0.4
97.02861	0.7
103.05454	0.5
108.04448	0.6
110.06019	1.5
112.07577	0.7
122.06021	9.2
124.07581	0.4
129.10181	0.6
136.07541	1.6
137.05952	1.7
138.05482	0.4
140.07048	10.4
141.13722	0.4
144.04396	1.5
146.05983	6.2
146.76692	0.4
147.04337	1.2
148.07567	0.4
149.07080	1.1
150.05452	1.4
152.07021	2.2
158.09615	1.3
160.07558	0.8
162.05486	1.2
162.09052	0.6
164.07001	0.9
167.07071	0.9
172.03931	9.1
172.07513	1.0
173.04755	0.8
174.05478	4.1
174.09048	0.5
174.11598	0.6
175.08719	1.2
175.12332	1.0
181.04932	0.8
186.09111	5.3
187.08734	1.3
188.09415	1.2
191.05769	1.7
192.06554	0.6
196.07582	0.8
196.59779	0.4
198.09198	1.1
200.07045	1.0
200.10678	2.0
201.10202	0.7
202.10962	2.8
203.11794	5.7
204.06543	14.0
206.08107	4.9
213.08397	0.5
213.10138	2.6
214.08611	10.3
215.08173	5.5
216.08888	1.0
217.09750	0.8
227.11819	1.4
228.10280	3.5
228.12453	0.7
229.09726	2.6
230.10533	1.6
231.11310	6.2
239.85728	0.6
241.09697	1.9
242.08154	2.4
243.11325	1.5
245.09186	2.5
247.10818	1.4
255.11256	6.4
256.09744	3.5
257.09241	0.7
257.12860	1.6
258.10083	0.6
259.10760	76.3
260.11166	1.0
271.10632	1.1
273.12253	6.0
283.10834	3.4
285.12262	0.9
287.10220	0.9
299.10239	0.7
301.11810	56.8
311.18811	0.6
313.11816	5.3
319.12860	100.0
320.13168	1.7
331.12875	2.6
335.12433	1.5
337.13913	17.5
345.14301	3.5
430.30627	0.6
462.01590	0.5
474.18719	0.7
480.17236	0.6
505.18402	1.2
508.16763	1.0
523.19757	1.0
531.22595	0.5
645.25177	1.0
663.26434	3.5
681.27136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41461	0.6
52.42843	0.5
55.01847	0.7
55.05491	0.8
60.05927	0.5
60.67614	0.5
61.33992	0.5
66.25338	0.6
67.05489	1.5
69.03397	0.7
69.07056	1.0
69.47361	4.5
70.06559	1.9
71.04963	0.6
72.08129	2.3
79.05461	0.9
81.03416	0.6
84.04520	1.2
84.08142	1.3
84.18056	0.6
85.02878	1.4
86.06058	0.8
86.09690	1.1
87.56412	0.7
90.92191	0.5
91.05453	1.6
93.07024	0.7
94.06560	2.7
95.04941	1.0
95.08597	0.6
97.06495	1.3
99.09268	0.6
101.07146	0.8
107.04938	0.9
110.06010	2.0
114.10263	1.1
116.05004	0.6
122.05306	0.8
122.06043	9.0
127.52637	0.5
131.12897	1.0
134.09624	0.6
136.07529	2.1
137.05930	1.3
138.05411	0.7
140.07048	8.3
144.04436	0.9
146.06004	6.2
147.04390	0.9
148.07553	0.8
150.05473	1.8
152.07037	2.2
158.09619	0.9
160.07561	1.4
160.09981	0.6
162.05551	0.9
162.09117	2.5
166.08557	0.5
167.07001	1.2
170.09596	0.7
172.03931	7.6
172.07607	1.3
174.05461	2.5
174.09155	0.7
175.08678	0.9
175.12303	0.7
176.07048	0.7
180.10225	1.1
181.05011	0.6
186.09155	6.1
187.08736	1.1
188.09433	0.9
190.05003	0.6
190.08641	0.9
191.05832	1.0
196.85670	0.5
198.09216	0.9
200.10710	1.5
201.10211	1.1
202.08876	1.1
202.10988	3.5
203.11774	7.6
204.06555	11.0
206.08144	4.9
207.06485	1.2
208.09740	2.6
210.09015	0.6
212.07170	0.7
213.10193	2.8
214.08653	11.6
215.08185	4.0
216.08725	0.8
217.09671	1.0
225.10341	0.6
227.11787	1.5
228.10143	3.9
229.09700	2.5
230.10350	1.3
231.11296	6.3
241.09715	3.1
242.08069	2.2
243.11208	0.7
245.09143	1.0
245.12831	0.7
247.10754	1.6
255.11217	6.2
256.09573	2.9
257.09265	0.9
257.12872	2.0
259.10770	79.5
260.11130	1.2
265.09366	0.6
267.11053	0.7
271.11072	0.7
273.12363	7.1
283.10828	3.9
285.12366	0.8
301.11829	56.8
302.12238	1.1
313.11829	2.8
319.12875	100.0
320.13187	1.5
323.10318	1.5
331.12875	1.7
335.12372	1.8
337.13937	21.4
338.14374	0.7
345.14584	3.8
351.09747	0.8
354.47726	0.7
373.13956	1.1
377.01563	0.7
428.17136	1.0
442.16309	0.7
474.18710	4.4
492.17169	0.8
519.24054	1.9
613.22815	0.6
631.23798	1.0
650.23273	0.6
663.26282	1.1
681.29169	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	681.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.7
55.05500	1.3
60.04520	0.8
69.07047	1.4
69.23735	4.9
69.24166	4.3
70.06580	3.6
72.08142	2.0
81.03407	1.1
81.07050	1.1
83.04942	0.8
84.08155	1.8
85.02892	2.3
86.09679	1.5
91.05473	2.1
93.07048	2.0
94.06548	2.9
97.02883	1.0
97.06528	1.3
98.06064	0.8
110.06026	1.9
114.10271	1.7
119.04946	0.8
122.06033	9.6
123.04405	1.2
124.07615	0.9
131.12939	2.5
136.07579	1.9
137.05960	1.3
138.09200	1.1
140.07072	9.7
144.04472	1.5
146.06004	6.3
147.04378	2.5
148.07571	0.8
150.05476	2.1
152.07031	2.2
160.07578	1.9
162.05492	1.9
162.09154	2.3
164.07050	0.8
167.07115	1.0
170.09657	1.5
172.03951	9.2
172.07585	1.0
174.05482	3.5
175.03883	2.0
177.05522	1.3
180.10184	1.1
186.09111	5.4
187.08650	1.4
188.09404	1.0
190.08606	1.5
200.10826	1.4
201.10234	1.6
202.08878	0.9
202.11028	2.9
203.11789	7.4
204.06551	14.2
206.08099	5.7
207.06537	2.0
208.09563	4.1
213.10194	2.1
214.08664	10.6
214.10637	0.8
214.17838	0.9
215.08121	5.8
217.09766	1.2
227.11795	1.3
228.10167	3.8
229.09998	1.9
230.10532	1.4
231.11317	5.4
241.09726	4.0
242.08186	2.4
243.11267	1.3
245.09346	1.7
245.12759	1.1
247.10660	1.0
255.11392	5.2
256.09668	3.4
257.09204	1.1
257.12799	1.5
259.10779	81.7
260.11273	2.4
271.10895	1.1
273.12366	6.2
283.10767	4.6
301.11823	63.5
302.12103	0.9
307.10818	1.2
313.11914	4.4
318.12207	1.1
319.12881	100.0
320.13229	1.6
323.10345	1.9
325.11670	1.0
331.12872	1.1
335.12445	2.1
337.13950	22.4
337.18042	1.4
345.14340	3.1
351.09561	1.6
373.14014	1.4
442.16040	1.1
474.18442	3.9
508.17307	1.1
524.19006	0.9
613.22363	1.1
631.23816	1.2
649.24951	1.5
681.29205	5.7
688.03088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1655
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03887	1.4
55.01813	1.3
55.02042	0.3
55.05455	0.5
57.03374	2.0
60.05582	0.4
61.02873	1.0
68.99765	0.7
69.03422	3.8
69.07023	0.4
70.06519	1.9
71.04989	8.7
71.58659	0.6
72.08128	0.8
73.02850	1.6
75.04417	0.4
77.97447	0.4
79.05447	0.5
81.03413	4.6
81.07016	0.4
83.04910	1.1
84.08073	0.8
85.02898	16.0
85.03369	0.6
86.05996	0.5
86.09669	0.7
87.00816	3.1
87.04404	0.6
91.05397	1.3
93.06984	1.0
95.04900	0.7
95.08587	0.5
97.02890	3.5
98.06015	0.5
99.04445	2.1
105.01797	1.7
109.02871	5.4
111.04408	0.8
114.10223	0.6
116.10656	0.8
117.01781	0.4
119.04839	0.6
119.08554	0.4
120.08065	0.4
121.02880	1.8
121.10143	0.4
122.05969	0.9
127.03918	7.3
129.01802	0.4
129.05508	2.0
129.10184	0.5
131.12857	0.8
133.02768	0.6
136.07475	0.8
137.02257	0.5
137.05891	1.4
140.06990	0.8
145.02734	1.1
145.04948	2.8
146.05968	0.7
147.02902	0.4
147.04317	1.1
147.06470	0.8
151.03867	0.5
153.01808	2.4
155.84175	0.4
159.02876	2.9
162.09074	1.5
165.01761	1.3
167.07005	0.5
174.05464	0.7
177.05382	1.2
178.05798	0.4
178.43028	0.4
180.10095	1.0
181.04895	0.6
183.02882	0.6
185.05984	0.4
190.08580	0.5
204.06557	1.3
206.08011	1.1
208.09712	2.4
213.05464	0.7
225.10141	0.5
229.09615	0.5
241.09665	0.4
258.05258	0.8
259.10757	1.7
283.10721	0.5
287.05481	100.0
288.05737	1.8
299.05463	0.6
301.11899	1.3
313.11832	0.9
319.12930	2.3
329.06531	1.7
335.12390	1.2
336.13208	0.5
353.06790	0.7
373.13910	0.6
396.15329	0.6
397.09247	0.9
433.11191	0.9
442.16089	0.7
469.26285	0.4
474.18552	4.0
519.24164	3.1
535.11029	0.5
613.57391	0.4
631.24207	0.6
681.29498	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	680.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
54.97830	0.2
55.01872	0.3
55.05519	1.0
57.03435	0.7
63.33777	0.2
63.91718	0.2
67.05499	0.7
69.03426	2.4
69.07056	0.3
69.92699	0.5
69.93112	0.9
70.06577	0.5
71.04984	0.4
72.08153	0.3
73.02909	0.2
75.04468	0.5
79.05487	4.6
81.03416	4.1
81.07056	0.6
82.06572	0.2
83.04999	0.3
83.08625	0.4
84.08149	0.3
85.02890	1.5
86.06070	1.5
87.04472	0.4
91.05478	4.5
93.07036	19.0
95.04974	1.8
95.08601	0.9
97.02888	1.3
97.06544	0.3
98.09682	0.5
99.04438	0.7
100.07619	0.2
100.11253	1.2
103.05479	0.4
105.07018	2.6
107.04980	0.2
107.08584	4.2
109.02879	1.6
109.06529	0.3
110.07175	0.3
111.04427	0.4
111.08063	0.5
115.28820	0.2
116.06209	0.3
116.10710	1.8
119.08583	1.1
121.06501	0.5
121.10136	18.1
123.04448	0.2
123.08072	0.6
127.03885	0.7
128.07053	0.3
131.08574	1.9
132.04449	4.2
136.06136	0.2
137.05957	0.3
137.09624	0.4
139.11153	0.4
145.02835	0.9
145.05026	0.2
147.04356	0.5
149.09612	11.3
151.03886	0.6
160.03856	0.3
163.65271	0.2
167.10619	1.3
177.05461	2.3
178.04980	50.0
179.05307	0.6
182.15384	0.6
206.04468	100.0
207.04855	1.4
209.16458	0.4
210.14876	0.7
219.10109	0.5
220.10448	0.2
231.98424	0.2
238.10725	0.7
256.18982	0.3
268.16733	0.2
293.13800	3.3
311.14850	3.3
368.09390	0.3
371.15100	0.3
390.24594	0.9
516.18634	17.2
517.18866	0.4
534.19427	0.5
566.28076	2.4
661.49640	0.3
679.51337	1.1
680.50867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.05486	1.7
57.03419	1.4
60.04501	1.2
67.05502	2.6
69.03420	2.8
69.07050	1.3
70.06588	4.1
71.04977	1.6
71.58364	0.9
71.58834	1.0
72.04516	1.7
72.08167	1.6
73.02916	3.9
76.02226	1.8
79.05479	2.0
81.03404	2.7
81.07056	3.9
83.04980	1.5
83.08605	1.3
83.48418	1.0
84.04491	2.7
84.08135	1.7
85.02901	5.5
86.09697	1.6
89.03905	1.1
91.05482	4.0
93.07041	4.9
95.04965	2.4
95.08610	2.0
97.02893	3.7
98.06055	1.3
100.11246	3.6
105.07029	2.3
107.04912	1.1
107.08593	2.8
109.02829	1.1
109.10182	1.2
111.04404	1.2
111.08038	1.5
115.03912	2.0
117.03371	3.9
117.07001	1.3
119.04960	1.8
119.08581	2.3
120.04453	1.7
121.06508	1.5
121.10135	2.4
127.03917	1.2
129.06973	1.4
131.04884	1.1
133.10208	0.9
137.05980	7.0
138.05490	1.4
138.09100	1.0
140.07111	1.2
145.02838	11.7
145.10104	1.2
147.04430	1.0
149.05994	2.7
152.07170	1.1
153.35934	0.8
157.10153	1.0
161.06010	1.1
162.07645	7.0
175.03987	1.5
175.07545	2.6
177.05449	20.9
177.06874	1.6
178.05772	1.3
182.15378	1.0
194.08142	2.4
206.07913	1.0
207.06502	3.3
208.06531	0.9
210.14842	1.6
221.10855	1.1
223.19603	1.0
225.10316	1.1
227.12027	1.0
235.08571	3.3
237.10133	4.4
239.11798	1.0
246.11255	1.1
249.10234	14.0
250.11067	4.6
251.11826	6.3
261.09982	1.1
263.08301	1.6
263.11359	2.0
264.08929	2.6
265.09735	10.4
265.12549	1.3
265.13623	1.4
277.09790	9.0
278.10449	13.0
279.07700	9.8
279.11285	21.2
280.11868	1.2
283.10834	1.6
293.09262	2.4
293.12796	22.1
293.16119	1.6
295.10873	1.6
297.12305	4.6
303.04849	1.4
305.09207	6.9
306.10013	2.6
307.10654	8.6
308.11618	1.5
309.09082	1.6
309.12265	6.9
310.09631	1.6
311.10168	7.3
311.13361	1.7
312.14801	1.2
321.12228	1.3
322.13184	1.5
323.10257	3.8
324.11087	2.3
325.11792	11.9
326.12741	1.4
333.08759	5.7
337.11734	1.7
338.12582	3.7
339.13394	37.4
340.14154	2.3
342.12549	1.2
344.14191	1.1
347.12527	1.4
351.09665	19.2
352.10501	2.2
353.14981	12.2
355.13028	1.7
356.13824	1.7
357.15182	1.5
366.12085	19.2
367.12939	7.3
369.14337	6.8
371.15988	3.0
373.17841	1.3
382.11624	1.3
383.12387	3.5
384.13168	4.3
385.13403	1.1
386.15097	2.0
396.13574	1.3
397.13855	2.5
398.14740	14.3
399.15503	100.0
400.15945	3.5
401.12933	1.1
414.14264	1.8
416.15964	1.5
432.15054	1.2
460.18872	2.0
472.15076	2.0
473.16086	5.2
474.16672	8.0
476.18283	2.7
490.19824	1.3
496.24393	3.2
504.17465	2.7
505.18491	15.0
506.19098	8.7
522.22400	59.5
523.23828	6.9
524.20459	1.3
540.23462	17.1
597.23346	3.4
629.25769	6.2
647.26758	2.1
679.26373	1.7
679.50269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03946	0.6
53.62381	0.3
55.01875	0.5
55.05508	0.8
57.03437	0.4
62.91818	0.3
63.02377	0.4
66.04746	0.4
67.05494	0.5
69.03428	1.4
70.03279	1.1
70.03694	0.6
70.06578	0.9
73.02924	0.9
78.04703	0.5
79.05470	1.9
81.03409	3.6
81.07054	1.2
84.04501	0.6
84.08167	0.5
85.02895	1.8
86.09723	0.5
89.03909	7.0
91.05469	3.6
93.07040	1.7
93.98412	0.4
94.04185	1.5
95.04992	0.8
97.02892	2.8
98.03236	0.6
99.04449	0.5
100.11266	1.8
103.05473	1.2
105.07029	3.6
106.04131	0.4
107.04958	0.6
107.08590	0.4
109.02873	1.8
109.06531	1.3
111.04473	0.4
115.05460	2.0
117.03377	19.4
117.07022	0.8
119.04906	1.7
119.08582	1.6
120.08102	0.4
121.06519	0.4
122.03666	3.0
125.06042	0.6
127.03924	0.7
128.06215	1.1
129.07010	1.4
131.04916	1.1
131.08585	0.4
132.05695	1.0
133.06523	1.9
134.03629	1.4
135.04433	2.2
135.08134	0.4
137.05977	41.3
138.06355	0.7
141.06905	0.7
145.02844	48.5
145.06454	1.3
146.03191	0.8
147.04404	2.1
147.08040	1.3
149.05986	7.5
151.03874	0.4
153.05464	0.7
157.06430	0.5
159.08054	1.1
160.05226	0.9
161.04637	0.5
161.05972	7.4
163.03918	0.8
163.07593	0.8
165.09103	0.6
171.08044	0.6
173.05898	0.3
175.03973	1.7
175.07553	12.6
176.07904	0.4
177.05467	100.0
178.05835	1.7
179.07016	0.5
182.15388	0.5
184.05185	0.7
185.08064	1.2
186.05519	1.0
187.07576	3.5
187.11189	0.4
189.09148	0.4
190.07716	1.0
191.08505	3.5
195.06451	1.0
199.07530	3.7
202.07808	2.0
203.08607	3.0
205.06458	0.5
207.06476	3.8
207.08170	0.5
209.16541	0.8
210.14844	1.2
217.08548	0.6
218.07274	0.8
219.08049	5.0
220.08759	1.4
231.08063	3.2
232.08717	1.0
233.09422	0.4
235.07425	0.4
236.08226	0.9
237.08932	0.4
247.07532	2.3
248.08379	2.5
251.10674	5.5
259.07510	2.4
260.08215	0.9
261.09030	1.0
263.10718	2.0
264.07611	0.7
265.08679	0.6
276.07721	1.2
277.08261	0.8
279.10187	3.8
280.10663	0.8
290.08981	0.4
291.10162	5.2
292.10706	1.0
293.08011	0.7
295.13126	0.6
296.10187	0.4
297.13016	0.5
307.09546	0.6
308.10178	0.7
311.12787	10.4
321.09692	6.3
322.11667	0.7
323.12747	6.9
329.50787	0.4
339.10651	1.5
341.13611	0.6
345.63263	0.4
412.42215	0.4
453.34125	1.3
524.19604	0.6
577.74133	0.4
643.32361	0.4
676.75629	0.4
679.50488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01866	0.7
55.05495	0.5
57.03417	0.4
57.10086	0.3
58.39833	0.3
60.17556	0.3
63.02382	0.6
66.04710	0.6
67.05499	0.8
69.03413	1.6
69.54767	3.2
70.06581	1.5
71.04993	0.4
72.08146	0.8
75.50170	0.3
79.05470	1.1
79.49212	0.4
81.03415	4.1
81.07040	1.1
83.08609	0.7
84.04478	0.5
84.08112	0.8
85.02901	1.8
86.09726	0.9
89.03910	7.9
89.04425	0.7
91.05489	3.6
93.07027	1.2
93.17889	0.3
94.04193	1.8
95.04975	1.2
97.02881	4.2
98.03201	0.5
100.11255	2.0
103.05497	1.8
105.07030	3.3
105.30697	0.4
106.04175	0.4
107.04959	0.8
108.27558	0.4
109.02866	1.2
109.06513	1.1
109.10165	0.4
111.04459	0.5
115.05448	1.7
117.03374	20.5
117.07006	1.0
119.04948	1.7
119.08592	1.5
121.06487	0.4
121.10105	0.5
122.03622	3.7
124.05179	0.5
125.05981	0.9
127.03922	0.8
128.06238	1.0
129.06992	1.5
131.04918	1.4
132.05673	1.1
133.06493	2.0
134.03627	1.7
135.04411	1.5
136.06169	0.5
137.05974	43.4
138.06366	0.9
141.06970	0.6
143.08618	0.4
145.02843	45.9
146.03400	0.6
147.04373	2.5
147.08060	2.2
149.05983	8.1
149.09705	0.5
151.03864	0.7
151.07494	0.4
153.05476	0.7
155.04924	0.5
157.06529	0.4
159.08054	1.4
160.05151	1.1
161.05978	7.9
162.07619	1.0
163.03940	0.8
163.07536	0.5
172.05171	0.5
175.03882	1.6
175.07555	11.7
177.05464	100.0
178.05911	1.1
179.07057	0.4
182.15388	1.1
184.05202	0.4
184.07384	0.6
185.06067	0.4
185.08105	0.9
186.05502	1.7
187.07518	4.0
189.09198	0.5
190.07770	1.5
191.08556	4.1
192.09578	0.4
195.06496	1.3
197.04541	0.4
199.07532	3.3
202.07809	1.5
203.08531	2.9
204.09164	0.4
207.06516	4.3
207.08148	0.5
209.16438	1.0
210.14977	0.9
217.08722	0.6
218.07324	1.1
219.08061	5.3
220.08786	1.8
231.08058	3.5
232.08766	0.8
233.09634	0.5
235.07495	0.5
236.08308	0.7
247.07579	2.2
248.08344	2.4
249.08971	0.4
251.10707	5.5
259.07581	1.7
260.08258	1.0
261.09100	0.6
263.10635	1.4
264.07617	0.5
276.07892	1.3
277.08536	1.3
279.10193	4.2
280.10834	0.5
291.10107	5.5
292.10941	1.1
295.13239	0.4
296.10681	0.4
308.10269	0.8
309.11343	0.4
311.12784	10.4
317.10895	0.4
321.09662	6.2
323.12717	6.8
339.10803	1.8
453.34000	0.8
524.20123	0.5
613.43005	0.4
679.50842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24619	7.8
52.26028	7.5
55.05497	12.7
59.36053	9.0
59.73129	8.4
60.08150	9.4
67.05497	55.4
69.07053	14.2
70.84655	20.0
70.85007	11.5
79.05477	37.1
81.07048	41.3
86.09691	27.1
87.12377	9.5
89.33334	8.9
91.05456	25.9
93.07032	35.7
95.08595	27.3
97.10165	10.2
105.07005	33.7
107.08598	23.0
109.10150	14.9
119.08568	29.2
133.10133	14.9
135.11612	10.0
145.10074	20.7
147.11639	11.5
153.44067	8.5
153.73480	8.2
159.11702	9.9
182.63719	9.9
184.07350	100.0
184.90086	9.3
195.59561	9.6
259.20590	13.0
333.24298	11.1
430.23358	12.3
478.72812	10.3
607.42938	11.4
610.38165	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	678.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
54.57055	1.4
55.01860	5.0
55.05508	2.7
56.93142	1.2
61.02928	2.5
62.41310	1.3
65.03925	1.6
67.05493	3.3
69.03436	9.0
69.07053	2.2
70.06574	3.4
71.04974	2.4
72.08156	1.7
73.02908	3.7
76.25728	1.5
79.05493	8.5
81.03412	9.4
81.07044	4.5
83.04967	2.0
84.04516	2.5
84.08159	1.4
85.02902	8.1
86.09692	3.7
89.03920	9.1
91.05470	16.1
93.07040	19.5
95.04956	5.0
95.08585	5.4
97.02889	75.5
101.70491	1.3
103.05473	1.6
105.07034	9.7
107.04961	3.5
107.08589	7.2
109.02873	4.2
109.06488	4.0
110.03652	3.1
111.04447	7.2
111.08057	8.1
115.03919	8.8
115.05481	2.6
117.03379	26.4
117.07002	4.8
119.04910	4.9
119.08585	13.2
120.04432	1.8
121.06522	3.8
121.10126	5.7
122.03645	3.7
123.04453	6.7
123.08035	1.9
124.05251	1.3
124.99958	2.2
125.05991	14.3
127.03896	6.0
128.04253	1.3
128.06215	2.6
129.06990	3.4
131.04929	2.2
131.08568	3.8
132.05688	2.3
133.06512	3.2
133.10136	2.7
135.04390	1.7
135.08038	6.0
137.05968	40.1
137.09584	1.6
139.03902	6.8
139.11089	2.0
141.06966	1.7
142.07732	1.7
143.08475	2.2
145.02840	56.2
145.06454	3.7
145.10139	3.2
146.03227	2.4
146.07254	2.3
147.04408	7.6
147.08031	9.5
148.04778	1.7
149.05975	10.0
149.09615	1.8
151.03871	3.2
151.07555	2.2
153.05453	21.8
153.09091	3.9
154.06248	8.4
157.10043	1.7
159.08093	2.2
161.06012	7.2
161.09622	2.2
162.07620	4.1
163.03856	2.6
163.07472	3.0
165.09126	13.1
169.05013	1.8
169.10155	1.6
170.05682	1.5
171.97798	1.3
172.05025	1.5
173.09509	1.7
175.03899	1.8
175.07552	12.2
177.05467	100.0
178.05835	6.1
181.08722	2.3
183.10191	7.1
184.07327	7.7
185.08086	33.3
185.09544	2.1
187.06059	1.4
187.07578	3.6
187.11165	2.5
189.09154	3.0
191.08516	4.4
191.10509	1.7
197.09668	2.1
199.07562	4.2
201.11211	3.7
202.07782	1.6
203.08615	3.4
203.10583	1.8
206.05779	1.5
207.06610	6.7
207.08272	1.5
207.10188	5.4
208.08812	1.4
215.10658	5.3
219.08093	7.1
219.10075	2.3
219.97731	1.4
220.08559	1.8
225.11142	2.3
227.09041	2.1
231.08054	3.3
231.10190	5.3
233.11681	1.8
243.10222	5.3
247.07596	4.3
248.08443	2.3
251.10629	6.2
259.07489	2.6
261.11255	9.1
263.08951	7.1
273.13330	2.3
277.08649	1.6
279.09909	3.0
279.12653	2.9
281.10052	1.9
287.05597	1.5
291.10025	6.0
292.11124	1.6
297.13367	6.6
307.09674	7.1
310.11908	2.1
311.12695	5.0
321.09732	4.8
322.12021	9.8
323.12637	4.0
331.10159	2.5
372.23752	1.3
531.89471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
53.75812	2.0
55.05516	16.7
57.03428	10.3
57.07069	4.5
61.02927	23.9
65.03940	3.5
67.05504	94.1
69.03430	4.9
69.07063	16.5
69.40302	19.5
69.51727	2.1
71.04996	3.5
73.02906	7.4
79.05490	53.3
81.03428	4.1
81.07056	100.0
82.07388	2.3
83.08608	9.8
85.02906	19.9
91.03951	15.7
91.05477	31.1
92.26105	2.1
93.07045	70.2
95.04964	8.7
95.08607	78.1
97.02856	12.2
97.06544	2.5
97.10175	7.8
97.11066	2.5
99.08113	3.4
105.07030	20.3
107.08602	37.2
109.06499	3.9
109.10155	36.6
111.08066	4.2
117.07019	9.5
119.08575	20.3
121.10143	36.1
123.11687	16.2
127.03931	5.4
129.07036	2.9
131.08569	18.5
133.10092	18.6
135.11688	32.6
137.09572	2.7
137.13251	8.0
145.04953	7.3
145.10124	17.5
146.55269	2.3
147.11687	10.3
149.13237	21.3
157.10091	2.8
159.11707	18.7
161.13264	8.2
163.06004	9.6
163.14828	12.6
165.12695	4.8
173.13269	19.1
175.14833	5.5
177.05165	2.3
177.16405	8.5
182.40858	2.3
187.14822	11.3
201.16333	4.0
205.03650	2.2
205.15907	3.4
214.75517	2.3
220.89049	2.2
233.22571	5.1
243.21109	28.4
261.22137	96.0
279.23087	6.3
310.62366	2.3
317.24799	2.3
335.25739	28.6
353.26837	27.3
397.87433	3.5
445.34009	2.1
488.52011	2.3
497.30939	4.7
501.59128	2.3
544.45782	2.6
572.76489	2.4
677.34979	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	677.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.05504	1.0
56.94485	0.8
57.03426	0.8
67.05499	2.3
67.45206	0.8
69.07069	1.1
71.59273	1.7
72.62829	0.9
79.05502	2.3
81.03460	0.8
81.07065	3.3
83.08592	1.1
91.05492	1.1
93.07031	2.1
95.04998	1.1
95.08605	0.9
105.07030	1.9
107.01543	0.7
107.08620	1.1
109.10168	1.7
119.08575	1.0
121.10180	0.9
123.64590	0.8
129.07004	0.9
136.06192	12.3
347.09531	1.3
484.10257	0.9
515.31842	21.6
623.41736	0.9
629.56024	0.9
637.46930	0.9
677.37103	100.0
678.37030	2.1
686.52893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.9
61.08521	0.3
61.45538	0.3
67.05493	1.3
69.08987	0.3
71.59139	0.6
79.05492	0.8
81.07054	0.8
83.08616	0.6
84.12373	0.4
91.05464	0.6
93.07049	0.9
95.04923	0.4
95.08598	0.7
105.07026	0.6
105.99055	0.4
107.08555	0.4
109.06527	0.4
119.08586	0.5
131.08621	0.5
133.92691	0.4
136.06190	1.5
147.04419	0.5
185.04253	0.7
193.05032	0.4
203.05309	1.7
228.54225	0.4
256.26508	0.4
259.07941	1.4
272.44379	0.4
285.19562	0.4
333.24765	0.6
347.09686	1.0
349.17709	0.4
365.10516	2.8
387.13638	0.5
400.14880	0.4
401.14658	0.8
402.15399	2.3
415.16348	0.6
416.16898	1.2
421.12961	0.7
429.18274	0.5
431.19315	1.8
457.17319	0.5
475.17905	0.7
485.16843	0.5
515.31879	20.9
516.31860	0.6
545.22534	0.9
546.23639	1.3
562.22748	0.5
573.22119	1.3
590.22272	3.5
617.20630	0.5
631.22827	0.8
659.21613	0.5
677.37128	100.0
678.37933	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	676.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01857	2.0
55.05509	6.7
57.03435	3.7
66.95182	1.7
67.05505	8.3
69.03430	50.5
69.36967	8.5
69.37394	7.9
69.57844	1.7
71.01353	5.0
71.04993	10.9
73.02919	3.6
73.99553	1.6
75.04482	2.7
79.05486	12.3
81.03416	2.7
81.07036	9.8
83.04980	33.8
85.02911	32.3
87.04454	3.2
91.05484	18.4
93.07044	62.0
95.04369	2.4
95.04972	47.0
95.08636	11.5
97.02924	2.8
97.06525	4.2
99.04464	3.7
100.36671	1.8
103.05494	2.3
105.07033	16.9
106.36948	1.8
107.04951	3.0
107.08616	10.3
109.06524	4.7
111.04452	23.8
111.08089	2.5
113.06020	2.7
117.07009	5.1
119.08573	18.5
121.05737	1.7
121.06478	8.1
121.10148	68.6
123.04429	3.4
123.08086	7.0
123.11726	3.1
125.05981	2.9
129.05487	17.2
131.08543	8.7
133.06563	2.4
133.07640	1.8
133.10143	3.5
135.08063	4.4
137.05957	10.3
137.09602	3.0
139.11168	4.7
143.08545	2.7
144.79236	1.7
145.10092	3.5
147.04424	2.0
147.08069	13.2
147.11662	2.6
149.06071	1.8
149.09621	59.1
153.05484	2.4
157.10210	2.6
161.09645	3.6
165.09109	11.1
167.10701	18.3
171.40640	1.7
173.09624	2.7
175.11232	1.8
183.10289	2.3
184.07257	2.0
187.11301	2.4
191.10672	28.1
199.11324	2.3
201.09058	2.0
204.27403	1.6
233.11761	2.2
259.13333	5.7
277.14407	7.8
295.15378	100.0
296.15903	2.1
313.16461	2.6
313.44128	1.8
323.34546	1.9
346.52081	1.6
374.24033	2.0
421.36182	2.1
441.21310	6.3
477.24762	4.8
526.23602	2.3
676.14001	2.7
676.40161	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	676.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01867	1.2
55.05508	9.2
57.03438	8.1
57.07076	1.3
61.02921	1.7
65.03941	1.4
65.84072	0.9
66.73051	0.9
67.05505	37.7
67.76693	0.8
69.03425	1.4
69.07068	14.4
70.98447	3.0
71.04996	2.4
72.66094	1.0
79.05067	1.4
79.05493	21.8
81.03421	3.5
81.07058	67.8
83.04976	6.9
83.08616	8.6
85.02871	2.3
85.06530	3.6
91.05475	17.1
93.07043	30.2
95.04955	4.6
95.08601	16.3
97.02872	2.1
97.06530	7.3
99.04486	1.1
99.08065	3.1
104.76719	0.8
105.07024	18.3
107.08586	16.4
109.06522	3.5
109.10131	2.1
111.08073	4.5
117.07033	4.2
119.08580	15.2
121.10141	18.6
123.08053	2.9
123.11703	14.9
127.07575	2.0
129.07011	1.6
131.08560	4.1
133.10130	5.4
135.11690	4.2
137.13252	1.8
147.11684	30.2
149.09616	1.3
149.13261	18.7
157.10173	1.5
159.10497	1.1
159.11641	5.7
160.00589	1.0
165.12746	12.7
174.09192	1.2
175.11145	1.3
177.12769	2.6
183.13792	1.7
193.12241	1.5
195.13785	8.1
213.14877	2.3
229.14374	2.2
232.18983	1.0
232.86298	1.3
267.12985	2.1
267.15900	45.1
268.16370	0.9
269.17465	52.1
285.16959	24.9
358.21689	1.0
365.61804	1.0
461.28528	1.3
479.30038	100.0
480.30060	3.4
498.18799	1.6
647.78699	1.1
676.27191	4.5
676.36823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44853	1.5
55.01854	2.3
55.05506	5.5
57.03434	3.1
67.05514	8.0
67.89346	1.6
69.03429	32.3
71.01363	3.0
71.04986	6.6
73.02913	3.2
75.04517	3.3
79.05492	9.9
81.03407	3.2
81.07050	8.2
82.22911	1.3
83.04979	23.3
84.04462	1.3
84.12952	1.3
85.02908	22.4
86.09723	1.9
87.04468	1.6
91.05472	15.3
93.00686	1.4
93.07041	45.0
93.45645	1.5
95.04967	39.4
95.08609	7.9
97.02878	4.1
97.06506	2.4
99.04478	2.7
103.05447	1.7
105.07029	10.8
107.04978	3.0
107.08573	6.4
109.06519	3.2
109.87016	1.4
111.04440	22.2
111.08048	3.4
116.66309	1.5
117.07027	2.8
119.08591	19.8
120.04467	1.5
121.06514	5.3
121.10148	50.0
123.08059	4.4
123.11707	3.5
126.05521	2.8
129.05496	12.6
129.07007	2.1
131.08586	8.1
133.10155	3.2
135.08044	3.3
137.05969	7.3
139.11185	4.7
143.08571	2.3
145.10161	3.8
147.04364	1.6
147.08061	8.5
148.18301	1.5
149.09621	49.7
159.07959	1.9
161.09651	4.1
165.09149	10.4
167.10670	12.5
173.09573	1.8
184.07332	2.6
191.10686	23.2
203.10730	1.8
230.12357	2.5
233.11740	2.9
235.13414	1.8
241.12233	2.0
259.13303	5.0
277.14429	4.6
295.15381	100.0
313.16354	2.7
441.21323	5.3
458.32556	4.3
460.89410	1.6
477.24380	2.4
498.35080	2.0
514.35004	3.7
676.40765	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01868	1.9
55.05511	8.9
57.03436	8.9
59.05004	1.9
67.05502	4.5
69.03429	59.4
69.07050	1.2
70.06598	0.9
71.01356	8.7
71.04995	22.1
71.24197	0.7
73.02914	2.5
74.91862	0.8
75.04482	10.1
79.05492	16.1
81.03407	0.8
81.07056	8.6
83.04981	45.7
85.02908	54.9
87.04470	4.0
91.05481	19.2
93.07043	97.7
94.07400	0.8
95.04973	10.1
95.08602	6.8
97.02885	1.1
97.06538	1.6
99.04452	3.4
101.06050	1.1
103.05501	1.0
104.06201	0.7
105.07033	8.0
107.05000	1.0
107.08600	10.4
109.06519	3.2
109.10153	1.4
111.04441	29.2
111.08080	6.0
113.05982	2.6
115.05472	0.7
117.07028	3.4
118.00191	0.7
119.08577	20.9
121.06479	2.0
121.10145	83.2
122.10439	1.2
123.04422	1.3
123.08080	2.5
123.11668	3.5
125.06003	0.9
129.05484	28.4
129.07019	2.5
131.07039	1.0
131.08559	7.1
133.06557	1.0
133.07578	0.8
133.10136	1.7
135.08090	1.0
137.09627	1.0
139.11179	6.7
143.08624	1.1
147.08025	5.8
149.05943	0.8
149.09621	23.0
151.11116	1.0
159.08017	1.2
161.09605	1.8
165.09099	5.6
167.09311	1.6
167.10681	26.4
170.70007	0.9
171.11635	0.9
179.06927	1.0
184.07324	0.8
189.09175	1.4
201.32245	0.9
205.08716	0.8
217.12141	1.0
223.60085	0.9
231.13821	1.4
235.13261	1.0
239.09151	2.8
253.14458	0.9
257.10135	1.5
259.13321	3.4
277.14343	6.1
293.13721	1.2
295.15399	100.0
296.15646	2.1
297.17001	1.8
313.16443	61.8
314.17081	1.0
332.29904	0.8
405.19168	1.7
423.20096	2.2
441.21201	18.4
459.22333	18.9
477.24921	1.2
543.23322	0.8
598.28192	0.9
609.55969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01867	1.6
55.05510	8.0
57.03440	6.6
59.05008	1.6
61.02916	1.2
65.03941	1.1
67.05505	3.9
69.03428	52.4
69.86090	2.0
69.86498	1.2
71.01352	8.7
71.04989	17.6
73.02915	2.0
75.04481	7.4
79.05490	13.2
81.07053	9.0
83.04977	37.5
84.04509	0.7
84.51376	0.7
85.02902	53.2
85.06522	0.8
87.04461	3.6
91.05478	20.2
93.07040	88.9
95.04971	9.1
95.08598	5.6
97.02916	1.5
97.06539	1.5
98.20810	1.0
99.04421	3.7
101.05999	1.4
103.05531	0.7
105.04565	0.8
105.07019	8.9
107.04935	1.1
107.08595	10.0
109.06535	2.2
109.10166	0.9
111.04437	27.8
111.08066	5.6
113.06012	2.5
115.05502	0.6
116.06254	1.1
117.07027	2.1
119.04950	0.7
119.08575	17.6
121.06520	1.8
121.10138	72.1
122.10484	1.1
123.08073	2.6
123.11728	3.1
125.05974	1.1
127.03930	0.9
129.05475	27.8
129.07019	1.6
131.08546	7.3
133.10133	1.3
137.06010	0.6
137.09645	1.6
139.11179	4.3
143.08557	1.1
145.10135	1.7
147.07002	0.7
147.08061	5.5
149.09622	21.9
153.05489	0.7
153.09149	0.6
153.13779	0.6
155.07082	0.8
155.08421	0.6
159.08067	0.7
161.09612	1.0
165.09094	5.6
167.10669	23.8
171.06558	0.7
173.09657	0.9
177.05385	1.2
191.10675	1.1
195.06561	0.8
203.10789	0.7
208.96190	0.6
213.12761	0.8
229.12317	0.7
235.13475	1.1
239.09189	0.8
241.12070	0.8
243.98906	0.7
257.10162	1.0
259.13345	2.7
275.12802	0.7
277.14346	6.6
293.13727	1.1
295.15393	100.0
296.15787	2.1
297.16983	1.4
313.16431	63.0
314.16678	1.7
405.18973	1.0
409.09146	0.8
421.21600	0.6
423.19855	2.1
441.21207	18.1
459.22278	13.5
477.24863	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73869	5.7
53.03941	8.1
55.05499	18.3
57.03441	10.0
57.07069	4.4
61.02912	31.1
67.05499	41.1
69.03413	15.5
69.07065	14.2
69.23367	37.0
69.23778	12.3
70.06582	4.7
71.04991	8.3
73.02907	12.1
79.05490	42.0
81.03413	9.2
81.07053	51.7
83.04976	6.7
83.08622	9.4
84.04500	33.8
84.08123	4.8
85.02913	29.0
85.06530	7.0
89.34424	4.8
91.03943	19.2
91.05472	34.1
92.79188	4.2
92.84016	3.9
93.07047	57.3
95.04972	14.1
95.08600	31.3
97.02896	23.2
97.06556	7.2
99.04456	4.7
105.07029	46.5
107.04974	5.1
107.08597	39.7
109.10154	13.5
111.04445	5.7
117.07031	13.4
119.08574	41.7
120.04473	4.1
121.06471	4.9
121.10155	29.1
126.05496	30.1
127.03944	8.8
127.05859	5.2
129.07019	11.4
130.08621	4.4
131.08582	20.0
133.10129	30.0
135.11670	27.0
136.68866	4.1
138.05511	17.8
143.08549	9.2
145.10112	20.7
147.11670	23.9
149.13222	20.9
157.10133	11.8
159.11682	18.0
161.09554	5.1
161.13281	18.4
163.14821	7.3
168.06514	7.3
169.10158	4.7
171.11732	13.9
173.13242	11.6
175.14850	12.3
183.11864	3.9
185.13252	11.1
199.14790	7.9
204.08659	30.1
231.21042	5.7
241.19502	20.2
259.20572	48.5
264.22324	5.2
277.21689	9.0
287.05524	16.7
333.24136	9.5
351.25278	100.0
363.25208	4.8
367.22595	5.2
374.61807	4.5
403.24985	6.3
417.26569	8.5
441.26318	9.6
459.27411	9.6
477.28271	11.2
478.28326	8.3
495.29477	16.3
551.14490	4.2
640.28253	4.6
699.88818	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	675.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05651	3.1
63.02367	0.8
65.03911	0.6
66.70840	0.4
69.03422	0.9
70.06570	1.9
70.19386	0.4
71.17997	0.6
72.08155	10.0
74.06054	0.5
75.51911	0.5
80.26867	0.5
81.03400	1.3
83.84035	0.4
84.08140	0.8
85.02892	1.1
86.09698	0.7
89.03920	6.2
91.05472	6.8
95.04981	0.5
97.07661	2.1
98.06036	1.4
101.93380	0.5
103.05389	0.6
106.32800	0.4
109.02839	0.7
114.10284	16.4
115.08680	3.7
116.25563	0.4
117.03376	19.4
119.04105	0.8
119.04936	12.4
131.12923	4.6
131.27478	0.5
133.02856	0.5
134.03583	0.9
135.04428	1.5
136.07558	1.9
139.03931	0.6
145.02837	61.9
146.03194	1.3
147.04402	11.3
149.05960	6.7
157.04039	0.7
157.10881	2.5
162.03162	0.7
163.03923	0.9
167.07050	0.7
175.03905	23.2
177.05461	100.0
178.05766	1.1
179.07031	0.9
186.05475	1.6
192.04195	0.7
197.09221	0.8
207.06520	33.0
208.06973	0.5
232.12152	1.0
238.63225	0.5
247.14349	3.1
248.12817	3.3
290.14999	7.3
305.16208	0.6
307.17603	9.1
314.16934	0.6
315.04706	0.6
330.50470	0.5
332.16220	0.5
351.10904	1.5
374.17114	0.9
513.25311	0.8
641.25488	0.5
675.28674	99.7
676.28894	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	675.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61137	0.5
53.03917	0.4
55.02969	0.5
55.05480	0.6
56.48002	0.4
60.04469	0.5
60.05614	2.0
60.13396	0.5
65.03912	1.2
65.43411	0.4
69.03383	0.4
69.53066	1.1
69.53474	3.0
70.06557	1.0
72.08151	9.5
79.69662	0.5
81.03402	1.2
84.04493	0.5
84.05589	0.9
84.08105	0.6
85.02895	0.8
86.09676	0.5
89.03905	4.6
89.10779	0.6
91.04982	0.7
91.05473	7.6
97.07622	1.8
98.06042	1.1
102.55046	0.5
104.64708	0.4
107.04888	0.5
108.04449	1.3
109.02843	0.6
114.10284	16.1
115.08681	2.9
117.03374	15.9
119.04117	0.9
119.04936	14.6
123.04453	0.6
126.05464	2.0
126.06564	0.5
131.12935	2.8
134.03618	1.1
135.04376	1.3
138.10236	0.9
139.08682	0.5
139.93388	0.5
145.02837	56.0
146.03154	0.8
147.04407	13.9
149.05977	5.4
151.75804	0.5
155.12886	1.7
156.11305	1.4
157.10843	0.9
163.03905	1.2
175.02347	0.7
175.03902	24.1
177.05458	100.0
178.05760	1.3
179.06979	0.7
180.11351	0.5
186.05453	1.0
197.13942	0.8
203.78644	0.5
204.04634	0.5
204.11371	0.6
207.06517	30.4
232.12044	0.8
247.14398	2.8
248.12827	3.4
265.15439	2.9
290.15005	5.7
307.17609	12.1
331.17789	1.7
332.16068	1.8
347.39603	0.5
349.18686	3.1
373.18921	1.3
374.17267	1.9
379.19647	0.6
383.77231	0.5
433.20828	1.1
631.18323	0.5
639.26941	1.0
657.28253	0.7
675.28925	56.2
676.29352	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	675.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01822	0.4
55.05473	0.5
61.02887	0.4
61.84811	0.3
64.49164	0.3
67.05439	1.1
69.03389	0.5
69.07003	0.4
69.80231	1.2
69.80663	1.0
72.62868	0.4
79.05416	0.5
80.10392	0.3
81.03396	0.4
81.06982	1.2
83.04914	0.4
84.04507	1.7
85.02862	0.6
91.05416	0.6
93.06979	1.3
95.08521	0.9
95.09082	0.3
96.04406	0.3
97.02824	0.8
105.06967	0.6
107.08549	0.7
109.02849	0.3
113.20481	0.3
119.08532	0.5
121.10075	0.6
123.59384	0.3
126.05534	2.4
131.08443	0.4
133.10078	0.5
135.11594	0.4
138.05443	1.6
146.05951	0.4
168.06522	0.4
174.09096	0.8
192.10075	1.0
204.08647	2.1
205.08916	0.6
273.66788	0.3
277.21759	0.6
425.16113	0.5
439.13849	0.5
440.14859	0.5
449.03152	0.4
453.16000	1.0
454.16663	1.0
455.12888	0.6
467.12714	0.7
467.18066	0.5
468.13907	3.0
469.14810	8.4
470.15472	2.5
471.16751	0.5
480.13806	0.5
481.14722	3.2
482.15851	13.0
483.16663	13.2
484.17215	3.1
485.18765	0.4
487.16177	0.7
495.16809	2.3
496.17435	7.0
497.18225	46.3
498.18747	5.4
499.14825	0.4
500.16479	0.8
501.17792	0.8
510.19180	3.3
511.19702	6.4
512.20715	1.8
515.19537	3.2
516.19910	0.4
523.16400	0.6
528.16235	3.2
529.16632	0.6
538.20178	1.2
541.17133	1.1
542.18121	2.9
543.17987	0.5
555.18677	1.9
556.19385	3.5
557.20331	4.2
569.20026	0.8
571.21722	0.8
575.21185	0.5
616.21906	1.4
617.21722	0.5
629.22723	0.9
643.24011	7.8
644.24719	8.2
645.24530	1.4
657.14734	0.5
657.25598	8.3
658.25891	0.6
660.24805	0.4
675.26605	100.0
676.26758	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	675.2295
Annotation	Glycobismine-E
Peak:m/z	Relative Intensity
55.01870	2.4
55.05505	3.3
57.03449	1.6
57.07082	1.9
67.05508	8.4
69.03426	1.6
69.07072	2.8
69.24155	4.3
69.24583	8.1
71.08610	2.3
74.93624	0.9
79.05482	6.0
80.27392	1.1
81.03432	3.4
81.07050	7.7
82.07381	1.0
83.04964	1.6
83.08618	2.6
85.02898	2.2
87.04448	1.4
91.05478	5.9
93.07051	7.8
95.04969	1.9
95.08590	4.2
97.02872	1.3
97.06527	2.6
97.10183	1.8
105.07050	6.7
107.04944	1.1
107.08580	4.1
109.02887	1.1
109.06577	1.3
109.10159	2.9
113.55074	1.0
117.07061	1.5
119.08556	5.3
121.06480	1.4
121.10194	1.7
124.55932	1.1
129.07019	1.7
131.08565	3.5
133.10143	3.7
135.11653	1.2
143.08568	1.7
144.76685	1.1
145.10188	2.5
147.11742	2.0
149.02307	1.1
149.09625	1.5
156.03535	1.1
156.53848	1.1
158.72063	1.0
163.11165	1.1
171.11700	1.6
193.05081	1.8
193.12201	1.2
227.12772	1.4
273.18530	1.8
275.20065	3.7
277.21606	1.3
291.19577	2.8
306.51578	1.1
314.27646	1.9
347.17380	2.6
347.67343	2.4
348.17642	1.1
370.10608	2.9
371.11722	1.1
384.12210	4.2
385.12927	15.2
386.13666	5.2
397.12701	2.5
398.13770	6.8
399.14587	24.1
400.15298	62.2
401.15863	5.1
410.13626	1.2
412.15491	8.6
413.16147	18.2
414.11359	1.6
414.16864	22.2
415.17484	3.7
416.14890	2.6
418.17627	1.2
425.16101	2.4
426.16647	3.1
427.18234	10.5
428.18661	16.1
429.19247	46.6
430.19498	2.8
441.15189	3.3
441.20276	1.7
442.16235	7.5
443.13434	4.3
444.14340	11.5
445.14273	1.2
447.20142	2.6
454.16519	1.2
455.17203	17.2
456.17899	7.4
457.15091	3.7
458.15857	3.4
459.16602	5.6
466.12656	1.4
467.13953	1.3
469.18796	2.8
471.17245	1.4
472.17780	4.9
473.18188	16.5
474.18552	1.6
481.15497	1.9
483.16446	12.6
485.19525	1.1
487.15933	4.5
491.19815	1.2
496.17288	1.7
497.18341	1.4
499.16208	2.2
501.17200	5.4
502.18741	1.9
511.19974	2.4
512.20374	1.5
513.35571	3.1
516.23718	11.5
525.17731	1.4
527.15143	5.8
529.21405	1.3
531.45502	1.1
539.19312	11.0
540.19421	7.2
543.22467	17.1
544.23248	32.9
545.23224	1.6
555.18524	3.1
560.22827	14.6
569.20386	2.5
570.20502	3.1
571.21869	55.2
572.22253	14.4
573.20233	3.0
575.24750	2.8
587.21533	5.7
588.22156	100.0
589.21906	5.0
599.22095	1.3
601.22095	3.2
603.24127	3.1
615.20886	6.6
616.20984	3.5
619.23871	3.3
623.39117	1.3
629.22351	17.4
631.23944	5.7
647.23254	4.8
657.21893	17.7
675.11658	1.6
675.23059	15.7
676.22552	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.4
56.05035	0.5
57.03429	0.2
57.75908	0.3
58.06605	0.5
60.07882	0.5
60.08163	6.5
67.05514	1.8
69.07053	0.4
69.80139	0.7
69.80554	1.2
70.08864	0.3
71.07368	3.5
79.05491	0.6
81.07043	1.2
83.04984	0.3
86.09707	30.7
91.05468	0.5
93.07038	0.5
95.04947	0.3
95.08586	0.8
98.98454	3.0
98.99045	0.3
104.10757	2.1
105.07011	0.4
107.08605	0.3
109.10133	0.6
125.00005	20.5
131.08664	0.3
136.06174	0.6
143.01016	0.3
174.09937	0.3
181.65378	0.3
184.07341	100.0
185.07593	0.4
230.70393	0.2
258.29984	0.3
288.42572	0.3
319.15198	0.2
409.78009	0.3
674.43982	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	673.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01868	8.7
55.05505	24.5
56.72681	4.7
57.03439	7.7
57.07063	12.0
67.05508	87.2
69.03432	34.0
69.07056	18.3
71.04987	10.1
71.16293	4.7
71.58824	7.3
71.59214	5.9
79.05495	58.9
81.03419	34.9
81.07059	100.0
83.05001	10.3
83.08610	25.3
85.02890	8.2
85.06535	7.0
91.05474	56.0
93.07050	62.5
95.04952	23.9
95.08612	48.4
97.02887	17.1
97.06519	14.5
97.10185	5.9
103.05477	4.6
105.07015	49.6
107.04951	6.4
107.08588	31.7
109.02853	6.2
109.06494	7.9
109.10159	15.4
111.04405	7.4
111.08120	7.3
115.03937	5.5
115.05481	4.5
117.07026	22.0
119.08595	27.5
120.73292	5.1
121.06483	10.1
121.10152	26.7
123.08099	8.2
123.11727	5.3
129.07016	12.2
131.08553	26.3
133.10117	21.3
135.08023	7.5
135.11690	12.1
136.06200	14.1
143.08582	10.5
145.06439	6.3
145.10109	16.8
147.11694	8.8
149.09624	5.8
149.13286	18.6
155.08630	10.1
155.74042	4.9
157.10123	9.7
159.11713	22.5
161.13342	5.1
163.11182	6.2
172.90555	4.9
173.13351	5.6
195.13815	6.1
201.12753	6.3
207.13792	4.8
239.23700	5.1
269.17432	14.1
303.05032	59.4
343.64520	5.1
351.23395	6.5
369.24310	6.8
461.28690	7.0
576.70105	6.2
611.37543	5.2
655.41663	8.3
673.32605	5.3
673.41962	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.4
57.03447	3.5
57.07077	32.6
57.34939	0.6
61.02927	9.2
67.05505	10.6
68.12818	0.5
69.03429	1.1
69.07070	6.5
70.64616	1.8
71.08630	23.6
73.02917	4.2
75.04469	2.1
79.05488	1.5
81.03399	0.7
81.07053	13.5
83.08620	11.1
85.02908	13.0
85.10184	15.5
87.04477	0.9
91.03956	9.4
91.05473	0.9
92.04308	0.6
93.07008	1.6
95.08610	19.0
97.02884	5.4
97.10161	6.1
99.11705	1.3
105.07011	1.1
107.08649	0.8
109.10164	9.1
111.11706	1.4
119.04838	0.6
123.11739	4.3
125.13222	0.6
127.03912	4.7
137.13246	1.6
145.04950	6.0
148.86290	0.6
149.02312	0.6
163.06020	7.6
215.83868	0.6
239.23692	23.7
257.24753	4.0
313.27359	100.0
314.27606	1.9
331.28418	22.3
475.32635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09883	1.0
55.05508	4.8
57.03435	4.4
57.06787	1.9
57.07074	34.0
61.02697	1.0
61.02930	10.9
67.05506	9.7
69.03413	1.6
69.07064	5.9
69.61684	6.2
71.08631	28.4
73.02919	2.9
73.24330	0.8
75.04462	1.6
79.05495	1.3
81.07053	13.9
83.08619	8.6
85.02901	13.4
85.10180	16.1
89.06044	0.9
91.03945	12.5
93.07033	1.4
95.08607	22.3
97.02895	5.9
97.10168	5.6
98.20840	1.4
99.04430	1.4
99.08097	1.0
99.11613	0.8
103.07673	0.9
109.10156	9.9
111.11751	1.1
116.69235	1.0
117.06994	1.5
123.11686	4.4
127.03902	5.3
137.13231	1.3
145.04953	5.8
151.14807	1.3
163.06033	8.5
184.68654	0.9
221.22612	1.7
239.23695	24.0
257.24796	4.0
313.27353	100.0
331.28400	25.8
468.30090	0.9
475.32614	2.3
487.20105	0.9
542.14221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.05508	6.1
57.03434	3.2
57.07077	31.1
61.02925	13.6
65.03947	0.9
67.05505	13.2
69.03416	2.9
69.07069	7.9
69.92918	2.0
69.93333	5.1
71.04972	1.0
71.08237	1.4
71.08630	25.2
72.32370	1.0
73.02904	4.9
74.41610	0.9
75.04474	2.1
79.05494	4.0
81.03416	4.9
81.07059	18.2
83.08617	11.1
85.02902	16.1
85.06513	1.1
85.10176	15.0
86.68930	1.2
89.06008	1.6
91.03943	12.9
91.05470	5.3
93.07018	3.9
95.04974	4.9
95.08606	21.8
97.02895	9.4
97.10171	6.1
99.04457	1.5
105.07020	2.8
107.04942	1.3
107.08591	2.5
109.06491	1.1
109.10142	11.1
111.11771	1.3
117.07017	2.3
119.08590	1.5
121.10188	1.0
123.11710	5.8
127.03923	7.5
129.06996	1.4
133.10123	1.3
135.11649	1.2
137.13240	3.1
141.18999	0.9
143.08536	1.3
145.04945	7.2
145.06114	1.4
155.08528	1.1
163.06020	8.8
170.32201	0.9
231.61363	1.0
239.23671	25.6
257.24786	3.6
313.27353	100.0
314.27664	2.0
331.28415	28.8
332.28931	1.3
391.11203	1.2
589.04700	1.3
636.39539	2.1
672.41425	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	671.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.4
51.43935	0.3
53.03946	0.7
53.37111	0.3
55.01863	0.5
55.05520	0.5
57.03425	0.7
61.02917	0.4
63.56591	0.3
65.03934	2.2
67.05487	0.9
67.52428	0.3
67.59595	0.3
69.03435	1.9
69.07065	0.5
69.76478	1.6
70.06578	1.4
73.02906	0.4
77.03907	0.3
79.05491	1.3
81.03406	4.0
81.07036	1.4
83.04961	0.6
84.04480	0.3
84.08128	0.5
85.02894	1.6
86.09700	0.5
89.03899	0.9
91.05477	28.4
92.05008	0.7
92.05782	0.4
93.07043	2.1
95.04957	1.3
95.08582	0.9
97.02886	1.4
99.04451	0.6
103.05461	1.2
105.03368	0.9
105.07005	0.9
107.04958	0.8
107.08566	0.4
109.02859	1.6
110.07063	0.4
111.00726	0.3
111.04463	0.3
115.05441	0.6
117.03375	0.5
117.06989	0.4
118.04179	0.4
118.06541	7.2
119.04938	38.2
119.08577	0.9
120.02102	0.3
120.05262	0.4
120.08064	0.5
121.02856	1.1
121.06466	0.6
121.10149	1.6
122.03682	0.3
123.04455	0.8
126.14494	0.3
127.03915	1.1
127.14088	0.3
129.03378	0.5
131.04912	1.3
131.08543	0.3
131.12943	0.3
132.02014	1.7
132.08034	0.3
133.06485	0.3
133.10081	0.4
135.04362	0.5
135.11697	0.3
136.05208	0.5
137.02330	2.3
137.05940	1.0
142.06473	0.3
143.04863	0.4
144.08083	2.3
145.02844	1.2
145.06525	0.4
146.03619	0.4
146.06010	9.0
146.07063	0.3
147.04404	31.6
148.04773	0.6
149.02357	1.7
149.05969	0.5
149.09637	0.9
150.03142	0.5
153.01820	2.4
153.05415	1.1
157.03989	2.7
157.10091	0.4
159.07991	0.3
161.05969	0.5
161.09644	0.4
162.03160	0.4
163.03856	0.9
164.04672	1.2
165.01851	1.4
167.07047	1.3
170.05992	0.5
174.03204	0.4
175.03900	49.8
176.04250	0.8
177.05481	1.0
179.07024	2.8
183.02945	0.6
183.14926	0.3
188.07048	4.4
191.06917	0.4
192.04160	0.9
199.07529	0.3
201.05450	1.1
202.15919	0.6
207.06517	100.0
208.06856	1.8
219.10077	0.5
229.04959	2.5
230.13083	0.5
230.15384	10.4
247.06099	0.5
248.16312	0.8
257.04443	1.2
259.22409	0.3
274.04871	0.4
276.08121	0.4
285.03830	0.9
291.08643	0.4
301.06998	0.4
303.04980	42.8
304.05334	1.1
304.19092	3.9
307.09583	0.8
322.20102	5.7
339.12204	2.3
351.10645	3.5
351.13931	0.3
369.11780	6.2
457.94440	0.3
484.25522	2.5
491.25714	1.9
509.26407	3.6
653.29773	0.6
671.20593	0.4
671.31830	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	671.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11277	0.2
51.36388	0.2
51.72380	0.2
53.03955	0.3
55.01865	0.4
56.92447	0.2
64.58727	0.2
65.03939	1.7
68.99786	0.7
69.03422	0.7
69.71024	0.8
69.71440	0.3
70.06589	0.2
71.04971	0.2
73.02921	0.2
76.03150	0.2
77.03925	0.5
79.05488	0.2
81.03413	4.3
85.02911	1.2
89.03896	0.7
91.05476	16.8
93.03399	0.2
95.04955	0.4
97.02905	0.3
99.04436	0.6
103.05441	0.3
105.03378	0.4
107.04934	0.3
109.02870	1.5
111.00779	0.5
113.69492	0.2
118.04137	0.2
119.04935	24.5
120.05241	0.3
121.02869	1.0
121.10120	0.3
122.03631	0.4
123.04410	0.2
127.03919	1.9
129.03403	0.3
131.04872	0.3
132.02075	1.0
133.02791	0.2
135.04399	0.7
136.05235	0.4
137.02339	6.1
137.03398	0.3
145.02826	0.5
147.04399	24.6
149.02359	1.5
149.09540	0.2
153.01833	2.6
155.04855	0.2
157.03973	1.5
160.51202	0.2
161.05939	0.3
161.80618	0.2
162.03085	0.2
163.03961	0.8
164.04686	0.8
165.01807	1.0
171.02907	0.5
173.05943	0.5
175.03897	41.8
176.04315	0.4
177.05470	0.3
179.07016	2.0
183.02863	0.4
183.04321	0.3
187.03972	0.3
192.04176	0.6
199.03859	0.2
201.05457	0.8
207.06514	100.0
208.06816	0.8
225.07581	0.9
229.04933	2.5
247.06027	0.4
257.04471	1.6
274.04715	0.4
285.03873	0.5
303.04974	55.0
304.05243	0.8
345.05893	0.2
351.10733	7.8
355.04150	0.2
364.93021	0.2
369.11783	3.2
397.52609	0.2
509.14261	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	671.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03929	0.5
55.01857	0.2
57.03422	0.3
63.02372	0.2
65.03936	1.7
67.01867	0.2
68.99786	0.7
69.03425	1.3
69.70182	0.1
69.70522	0.9
70.06583	0.2
71.04996	0.2
73.02888	0.1
74.06049	0.1
75.02364	0.2
76.03144	0.3
77.03915	0.7
79.05490	0.3
81.03410	4.8
81.07054	0.2
84.03723	0.1
84.08139	0.2
85.02901	1.3
89.03915	0.8
91.05476	22.0
92.05822	0.2
93.03387	0.3
93.07016	0.3
95.04986	0.7
97.02887	0.4
99.04452	0.5
103.05442	0.7
105.03379	0.4
105.07024	0.2
107.04945	0.3
108.05730	0.2
109.02872	1.7
111.00771	0.6
111.04398	0.1
114.29733	0.1
117.03374	0.2
118.04139	0.4
119.04935	30.8
120.05266	0.4
121.02869	1.2
121.06508	0.1
121.10113	0.4
122.03679	0.3
123.04433	0.3
123.51814	0.1
127.03911	2.3
129.03387	0.8
129.04341	0.1
131.04930	0.4
132.02051	1.4
133.02852	0.3
134.03569	0.2
135.04395	0.5
136.05203	0.5
137.02333	7.4
137.03314	0.3
137.05931	0.2
143.04849	0.1
145.02817	0.9
145.06467	0.2
146.03600	0.2
147.04401	27.2
148.04788	0.4
149.02324	1.8
149.05974	0.2
149.09618	0.2
150.03117	0.3
153.01830	3.0
157.02792	0.2
157.03949	2.2
159.04372	0.2
161.02335	0.2
161.05991	0.3
162.03122	0.3
163.03882	1.0
164.04701	0.9
165.01837	1.2
166.02756	0.2
171.02905	0.5
173.05960	0.3
174.03133	0.2
175.03894	47.8
176.04242	0.8
177.01772	0.2
177.05478	0.7
178.02609	0.2
179.07013	2.6
183.02898	0.5
183.04350	0.3
185.06046	0.1
187.03925	0.2
191.07014	0.1
192.04189	1.0
193.05046	0.2
195.02831	0.1
199.04123	0.1
201.05455	1.3
205.04994	0.2
207.06516	100.0
208.06822	1.5
211.03964	0.1
215.03371	0.3
219.03043	0.3
225.07587	0.5
229.04958	2.6
247.06001	0.5
257.04385	2.1
274.04739	0.6
275.05399	0.2
285.03922	0.8
303.04971	58.4
304.05319	1.3
333.69830	0.1
345.05942	0.2
351.10730	8.2
352.11136	0.2
369.11838	2.9
509.14264	0.3
615.00208	0.2
627.76758	0.2
636.08368	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	667.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63037	0.5
66.37591	0.5
70.06594	6.7
70.69161	0.5
71.04990	0.6
72.08134	1.2
74.06060	1.3
79.05492	0.6
81.07048	0.5
82.28234	0.5
84.08134	2.2
85.02902	1.9
86.09702	1.4
91.05470	2.1
93.07040	1.2
94.06549	1.1
97.02888	0.8
98.06055	0.6
98.20699	1.3
102.91106	0.6
105.07045	1.2
114.10323	0.8
117.03288	0.5
121.10118	0.6
122.06014	1.7
126.05520	0.7
129.10216	1.1
133.06451	0.5
134.06021	1.0
136.07578	6.5
137.05946	1.0
138.05519	1.1
140.07063	5.1
145.02867	2.6
146.06044	1.9
146.09639	1.1
147.04417	1.8
148.07518	0.7
149.05937	0.5
161.06000	0.9
163.03908	1.2
164.07079	11.3
166.08646	3.8
167.07155	0.8
172.03928	1.8
174.05522	1.1
176.07039	1.7
177.05466	5.9
181.13422	0.6
204.06523	3.4
206.08186	1.1
210.11549	1.8
222.11525	0.8
223.12239	1.4
235.12349	1.5
236.13171	1.0
237.10318	3.1
237.13916	1.6
238.11055	1.5
239.11722	2.3
248.09485	2.1
249.10173	4.2
250.11023	3.7
251.11795	5.6
253.13309	1.1
255.11546	0.7
261.12457	0.7
262.10962	0.8
263.11795	18.1
264.12509	3.8
265.09763	4.2
265.13376	15.7
266.10577	1.0
266.14172	1.8
267.11258	0.8
269.12830	1.4
275.11749	1.0
277.09857	1.4
278.10492	1.2
279.11276	18.4
280.11911	1.8
281.12985	1.1
282.13568	1.4
283.14432	0.9
287.13892	2.0
291.11267	4.6
292.11957	0.9
293.12921	3.5
294.13309	0.9
295.10751	1.7
296.11572	0.8
297.12332	9.0
299.50873	0.6
309.12338	39.4
310.13095	11.9
311.13898	7.7
312.14630	0.7
319.10675	3.9
321.12457	0.8
325.11874	0.8
331.13007	0.7
337.11801	29.9
338.12598	13.1
338.16483	1.0
339.13376	5.4
345.14566	2.1
351.13580	0.6
363.15231	0.6
369.14438	41.0
370.15198	8.4
371.15750	3.3
400.16400	0.9
434.17456	0.6
446.18146	0.6
452.22012	5.2
476.18222	1.0
478.19733	6.7
510.22348	100.0
511.22705	4.6
575.25629	0.7
599.24908	4.2
617.26147	2.8
631.27588	0.9
635.27234	2.8
667.30670	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	667.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24000	1.2
67.08285	1.0
67.89883	1.0
69.03430	2.8
69.07050	1.6
69.93216	6.7
70.06591	6.5
72.08153	1.6
79.05479	3.2
81.03414	2.9
84.08142	3.6
86.09704	3.7
91.05477	3.7
93.07052	13.4
94.06530	2.7
94.07359	3.6
95.04973	2.1
97.02898	1.8
98.20986	2.7
98.68877	1.2
105.07000	2.3
106.06557	1.8
107.08582	2.5
110.06046	1.2
121.10139	10.7
122.05988	5.8
122.10480	3.9
132.04440	2.3
136.07559	10.7
137.02310	2.1
140.07062	9.4
146.05968	3.4
146.09634	1.6
148.07558	4.9
149.09612	5.1
150.09972	2.7
164.07074	21.3
166.08646	18.1
172.03922	3.4
174.05499	3.7
176.07077	4.9
177.05525	1.7
178.04977	27.3
179.05354	11.2
190.04971	1.7
204.06529	3.2
206.04482	53.8
207.04822	26.7
211.12352	1.4
221.10789	1.2
222.11470	2.3
223.12274	2.6
235.08714	1.9
235.12312	2.3
237.10246	7.1
237.13814	3.0
238.11012	4.2
239.11777	7.0
247.12326	1.4
248.09518	3.3
249.10141	7.2
250.10950	6.2
251.11826	9.1
252.12506	1.2
253.13257	3.0
255.11311	1.4
263.11752	18.4
264.08780	1.6
264.12476	4.1
265.09720	7.8
265.13348	34.4
266.14084	2.3
267.11273	3.1
269.12680	1.9
277.09814	5.8
277.12576	1.4
278.10571	2.0
279.11246	45.8
280.11969	2.5
281.12875	2.3
282.13586	1.2
283.14380	1.9
284.19302	1.1
285.12399	1.7
287.05405	1.4
287.13898	4.5
291.11182	6.7
292.12140	2.7
293.12769	8.6
294.13708	2.3
295.10843	6.7
295.13974	1.8
297.12357	17.8
298.13092	2.0
299.05475	8.2
305.14752	1.9
309.12338	49.7
310.13086	23.3
311.13867	24.2
312.14810	5.7
313.11819	3.5
313.15274	1.9
319.10797	8.4
327.91986	1.1
329.06561	2.0
331.12866	2.8
337.11807	100.0
338.12549	28.7
339.13303	19.2
369.14456	18.5
370.14981	3.9
371.16028	3.7
399.15900	1.6
401.13498	4.2
450.20227	1.8
452.21814	50.8
453.21930	2.3
458.17410	2.6
459.17694	1.6
476.18039	5.1
478.19690	39.2
479.20160	2.0
494.18781	5.6
495.19684	1.7
496.20801	8.7
510.22391	25.4
516.19006	1.4
517.19171	12.7
518.19788	1.4
573.26862	1.7
575.24609	2.1
599.25201	5.3
617.26160	6.6
635.27100	21.9
636.27002	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01867	0.6
55.05510	1.0
55.30237	0.5
56.05054	0.5
57.03433	0.8
61.02918	0.7
67.05499	2.0
69.03434	1.6
69.07084	1.2
70.06594	3.5
70.07452	0.5
71.01341	0.5
71.04989	1.0
71.57773	1.0
72.08132	1.2
73.02927	0.9
77.42006	0.5
79.05479	2.5
81.03407	1.2
81.07063	2.1
83.04991	1.0
83.08630	0.8
84.04475	0.7
84.08144	1.4
85.02891	1.5
86.09711	1.5
87.86419	0.5
91.05482	2.3
93.07045	3.1
95.04964	1.3
95.08609	1.9
97.02879	1.4
97.06537	0.7
97.10128	0.7
105.07034	1.5
107.04961	2.7
107.08598	1.6
109.10162	1.0
111.04430	0.7
117.07078	0.6
119.04976	1.4
119.08565	1.7
121.10137	0.8
122.10546	0.6
124.25076	0.5
129.07036	0.7
131.08606	0.9
133.06471	0.6
133.10144	1.2
136.06180	5.3
137.06001	1.6
145.10104	0.8
146.05960	0.5
147.04411	4.1
147.11662	0.6
149.09641	0.7
162.07684	0.8
162.09079	0.7
167.07063	0.7
171.02533	1.1
175.03902	1.5
176.10699	0.7
177.05473	0.9
179.07089	0.6
183.58214	0.5
185.04243	1.0
187.05801	1.1
190.12215	1.3
193.04909	1.2
205.08359	3.0
207.06529	2.1
223.09355	1.0
284.12024	0.5
287.21481	0.5
299.09247	2.0
303.12027	0.6
305.13712	0.8
319.15152	1.0
321.12994	1.4
323.14664	1.7
335.14764	1.2
339.14014	1.1
353.15662	0.8
369.26364	0.7
401.29004	0.6
425.17810	0.6
440.14240	1.5
443.23825	0.9
449.31064	2.5
467.18951	12.6
468.19159	0.6
475.76840	0.6
483.18375	4.0
485.19913	6.4
505.23874	3.6
505.33759	1.3
519.25500	1.7
524.48120	0.6
605.29529	4.4
666.38519	1.6
667.29834	100.0
667.39026	11.7
668.30719	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
54.25278	0.7
55.01860	2.0
55.05516	4.1
57.03439	1.6
57.07060	1.3
61.02927	4.1
65.03944	1.2
66.19909	0.7
67.05502	11.0
69.03423	4.1
69.07051	2.2
69.83054	0.7
70.06579	1.0
71.04993	1.5
71.58804	0.8
73.02911	2.4
76.92751	0.6
79.05495	5.6
81.03412	3.8
81.07051	10.4
83.04964	2.0
83.08617	2.6
85.02889	5.2
85.06552	1.0
91.03952	2.9
91.05487	5.6
93.07042	7.8
93.73655	0.7
95.04961	3.5
95.08607	4.2
97.02888	4.7
97.06561	1.7
97.10189	0.8
101.02366	1.8
105.07026	4.7
107.04929	1.0
107.08595	5.2
109.02895	1.6
109.06509	1.3
109.10117	3.9
111.04430	0.8
111.08099	0.8
115.03999	0.7
117.07008	3.1
119.08567	3.7
121.06586	0.7
121.10149	2.4
123.08058	1.5
127.03945	1.2
129.05557	0.8
129.06955	1.0
131.08588	2.0
133.10133	3.2
135.08020	1.5
135.11676	1.4
137.09534	0.8
143.08553	1.9
145.10147	1.7
147.08032	1.0
147.11732	1.8
149.02362	2.2
149.09637	1.1
149.13283	2.7
151.07558	1.1
157.10153	1.2
159.11713	2.4
161.09657	0.8
163.11197	1.1
165.09164	0.9
171.11707	0.9
193.05006	1.9
195.13770	1.4
229.14296	0.8
235.13010	0.9
243.08345	1.3
269.17538	1.3
275.20215	1.4
349.23520	1.1
405.30148	1.3
453.20908	13.2
503.41873	0.8
665.34991	100.0
666.35333	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	665.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92023	0.4
54.39032	0.5
56.82370	0.5
63.35983	0.5
67.52426	0.5
70.34628	1.1
70.35035	1.6
78.84618	0.4
79.05484	0.7
81.07040	0.7
91.05444	0.5
93.07046	1.5
95.82586	0.5
97.02898	0.5
97.74889	0.6
105.07053	0.8
119.08587	0.7
129.06993	0.5
136.06161	0.5
185.04233	1.2
187.05846	0.7
207.10118	0.7
319.15192	1.0
333.13062	0.6
335.14618	3.1
337.16235	2.9
353.15793	1.2
421.96481	0.6
464.16208	0.5
481.20596	5.1
497.19965	4.6
499.21561	4.9
501.24768	1.5
503.26047	5.7
646.41437	0.5
665.31378	100.0
666.32111	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	665.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
67.05466	0.4
71.17457	0.7
71.17794	0.6
93.07043	0.9
108.40999	0.4
119.08527	0.4
150.22099	0.4
185.04185	2.0
187.05814	0.7
193.18762	0.4
227.42351	0.4
268.75443	0.4
275.12671	0.5
317.13733	0.7
319.15442	0.8
333.13089	0.6
335.14697	3.9
337.16245	3.7
353.15604	2.2
481.20300	4.0
497.19952	4.4
499.21445	4.7
501.24631	0.8
503.26202	6.7
665.31403	100.0
666.31885	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	665.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05513	0.7
57.74621	0.3
67.05505	1.1
69.03432	0.9
69.07057	1.1
70.06587	1.5
71.04990	0.5
71.17194	0.4
71.17527	0.6
72.08163	0.6
73.02907	0.6
79.05492	1.3
81.03413	1.5
81.07056	1.4
83.05000	0.7
83.08634	0.5
84.04497	0.5
84.08125	0.9
85.02908	1.5
86.03217	0.3
86.06070	2.0
86.09705	0.8
87.06458	0.4
91.05489	1.8
93.07052	1.7
94.06555	0.9
95.01344	0.4
95.04954	0.9
95.08605	1.7
96.08141	0.5
97.02879	0.6
98.06096	0.4
98.09698	0.7
105.07045	1.0
107.04973	0.4
107.08578	0.5
108.08104	0.5
109.02869	0.5
109.06498	0.6
110.06051	0.4
114.10353	0.4
116.10717	3.7
117.03336	0.4
117.11101	0.7
119.04967	0.6
119.08588	1.4
120.08111	0.9
120.08919	0.7
121.10118	0.7
122.06042	3.0
124.07590	0.8
126.05532	0.8
129.06866	0.4
132.08078	0.5
133.07646	0.4
133.10133	0.4
135.08047	0.4
135.11678	0.4
136.06169	5.4
136.07689	0.4
137.06024	0.7
137.09628	0.7
138.05571	0.4
140.07086	1.1
143.10728	0.4
145.02841	0.7
145.10130	0.5
146.06004	1.2
147.04465	0.7
148.07533	0.4
151.03899	0.5
152.05713	3.3
152.06923	0.6
154.04993	0.6
157.10124	0.4
160.07657	0.8
161.05989	0.5
162.07735	0.3
162.09100	0.6
163.03911	0.4
163.07588	0.4
164.07114	0.7
165.09055	0.5
166.05032	0.7
166.08543	0.4
167.07074	0.5
172.03905	0.5
172.07651	0.5
174.05527	0.7
175.08691	0.6
176.07130	0.6
177.05452	1.1
178.53700	0.4
186.09196	0.4
188.07002	0.5
190.05049	0.4
192.10191	0.5
196.07646	0.4
198.07787	0.5
200.07274	0.3
204.06593	1.5
206.08009	0.5
207.06580	0.6
211.08670	0.6
213.10275	1.7
214.08720	0.4
214.18016	0.9
215.18379	0.8
222.11513	0.5
223.08641	0.7
223.12372	0.4
224.13321	0.5
225.10260	1.8
226.11008	0.6
227.08347	0.5
227.11926	0.4
231.11473	0.5
232.09943	0.4
235.08751	1.1
235.12300	0.5
236.09366	0.8
237.10294	2.4
238.11008	0.5
239.08246	0.4
239.11832	1.4
241.09795	1.0
243.11186	0.4
248.09485	1.0
249.10233	8.5
250.10994	3.7
251.08252	2.5
251.11803	5.5
252.12483	0.9
253.09735	0.9
253.13467	1.0
255.11252	0.7
259.10620	0.6
260.09229	0.4
261.10291	1.4
262.10962	1.0
263.11850	5.1
264.12598	1.1
265.09766	1.3
265.13397	3.2
266.10345	0.7
266.14105	0.6
267.11212	0.6
273.12430	1.1
274.10803	0.6
275.11838	1.0
277.09702	0.9
277.13434	0.6
278.10400	1.7
279.11374	2.0
280.12244	0.4
281.09378	0.6
281.12930	0.5
283.10742	2.7
285.12482	1.1
289.13480	0.9
290.13550	0.5
291.11356	1.7
291.14307	0.5
292.08511	0.3
292.11972	0.8
293.12802	1.2
295.10742	0.7
296.11581	0.9
297.12289	2.1
298.13382	0.4
300.12299	0.5
301.12314	0.5
302.13635	0.4
303.13870	0.5
305.12912	0.7
309.12274	3.5
310.13144	1.0
311.13977	2.7
312.11783	0.4
313.12030	0.8
314.13348	0.4
315.10837	0.4
315.14349	0.4
316.14771	0.6
317.12540	0.7
321.12241	1.0
323.10440	0.8
324.11435	0.4
327.14651	0.6
328.14600	0.9
330.12369	1.7
330.16049	0.9
331.13474	0.6
332.13940	0.7
337.11722	1.1
338.12637	0.6
339.13657	1.1
341.11728	0.4
342.12552	1.4
343.13812	0.8
344.13965	1.3
345.14713	1.1
347.13907	0.6
349.11823	0.5
354.16278	0.6
355.13803	0.7
356.13983	2.7
356.17822	0.4
357.14798	1.8
358.15677	2.2
359.16580	0.5
360.17233	0.8
363.13409	0.7
368.13907	0.7
369.14584	3.4
370.15457	0.8
371.16312	1.9
372.13123	0.6
372.17154	1.4
373.14276	1.0
374.15027	1.1
374.19174	0.5
375.16852	0.4
382.15475	1.4
383.13718	1.1
384.17130	1.0
385.14883	1.0
386.14987	2.1
387.15884	1.1
388.16617	1.0
390.24731	1.0
391.25290	0.6
399.15771	0.5
400.16617	5.1
401.14566	1.2
402.18179	1.5
403.16440	2.1
404.16321	1.0
414.14139	0.5
415.14383	0.4
416.16119	0.6
417.17169	0.6
418.17911	1.8
428.15848	1.7
429.14697	0.8
430.17477	1.3
433.16812	0.5
435.17874	0.7
446.17056	8.4
447.17578	2.4
448.18848	2.2
456.15585	1.5
464.18140	5.9
474.16776	2.5
475.16409	0.7
488.18295	0.5
489.32889	0.9
492.17715	2.2
506.19174	4.6
507.18295	1.1
508.20630	1.2
524.20288	100.0
525.20581	5.8
566.27850	0.9
567.28516	3.4
569.24042	0.7
571.25720	0.4
587.24908	5.0
597.23511	0.8
605.25745	1.9
615.24554	2.9
633.25604	4.1
647.26135	0.8
665.26263	4.2
665.36389	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72427	0.5
52.12902	0.7
53.03940	0.9
55.01872	0.7
55.05503	0.8
57.03428	1.1
59.06116	0.5
65.03930	1.1
67.05490	1.9
67.20876	0.6
69.03413	1.7
69.07069	2.5
70.06595	4.2
71.04983	0.6
71.58115	0.8
71.58509	0.6
72.08145	1.4
79.05482	1.5
79.71160	0.7
81.03419	1.8
81.07047	2.1
84.04501	1.2
84.08140	2.0
85.02902	3.3
86.09696	2.4
88.04008	0.9
91.05483	2.4
93.07054	1.6
94.06555	1.4
95.04976	1.9
95.08588	1.4
97.02913	1.6
97.06559	0.7
98.06078	0.7
101.07132	1.6
107.04961	1.3
107.08599	1.2
108.04448	0.6
110.07168	0.7
115.05560	0.7
117.07027	0.8
119.04939	1.1
119.08603	0.8
120.08073	1.6
121.10095	1.2
121.61480	0.6
122.06026	4.0
123.04457	1.5
124.07584	1.9
126.05478	1.1
127.03941	0.8
130.05000	3.1
130.08617	0.9
134.05960	0.7
135.04375	0.6
136.07573	1.6
137.05988	1.9
140.07062	2.1
145.06482	1.9
146.06029	2.3
147.04416	1.8
147.07709	1.8
148.07558	1.4
152.07039	0.8
154.05025	0.9
155.08614	0.8
160.07521	1.2
161.06017	0.9
162.09167	0.6
164.07088	1.5
167.07039	16.8
167.79761	0.6
171.06682	0.7
172.03949	1.2
173.06024	2.2
173.13063	0.6
174.05429	0.9
174.09073	1.0
175.08774	0.7
177.05499	1.6
181.04950	4.2
188.07198	0.7
191.07132	0.8
192.10179	0.7
199.08717	1.0
202.08664	0.8
204.06535	2.1
206.08249	1.4
207.06453	1.0
209.10782	0.8
211.08739	1.4
213.10266	2.8
214.08690	0.9
223.08694	1.8
223.12233	1.4
224.09178	1.0
225.10249	2.0
227.08203	0.9
227.11664	1.0
228.10132	0.7
229.09700	0.8
229.57918	0.7
233.08083	0.9
233.10873	0.7
235.08675	1.5
235.12231	0.8
236.09447	1.2
237.10176	3.3
238.10965	1.1
239.08299	0.6
239.11725	1.4
241.09669	1.1
242.08237	0.8
243.11273	1.2
248.09349	1.2
249.10234	11.6
250.10979	3.6
251.08192	4.1
251.11763	7.9
251.14160	0.9
252.12601	2.0
253.09602	1.4
253.13377	1.7
257.09048	1.0
259.10812	3.2
261.10205	1.2
262.11093	0.8
263.11859	7.1
264.08704	0.6
264.12570	2.0
265.09811	2.0
265.13336	4.6
265.68933	0.7
266.14111	0.8
267.11292	1.1
273.12381	1.5
274.10770	0.8
276.12640	0.9
277.09814	1.8
277.13226	1.1
278.10306	1.0
279.11279	3.3
280.11932	0.9
281.09299	1.6
281.12875	1.3
283.10709	4.0
285.12415	1.5
289.13303	1.5
291.11285	2.3
292.11905	0.7
293.12881	1.3
295.10803	1.3
296.11563	1.8
297.12332	3.1
298.10605	0.8
300.12228	0.9
301.11667	3.1
302.12936	1.3
303.11151	1.6
303.14539	0.9
305.12671	1.0
309.12369	6.0
310.13110	2.2
311.13837	3.4
313.11823	1.8
314.13370	1.0
316.10886	1.0
316.14639	0.8
317.12701	1.2
319.12900	4.1
323.10205	0.9
328.14636	1.8
329.11755	1.2
330.12656	1.6
330.16159	0.9
331.16977	0.7
337.11395	0.7
340.11362	0.7
342.12714	1.5
343.13895	1.2
344.13943	2.4
345.14948	1.0
346.15662	1.4
354.16031	0.8
356.13901	3.3
356.17892	1.0
357.14859	2.7
358.15793	3.5
360.17072	0.9
369.14679	4.4
370.15521	1.1
371.16360	1.5
372.13110	1.3
372.17166	2.0
373.14111	2.1
374.14932	1.2
375.12335	0.7
382.15720	1.6
383.13943	1.4
384.17365	1.5
385.15134	1.4
386.15173	3.5
387.14804	2.4
388.16513	1.8
398.14975	0.7
399.15204	1.2
399.28653	2.4
400.16718	7.0
401.14136	1.7
402.18201	2.2
403.16409	2.5
404.16327	1.4
414.14386	0.9
415.15283	1.1
417.15549	3.8
418.17572	2.7
428.16144	2.8
429.15781	1.0
430.17688	2.3
431.15948	0.8
446.17087	15.8
447.16623	3.4
448.19016	4.5
456.15543	2.0
457.16077	0.9
458.17188	1.1
464.18207	7.8
474.16580	5.2
475.16415	0.9
476.18015	1.1
488.18494	1.0
489.19016	0.8
490.19678	0.9
492.17770	4.4
503.24789	2.6
506.19220	18.3
506.26608	0.9
507.18597	2.1
508.20694	2.8
524.20294	100.0
525.20453	5.4
569.23578	2.0
573.23212	0.9
587.24860	11.2
597.23834	3.1
605.25696	1.6
615.24316	6.6
629.25916	2.0
633.25366	6.9
647.27386	1.1
665.29816	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	665.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
54.74780	0.4
55.05496	0.8
57.03411	0.5
62.37167	0.5
67.05504	0.9
69.03426	0.5
69.07069	0.6
70.06579	1.1
70.98215	1.0
72.08128	0.6
73.20028	0.4
79.05518	0.5
81.03406	0.9
81.07078	0.7
83.28561	0.5
84.08145	0.9
85.02897	0.8
86.09727	0.4
91.05479	1.1
92.33271	0.4
93.07029	1.0
95.05003	0.7
95.08609	0.9
97.02879	0.5
105.07044	0.8
106.06514	0.5
107.04955	0.5
107.90371	0.4
109.02831	0.6
109.10137	0.5
117.64567	0.4
118.76981	0.4
120.08131	0.7
121.10136	0.4
122.06044	3.6
123.11671	0.5
124.03909	0.4
126.05492	0.4
132.08115	0.6
136.06181	0.9
136.07545	0.4
137.05978	1.4
138.05492	0.4
140.07062	1.0
145.02861	0.4
146.05974	0.9
147.04388	0.8
148.07581	0.6
152.05714	1.4
160.07559	1.0
164.06984	0.7
167.07095	0.6
172.03911	0.6
172.25119	0.5
175.08733	0.5
176.06981	0.5
177.05438	0.8
188.07039	0.6
190.04955	0.8
193.09872	0.4
200.09380	0.7
204.06508	0.7
206.08142	0.6
211.08734	1.4
213.10258	1.1
221.10768	0.9
222.11470	0.6
223.08786	1.1
225.06595	0.5
225.10265	2.0
235.08691	2.1
235.12300	0.6
236.09335	1.1
237.10181	2.3
238.10959	0.9
239.11813	1.2
248.09422	1.0
249.10214	9.6
250.10930	4.2
251.08116	2.8
251.11795	6.5
252.12633	1.1
253.09729	0.9
253.13480	0.9
259.10757	0.9
261.10181	1.6
263.11777	6.8
264.12561	1.6
265.09833	2.1
265.13370	3.0
269.06601	0.5
271.10461	0.6
273.12311	0.8
275.11777	1.1
276.12531	0.6
277.09698	0.9
277.13300	0.7
278.10315	0.9
279.11270	2.3
280.12128	0.6
281.09207	0.5
281.12939	0.5
283.10657	2.2
285.12372	0.7
287.11844	0.6
289.12976	0.5
291.11160	1.6
291.14706	0.8
292.11951	0.5
293.12823	1.2
295.10779	0.9
296.11609	1.6
297.12396	1.6
301.12112	0.9
302.13168	0.8
303.10992	0.8
309.12317	3.3
310.13071	1.3
311.13959	2.6
313.12216	1.4
314.13040	0.5
315.10754	0.6
316.14471	1.4
317.12567	0.9
318.12708	0.5
321.11938	0.5
323.10254	0.6
324.11087	0.8
326.16705	0.7
327.14319	0.8
328.14658	1.1
329.11810	0.6
329.15576	0.6
330.12418	1.9
330.16101	0.5
331.13025	0.7
332.13837	0.6
337.11728	0.8
339.13306	0.7
340.14362	0.7
342.12473	1.2
343.13531	0.7
344.14044	2.0
345.15201	0.8
346.15552	0.9
352.53818	0.5
353.15311	0.5
354.16113	0.7
355.13483	0.9
356.14072	2.2
357.14816	1.7
358.11749	0.7
358.15659	2.7
360.17218	1.0
363.13211	0.7
368.13977	0.8
369.14478	4.2
370.15335	1.1
371.16165	2.3
372.13135	1.0
372.17191	1.1
373.14264	1.3
374.15277	0.7
381.14624	0.6
382.15384	1.2
383.13528	1.3
384.17072	1.3
385.14828	0.8
386.14926	2.8
387.15912	0.8
388.16837	0.7
392.15875	0.6
399.15936	0.5
400.16565	6.0
401.13867	1.0
402.18250	1.4
403.16458	1.9
404.16238	0.9
405.17001	0.5
414.14407	0.9
415.15225	0.8
417.17087	0.6
418.17822	2.2
419.16165	0.8
428.16074	2.3
429.14606	1.0
430.17657	1.8
431.15198	0.7
434.16986	0.6
446.17075	11.6
447.17389	3.3
448.18994	3.0
456.15494	1.6
457.16031	0.6
464.18173	7.4
465.18872	0.9
474.16537	6.1
475.16501	1.0
476.18134	0.8
489.18527	0.8
490.19843	0.9
492.17624	4.4
506.19220	8.8
507.18329	1.4
508.20685	2.0
524.20270	100.0
525.20526	5.8
569.23914	1.2
587.25073	6.0
597.23456	1.2
605.25824	2.0
615.24438	3.6
629.25647	0.7
633.25531	6.6
665.28723	7.1
666.28882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15939	1.1
67.05518	1.4
68.30849	1.2
69.07062	3.4
70.05482	3.6
84.08124	3.4
94.06570	6.6
114.59281	1.0
122.06027	21.3
125.37444	1.1
126.77422	1.1
140.07062	37.5
144.04460	2.0
146.06009	13.0
147.06808	1.7
148.07567	2.5
152.07092	1.3
153.19514	1.1
160.07565	1.5
162.05528	2.4
172.03935	13.6
174.05499	19.9
176.07053	10.6
180.74467	1.2
190.04982	2.1
191.05768	2.9
192.06514	1.5
198.09229	1.4
199.08618	1.7
204.06554	24.4
206.08118	8.7
211.08557	1.8
212.09389	1.3
213.10266	2.0
215.11816	3.4
223.08496	1.3
225.10255	1.9
226.10997	1.7
227.11861	1.2
237.10229	2.7
239.11703	1.8
241.09729	2.6
243.11282	15.2
249.10295	3.1
250.10886	2.0
251.11896	2.4
253.09801	1.4
255.11349	1.9
256.11951	1.4
257.09213	1.3
257.12924	1.8
260.10989	1.3
261.12140	1.3
263.08157	1.7
263.11786	1.6
264.08893	1.3
265.09808	3.7
267.11328	2.7
269.09241	1.6
271.06088	1.3
271.10550	1.5
277.09848	2.6
279.11270	2.6
281.12723	1.9
283.10815	4.7
285.12329	23.8
287.10358	3.2
287.13702	1.2
293.77243	1.2
295.10754	1.6
297.12698	1.5
299.10361	3.4
301.12030	3.4
303.13367	28.9
304.14069	2.2
309.12445	1.5
313.11810	38.2
316.10818	2.3
316.14664	1.2
317.11624	1.6
318.16049	2.1
319.16730	2.0
323.10239	3.0
325.11935	1.9
328.14584	1.5
330.12326	2.7
330.16000	1.4
331.12878	11.9
332.13864	1.2
337.11789	2.3
342.12531	1.5
343.13617	2.0
344.13898	2.9
345.14441	17.2
346.15387	4.8
347.16235	3.2
354.12320	1.5
354.16333	1.5
355.12985	1.4
356.13931	2.4
358.11688	1.8
358.15491	2.5
360.17053	3.9
368.14166	1.8
370.15552	2.5
371.12439	2.7
372.13327	4.8
373.14215	3.1
374.14993	4.9
384.17285	2.2
385.14313	1.7
386.15057	10.1
387.15939	5.6
388.16580	6.4
396.13437	2.7
398.15143	2.2
399.32056	1.4
400.16684	2.9
402.14227	2.7
402.18790	1.5
403.15637	2.0
404.16092	3.8
405.16632	1.8
405.34222	1.3
406.17673	4.7
410.14877	2.1
414.14456	12.6
415.15286	15.4
416.16003	19.7
417.16565	1.5
418.17795	2.0
428.16095	4.2
429.16666	1.7
430.17603	5.7
432.15436	2.0
433.16464	5.7
434.17142	4.4
438.14243	1.8
446.16949	9.8
447.18039	2.4
456.15396	10.0
457.16064	3.4
458.17169	2.4
474.16635	35.2
475.17349	15.6
476.17999	7.1
488.18274	1.4
489.18814	2.6
506.19080	5.6
507.20038	2.6
524.19745	1.5
571.25415	2.1
573.23059	3.4
597.23468	11.4
615.24463	100.0
616.24762	4.3
633.25018	1.4
647.27423	2.2
665.29651	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	665.281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42422	1.2
55.01853	1.3
55.05502	3.2
56.05029	2.3
57.03448	1.7
67.05505	3.5
69.03426	3.1
69.07055	5.6
70.06584	7.7
71.58582	3.0
72.08157	6.8
79.05482	2.9
81.03425	3.1
81.07040	2.1
84.04504	2.9
84.08140	6.6
85.02892	5.2
86.09717	6.0
91.05494	4.7
93.07045	4.4
94.06567	9.0
95.05004	1.6
95.08614	2.0
97.02891	2.9
98.06000	1.8
102.05551	1.7
105.07016	3.1
107.04964	1.9
107.08585	3.2
108.08152	3.7
109.02880	2.7
109.10132	1.7
110.06033	2.0
114.10298	4.1
117.03446	1.5
119.04924	4.5
119.08595	2.1
120.08116	2.6
121.05304	1.5
121.10155	4.5
122.06027	21.2
123.04417	2.9
124.07603	1.9
126.48950	1.3
127.03928	2.5
129.10233	2.6
131.12929	4.4
134.05968	1.6
136.07562	1.8
137.05954	4.7
140.07054	37.0
144.04437	2.9
145.02814	7.2
146.06003	15.5
147.04393	9.7
147.06728	1.4
148.07556	3.6
149.90012	1.3
152.07114	1.6
153.01770	1.6
161.05978	2.1
162.05484	2.8
163.03955	1.9
166.08592	1.5
167.07066	4.5
172.03952	14.3
174.05502	19.0
175.03940	2.0
176.07068	9.2
177.05501	11.6
181.04883	2.4
190.05031	4.5
191.05734	2.9
192.06535	4.2
199.08704	2.7
200.09473	2.8
204.06573	24.3
206.08145	8.5
207.06497	2.5
211.08742	2.4
213.10245	3.3
215.11754	2.4
215.13658	1.5
225.10260	3.9
226.10973	1.6
227.11777	2.6
229.13417	3.8
236.09506	2.0
237.10304	4.4
239.11864	3.9
241.09766	4.1
243.11313	16.2
248.09402	1.5
249.10201	4.2
250.11008	1.9
251.11760	4.7
253.09787	3.1
255.11328	3.3
256.12067	1.4
257.12842	5.5
261.12509	2.5
263.08170	2.9
263.11850	5.7
265.09814	2.5
265.15613	1.6
266.10434	1.5
267.11240	2.1
269.09308	2.3
271.10620	2.6
273.12320	1.5
275.13919	2.1
277.09644	2.5
279.11249	5.0
281.09418	2.0
281.12674	1.4
283.10730	5.7
284.11539	2.2
285.09097	2.3
285.12311	28.1
287.10281	5.1
287.13812	2.6
289.12994	1.4
291.11325	1.3
293.09085	1.8
293.14963	2.1
295.10706	3.5
297.12268	2.2
298.13409	1.6
299.10281	3.2
300.11548	1.7
301.12003	3.6
303.05090	1.7
303.13348	33.1
304.14438	1.7
309.12305	4.8
313.11813	36.6
316.14392	2.0
318.16031	3.5
319.16733	1.8
321.14496	2.7
323.10239	3.0
323.13818	3.4
326.12717	2.1
327.13821	3.2
328.14407	2.9
329.11789	2.2
330.12332	2.3
330.15997	1.6
331.12833	18.7
332.13867	1.4
336.11111	2.0
337.11838	2.6
339.13434	5.0
341.15353	1.5
342.12265	2.2
344.13995	3.0
345.14563	15.3
346.15515	4.6
347.16373	2.9
353.11322	1.8
354.12302	2.7
355.12900	1.9
355.16953	1.4
356.13843	2.6
358.11792	2.2
358.15894	3.3
360.17041	4.7
367.12946	5.3
368.13812	5.5
369.14417	5.6
370.15622	2.5
371.12497	2.9
372.13354	7.5
373.14120	7.2
374.15015	4.1
378.18262	1.7
385.14136	3.3
385.91949	1.6
386.14862	12.5
387.15607	5.3
388.16519	7.4
396.13705	2.9
399.16116	1.4
400.16568	2.7
402.14307	3.2
404.15958	4.8
405.16855	3.5
406.17471	7.4
410.15326	1.6
414.14417	12.9
415.15186	15.3
416.16028	18.4
418.17685	2.6
428.16013	5.2
429.16891	1.9
430.17957	7.3
432.15417	3.9
433.16208	5.8
434.16898	6.1
446.17047	4.9
456.15891	7.2
457.16336	5.2
464.18051	1.8
474.16608	42.2
475.17279	14.2
476.17978	11.3
489.18869	2.9
503.24332	4.1
506.19150	3.0
508.20718	10.3
573.23688	3.9
597.23486	14.0
615.24463	100.0
616.24762	5.5
633.25000	5.0
647.26904	5.0
665.30457	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	665.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07048	2.8
69.84737	7.3
70.06573	3.4
72.08118	1.8
81.07049	1.4
84.08167	1.8
86.09695	4.8
93.07039	2.6
94.06554	3.0
98.21522	1.7
120.08112	2.4
122.06023	14.4
136.07597	2.0
140.07063	16.4
144.04362	1.5
144.90146	1.3
146.05974	6.0
148.07465	2.0
164.07042	3.2
166.08577	1.6
167.07077	3.2
170.00966	1.9
172.03903	12.4
174.05473	4.9
174.49916	1.6
176.07100	5.8
178.04927	2.2
204.06560	23.5
206.04498	4.7
206.08151	6.1
211.08577	1.8
225.10123	1.8
237.10242	3.4
237.13776	1.8
243.11244	7.0
247.08821	2.1
248.09409	5.0
249.10201	18.7
250.11111	3.5
251.11839	4.4
261.10074	3.6
261.12601	2.0
262.10962	4.0
263.11783	82.6
264.08939	2.2
264.12411	8.2
265.09857	4.4
265.13272	5.8
277.09637	17.2
279.11230	23.3
280.12115	3.1
281.12766	3.0
285.12277	12.5
290.10458	7.2
291.11261	32.3
292.11951	8.3
295.10834	16.8
297.12234	2.2
300.12561	1.8
303.07611	3.8
303.13373	16.1
307.10883	3.7
309.12271	38.0
310.13013	5.3
311.13910	5.2
313.11768	12.6
318.09888	5.6
323.10751	2.3
323.13892	58.2
324.14514	3.4
329.11188	1.7
331.12823	6.7
335.10269	3.6
336.11005	44.5
336.15030	2.5
337.11771	16.0
338.12561	4.6
341.15057	2.3
343.13028	2.0
345.14435	13.5
346.15414	2.3
354.12167	3.7
355.12949	7.3
356.13968	2.4
360.17279	2.0
367.12863	30.1
368.13644	41.4
369.14462	50.9
370.15262	15.4
372.13547	3.3
373.14536	3.0
386.14926	3.6
388.16422	2.7
401.13632	2.4
404.16214	2.3
406.17606	4.9
414.14444	5.8
415.15225	8.5
416.15952	10.1
430.17319	3.5
433.16199	2.9
434.16873	2.3
446.17203	2.4
456.15591	4.2
457.16620	1.9
474.16812	14.5
475.17346	10.4
476.18121	8.8
478.19727	20.0
489.18790	2.6
493.18222	6.8
494.19135	6.5
506.19122	4.9
508.20779	100.0
509.21198	3.1
510.15259	2.2
510.22342	36.8
524.20111	2.7
526.21576	7.2
573.23523	1.8
597.23309	5.5
612.68115	1.7
615.24493	47.0
616.24255	4.1
625.65570	1.9
629.25897	4.7
633.25616	2.6
639.79285	1.7
647.26892	4.6
655.60944	1.7
665.32153	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	663.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
57.03376	0.3
67.05495	0.8
68.75683	0.3
71.05002	0.4
71.57692	0.6
72.08147	0.3
73.02911	0.4
79.05499	0.4
81.07038	0.7
85.02903	0.6
91.05476	0.9
93.07047	0.7
95.04925	0.4
97.02924	0.4
105.07040	0.6
106.27452	0.3
107.08562	0.3
109.10180	0.3
110.19545	0.3
117.07016	0.3
119.08604	0.3
121.10162	0.4
136.06219	0.5
203.05162	0.4
210.30653	0.3
240.66791	0.3
243.08366	1.4
251.12660	0.3
413.17862	0.6
414.95166	0.3
445.25607	1.5
459.14764	0.5
473.17551	0.4
474.17654	1.1
501.27924	1.9
502.17236	0.4
517.19995	0.3
537.31989	0.3
558.20422	0.4
561.22046	2.4
562.22858	0.3
621.24158	4.6
635.34088	0.7
645.32977	0.5
663.33533	100.0
664.33887	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	58.9
58.70797	1.7
71.57533	2.2
91.05475	5.4
147.11653	6.4
153.06969	4.0
156.33897	1.7
164.06810	1.8
202.48215	1.8
214.11987	1.8
233.03534	4.9
251.04662	14.1
307.10867	2.3
327.07773	97.4
383.14047	74.6
425.77487	2.0
439.20334	67.1
495.26578	86.4
496.26822	2.1
551.32855	100.0
564.33014	2.3
592.54120	1.8
607.29901	2.8
607.39111	50.9
643.13367	2.3
663.45343	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	663.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
57.03454	1.2
62.72078	1.1
67.05504	1.6
69.03428	1.8
69.07066	1.3
70.06593	4.1
71.33733	1.4
79.05476	1.6
81.03421	2.1
81.07043	2.2
84.08160	2.0
85.02914	1.8
91.05485	3.2
93.07009	1.6
95.08630	1.6
97.02894	1.6
105.06980	2.1
107.08625	1.6
109.10139	1.4
117.68777	1.2
119.04916	1.1
119.08588	1.8
120.04449	2.0
120.08170	1.6
122.06056	1.2
123.04426	3.5
129.10323	2.0
133.85547	1.1
135.11729	1.1
136.06218	4.0
137.06000	1.5
140.07092	2.3
145.02855	1.2
146.05983	1.3
147.04419	1.8
147.08057	1.2
151.03917	2.3
152.07127	2.4
167.03453	2.6
172.03906	1.3
177.05516	3.0
184.07460	1.5
190.05049	1.7
223.12463	1.7
225.10268	2.3
227.12018	1.8
235.08752	2.9
236.09464	3.8
237.10239	9.8
238.10947	1.7
239.11847	2.1
245.69633	1.2
249.07837	1.3
249.10109	5.8
250.11092	3.4
251.11826	13.7
252.12578	1.9
253.09767	9.7
253.13353	1.4
254.10277	1.6
263.11789	2.4
265.09732	15.7
265.12494	1.6
265.13483	1.1
266.10599	1.6
267.11313	4.8
269.12762	1.7
277.09717	2.8
278.10550	7.3
279.07739	4.8
279.11316	21.2
280.12042	4.7
281.12775	1.9
283.10617	1.6
285.12256	1.2
291.11017	2.2
293.09229	5.4
293.12866	5.7
294.09973	3.2
295.10812	4.8
295.14380	3.3
296.11395	1.6
297.12238	6.2
303.05121	3.7
307.10767	4.3
308.11414	1.6
309.12271	9.4
311.10309	4.1
311.13873	2.6
312.10992	8.4
313.11935	2.9
318.09985	1.2
323.13940	2.2
324.11005	5.4
325.11829	16.4
326.12558	2.1
327.13376	51.2
328.14056	1.7
335.10333	3.7
337.11908	4.0
339.13385	100.0
340.13998	6.4
341.11285	1.5
352.10620	1.3
353.11188	5.8
354.12045	2.2
357.14243	1.4
367.12885	72.1
368.13657	11.4
369.14423	9.5
371.73505	1.4
385.13785	7.8
399.15540	15.9
400.16238	1.9
401.16962	2.0
458.17004	3.2
476.18094	2.8
480.21265	2.5
487.21109	2.1
508.20795	88.0
509.21072	3.7
511.08578	3.0
526.21735	11.2
540.23413	63.2
541.24011	2.3
599.25037	5.6
645.12231	2.4
663.30591	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24692	1.1
50.68577	1.0
55.05500	2.3
57.03424	2.1
60.06187	0.9
61.02929	2.2
65.03908	1.6
67.05489	3.3
69.03430	3.4
69.07056	3.5
69.59409	4.0
69.59844	4.8
70.06599	9.9
72.08134	4.0
73.02898	1.5
79.05485	2.2
81.03413	2.3
81.07050	2.5
83.04979	1.2
84.04489	2.8
84.08154	3.5
85.02908	6.4
86.09708	4.3
91.05477	9.0
93.07028	2.8
94.06574	3.4
95.04979	2.0
95.08601	2.2
97.02914	5.0
105.07011	3.1
107.08589	2.1
108.08135	1.4
109.02872	2.6
109.10151	1.8
109.13766	1.0
110.07178	1.5
116.07079	1.6
118.06583	1.3
119.04939	14.9
119.08560	2.6
120.04469	3.3
120.08110	1.8
121.06483	1.3
121.10105	2.6
122.06036	5.5
127.03862	1.3
129.10208	2.0
136.06178	4.0
136.07608	1.8
137.05966	1.8
138.05476	2.1
140.07062	4.6
145.02834	2.3
147.04411	38.1
148.04797	1.1
150.05527	1.1
151.03871	1.7
152.05641	1.1
159.11882	1.1
160.07541	1.3
161.05995	1.5
162.05498	1.5
162.07623	7.3
163.03929	1.8
175.03838	5.9
177.05493	4.4
184.07405	1.3
198.07906	1.3
199.08591	1.1
202.62558	1.1
207.06523	20.6
209.10796	1.3
211.08592	3.0
213.10252	3.0
218.08189	1.7
221.10765	2.1
225.10211	2.3
235.08594	4.9
236.09425	2.9
236.53061	1.2
237.10139	3.3
239.11752	1.6
247.08591	2.1
248.09416	2.5
249.10243	21.7
250.11014	5.1
251.11806	16.5
252.12520	1.2
253.09775	2.6
255.11185	1.2
257.09219	1.1
257.12869	2.4
259.10944	1.2
261.10272	2.8
262.10986	1.3
263.08197	3.9
263.11847	5.9
263.62906	1.2
264.08884	2.8
264.12579	1.8
265.09683	5.1
265.13315	1.7
277.09723	13.2
278.10507	2.8
279.11273	8.5
281.09189	5.4
283.10544	1.4
285.12296	3.3
291.11359	2.6
295.10648	5.6
296.11758	1.9
297.12411	2.1
301.12311	2.5
303.13354	2.1
309.12277	8.3
310.13235	3.0
311.13983	4.5
312.14935	2.8
313.12238	3.1
314.12903	3.3
315.05087	2.4
315.10086	2.0
315.13763	2.1
316.14517	2.8
323.10745	7.4
323.13901	6.8
324.14880	2.2
325.11804	2.4
326.13004	2.0
326.16489	3.4
327.14441	1.3
328.10800	4.3
328.14471	3.9
329.11655	7.7
330.12308	3.6
330.15729	2.0
331.13123	1.6
340.14432	3.6
341.11646	2.5
342.12405	7.3
343.13330	6.6
344.10297	1.4
344.13943	12.9
352.14334	3.6
353.11578	1.6
354.12411	2.5
354.16135	3.4
355.13004	7.2
356.13864	10.8
357.14627	6.4
358.11877	2.3
358.15530	8.0
359.12701	1.4
360.13483	1.8
363.15631	1.8
368.14026	3.8
369.10956	2.1
370.11505	2.5
370.15588	4.2
371.12399	1.7
371.16479	2.7
372.13107	6.8
372.17160	4.8
373.17831	4.6
376.12985	1.2
382.11386	1.4
382.15619	2.1
383.16168	3.2
384.12973	5.0
384.17505	2.2
385.13535	1.7
385.17831	3.2
386.14792	9.3
386.18814	2.5
388.12546	1.7
388.16940	1.3
396.13507	5.5
398.15176	5.4
399.15601	4.4
400.12045	6.9
400.16681	6.5
401.13657	1.9
402.14240	5.0
403.15500	2.0
404.15891	3.2
405.16418	1.4
410.14651	1.9
412.12616	1.8
414.13980	9.5
414.18893	2.2
415.15366	1.3
416.16022	4.5
417.16803	4.7
418.17621	4.2
419.14676	1.5
426.14355	3.4
428.16110	8.1
430.13965	4.4
432.15494	4.6
433.16043	1.9
442.18002	8.2
443.18964	1.3
444.15399	3.5
445.16489	5.8
446.17044	4.9
454.13943	7.8
455.14725	2.9
456.15402	4.3
460.18881	16.8
472.14981	15.5
473.08881	1.2
473.15790	39.2
474.16592	48.0
475.17258	2.2
476.18100	9.3
477.18811	3.2
487.17538	2.6
488.18054	4.9
490.16031	2.4
491.16827	1.6
492.17587	8.4
504.17694	14.8
505.18454	100.0
506.19217	43.0
522.18567	1.9
523.19391	13.6
595.21796	5.0
613.13208	1.3
613.22974	15.9
627.24042	5.9
631.23663	1.7
645.25562	19.6
663.26917	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	663.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
56.21603	0.7
57.03435	1.5
59.12011	0.7
65.01122	0.8
66.35318	0.7
67.05502	1.7
69.03411	2.6
69.07053	2.3
70.06594	4.7
70.56940	2.8
71.01362	0.8
71.04975	1.2
72.08138	2.8
73.02895	1.0
79.05480	2.4
81.03425	1.6
81.07040	2.5
83.04988	0.9
84.04500	1.3
84.08102	2.4
85.02906	4.2
86.09700	2.3
91.05465	3.8
93.07017	3.4
94.06556	1.7
95.04949	2.5
95.08586	2.0
97.02867	2.2
105.07024	1.6
107.08559	2.3
108.08131	1.2
117.03371	1.7
119.04924	3.1
119.08570	2.0
120.08116	1.5
121.10123	2.6
122.06020	2.6
123.04417	1.1
123.11726	1.0
124.16289	0.8
129.10242	1.3
131.04878	1.1
131.08546	0.9
135.04359	1.0
136.07582	1.0
137.05975	2.2
140.07039	2.6
145.02872	4.6
146.05934	1.2
147.04407	6.3
147.08006	1.0
149.09570	0.8
151.03893	0.9
154.08633	1.2
167.06979	1.4
175.03975	1.2
177.05475	9.4
193.04915	1.5
196.44144	0.7
207.06470	1.9
213.10101	1.7
221.10797	1.8
222.11606	1.0
223.12254	1.1
227.08174	1.2
235.08733	4.6
236.09395	1.7
237.10141	3.0
241.09491	1.0
247.08736	2.4
248.09331	1.8
249.10217	23.8
250.10982	12.3
251.11835	6.3
253.09711	0.8
259.10870	1.5
261.10254	5.4
262.10950	2.5
263.08102	3.4
263.11703	3.3
264.08914	3.8
264.12222	1.4
265.09778	8.8
265.12527	1.4
267.11279	1.2
273.09796	0.8
276.08881	0.9
277.09695	28.8
278.10495	15.5
279.11264	20.5
280.12057	1.9
281.09253	5.2
289.09515	2.1
291.07706	2.0
291.11200	2.8
292.08804	1.3
292.11938	5.3
293.09164	2.4
293.12808	8.7
294.13556	1.1
295.10785	2.2
301.11893	1.9
305.09198	7.9
306.09927	3.2
307.10834	11.7
308.11557	3.0
309.08633	5.8
309.12198	1.6
321.12244	1.7
322.13071	1.6
323.10275	4.8
323.13925	2.3
324.11136	2.2
325.12115	1.9
327.13748	1.0
328.10870	1.2
328.14478	2.3
329.11282	2.5
333.08673	5.7
334.09436	2.6
337.11761	4.6
338.12747	2.3
339.13464	24.1
341.12280	1.4
342.12335	1.9
342.15997	1.1
343.13101	2.5
344.13983	1.9
349.11829	2.0
351.09845	12.2
352.10468	5.6
353.11404	1.7
354.12244	1.9
354.16086	1.5
355.13235	2.8
356.13934	5.1
357.14874	1.9
358.15295	3.2
361.02179	1.1
361.13812	2.0
365.11325	1.9
366.12109	38.2
367.12872	100.0
368.13535	3.1
369.10974	1.9
370.11670	3.4
370.15826	3.8
371.16531	1.5
372.17331	1.7
380.13831	2.4
381.14597	1.0
382.11664	2.8
382.15973	1.2
383.12625	2.4
384.13275	6.7
385.13861	2.7
386.15070	6.3
388.12811	1.0
396.13272	2.2
398.15042	5.9
399.15601	3.7
400.16895	4.4
401.17715	1.2
402.14087	1.1
410.14899	1.0
411.12939	0.9
412.12625	1.9
413.13547	1.2
414.14410	5.0
416.15915	1.4
426.14346	6.0
427.14990	2.3
428.16138	5.2
429.16849	1.5
430.13687	1.9
432.15277	1.1
444.15552	3.2
445.16373	2.9
446.17624	1.4
454.14120	4.9
455.14716	2.1
456.15500	2.8
458.13232	3.0
472.15042	12.6
473.15796	42.6
474.16592	16.9
476.17728	1.7
486.36151	0.9
487.28778	1.4
490.16318	1.7
491.16998	4.4
492.17636	4.7
504.17572	2.3
505.18341	8.2
506.19193	36.1
507.19827	2.0
508.20645	1.1
518.44702	0.9
522.18573	4.6
523.19287	3.0
524.20184	9.2
583.03882	0.9
595.21564	3.7
604.62347	0.8
613.22943	25.5
627.24878	1.5
631.23657	3.5
645.25317	2.5
663.33044	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
53.86620	0.8
55.01865	2.8
55.05509	8.0
56.05006	0.9
57.03439	8.8
59.04994	2.1
60.71146	1.0
61.02915	1.4
62.07298	0.8
65.03943	1.5
67.05502	4.3
69.03428	54.7
69.07059	1.0
70.06590	1.8
70.83287	1.4
70.83632	1.9
71.01360	8.0
71.04987	6.4
73.02914	7.7
75.04488	8.8
77.03904	1.1
79.05490	13.2
81.03411	2.2
81.07055	8.1
83.04980	33.0
84.04490	1.5
84.08127	1.1
85.02902	32.3
85.06544	1.1
86.09720	1.9
87.04465	3.8
91.04964	1.6
91.05479	16.4
93.07040	100.0
94.07372	1.1
95.04976	9.4
95.08601	6.5
97.02882	13.1
97.06517	1.4
99.04465	3.3
103.05495	1.5
105.04510	1.2
105.07037	9.1
107.04997	2.1
107.08600	12.5
109.06496	1.8
109.10135	1.2
111.04444	19.9
111.08089	7.0
113.06003	2.2
115.03931	5.3
115.85124	0.8
117.06992	2.3
117.09190	0.9
118.09740	0.9
119.04865	0.9
119.08577	26.2
121.06491	2.5
121.10140	84.2
122.10485	1.3
123.08060	2.6
123.11722	2.9
125.06003	1.7
127.03874	1.2
129.05479	18.6
129.07011	2.6
131.08565	8.1
133.10129	1.6
135.08115	1.7
136.06183	2.0
137.05974	1.6
137.09599	1.7
137.52856	0.8
139.11169	5.0
143.08575	1.0
147.04398	1.0
147.08043	6.0
149.08409	1.3
149.09608	22.9
153.09161	0.9
159.08107	1.3
161.09625	1.7
162.07573	1.3
165.09116	6.4
167.10677	24.6
177.05518	1.4
177.09135	0.9
184.07419	2.2
191.10637	1.4
223.76555	1.0
225.07523	1.1
229.12375	0.9
231.13840	1.5
259.13235	2.7
263.12720	1.4
277.14374	4.1
281.13846	20.3
295.15399	85.8
296.15558	1.7
299.14865	3.5
313.16437	94.2
314.16879	2.4
374.14572	0.9
427.19791	5.1
445.20947	5.8
477.24722	2.2
511.04858	0.9
662.33533	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.1
55.01869	5.8
55.05508	16.3
57.03194	1.8
57.03437	24.4
57.07057	4.2
58.92918	1.4
59.04975	1.5
61.02923	87.7
62.18083	1.4
64.83927	1.5
65.03912	1.8
67.05499	47.5
69.03423	34.3
69.07065	17.2
70.40617	2.8
70.40984	2.3
71.01337	4.4
71.04972	5.5
71.08597	1.4
73.02914	30.1
75.04453	1.9
79.05488	19.8
81.03416	25.2
81.03873	2.8
81.07050	50.6
83.04954	4.0
83.08606	11.0
85.02900	100.0
85.06530	2.2
87.04456	4.9
91.03949	59.3
91.05464	13.1
93.07034	21.6
95.04958	4.9
95.08602	40.6
96.08919	1.3
97.02885	80.8
97.06522	3.5
97.10150	5.6
98.52634	1.5
99.04448	11.9
99.08076	1.8
101.02370	8.6
103.03933	9.2
105.07036	11.2
107.08580	11.3
109.02866	13.6
109.06501	2.2
109.10150	18.7
111.04430	3.3
111.11709	1.7
113.09583	1.6
115.03934	7.3
117.05509	2.9
117.07001	1.3
117.91448	1.1
119.08591	7.4
121.10143	9.0
123.04346	1.4
123.08105	1.8
123.11706	9.1
127.03905	35.8
129.05444	6.3
131.08572	3.9
133.10135	9.5
135.11688	4.9
137.05942	1.5
137.09595	1.9
137.13246	3.6
139.11162	1.4
145.04951	22.1
145.06610	1.5
145.10092	3.1
147.04250	1.2
147.11665	5.5
149.13216	5.6
151.11186	1.9
151.14874	2.2
159.06502	3.5
161.13237	5.3
163.06009	6.3
163.14825	3.2
171.06543	2.3
173.58253	1.6
175.14784	5.8
177.16249	1.7
183.06519	10.1
184.99304	1.3
189.16393	2.1
201.07591	7.9
245.22699	8.5
247.45700	1.4
263.23724	16.6
289.25275	1.3
305.24814	2.7
329.24759	2.1
337.27328	90.6
343.26392	1.4
347.25946	2.1
353.24533	1.6
365.26932	1.5
371.25769	3.8
389.26926	2.5
445.29221	3.5
463.30695	2.4
475.11060	1.5
481.31631	7.8
486.57245	1.6
499.32449	2.8
661.36499	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90469	0.3
53.03933	0.4
54.42572	0.3
55.05500	0.6
67.05486	0.7
69.03419	0.5
70.06584	1.3
71.04939	0.5
72.08144	0.8
73.02913	0.5
79.05491	0.7
80.05009	0.4
81.07043	0.8
83.04972	0.5
84.04498	0.4
84.08091	0.4
85.02884	1.2
86.09703	1.4
86.36403	0.4
91.05470	1.7
93.07030	1.5
95.04987	0.7
95.08582	0.6
97.02856	0.7
105.07015	0.5
107.08538	0.6
108.08131	0.6
110.07259	0.3
118.06517	0.5
119.04909	0.6
119.08574	0.9
120.08092	2.4
121.06486	0.4
121.10124	0.8
122.05995	0.4
125.33207	0.3
131.04860	0.3
134.05981	0.5
136.07533	0.4
145.02823	1.0
146.06007	0.6
147.04352	0.8
151.03873	0.6
152.07050	1.1
164.07039	1.2
166.08614	0.4
175.03917	0.5
177.05460	2.6
184.07317	1.1
192.06483	0.5
194.08125	1.8
207.06555	0.5
209.10835	0.5
223.12263	0.9
225.10210	1.0
229.32655	0.5
235.08653	1.0
236.09299	0.5
237.10231	2.0
238.11073	0.6
239.11775	0.9
240.12437	0.5
249.10217	5.4
250.10985	2.5
251.08121	1.4
251.11763	4.2
252.12631	1.0
253.09718	0.7
253.13223	0.6
254.10493	0.6
261.10275	0.8
263.08139	0.8
263.11615	0.4
264.08853	0.7
265.09692	7.6
266.10297	0.5
267.11176	0.9
268.12198	0.5
269.12866	0.5
277.09741	3.3
278.10483	5.5
279.07669	8.5
279.11279	9.0
280.11966	0.8
281.09079	0.5
281.13153	0.5
282.09979	1.0
283.14359	6.1
293.09262	1.8
293.12860	7.6
294.09680	0.6
295.10913	0.8
295.14386	0.6
296.11514	0.8
297.12338	1.4
301.15390	0.5
305.09232	1.5
306.09946	0.8
307.10703	2.6
308.11551	0.8
309.09061	0.6
309.12170	1.6
310.09564	0.7
310.12936	0.6
311.10309	5.9
311.13623	0.7
313.11844	1.3
321.12326	0.7
323.10104	0.8
323.14063	0.7
324.11011	1.3
325.11725	3.4
325.78125	0.4
326.12701	1.0
327.13745	0.4
333.08768	1.1
335.10437	0.4
338.12778	0.5
338.16592	0.4
339.13382	30.3
340.13956	1.3
341.11285	0.5
351.09824	3.0
352.10526	1.4
353.14944	2.0
354.12048	0.5
355.12955	0.9
356.13885	0.9
366.12051	3.6
367.12820	5.4
369.14404	1.8
370.15402	0.6
373.13904	1.8
380.13794	0.7
382.11932	0.5
383.12280	0.8
384.12946	2.7
397.13876	0.5
398.14682	4.0
398.19089	0.5
399.15494	100.0
400.15836	1.9
401.13547	0.7
429.16748	0.5
443.34644	0.4
444.18994	0.8
457.16238	2.5
458.16946	1.5
478.19705	0.5
483.29898	0.4
484.19107	0.4
489.18915	8.1
490.19568	1.4
538.21820	17.8
539.22693	5.2
597.23492	0.9
611.24799	1.2
629.25629	1.3
643.27362	0.8
661.34094	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13583	0.7
53.03940	2.6
55.01870	2.2
55.05515	10.0
56.17675	0.9
57.03440	8.4
57.07070	1.8
61.02924	2.8
65.03941	1.4
67.05504	38.5
69.03431	2.5
69.07070	14.6
71.04991	3.1
71.19466	2.1
71.92520	0.8
73.02935	1.2
79.05492	21.5
81.03417	3.2
81.07057	52.6
83.04986	4.7
83.08620	9.4
85.02913	2.2
85.06547	3.0
86.16531	0.9
86.94450	0.8
91.03953	0.9
91.05477	12.5
93.07044	40.4
93.97995	0.8
94.07372	1.0
95.04953	4.9
95.08598	13.3
95.09152	1.0
97.02916	2.8
97.06535	8.7
97.10185	1.4
99.08118	2.9
105.07029	6.0
107.04955	1.0
107.07875	1.3
107.08595	21.9
109.02900	1.1
109.06523	1.7
109.10162	2.9
111.08086	6.6
117.07024	4.8
119.08613	2.6
121.06544	0.8
121.10149	12.9
123.11669	1.6
125.09586	0.9
127.03906	0.8
131.08572	6.6
133.10130	5.2
135.08054	1.7
135.11694	5.1
139.11200	1.4
144.29053	1.0
147.11708	2.7
149.09657	1.5
149.12033	1.3
149.13254	23.1
157.10120	0.9
159.11705	9.4
165.12802	0.8
169.10188	0.8
177.12740	4.8
195.13834	8.2
195.15535	1.0
195.43292	0.8
213.14787	1.5
269.17480	58.3
270.17831	1.4
445.29514	1.1
463.30548	100.0
464.30978	3.1
480.15915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
53.54082	0.9
54.93868	0.9
55.01862	1.9
55.05518	8.6
56.96545	1.1
57.03435	5.9
57.07066	1.0
61.02913	2.8
67.05505	30.8
67.31108	0.8
69.03411	2.5
69.07072	11.7
71.04979	3.3
71.20344	2.2
79.05070	1.6
79.05493	22.5
79.71733	0.8
81.03415	3.7
81.07059	44.8
83.04994	4.5
83.08620	10.2
84.08134	1.3
84.31635	0.8
85.02921	4.3
85.06532	2.7
91.03976	1.0
91.04967	1.4
91.05482	15.9
93.07040	31.9
95.04953	4.0
95.08062	1.2
95.08607	14.4
97.02883	2.9
97.06539	4.9
97.10138	1.8
99.04410	1.0
99.08081	1.6
105.07030	11.2
107.04967	1.1
107.08588	17.2
109.06525	2.1
109.10149	4.1
111.08085	4.4
113.05983	1.1
113.43508	0.9
117.06998	8.5
119.08622	5.1
121.06515	1.7
121.10143	9.8
123.08026	1.4
123.11684	2.6
125.09661	1.1
129.06995	2.5
130.08627	1.8
131.08577	9.7
133.10132	8.6
135.08058	2.0
135.11673	6.0
143.08549	3.4
145.10124	3.6
147.11702	2.5
149.09613	1.6
149.13269	13.8
151.11198	1.6
155.08527	2.2
157.10143	2.1
159.07991	0.9
159.11668	8.1
163.11169	1.4
169.10132	1.4
171.11693	1.9
173.13153	1.4
177.12717	3.8
183.11713	1.4
184.07242	1.2
185.13206	1.8
187.14845	1.1
193.12279	1.4
195.13797	7.7
217.45039	0.8
229.07382	1.4
247.08635	1.6
251.16475	2.4
268.24905	0.9
269.17459	30.7
292.19034	1.4
329.29874	0.8
349.16782	2.7
350.17337	1.8
353.24783	2.5
367.17847	1.4
368.18420	1.0
371.25793	3.6
373.26248	0.9
389.27005	2.4
427.28525	1.1
445.29556	17.1
463.30536	100.0
464.30768	3.0
481.31293	2.3
607.34882	2.9
660.45575	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01870	1.5
55.05516	8.9
57.03436	5.8
61.02921	3.5
65.03926	1.2
67.05505	37.1
69.07063	10.5
69.90788	3.5
71.04987	3.3
74.30331	0.9
79.05492	22.3
79.27631	0.7
81.03406	2.2
81.07054	47.5
83.04985	3.8
83.08607	8.2
85.02893	4.1
85.06551	2.5
91.03973	1.2
91.05482	17.0
93.07041	33.3
93.07632	1.6
94.07388	0.8
95.04944	4.8
95.08601	13.4
97.02896	2.0
97.06510	5.9
97.10188	1.4
99.08066	0.9
105.07024	8.2
107.04943	1.1
107.08590	19.5
109.06506	2.1
109.10179	3.4
111.08088	3.3
117.07015	6.8
119.08566	3.7
121.06548	1.4
121.09253	1.0
121.10130	10.7
123.08092	1.5
123.11726	2.8
125.09653	0.9
129.06998	2.6
131.08545	9.2
133.10114	9.4
135.08070	1.2
135.11682	4.8
143.08583	1.9
145.10124	2.7
147.11681	2.1
149.09697	1.4
149.13261	13.3
151.11200	1.3
155.08539	1.2
157.10130	1.2
159.11688	7.3
169.10130	1.0
171.11734	1.2
177.12769	3.9
188.23819	0.9
195.13812	8.3
195.15601	1.1
213.14967	1.1
242.36578	0.8
251.16431	1.7
253.77757	0.8
269.17471	30.3
270.17792	1.3
297.16809	0.8
353.24908	1.9
371.25790	2.2
389.27045	1.6
445.29520	14.6
446.29242	1.1
463.30530	100.0
464.30780	3.3
607.34833	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01856	2.1
55.05500	8.4
57.03432	6.2
57.49241	1.6
65.43284	1.7
66.94956	1.7
67.05515	5.9
67.43685	1.8
69.03431	50.3
69.07078	2.2
69.59869	14.5
71.01350	7.6
71.04998	19.1
75.04485	11.8
79.05480	13.7
81.07050	11.5
83.04979	42.0
84.04491	3.5
85.02905	49.0
87.04470	4.9
91.05464	17.4
93.07040	100.0
95.04980	9.5
95.08597	5.9
97.02907	7.4
99.04447	2.9
105.07024	8.8
107.08606	8.9
111.04450	29.4
111.08093	7.5
113.05987	2.4
115.42796	1.7
119.08624	10.0
120.04468	5.0
121.06481	1.9
121.10141	84.5
123.08036	1.8
123.11704	5.0
125.05975	1.9
126.05517	4.1
129.05486	28.2
130.19049	2.0
131.08571	7.7
133.10120	2.2
138.05460	2.2
139.03897	2.5
139.11185	7.4
149.09616	22.2
149.10741	2.1
167.10669	27.8
184.07381	3.6
231.68127	1.9
239.09174	2.3
257.10056	2.3
277.14401	6.1
295.15396	70.8
296.15689	2.9
313.16425	54.4
400.15851	2.2
401.17249	1.9
423.20526	2.3
441.21216	16.2
459.17126	1.6
459.22394	21.2
461.25061	2.5
475.17026	1.8
628.24402	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	660.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.05509	10.8
57.00161	1.7
57.03422	7.2
61.02900	1.8
67.05494	5.1
69.03430	58.9
70.74511	3.9
70.74891	2.7
71.01347	10.0
71.04655	2.1
71.04998	23.4
75.04480	11.0
79.05496	17.5
81.03407	3.8
81.07043	9.9
83.04980	44.9
85.02907	58.1
86.09696	3.1
87.02221	1.5
87.04469	3.7
91.05475	14.9
93.07044	100.0
95.04952	8.4
95.08589	7.7
97.02930	2.2
98.80949	1.8
99.04457	3.7
105.07002	11.8
107.08581	12.6
111.04449	33.2
111.08083	6.3
113.06062	2.2
119.08590	10.6
121.06442	3.2
121.10143	90.2
123.08080	3.1
123.11688	5.8
129.05475	30.1
131.08560	7.7
133.10225	1.7
133.54810	2.0
139.11185	7.0
145.10118	2.2
149.09621	28.3
167.10683	26.8
184.07379	8.3
206.37143	1.7
213.12688	2.1
219.53185	2.0
221.54526	1.6
241.13271	2.5
242.13795	2.5
259.13342	3.1
269.12784	1.9
277.14255	8.9
295.15390	82.2
313.16446	57.0
352.91562	2.1
441.21362	15.9
443.24139	2.1
459.22269	14.5
481.54947	2.1
630.12885	2.3
661.31201	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	660.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
53.19708	0.9
55.01878	1.0
55.05507	5.2
57.03430	6.5
61.02932	7.9
67.05500	31.3
69.03423	2.9
69.07077	4.8
69.63174	3.2
69.63598	3.4
70.06593	1.4
71.04990	8.5
73.02911	3.1
77.85996	0.8
78.95847	0.8
79.05494	9.9
81.03398	3.2
81.07052	46.1
83.04990	3.3
83.08603	6.2
84.04497	1.3
85.02896	9.8
85.06535	6.2
91.03944	6.8
91.05481	11.3
93.07037	22.9
95.04971	2.3
95.08581	6.7
97.02888	5.0
97.06521	5.0
99.08093	3.1
103.03939	1.5
105.07032	5.2
107.08582	8.5
109.02872	1.3
109.06540	1.1
109.10160	3.5
111.08058	2.6
117.07034	5.6
119.08568	1.9
121.06497	1.0
121.10124	5.7
123.11681	7.3
127.03896	2.6
131.08563	5.1
133.10120	11.3
135.11684	4.7
145.02911	1.6
145.04959	2.3
149.13255	13.0
151.11139	5.8
159.11685	21.0
159.13020	1.0
161.13237	3.0
163.06023	3.0
173.04561	0.9
177.05461	1.9
177.12747	32.0
179.14249	5.8
181.04909	1.0
187.13333	5.6
195.13762	5.5
207.06607	1.2
243.15915	27.4
251.16383	9.9
257.17389	2.4
269.17462	100.0
270.17850	1.2
279.36581	0.9
301.20056	15.6
304.23627	1.2
395.20743	1.5
413.21722	1.1
445.24268	16.3
454.15961	1.4
497.18027	1.0
498.18185	3.1
501.40265	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42455	1.8
51.02388	1.9
53.03963	2.4
55.01871	7.8
55.05505	2.8
56.05036	1.9
65.03942	2.8
67.05505	24.3
69.03431	8.6
70.06599	4.4
71.17238	2.8
72.08173	2.4
79.05505	6.0
80.04966	1.4
81.03429	1.6
81.07059	7.4
83.04976	2.0
84.08118	1.4
85.02921	5.5
86.09722	1.8
87.04493	2.2
91.05487	17.5
93.05817	3.0
93.07047	34.5
95.04966	8.3
97.02898	71.9
105.07044	3.9
106.06578	8.2
107.04952	2.3
107.08606	4.4
108.08123	78.0
109.06544	3.3
110.07249	1.3
111.04470	1.9
111.08092	9.2
115.03917	3.8
115.05463	2.0
117.07071	2.2
119.08579	7.0
121.06459	2.3
123.04426	1.8
124.07615	6.9
126.09176	1.6
127.03945	2.3
131.08566	1.4
134.06024	36.1
135.04419	1.5
135.08102	3.5
136.07582	100.0
136.91171	1.4
137.06006	1.7
137.08418	2.4
137.09608	1.8
139.03876	1.4
147.04474	2.4
147.08069	3.8
152.07068	85.1
154.08653	3.6
161.09700	1.7
161.39061	1.5
163.03984	2.2
163.07539	2.8
164.07054	1.9
165.09164	4.5
166.08656	2.8
169.04988	2.2
184.07260	3.9
184.09697	65.7
187.06032	4.2
189.09148	2.4
191.67465	1.6
222.39883	1.5
261.11194	1.7
302.11118	1.5
304.93375	1.5
314.12311	18.3
346.14969	66.3
430.30536	1.6
448.19580	1.4
480.22360	2.3
622.02185	1.5
628.25873	7.4
660.28625	74.5
661.28949	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25446	0.8
55.05497	2.5
56.96563	42.2
67.05503	3.8
69.03419	1.1
69.07060	1.8
70.65388	2.8
71.95250	2.7
72.96036	1.7
74.97617	1.1
79.05492	3.5
81.03423	1.1
81.07048	4.9
83.08627	1.3
85.02905	1.0
91.05465	3.1
93.07034	3.5
93.57767	0.8
95.04956	1.5
95.08594	2.5
97.06512	0.9
105.07027	2.4
107.04982	0.8
107.08558	1.3
109.10145	1.4
115.00721	1.3
116.98595	1.4
117.07012	1.1
119.08585	3.1
119.58066	0.9
121.06492	1.0
121.10128	2.2
123.01180	1.7
123.04435	0.8
128.98615	2.5
130.60280	0.9
131.08549	2.2
133.10112	1.4
134.34024	0.8
135.11697	0.9
141.02231	1.4
145.01726	1.0
145.10127	1.0
146.99652	4.1
147.04391	1.4
147.11694	1.6
149.09563	0.8
155.03813	2.6
157.01749	1.3
159.03271	1.9
159.11703	1.5
163.02789	1.1
165.00648	0.9
167.03773	1.1
169.01740	1.8
169.05333	1.3
171.03294	5.1
173.04866	1.7
175.02875	1.1
181.05336	1.7
183.03352	1.0
183.06848	1.1
185.04875	5.7
187.02763	1.4
187.06398	1.0
189.04366	7.3
195.06854	1.5
197.04947	1.0
199.06378	8.1
199.07771	0.8
201.04433	1.1
203.05923	8.6
205.07378	1.5
207.07024	1.4
209.04971	1.3
211.06410	3.6
213.07979	16.9
215.05957	1.0
217.05400	1.3
217.07443	13.8
221.08595	1.7
223.06445	1.1
225.07985	8.8
227.09547	2.2
229.07509	3.4
231.06851	2.3
231.09018	30.6
236.09473	1.0
237.04269	1.1
237.07985	3.0
239.09654	5.8
241.11215	2.1
243.09074	7.8
245.10674	4.2
246.13870	0.9
249.07889	3.8
251.09476	12.5
255.09018	21.1
257.10580	4.8
259.12143	1.5
266.10577	1.2
267.09021	28.0
267.15726	0.8
269.10599	100.0
270.11057	1.8
273.10074	16.1
275.20120	2.4
278.10638	1.8
279.09030	1.5
280.09933	1.0
285.10086	41.4
286.10645	1.3
287.11649	49.9
288.12192	1.1
290.10629	3.3
292.12183	15.9
303.11026	5.2
308.11627	3.2
310.13269	3.2
317.06650	1.0
331.15768	7.8
349.16827	26.0
367.17908	81.3
368.18381	2.4
372.18463	2.5
385.18973	14.1
390.19461	16.1
408.20135	1.3
463.23682	2.6
547.29138	1.1
561.30792	6.0
641.36450	1.1
659.38135	27.3
660.38818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.8
56.96297	2.0
56.96567	38.3
57.03437	1.4
67.05496	4.5
71.58283	1.8
71.95264	3.2
72.96037	1.2
74.97626	1.2
77.91724	1.1
79.05499	5.0
81.03422	2.4
81.07038	6.8
81.44122	1.2
83.04317	1.2
85.02895	1.6
91.05492	3.9
93.07047	4.5
95.04965	2.3
95.08619	2.3
97.06513	1.7
104.68069	1.2
105.06976	3.1
107.04964	1.9
107.08582	3.2
108.19805	1.4
109.06532	1.4
109.10122	1.6
110.97578	1.4
116.98660	1.3
118.06445	1.3
119.08605	3.3
121.10149	2.6
123.01210	1.9
123.04445	1.6
128.98572	3.0
129.06960	1.8
131.08543	2.2
133.01723	1.5
133.10135	1.4
134.99754	1.3
137.02707	1.6
145.10106	1.4
146.99677	5.1
149.09601	2.1
155.03819	3.4
157.01801	1.6
159.11790	1.4
165.00722	1.4
165.15242	1.3
169.01761	1.6
171.03326	4.8
173.04883	1.8
175.02699	1.3
181.05444	1.6
185.04834	4.3
187.02763	1.7
189.04301	5.6
199.06454	6.1
203.05898	8.2
211.06401	5.7
213.07970	8.1
215.05931	1.6
217.07431	13.1
225.07854	6.9
227.05884	1.3
227.09511	1.8
229.07465	3.7
231.06935	2.2
231.09009	12.9
237.07967	3.3
239.09645	2.8
241.11057	2.6
243.08931	6.4
245.10629	3.6
249.08089	5.3
251.09441	7.7
255.09073	18.5
257.10593	2.9
267.09042	29.6
269.10620	53.3
273.10098	17.9
275.20065	3.4
278.10754	2.3
285.10086	49.8
287.11633	24.2
290.10596	1.7
292.12204	8.2
303.11191	6.0
308.11737	4.6
309.13806	2.6
310.13190	1.8
331.15799	11.1
349.16876	38.2
367.17929	100.0
368.18350	2.5
372.18448	2.3
385.18884	11.7
390.19467	20.1
391.19931	1.4
453.62601	1.3
561.30743	2.9
572.09406	1.6
643.90936	1.4
659.27795	2.6
659.38080	26.4
660.38373	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.9
56.96565	16.4
67.05459	1.4
69.07026	0.8
70.32823	2.2
71.95223	2.1
72.96020	0.8
74.97580	1.2
77.53559	0.5
79.05443	1.5
81.07019	1.8
84.96013	0.9
91.05422	1.0
93.06969	0.7
95.04899	0.7
97.06462	0.5
97.96787	2.0
98.97569	0.6
105.06979	1.2
107.08561	0.9
107.72048	0.5
110.97552	1.2
115.97768	1.7
116.98607	1.2
121.10062	0.6
123.01074	0.5
128.98615	3.8
133.10059	0.7
133.98828	1.2
134.99657	1.0
146.99611	3.7
148.00418	0.7
155.00153	0.6
159.03180	0.5
160.00385	1.0
161.01202	1.0
161.04842	0.8
165.00648	1.2
169.01566	0.6
171.03290	1.0
173.01219	1.4
179.02240	0.5
185.01190	0.8
185.04851	2.0
185.98286	0.6
189.04324	1.9
198.05652	0.9
199.02727	0.9
199.06412	1.7
201.04300	0.8
203.05896	3.7
205.07431	1.4
209.05067	0.6
211.06422	1.1
213.04366	1.2
213.08003	3.8
215.05942	0.5
216.06729	1.2
217.03784	1.2
217.07376	3.9
223.02745	0.8
223.10127	2.6
224.38675	0.5
225.08029	1.2
226.08739	0.7
227.05870	1.4
227.09474	0.8
229.07466	0.8
231.05225	0.6
231.08987	5.8
237.04340	1.2
237.07956	0.6
238.05090	0.7
239.09563	4.4
241.03906	1.1
241.07301	0.9
241.11118	25.6
242.08279	3.5
243.09030	1.6
244.09637	0.7
245.06924	0.8
245.10608	1.3
251.05786	0.5
251.09535	0.6
253.11073	1.6
255.05400	0.6
255.09030	2.0
257.06940	0.7
257.10587	4.0
259.12186	41.7
260.09317	2.6
260.12054	0.5
264.12665	2.0
267.09024	1.6
269.07288	0.7
269.10611	4.6
271.12045	0.9
273.10095	0.9
275.19916	0.6
277.13284	0.9
279.09085	2.5
280.09711	2.8
282.13867	2.6
285.10117	1.8
287.11597	2.0
297.10117	5.0
298.10886	3.8
299.11459	1.2
307.15826	2.1
315.11115	1.1
316.11942	2.7
320.11771	0.6
321.12595	0.7
325.17068	1.1
327.42221	0.6
331.15759	8.1
349.16849	52.9
350.17166	1.6
367.17920	100.0
368.18396	1.9
372.18390	2.3
385.19000	8.3
390.19519	13.7
408.20474	0.8
488.35452	0.7
546.20538	0.6
547.67712	0.6
659.38208	26.5
660.39410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.5
53.40736	1.6
55.01869	6.2
55.05505	17.9
57.03434	30.6
57.07071	4.7
59.04995	1.8
61.02926	93.5
65.03934	3.4
65.62434	1.8
67.05504	63.2
68.76868	1.8
69.03431	38.7
69.07067	20.3
70.06587	8.9
70.43253	6.1
70.43619	3.3
71.01349	4.6
71.04985	6.8
71.06920	2.4
71.08629	2.5
73.02914	26.2
73.94349	1.8
75.59414	2.2
79.05488	36.4
81.03413	29.0
81.07056	63.3
83.04984	10.1
83.08603	10.7
85.02901	100.0
85.06532	3.1
87.04425	3.9
88.07644	9.9
91.03956	51.3
91.05479	33.6
93.07040	47.4
93.07626	2.6
95.04961	12.5
95.08603	46.0
97.02891	77.3
97.06539	7.4
97.10172	5.8
99.04446	15.7
99.08096	2.2
101.02359	9.5
102.09169	8.0
103.03941	11.3
105.07022	24.2
107.04930	5.7
107.08592	31.9
109.02863	14.9
109.06525	7.8
109.10159	21.7
111.04431	5.1
111.08099	3.4
115.03921	5.6
117.06985	13.4
119.08570	23.9
121.06487	4.2
121.10146	26.4
121.10926	2.5
123.08060	4.4
123.11720	8.9
127.03909	38.0
129.05464	5.9
129.07011	4.9
131.08572	15.4
133.10156	17.9
135.08093	3.5
135.11688	14.7
137.13278	2.7
137.45668	2.0
139.03958	1.9
139.11156	2.2
143.08563	4.2
145.04947	19.0
145.10078	15.4
147.07974	2.6
147.11676	12.1
149.02351	16.0
149.09639	4.7
149.13251	9.6
150.02655	5.2
151.07506	2.5
153.12810	2.6
157.10168	4.4
158.07211	2.0
159.06549	3.2
159.11713	11.4
161.09546	2.4
161.13283	8.4
163.05988	2.7
163.11191	3.8
163.14870	4.5
165.12915	2.1
171.06462	3.6
171.07964	2.2
171.11723	2.3
173.13275	9.7
175.14816	4.8
183.06538	8.4
185.13191	5.1
187.14870	3.1
189.12856	2.6
193.04994	13.9
194.05328	6.1
199.14853	2.9
201.07597	5.0
203.40654	1.9
223.13313	2.0
237.07384	4.0
238.07930	2.9
243.21133	5.8
256.26434	14.3
257.19025	2.7
257.26669	10.9
259.20578	5.5
261.22150	22.4
275.20175	10.0
291.19540	5.5
303.23218	3.2
335.25812	81.1
341.06506	4.8
349.23666	5.4
363.25604	2.8
369.24289	2.6
385.08984	4.2
386.09549	3.0
429.11810	5.0
430.12085	7.2
443.27722	2.3
479.30002	6.2
641.43011	2.7
659.25781	3.8
659.36060	44.0
659.45990	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	659.2345
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
53.03933	0.9
53.12980	0.8
55.01870	3.8
55.05511	5.8
57.03433	1.5
57.94732	0.9
58.01782	0.8
67.05508	12.8
68.05804	1.2
69.03390	0.8
69.07059	6.3
69.80408	5.9
71.04982	1.0
79.05491	10.2
81.03439	1.3
81.07059	13.9
82.07402	1.1
83.04988	3.3
83.08605	3.2
85.06528	1.1
91.05490	9.8
92.05784	1.1
93.07051	9.1
95.04450	1.0
95.04935	5.5
95.08596	7.2
97.06514	5.2
97.10168	2.6
98.20804	1.5
103.05448	1.0
105.07037	9.3
107.04953	3.3
107.08584	9.0
109.06525	2.3
109.10138	4.5
111.04442	1.1
111.08064	0.9
113.06091	0.8
117.07008	2.0
119.08605	5.2
121.06534	1.6
121.10160	3.9
123.08053	1.4
125.09642	2.4
128.06224	1.0
129.07005	1.2
131.08577	4.5
133.10136	6.4
135.08055	2.1
135.11716	2.2
137.09651	1.3
143.08560	1.8
145.09009	0.7
145.10129	5.9
147.08009	1.3
147.11679	3.4
149.09616	4.4
149.13326	1.2
151.11229	1.6
157.10156	2.3
159.11687	2.1
161.09656	1.6
161.13315	0.9
163.11150	2.8
165.12778	1.1
171.11659	1.7
173.13307	1.5
189.11296	1.8
223.13266	1.2
227.12813	1.7
239.18042	0.9
245.47238	0.9
257.19055	1.1
273.18579	1.1
275.20023	11.9
291.19562	2.7
292.19965	1.7
293.21115	1.7
305.14783	0.9
331.22659	1.2
349.23734	6.8
367.24643	2.1
369.73523	1.2
385.12915	3.5
386.13754	1.4
398.13675	1.9
399.14465	4.0
400.15372	8.1
408.12674	1.3
409.13190	1.6
410.14102	1.3
411.14740	1.9
412.15372	3.2
413.16113	4.1
414.17078	4.1
421.13086	1.9
422.13623	4.1
423.14478	4.0
424.15482	2.6
425.16269	1.8
426.17264	1.7
427.13916	1.7
428.18127	2.9
429.19479	5.0
435.14523	3.0
436.15356	5.8
437.16245	9.6
438.17120	2.6
439.17865	1.9
440.14227	1.2
441.15524	3.3
442.16669	1.6
449.16083	2.2
450.16739	3.4
451.18393	5.1
452.18884	1.9
455.17047	3.8
456.17673	3.5
459.16479	1.1
463.14200	2.9
464.14883	2.6
465.15192	3.3
467.17194	3.1
469.15048	3.2
478.16473	3.0
479.17288	3.5
480.18298	4.7
481.14725	1.8
482.15735	2.1
483.16562	7.6
483.27792	1.0
484.17084	3.4
492.13553	1.1
493.19171	8.3
494.15701	3.2
495.16742	7.0
496.17499	1.5
497.14664	1.8
498.15192	3.9
505.18643	1.1
506.15604	1.5
507.16635	3.6
508.17477	7.5
509.18875	4.5
510.14636	0.9
510.19135	1.0
511.16467	5.4
512.16608	12.3
513.17664	1.7
516.23602	1.3
521.18286	13.0
522.15741	5.4
523.20148	2.4
524.17035	1.8
525.18079	2.4
530.17957	1.5
535.16174	2.0
538.17902	1.2
539.19116	9.5
540.17175	5.0
541.17108	1.1
543.22375	4.1
549.17847	1.7
551.19238	6.8
553.21411	16.1
567.18304	1.1
571.21954	10.3
572.22302	4.0
581.20331	49.0
582.20551	2.1
585.23438	4.0
595.17792	4.0
598.20282	1.1
599.21198	29.1
600.21436	5.7
609.19684	2.2
613.22986	31.9
622.22791	3.1
623.42670	1.2
627.11218	1.5
627.20789	17.5
631.23553	5.3
641.22437	100.0
642.22485	2.9
659.23364	26.0
659.34509	1.7
659.44971	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2349
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
51.79666	0.7
51.86698	0.9
55.01870	1.8
55.05502	2.9
57.03437	1.2
67.05490	4.9
69.07069	2.7
69.37492	9.5
79.05482	5.7
81.07054	8.6
83.04998	2.3
83.08618	1.5
91.05488	4.6
93.07041	4.6
95.04980	1.5
95.08617	3.6
97.06525	1.6
98.21560	1.8
105.07030	4.3
105.77418	1.0
107.04958	1.3
107.08592	3.5
109.06563	1.8
109.10165	1.7
111.08120	1.3
117.07018	1.9
118.76661	0.8
119.08598	2.8
121.10136	1.8
129.06992	1.1
131.08583	2.5
133.06464	0.9
133.10164	1.8
136.06186	1.1
145.10130	1.6
147.11703	1.9
148.83559	0.8
149.09613	1.4
163.11264	1.4
273.18781	0.9
275.20016	4.9
293.20959	1.4
344.70905	1.0
349.23767	2.0
385.13177	2.6
386.13931	1.7
399.14694	4.3
400.15265	8.9
401.16043	1.0
407.11444	1.5
408.12201	1.1
409.13037	1.6
410.14142	1.6
412.15100	2.2
413.16147	3.2
414.16406	3.9
421.12936	2.6
422.13812	8.6
423.14560	8.3
424.15384	3.6
425.16302	1.2
427.17841	1.7
428.17749	2.1
429.18826	2.8
435.14667	5.5
436.15442	8.0
437.16302	14.4
438.16855	3.3
439.18210	2.0
441.15793	3.0
443.16779	1.3
449.16339	2.0
450.17123	6.2
451.18417	7.4
452.19351	4.6
455.17236	2.8
456.17661	2.7
457.18066	1.6
463.13843	2.1
464.14325	5.0
465.15625	6.3
465.20529	1.9
466.20020	1.6
467.17297	3.2
468.13904	1.5
469.15256	2.7
470.16037	1.4
477.15979	1.0
478.16705	4.3
479.17484	5.7
480.18265	6.0
481.15063	3.4
481.19705	1.8
482.15826	2.6
483.16687	6.7
484.17056	4.7
492.17670	0.9
493.19049	15.3
494.15836	3.4
494.20035	3.1
495.16309	7.1
496.17334	1.9
498.15491	3.2
506.15945	2.5
507.16788	3.7
508.17609	7.9
509.18253	6.4
510.15359	1.1
510.19742	1.0
511.19766	4.0
512.16486	12.1
513.17157	1.5
516.23889	1.2
521.18231	12.8
522.18451	3.9
524.16980	2.1
525.21527	1.9
526.14697	2.1
534.60211	1.1
539.19440	3.4
540.19293	3.7
543.22876	5.0
549.17944	2.5
553.20844	25.3
554.20746	1.3
567.18610	1.5
571.21887	6.9
572.21869	4.6
581.20300	56.6
582.20374	4.4
585.24097	1.7
599.21198	29.3
600.21600	6.6
609.19659	2.1
613.22913	32.7
614.23444	2.5
622.23114	4.6
627.20911	1.6
631.24030	6.0
641.22406	100.0
642.22882	5.5
644.20038	1.3
659.23486	29.4
659.44873	1.1
660.23999	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01860	2.3
55.05502	3.5
56.05044	0.9
57.03431	4.9
61.02910	1.6
67.05494	1.7
69.03421	13.4
69.07044	1.0
70.06577	3.4
70.63767	0.9
70.64111	3.1
71.04969	2.4
72.08143	1.3
73.02908	2.8
75.04470	5.7
79.05490	18.6
80.60275	0.9
81.03408	9.2
81.07063	4.7
83.04960	1.0
84.08107	1.6
85.02427	1.4
85.02901	16.8
86.09698	1.7
87.04452	1.2
89.07151	0.8
91.05473	11.4
91.97501	0.9
93.07037	86.7
94.07345	1.0
94.34955	0.9
95.01311	1.3
95.04958	6.1
95.08601	4.3
97.02891	14.0
97.06544	1.0
99.04449	3.6
101.02313	0.9
103.01456	1.0
104.16080	0.8
105.07040	7.1
107.04950	1.8
107.08584	22.5
109.02869	7.0
109.06486	1.2
111.04459	2.3
111.08082	4.1
115.03901	1.7
117.07038	1.8
119.04964	1.1
119.08560	17.0
121.06494	1.8
121.10136	100.0
123.08045	3.3
125.05963	1.6
127.03911	11.9
129.05495	2.3
129.06960	1.9
129.10278	1.0
131.08553	3.8
133.06441	1.3
133.10078	2.4
139.11195	7.7
140.07011	0.9
143.08559	1.2
145.04987	4.8
145.06235	0.8
145.10121	1.3
147.04393	2.6
147.07974	1.6
149.09608	22.7
159.08110	1.2
161.06026	1.6
161.09557	1.2
163.11205	1.1
165.09053	1.3
167.10664	47.5
173.09441	1.1
175.11220	1.2
177.05432	1.7
184.07370	3.7
191.10696	2.9
245.11816	1.6
247.13077	1.1
275.12756	2.9
281.13809	2.8
283.15411	2.9
293.13882	9.0
299.14661	1.2
311.14865	60.6
312.15109	2.0
329.15866	9.4
389.15790	1.1
407.17221	1.6
425.17804	1.6
443.18866	1.7
596.19714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01869	2.2
55.05507	3.5
56.05037	6.5
57.03434	5.7
61.02933	1.7
67.05506	2.9
69.03427	17.7
69.07047	1.2
69.56203	8.4
70.06592	6.6
71.04975	1.1
72.08141	1.3
73.02917	2.6
75.04482	6.9
79.05490	24.6
79.88954	1.0
81.03426	9.6
81.07062	5.7
83.04969	1.1
84.04506	1.3
84.08144	2.5
85.02903	20.6
86.09699	4.3
87.04439	1.4
89.03899	1.6
91.05473	15.8
93.07044	96.7
95.01334	2.5
95.04986	6.3
95.08599	3.1
97.02887	11.8
98.20801	1.9
99.04463	3.6
101.02363	1.2
103.05471	1.8
105.07025	10.4
107.04941	2.0
107.08593	22.4
109.02893	5.9
109.06499	1.9
111.04430	2.4
111.08088	5.0
111.08826	0.9
115.03909	2.3
117.03382	3.6
117.07009	1.5
119.04937	3.9
119.08595	17.0
121.06492	1.9
121.10143	100.0
122.05967	1.1
122.10525	1.3
123.04445	2.6
123.08061	2.3
125.00005	1.1
125.05972	2.1
127.03931	10.1
129.07037	1.5
129.10242	1.5
130.08672	1.1
131.08572	5.7
133.02875	3.3
133.06522	1.5
133.10136	3.3
135.04353	1.7
137.05974	5.1
139.03993	0.9
139.05019	1.8
139.11186	7.6
140.07082	2.0
143.08597	0.9
145.02843	7.9
145.04970	2.7
145.10117	1.5
147.04439	5.3
147.08044	2.4
149.05974	2.8
149.09618	19.0
151.07545	1.3
151.11151	1.2
159.08087	1.2
161.05959	2.5
161.09541	1.2
162.06770	1.0
163.03894	1.6
163.11180	1.0
165.09085	1.2
167.07060	1.2
167.10680	43.0
169.06068	1.4
175.03911	2.8
177.05463	7.6
184.07330	3.4
191.10612	1.0
201.05458	5.6
201.09106	1.2
205.06290	1.3
223.07222	1.5
229.12167	1.4
249.11568	1.0
259.09354	1.0
275.12787	2.1
281.13809	1.7
283.15448	1.8
293.13828	8.9
311.14880	54.0
312.15344	1.8
313.11856	1.1
325.10577	4.1
329.15820	7.1
337.10938	1.7
339.13611	1.1
355.11667	5.3
357.13211	1.0
363.18088	3.9
378.08975	1.2
418.20123	1.4
425.17960	4.2
443.19153	1.2
508.23141	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	658.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00927	0.3
52.94021	0.3
55.01862	0.6
55.05500	0.4
56.05018	1.1
56.13367	0.3
57.03420	0.4
58.06610	0.9
59.07383	0.5
60.08167	7.4
65.03923	0.4
67.05479	0.8
68.22527	0.3
69.03418	0.9
69.07040	0.6
70.06251	0.3
70.06593	3.6
71.04966	0.3
71.07366	3.3
71.57999	0.5
72.08144	1.1
79.05476	0.8
81.03397	0.7
81.07065	0.6
84.04481	0.6
84.08132	1.0
85.02895	1.2
86.09705	35.6
87.09996	0.3
91.05482	1.3
91.53326	0.3
93.07043	1.8
97.02883	1.3
97.06502	0.5
98.98462	3.1
103.70147	0.4
104.10742	13.7
105.07031	0.7
107.04920	0.7
109.06518	0.3
110.07226	0.4
118.69891	0.3
119.04922	0.6
119.08566	1.0
121.06508	0.4
121.10117	0.8
123.04397	0.5
125.00005	23.1
129.06963	0.3
129.10210	0.5
137.05960	1.2
138.05489	0.3
143.01016	0.4
143.11771	0.4
145.02835	0.5
145.10059	0.4
147.04410	0.9
147.08046	0.5
149.09627	0.6
154.05046	0.4
163.03894	0.5
167.07013	1.0
171.11450	0.3
175.03920	0.8
177.05452	2.1
184.07339	100.0
185.07762	0.6
207.06615	0.8
287.05225	0.3
299.05615	0.8
300.05804	0.6
304.05444	0.4
434.23175	0.4
451.23288	2.2
452.24054	2.7
497.17941	0.5
608.24353	0.6
614.26923	0.3
626.25745	12.1
640.27051	0.7
658.27820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
56.05030	1.2
57.67548	0.2
58.06617	0.6
59.07384	0.4
60.08161	6.4
67.05462	0.3
70.06593	1.9
70.25791	0.3
70.26189	0.4
71.07377	3.5
72.08154	0.5
73.02903	0.2
74.06062	0.2
79.05477	0.5
80.93011	0.2
81.03428	0.9
81.07042	0.4
84.08132	0.8
85.02913	0.4
86.09701	30.8
87.09974	0.2
91.05476	0.8
92.04957	0.2
93.07058	1.0
95.04956	0.6
97.02901	0.3
98.98460	3.5
104.10735	4.2
105.07041	0.3
107.04971	0.2
107.08641	0.3
109.02798	0.2
110.07204	0.2
111.08078	0.2
112.04097	0.2
119.04903	0.2
120.08096	0.3
121.10129	0.6
123.04444	0.2
124.99998	20.5
131.08546	0.3
133.10187	0.3
136.07555	0.3
137.02333	0.4
137.05988	0.8
143.01060	0.5
147.04408	0.5
149.09679	0.4
154.04991	1.7
159.55290	0.2
161.05989	0.2
176.40508	0.2
177.05463	0.2
184.07330	100.0
185.07719	0.7
190.24710	0.2
193.12257	0.7
193.62932	0.2
220.85358	0.2
223.07220	0.4
258.11050	0.5
267.15887	0.4
280.07932	0.2
285.17078	0.7
289.14471	0.2
300.98151	0.3
318.99091	0.4
327.96982	0.3
328.97256	0.2
334.98538	0.2
346.98599	0.2
359.95721	0.4
374.98068	1.6
388.96060	0.7
392.98956	1.5
407.16733	0.2
425.18137	0.2
451.23190	0.9
452.24051	0.7
490.21814	0.2
508.22989	0.4
622.26721	0.2
640.27332	1.7
658.00385	6.6
658.28448	4.3
659.00500	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.4
55.01874	28.2
55.05513	49.0
57.03437	19.9
57.07068	4.1
65.03931	6.6
67.05504	86.2
69.03419	10.0
69.07069	45.1
71.04995	7.2
79.05493	80.0
81.03404	10.3
81.06580	5.4
81.07054	85.0
83.05005	12.8
83.08608	20.9
85.02941	2.6
85.06522	6.5
91.05482	73.5
93.07041	68.3
95.01344	4.0
95.04964	43.4
95.08602	41.7
97.02869	5.6
97.06538	27.0
97.10170	22.7
105.07036	62.1
107.04952	35.3
107.08593	47.6
109.06525	30.5
109.10168	21.6
111.04484	2.6
111.08092	7.1
113.05999	10.2
115.05431	5.0
116.06254	2.9
117.07012	30.4
119.08583	42.2
119.47776	2.4
121.06502	8.1
121.10139	20.7
123.04442	3.1
123.08064	17.6
123.11716	7.1
125.09624	19.7
126.92068	2.5
128.06250	4.0
129.07037	15.5
130.07767	4.6
131.08562	35.1
133.06483	9.2
133.10126	32.0
135.08083	19.8
135.11632	11.3
137.06013	2.8
137.09598	6.3
141.06975	3.4
142.07817	5.0
143.08574	17.1
145.06485	5.6
145.10114	26.1
145.36552	2.4
147.08040	10.2
147.11694	17.6
149.09622	25.6
149.13293	5.1
151.11168	4.5
155.08557	9.0
157.10115	12.4
159.08037	3.8
159.11714	20.7
161.09593	9.6
161.13252	10.0
163.11150	12.1
165.09132	2.6
167.08641	3.3
169.10121	7.5
171.10310	3.8
171.11694	9.4
173.09596	4.9
173.11847	3.5
173.13248	11.8
175.11169	7.1
177.12735	8.7
179.08646	2.8
179.14264	3.7
181.10150	4.1
183.11670	8.1
184.12405	2.5
185.13286	8.1
187.11151	4.8
187.14867	2.8
189.11221	6.4
193.10117	2.6
195.11751	3.5
195.13826	3.4
197.13263	5.5
199.11238	3.8
207.11790	2.4
207.13757	3.3
209.13181	2.6
217.15872	3.6
223.13206	11.6
227.12801	15.0
227.17958	4.3
239.17833	2.8
257.18918	5.1
273.18445	28.9
275.20065	56.5
279.15945	5.2
291.19540	100.0
293.21176	4.9
309.19952	2.5
333.24387	3.2
347.22229	6.0
349.23782	25.0
365.23163	20.9
527.32758	2.6
535.32422	2.9
541.51410	2.9
565.39105	2.7
609.27417	3.2
621.41071	3.7
623.43152	3.5
639.42487	47.2
657.43774	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.7
55.01864	6.1
55.05303	1.9
55.05510	18.5
57.03186	2.2
57.03436	23.8
57.07076	2.0
61.02927	91.2
67.05176	3.1
67.05505	43.6
69.03082	3.2
69.03429	46.1
69.07071	10.8
71.01337	5.6
71.04971	7.0
73.02915	35.0
79.05492	40.7
81.03416	27.8
81.07048	37.7
83.04993	9.3
83.08611	7.4
85.02905	100.0
85.06522	3.4
87.04475	4.1
90.25089	2.0
91.03950	57.7
91.05476	50.2
93.07043	43.2
95.04977	17.6
95.08605	24.7
97.02888	80.6
97.06544	3.5
97.10141	3.8
99.04446	11.6
101.02369	8.4
103.03931	9.0
103.05447	4.3
105.07032	44.3
107.04936	4.9
107.08593	25.0
109.02885	13.0
109.06484	4.6
109.10154	12.9
111.04436	7.6
111.08083	2.9
115.03923	7.7
115.05448	4.0
117.05495	3.8
117.07027	24.9
119.07796	3.6
119.08577	41.7
121.06500	4.1
121.10151	20.2
122.46152	1.9
123.08022	5.5
123.11718	2.2
125.05959	2.2
125.09610	3.1
126.05482	2.0
127.03905	27.3
128.06190	4.6
129.05466	3.2
129.06990	17.7
131.08574	28.3
133.06468	2.9
133.10144	26.6
135.08014	3.3
135.11685	15.4
137.05968	3.0
137.09566	2.3
139.07594	2.7
141.06937	4.1
142.07770	4.0
143.08554	17.8
145.04941	18.3
145.06483	4.1
145.10114	20.3
147.08028	9.0
147.11699	21.9
149.05997	2.5
149.09604	4.2
149.13258	8.1
153.05385	1.9
155.08559	9.4
157.10123	12.0
159.08038	4.0
159.11688	20.0
161.13229	10.4
163.06038	4.5
163.11124	4.4
163.14815	4.3
165.09096	3.7
167.08582	4.5
169.10143	9.5
171.08044	4.1
171.11729	13.1
173.09641	4.7
173.13258	9.9
175.11140	5.0
175.14853	2.6
181.10112	4.4
183.06534	4.2
183.11681	6.5
185.09636	2.7
185.13252	8.3
187.11124	2.8
187.14781	3.1
189.12807	2.8
193.10127	2.3
193.12328	2.6
195.08034	2.3
195.11617	2.5
197.13353	3.9
199.14709	4.5
209.09612	2.2
209.13278	3.7
215.14238	2.8
225.12775	2.9
237.12723	2.3
240.39243	2.0
241.19511	12.3
257.18933	3.3
259.20535	24.0
267.15945	5.4
271.20432	4.9
277.21683	4.4
283.20474	3.5
285.21817	2.1
295.15366	2.3
295.20441	3.1
301.21616	8.6
307.20490	3.2
311.14966	2.5
315.23123	4.9
321.22385	2.2
325.21539	4.1
333.24164	33.4
339.23413	3.7
349.21719	5.9
359.80200	2.0
367.22638	9.2
375.25204	7.3
385.23642	6.3
387.25198	2.9
403.24561	3.8
417.26483	3.3
429.26459	2.3
441.26260	15.0
442.26685	3.3
450.45218	2.8
459.27478	10.1
460.27411	3.4
477.28647	13.0
489.75186	2.4
495.29300	13.2
512.19421	5.6
657.33966	5.2
657.43671	4.3
658.24591	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	657.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34485	2.5
54.36498	2.7
56.62273	3.1
71.09075	6.5
71.09418	3.9
96.83828	3.0
102.26275	3.0
119.05952	2.8
129.80905	3.3
165.30707	2.9
183.20575	3.2
201.10027	2.9
207.71616	3.0
233.10960	3.6
247.12332	3.4
249.13873	3.4
273.13583	3.7
275.15457	4.0
352.17801	3.1
363.16434	5.1
365.17465	8.8
366.19287	5.0
375.16205	3.4
377.18158	3.6
378.19089	3.8
379.19202	8.8
390.18896	3.7
391.18924	4.2
392.20483	5.5
393.20929	6.9
402.83112	3.1
405.21118	5.1
406.21573	6.0
407.22644	6.8
408.19299	7.1
409.20151	10.1
419.89948	3.2
421.19934	7.7
422.21072	5.1
423.21722	35.4
431.18585	3.3
432.19232	3.6
434.21579	4.9
435.21747	14.0
436.22391	8.4
437.23633	6.1
446.20908	6.0
447.21594	5.0
449.23569	9.1
450.24039	5.4
451.21124	11.1
454.20349	4.9
460.22513	4.0
461.23105	12.4
465.22626	9.0
467.24503	4.5
468.24884	6.1
476.22784	4.3
477.22775	9.3
478.23862	8.0
479.24402	8.8
481.22125	6.7
492.21201	3.7
493.22198	10.5
494.26233	8.5
495.23618	27.5
496.24432	9.3
507.23965	5.8
508.24838	23.3
509.25632	21.2
510.26120	20.8
511.27112	23.4
521.25616	9.0
522.25519	4.6
523.23322	9.0
536.24731	4.1
537.24957	31.9
538.26141	16.1
538.33270	3.3
553.28302	15.4
555.26367	4.5
565.24225	4.4
569.98254	3.5
570.28033	8.1
581.27618	31.3
583.25348	7.0
597.27106	62.7
598.27533	16.4
613.30225	76.0
625.16693	5.6
625.26526	100.0
657.29797	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	657.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91768	1.7
67.05482	1.9
69.07046	2.5
69.40762	17.1
91.05463	1.8
144.08012	2.3
183.09210	2.0
196.11206	2.4
199.12114	2.0
209.10880	1.9
221.10863	2.9
223.12431	2.3
231.05988	1.8
233.10878	2.0
235.12186	1.9
247.12320	2.5
273.13763	3.2
277.13028	1.7
299.15558	1.9
300.15195	3.8
304.74167	2.1
314.16214	2.5
323.19861	2.2
327.74496	1.7
332.13818	2.0
337.15683	2.3
340.18146	2.5
348.14737	1.8
350.16519	3.8
352.18030	2.2
354.15988	2.3
354.19870	3.1
363.16278	3.1
364.17410	3.2
365.18170	4.8
366.18933	3.7
375.16135	2.2
376.17776	2.1
377.17862	4.9
378.18848	5.0
379.15186	2.2
379.19479	8.4
389.18152	3.3
390.19232	3.9
391.19354	6.5
392.20496	3.4
393.17230	5.7
393.21359	3.4
395.18417	2.7
403.19464	2.3
405.20889	5.7
406.21878	4.2
407.18491	7.5
407.22882	4.8
408.19409	8.5
409.20267	9.6
419.18427	3.2
419.23056	2.5
421.19595	12.0
422.21152	6.2
423.21860	31.2
424.22357	3.8
431.18658	2.5
433.20221	3.5
434.21457	2.0
435.22415	13.4
436.22540	6.1
437.23987	9.3
439.21503	2.7
446.21155	3.5
447.22070	3.1
449.23294	7.7
450.25027	3.1
451.21570	6.6
453.23352	2.3
454.19946	10.2
456.22699	2.8
461.23837	12.3
463.20963	6.5
464.22357	3.3
465.22894	8.1
467.24774	9.3
468.25311	4.1
477.23383	8.7
478.23495	5.8
479.25125	9.9
480.22293	2.4
481.22052	3.2
493.22394	11.3
494.25946	9.2
495.23691	23.5
496.24802	9.6
505.22531	2.1
508.24805	22.0
509.25684	20.3
510.26489	16.3
511.27100	23.5
516.24902	3.6
519.23865	3.5
521.25867	12.5
522.25873	5.4
523.23743	9.3
525.28619	4.0
526.28918	3.8
537.25104	33.5
538.25842	16.6
539.26123	2.9
549.24640	4.9
551.22333	4.3
553.28461	16.9
555.25708	2.5
564.24048	2.4
565.24518	6.6
566.24304	4.4
570.28235	7.6
581.27631	35.5
582.25842	3.7
583.25720	10.0
583.33459	2.0
595.28827	2.3
596.27356	2.6
597.27051	73.2
598.27802	13.4
607.25513	2.3
613.30237	88.8
614.31128	2.8
625.26550	100.0
626.26672	3.1
657.28369	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01871	0.7
55.05495	1.0
57.03147	0.3
57.03432	4.9
59.05008	0.4
61.02913	0.5
64.98769	0.2
65.03926	0.3
66.94934	0.2
67.05496	1.1
68.99787	0.7
69.03428	1.2
69.07053	0.6
69.79109	1.7
70.06584	0.9
71.01357	0.5
71.04992	29.1
73.02903	0.9
75.04474	1.0
77.03944	0.3
78.04689	0.4
79.05487	1.8
81.03405	1.1
81.07067	1.2
83.04975	1.8
83.13368	0.3
84.04472	0.4
84.08135	0.7
85.02902	30.6
86.09693	0.6
87.04453	1.0
89.03884	0.3
91.03960	0.3
91.05468	2.4
93.03382	0.5
93.07044	2.2
95.01321	0.4
95.04967	1.8
95.08601	0.9
97.02863	0.6
97.06503	0.3
99.04449	0.3
102.04720	0.4
103.05470	2.3
104.06250	1.7
105.03374	0.6
105.07021	3.4
106.04173	0.3
107.04960	2.0
107.08595	0.8
109.02879	0.4
109.06489	0.6
109.10175	0.5
111.00797	0.4
111.04437	1.1
115.05457	1.6
117.03350	0.8
117.07051	0.4
117.16896	0.2
118.04141	0.8
119.04945	1.2
119.08596	1.3
120.08109	0.3
121.02872	0.4
121.06514	1.7
121.10158	0.8
123.04422	1.1
124.05252	0.2
125.02344	0.3
127.03978	0.3
129.05472	4.7
130.04134	1.3
131.04926	9.2
131.08572	0.4
132.05711	9.5
133.02837	0.8
133.05795	0.2
133.06523	2.7
133.10115	0.9
134.03638	0.3
135.04425	1.3
135.08069	0.3
135.11742	0.2
136.06172	0.4
137.02338	1.5
137.05956	1.3
137.09583	0.3
139.03868	0.6
139.07526	0.3
140.04721	1.5
143.04974	0.3
145.02870	0.4
145.05028	0.2
145.06506	0.6
145.10121	0.4
146.03618	1.9
147.04443	1.9
147.06491	0.4
147.07999	0.6
147.11690	0.5
148.05200	0.9
148.53601	0.2
149.02298	0.3
149.05960	2.2
149.09642	0.3
150.06845	0.3
151.03920	0.5
151.07454	0.5
152.09142	0.3
153.01823	5.2
153.05403	0.3
154.06268	0.4
155.04842	0.3
155.07074	0.4
157.10069	0.3
159.04361	0.6
160.05197	3.2
161.05965	9.0
162.03081	0.3
162.06721	2.3
163.03856	1.3
163.07497	0.7
165.01816	0.6
165.05476	0.7
165.09088	0.4
166.06250	0.8
167.07034	5.3
171.02966	0.3
173.06015	0.6
175.03935	1.0
175.14856	0.7
176.04710	0.7
177.05478	3.7
178.06248	2.1
179.03383	1.9
179.07043	1.3
180.07790	1.6
181.04945	0.4
181.08575	2.3
182.09453	0.5
184.07332	0.4
187.03947	0.4
189.05452	1.0
191.03429	0.5
191.07016	2.0
192.07803	8.1
193.08507	0.6
197.06088	0.3
199.03926	0.4
201.05527	1.1
203.03343	1.2
207.06517	0.6
208.07420	0.3
209.08025	0.4
210.08844	0.6
211.09331	0.3
211.11292	0.3
217.04950	6.3
227.03389	0.4
228.04120	0.4
229.04977	3.0
230.05847	0.3
231.02863	0.4
237.05542	0.7
241.13318	0.3
245.04445	6.8
249.05522	0.4
253.04990	0.5
255.06366	0.3
257.04483	2.2
258.05215	0.5
259.06033	0.3
265.04868	0.4
266.05627	0.3
267.06610	0.3
267.15994	0.3
269.04474	1.0
271.05853	0.3
273.03918	11.1
274.04614	0.7
279.06635	0.5
281.04288	0.3
283.05957	0.5
285.03864	3.9
285.12241	0.3
286.04688	0.7
287.05429	1.2
293.04535	0.3
297.03934	0.4
299.05484	0.5
300.99982	0.5
301.03409	9.5
302.04184	3.2
303.04892	2.5
307.06195	0.4
311.05478	2.0
311.14902	0.4
313.03476	2.2
315.05020	2.1
317.06598	1.8
318.06644	0.3
321.07437	0.3
327.04971	3.9
329.06531	7.6
339.05057	4.0
339.09232	0.6
341.06635	0.5
343.04486	0.4
355.08014	0.6
357.05978	2.5
357.23959	0.3
367.22806	0.3
373.07123	0.5
390.07501	0.4
397.06815	0.3
401.06720	0.7
405.70520	0.2
415.08258	0.5
417.05817	0.5
418.06601	1.2
429.06027	0.4
433.09109	0.8
443.07675	0.8
446.06390	1.1
459.27316	0.5
461.08621	7.9
462.09348	0.3
465.11768	0.3
477.11908	0.3
477.19058	0.5
477.28513	0.4
481.11200	0.9
493.11218	4.5
495.12851	3.4
495.20142	3.5
495.27582	0.4
505.15039	0.6
511.12344	100.0
512.12726	2.4
553.13074	0.4
657.31226	0.4
685.84070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.30394	0.4
55.05500	0.9
56.05012	0.4
57.03421	0.4
61.02912	0.4
67.05493	0.9
69.03423	1.2
69.07072	0.5
70.06599	2.1
71.04990	5.1
71.57871	0.5
72.08154	0.8
73.02937	0.4
79.05502	1.8
81.03410	1.6
81.07040	1.6
83.04960	1.0
83.08603	0.7
84.04496	0.4
84.08145	0.8
85.02901	5.3
86.09692	1.9
88.42036	0.4
89.03939	0.4
91.05486	2.3
93.07050	2.2
95.04971	1.3
95.08595	1.2
97.02908	0.7
97.06515	0.4
102.04719	0.6
103.05470	2.4
105.07040	1.8
107.04970	1.5
107.08565	0.6
109.02908	0.5
109.10167	0.5
111.04434	0.6
115.05497	0.5
117.03356	1.0
117.06981	0.7
118.04137	1.5
119.04957	1.4
119.08580	1.6
120.08141	0.6
121.06493	1.4
121.10139	1.0
123.04418	1.7
123.11713	0.5
127.03904	0.4
129.05473	1.2
130.04089	0.8
130.04970	0.5
131.04916	3.5
132.05751	2.5
133.02844	0.7
133.06509	0.7
133.10146	0.7
135.04425	0.7
135.08138	0.4
136.06174	0.7
137.02359	0.5
137.05966	1.7
139.03857	1.0
140.04649	1.5
145.02835	1.0
146.03641	1.9
147.04396	2.6
147.07971	0.8
148.05183	0.6
149.05959	1.3
151.03886	0.7
151.07506	0.6
153.01836	5.2
153.05467	0.8
160.05211	1.1
161.05997	2.4
162.03178	0.5
163.01907	0.4
163.03909	1.3
163.07591	0.4
165.05495	0.9
165.09167	0.5
166.06248	0.6
167.07016	2.9
173.06032	0.6
175.03943	1.3
175.07549	0.5
176.04710	1.6
177.05479	5.0
178.06123	2.7
180.07774	0.5
181.05026	0.6
181.08595	0.5
182.09422	0.8
184.07230	0.4
189.05479	0.8
191.07045	5.0
192.07791	2.9
193.08496	0.7
201.05515	0.7
203.03336	2.3
207.06470	2.2
208.07101	0.4
213.05716	0.6
217.05035	0.9
219.10214	0.4
229.04999	3.9
241.04922	0.9
242.03352	0.8
242.05704	6.5
245.04588	1.3
253.05003	1.7
255.06725	0.4
257.04443	43.3
258.05209	11.2
269.04501	1.5
270.05206	1.5
271.06015	1.8
273.03992	1.4
283.06046	0.8
285.03934	5.4
286.04709	22.8
287.05493	16.9
287.10254	0.6
288.05856	1.3
289.06201	0.6
297.03928	3.9
299.05438	2.0
300.06296	1.4
301.03506	2.0
301.06720	0.4
302.04193	1.3
303.04608	2.1
311.05487	0.8
315.05161	0.4
316.16757	0.5
317.06595	1.7
318.06876	1.6
319.07184	1.3
323.05524	0.8
327.05054	2.3
329.06424	0.8
339.04794	0.6
339.12354	0.4
341.06525	2.2
343.15466	0.4
357.06107	0.4
379.11710	0.7
391.07968	0.5
419.07462	0.8
433.09210	0.7
444.08304	0.7
445.09238	0.6
447.07193	1.2
449.08569	0.8
461.09009	0.9
462.09348	1.3
465.11810	3.2
477.11847	13.3
477.18756	0.7
477.28299	0.5
478.12100	0.5
493.11435	1.3
495.12857	100.0
496.13132	3.3
505.14792	1.2
511.12411	18.1
512.13080	0.6
541.09229	0.4
657.18097	0.7
657.40033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89259	2.1
52.06422	2.1
53.03947	2.9
55.01857	2.4
55.05516	23.0
57.03457	4.9
61.02910	4.3
61.91107	1.9
67.05502	27.4
67.13047	2.2
69.03422	7.6
69.07058	9.5
70.06600	4.5
71.04990	2.8
71.57384	3.5
73.02926	2.5
74.20969	2.0
79.05492	22.4
81.03410	5.7
81.07050	20.1
81.51665	2.3
82.07381	2.2
83.04975	5.7
83.08618	14.8
84.04517	7.0
84.08180	2.5
85.02905	6.9
86.09708	4.7
91.05475	24.8
93.07043	14.6
95.04945	5.2
95.08591	8.3
97.02884	8.9
97.10172	24.1
103.05464	7.7
105.07038	18.9
107.08614	12.2
109.02845	2.4
109.06519	2.6
109.10160	6.3
111.04447	3.4
111.08039	2.2
115.03861	2.8
115.05438	4.6
117.07019	33.3
119.08614	13.2
121.06507	3.1
121.10144	9.6
123.08096	3.1
125.09626	18.6
126.05511	7.2
129.07005	14.4
130.01767	2.2
131.04890	2.9
131.08548	20.6
133.06497	8.9
133.10130	5.0
135.08046	5.2
138.05513	3.9
141.06976	4.1
143.08556	8.3
145.06470	5.6
145.10155	6.6
147.08023	5.5
148.38586	3.1
149.09599	5.8
153.09085	2.4
155.08565	8.3
157.10149	4.5
159.08012	3.9
167.08546	3.4
169.10126	7.1
171.08063	3.8
171.11668	5.6
173.13261	2.6
181.10243	3.2
185.13258	2.9
187.14780	9.7
189.11263	12.0
197.13217	8.5
204.08688	9.5
209.13213	2.9
215.14320	32.9
215.69037	2.6
227.12782	22.2
259.10538	2.7
259.13321	2.9
271.16953	3.5
349.21536	4.2
351.79678	2.7
367.22430	14.0
385.23700	10.8
399.53342	2.6
403.25003	4.2
441.26321	57.2
441.31982	4.7
442.26489	5.1
459.27420	100.0
460.27435	2.7
477.28299	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	656.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33109	0.8
53.03930	3.1
55.01860	2.3
55.05501	3.4
57.03438	5.0
61.02903	1.3
67.05495	3.9
67.42651	0.9
69.03081	1.3
69.03427	15.9
70.06579	3.4
70.25009	3.6
71.04982	3.4
72.08158	1.8
73.02905	1.8
75.04466	3.9
77.03938	1.2
78.67011	0.8
79.05489	19.1
79.95203	0.7
81.03419	15.4
81.07039	6.6
81.91885	0.8
82.06566	0.9
83.04987	2.9
84.04508	1.6
84.08144	1.4
85.02903	13.9
86.09706	3.2
87.04463	2.4
91.05475	25.0
91.28979	0.8
92.05797	1.9
93.07039	86.6
94.07365	1.2
95.04969	5.8
95.08594	3.3
97.02884	11.8
97.06522	1.3
99.04448	3.3
103.05452	1.6
105.07024	10.6
107.04959	4.2
107.08588	12.6
109.02858	6.8
109.06553	1.6
109.10126	1.6
110.07136	1.2
111.04469	4.1
111.08079	3.5
115.05470	1.2
117.07029	1.5
119.04932	11.1
119.08572	29.5
120.05263	2.5
121.02869	1.2
121.06483	3.6
121.10137	100.0
123.08045	3.0
125.05958	1.7
127.03893	6.9
129.05464	3.1
129.06987	0.9
131.04912	1.1
131.08551	8.5
133.06461	3.0
133.07550	1.0
133.10147	2.2
135.08049	1.2
135.37186	1.0
136.06149	1.0
137.05998	2.0
139.11171	4.1
145.02931	0.9
145.04930	1.7
145.10097	2.7
147.04404	19.5
147.08005	1.7
148.04747	3.6
149.06033	1.3
149.09613	42.9
157.10153	1.2
159.04344	1.4
159.11734	0.9
161.09660	1.1
163.11182	1.8
165.09157	1.8
167.06993	1.2
167.10666	30.3
175.03903	8.6
175.11139	1.2
176.04276	4.8
177.05453	4.8
183.08107	1.1
191.10620	2.2
193.08600	1.0
199.07503	1.5
207.06529	16.3
208.06853	9.0
245.11533	1.1
257.04471	1.2
259.13187	1.0
275.12857	1.2
277.14215	1.9
283.15417	2.5
287.05469	10.8
288.05777	9.4
293.13812	11.1
302.03903	1.1
311.14853	27.2
370.12360	1.0
381.70859	1.0
421.18561	1.8
435.78293	1.0
457.18723	2.5
495.12622	3.9
532.55280	1.0
655.91870	1.0
656.37054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
57.03413	0.7
67.05494	1.7
67.23272	0.4
69.07063	1.0
69.61815	1.3
69.62246	1.5
79.05473	1.3
81.03400	0.8
81.07052	2.1
83.08627	0.7
91.05476	1.6
93.07041	1.4
93.29240	0.4
95.04943	1.5
105.07015	1.6
107.04970	0.6
107.08574	0.5
109.06490	1.2
109.10201	0.5
113.05981	0.5
117.07026	0.7
119.08569	0.6
121.10165	0.4
123.04424	0.4
129.06999	0.5
129.87869	0.4
131.08551	1.2
133.10127	0.5
134.89778	0.4
135.08069	1.1
143.08583	0.6
145.10104	0.5
171.11743	0.6
181.33849	0.4
185.13242	0.4
205.12393	0.4
234.12329	0.4
239.10831	0.4
244.40686	0.4
273.18631	1.2
275.20044	0.6
291.19485	2.7
295.20279	0.6
329.64816	0.4
339.19293	100.0
340.19595	1.7
380.22110	0.6
510.88269	0.4
655.27344	1.8
655.40887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11728	4.9
71.58024	6.1
102.48852	5.7
123.08191	5.5
123.82894	5.6
221.10947	6.5
239.11841	5.2
251.74034	6.7
343.56601	5.2
451.20886	6.1
475.21249	16.8
535.23193	10.2
563.26477	15.6
594.27820	7.4
595.24890	7.6
622.27753	100.0
623.25153	12.7
655.28192	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
57.07074	0.8
67.05492	1.0
69.07076	0.5
77.31989	0.3
79.05484	0.8
81.07050	1.1
83.04966	1.9
91.05484	1.0
93.07046	1.1
95.04955	0.4
95.08597	0.5
105.07034	0.5
107.08595	0.7
119.08574	0.5
133.10135	0.5
135.11642	0.5
142.49397	0.3
147.08049	0.3
147.11740	0.7
175.01572	0.9
181.02649	1.1
223.75603	0.3
227.04677	0.3
273.18582	0.5
291.19351	0.7
311.14105	0.3
313.11932	0.8
369.18335	0.4
376.16663	0.4
377.17581	0.5
391.19281	1.0
392.19727	0.5
393.20932	0.6
402.34976	0.3
403.18939	0.4
405.16452	1.9
405.21631	0.6
406.21890	0.6
407.22400	4.1
408.23325	0.4
418.17596	0.6
419.18298	3.7
420.19507	1.3
421.20123	0.9
432.19159	0.6
433.15546	0.7
433.20764	4.6
434.21124	4.2
435.21799	7.8
436.22644	0.7
445.20480	0.4
447.17905	1.7
447.22198	1.7
448.18576	0.9
448.23526	0.6
449.19208	1.8
461.19281	1.3
461.24142	0.9
462.20264	4.3
463.21249	3.6
475.21213	2.2
476.22131	1.1
477.22882	1.2
479.20374	0.7
481.26132	0.4
489.22922	0.9
493.22589	1.1
494.23212	0.4
495.23883	1.1
507.19989	0.6
507.24265	0.6
508.24689	2.5
509.25455	1.7
521.25690	11.8
534.23474	0.3
535.27002	0.6
543.18597	0.5
547.27155	0.5
549.24969	19.6
550.25702	0.5
553.24066	0.7
554.21191	1.0
563.26740	2.4
564.27100	0.5
577.24091	0.6
581.27795	2.8
595.29272	9.3
599.25311	1.6
609.27094	9.7
623.29303	1.5
655.31213	100.0
656.31433	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	655.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01866	0.2
55.05504	0.3
57.03428	0.4
65.03944	0.3
67.01852	0.6
67.05492	0.4
67.16521	0.2
68.99789	0.7
69.03419	0.5
69.07058	0.2
70.06591	1.2
71.57961	0.4
72.08149	0.4
76.02251	0.2
76.10241	0.2
79.05494	0.8
79.62729	0.2
81.03429	1.5
81.07049	0.7
82.42558	0.2
84.04493	0.3
84.08140	0.6
85.02892	0.7
86.09705	0.5
89.03907	0.4
91.05487	5.8
93.07062	0.4
95.05019	0.3
95.06178	0.2
95.08566	0.3
97.02888	0.4
97.06523	0.2
98.20967	0.2
99.04486	0.4
105.07025	0.4
105.96802	0.2
107.04958	0.6
107.08578	0.4
109.02868	0.7
109.10117	0.3
110.07150	0.3
111.04449	0.3
117.03415	0.3
118.04222	0.2
119.04948	7.6
119.08575	0.5
120.08099	0.2
121.06493	0.2
121.10117	0.5
123.04479	0.2
125.07103	0.2
127.03913	0.4
131.08556	0.2
132.02084	0.2
133.02866	0.3
133.10042	0.2
135.04417	2.2
135.11705	0.2
137.02362	1.2
137.05963	0.5
145.02847	0.4
147.04413	8.1
149.09607	0.3
153.01833	5.6
157.04005	0.7
161.02371	1.4
161.03510	0.3
163.03978	0.2
164.04617	0.2
167.07037	0.4
171.02914	2.2
175.03909	11.7
176.04379	0.2
177.05470	0.7
179.03374	0.5
179.07033	0.6
192.04076	0.2
199.07533	0.2
203.03426	0.3
207.06529	29.6
208.06821	0.5
213.05453	0.3
219.06580	0.4
241.04961	1.0
245.04247	0.2
256.64542	0.2
267.15878	0.3
269.04486	0.4
287.05499	100.0
288.05847	2.3
301.03397	0.2
303.05032	0.3
316.05594	0.2
317.06589	0.2
325.10825	0.4
328.83899	0.2
331.08130	1.0
351.10739	2.6
369.11630	1.4
655.37408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1659
Annotation	isorhamnetin 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
52.10359	0.2
53.03937	0.6
55.01884	0.3
55.05499	0.3
57.03428	0.4
59.15194	0.2
61.02945	0.2
63.02371	0.5
67.01842	0.3
67.05490	0.6
67.11616	0.2
68.99799	0.5
69.03429	1.4
69.07061	0.3
70.06590	2.0
71.04992	0.3
72.08147	0.7
73.02907	0.2
78.04695	0.4
79.05489	0.8
81.02982	0.3
81.03423	4.2
81.07053	1.1
83.04975	0.2
84.04485	0.5
84.08133	0.9
85.02901	1.6
86.09719	1.1
89.03912	6.6
91.05469	1.5
93.03368	0.2
93.07062	1.1
95.04967	0.4
95.08613	0.6
97.02869	0.6
99.04424	0.5
103.05468	0.5
105.07014	0.7
106.04161	0.2
107.04955	0.4
107.08601	0.5
109.02861	1.5
109.10120	0.4
110.03661	0.9
110.07158	0.4
111.00800	0.3
112.08717	0.2
117.03380	16.7
117.06889	0.2
119.04926	0.5
119.08588	0.4
120.08104	0.7
121.02828	0.3
121.10152	0.6
123.04398	0.4
127.03886	0.6
129.07024	0.3
129.10214	0.3
130.08617	0.2
131.08572	0.3
133.06451	0.2
133.10106	0.2
134.03615	1.1
135.04416	1.3
135.07993	0.2
136.07567	0.2
137.01355	0.4
137.02341	5.3
137.03371	0.3
137.05951	0.8
145.02841	41.0
145.10078	0.3
146.03189	0.6
147.04395	0.8
147.07990	0.3
149.05978	6.2
149.09532	0.3
150.03130	0.5
153.01825	2.0
153.05452	0.3
155.04962	0.2
162.03210	0.2
163.03908	0.7
165.01884	0.2
166.02702	0.2
167.07080	0.4
171.02974	1.0
171.04298	0.3
173.05949	0.4
175.03946	0.5
177.05463	86.5
178.05841	1.3
179.06918	0.2
186.05476	1.7
193.01331	0.2
195.06544	0.6
200.04701	0.7
202.10707	0.5
203.03250	0.2
204.04185	0.8
207.06543	0.9
217.04980	0.4
218.05748	0.3
228.04152	3.1
229.04945	2.7
229.19774	0.3
239.03340	0.2
245.04433	1.6
246.05229	0.2
256.03668	0.7
257.04443	2.3
258.05209	0.5
271.06033	0.3
273.03799	1.2
274.04712	4.8
274.07141	0.2
285.03894	1.5
286.03732	0.2
301.03436	10.8
302.04202	46.1
303.04584	0.8
313.03494	0.3
317.06549	100.0
318.06906	2.1
321.09698	6.2
339.10782	2.1
401.23398	0.2
423.44867	0.2
454.19543	0.2
493.11246	1.7
559.29144	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	655.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
57.03417	0.7
61.43652	0.5
62.03294	0.5
62.78830	0.5
65.03923	2.2
66.92427	0.5
67.05497	1.9
68.99788	1.0
69.03417	1.9
70.06592	4.2
71.04973	0.6
71.57845	0.5
71.58253	0.9
72.08131	1.2
73.02888	0.5
77.03896	0.5
79.05470	2.0
81.03417	2.8
81.07064	2.7
81.08119	0.6
83.04963	1.0
84.04494	1.6
84.08131	1.5
85.02901	2.5
86.09683	2.1
87.35811	0.5
89.03905	1.1
91.05480	28.2
93.07022	2.6
95.04949	2.0
95.08559	0.7
97.02853	1.2
99.04538	0.6
102.05525	0.7
103.05455	1.0
105.03400	1.3
105.07011	1.5
107.04939	1.4
107.08589	1.2
108.05710	0.5
109.02842	0.9
109.10182	0.6
111.00790	1.1
111.04433	0.8
117.03322	0.6
118.04158	0.8
119.04937	37.2
119.08545	1.5
120.08101	1.2
120.90723	0.5
121.02825	2.9
121.06488	0.8
121.10123	1.8
123.11685	0.6
127.03886	1.0
129.03406	0.8
129.07005	0.8
129.10237	1.1
131.04924	1.0
131.08577	0.9
132.02057	1.8
133.02841	1.0
133.10143	0.8
135.04367	1.0
136.05196	0.6
136.06178	1.0
137.02319	1.3
137.05934	1.6
145.02849	2.1
147.04405	34.3
147.08028	0.7
149.02376	1.0
149.05959	0.8
149.09631	1.1
151.03964	0.6
151.07553	0.8
153.01826	4.1
157.03981	3.3
157.06461	0.6
161.05983	1.0
163.11221	1.0
164.04691	1.2
165.01860	1.0
167.07047	0.6
175.03909	55.3
177.05495	2.2
179.07063	2.9
183.02826	0.9
185.06039	0.6
192.04245	1.0
207.06525	100.0
208.06790	1.7
212.78712	0.6
213.05441	1.1
219.06468	0.7
219.63776	0.6
229.05174	0.6
231.06505	0.8
241.05000	1.1
258.05185	0.7
259.08960	0.6
287.05490	81.3
288.05981	1.7
291.08676	1.1
302.04080	0.9
317.06531	1.5
329.06671	1.1
351.10638	1.5
369.11804	6.3
414.12021	0.6
475.09964	1.9
493.11761	0.6
552.05518	0.5
655.15802	1.0
655.25757	1.1
655.37506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01872	0.3
57.03427	0.4
65.03927	1.3
67.05505	0.4
68.99785	0.8
69.03418	1.1
69.07062	0.3
70.01441	0.3
70.01854	0.9
70.06574	1.8
71.04977	0.3
72.08155	0.6
73.02914	0.3
76.03122	0.3
77.03922	0.5
79.05471	0.5
80.38491	0.2
81.03413	5.1
81.07023	0.3
83.04994	0.3
84.04475	0.4
84.08131	0.7
85.02909	1.6
86.09699	0.9
89.03902	0.8
91.05470	20.2
95.04961	0.6
97.02878	0.7
97.85647	0.2
99.04433	0.4
101.07123	0.3
103.05446	0.6
105.03386	0.9
105.07046	0.4
107.04968	0.5
109.02878	1.9
111.00806	0.5
111.04386	0.5
117.03343	0.3
118.04173	0.4
119.04930	29.0
120.08115	0.4
121.02854	8.0
121.10117	0.3
127.03905	2.4
128.06213	0.3
129.03342	0.7
131.04903	0.5
132.02052	1.2
133.02818	0.9
135.04376	0.6
136.05222	0.6
137.02341	1.4
137.05933	0.5
144.01382	0.3
145.02843	1.4
145.06419	0.3
147.04396	27.5
148.04829	0.3
149.02370	1.3
149.05968	0.3
151.03993	0.3
153.01814	3.7
157.03949	2.1
162.03096	0.3
164.04630	0.7
165.01804	1.3
171.02896	0.5
171.04312	0.3
175.03893	44.7
176.04285	0.7
177.05432	0.6
179.07019	1.9
180.08900	0.3
183.02849	0.7
185.05930	0.5
192.04128	1.0
206.04361	0.3
207.06505	100.0
208.06796	1.8
213.05429	1.5
225.07529	0.5
231.06523	0.6
241.04922	1.1
245.04504	0.4
258.05173	1.1
259.06125	0.3
265.15314	0.2
287.05466	69.8
288.05820	1.9
309.09634	0.3
317.06586	0.3
325.14514	0.3
329.06635	0.2
351.10724	7.4
369.11755	2.8
435.19925	0.5
479.18982	0.4
655.22321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41287	0.2
51.02375	0.3
53.03936	0.8
55.05499	0.4
56.05053	0.3
60.04546	0.3
65.03947	1.5
67.05480	0.4
68.99792	0.7
69.03419	1.1
70.06584	1.9
71.04996	0.3
71.58640	0.4
72.08150	0.5
74.06077	0.4
75.05593	0.7
77.03923	0.7
79.05500	0.6
81.03417	4.9
84.04475	0.5
84.08125	1.1
85.02900	1.7
86.09682	1.1
89.03901	0.7
91.05480	19.2
93.07063	0.5
95.04949	0.3
97.02853	0.6
98.09685	0.3
99.04422	0.6
101.03906	0.3
103.05463	0.8
105.03384	0.7
107.04983	0.6
109.02872	1.8
111.00760	0.5
112.08751	0.3
114.53245	0.2
116.07051	0.2
117.03396	0.4
118.04153	0.4
119.04940	28.7
120.08094	0.6
121.02864	8.0
127.03933	2.0
129.03334	0.4
131.04935	0.4
132.02075	1.4
133.02832	0.9
135.04398	0.6
136.05162	0.8
137.02345	1.2
145.02838	1.9
145.06409	0.4
147.04408	26.3
148.04755	0.4
149.02321	1.0
151.04005	0.3
153.01831	3.0
157.03960	2.1
157.06534	0.6
164.04625	1.0
165.01843	1.9
165.05379	0.3
171.02902	0.6
171.04427	0.3
175.03909	43.4
176.04279	0.8
177.05484	1.7
179.07021	1.9
183.02907	0.9
185.05907	0.6
189.05399	0.4
192.04176	0.9
203.07008	0.3
207.06523	100.0
208.06834	1.5
213.05450	1.2
225.07556	0.7
231.06480	0.9
241.04974	1.0
245.04536	0.4
258.05341	1.3
259.05972	0.4
263.23108	0.3
279.81845	0.2
287.05496	69.0
288.05838	1.6
305.12170	0.3
317.06577	0.4
329.06717	0.3
351.10721	8.4
366.88953	0.3
369.11816	2.8
479.18881	0.3
655.23364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01854	0.7
53.03933	1.7
55.01862	1.1
57.03432	1.8
61.02951	0.9
65.03967	0.7
69.03426	5.3
69.86580	3.6
70.06587	9.5
71.04963	0.9
72.08120	1.1
73.02904	1.2
74.93934	0.7
78.04693	1.7
79.05498	3.9
81.03412	5.6
81.07055	1.0
84.04501	2.1
84.08128	2.9
85.02905	11.1
86.09698	2.9
87.00817	4.6
87.04491	0.8
91.05460	4.1
93.07024	1.1
95.04937	1.5
97.02887	4.5
99.04443	2.0
103.05458	2.5
105.01864	2.8
105.07050	4.2
106.04157	1.2
107.04946	7.1
108.04514	1.4
109.02858	5.6
115.05458	2.7
116.06295	0.8
116.07061	3.6
117.01867	0.6
117.07022	2.2
118.04195	0.7
119.04915	1.4
119.08566	2.2
120.08115	0.9
121.06477	1.0
122.03664	1.1
123.04417	4.5
124.05209	3.2
125.05931	0.9
127.03909	7.6
128.06216	2.5
129.01849	0.9
129.07004	7.0
129.10265	1.0
130.08640	1.4
131.04904	3.7
132.05766	0.9
133.06482	3.7
134.03607	1.0
136.05132	1.1
137.05963	2.4
144.05687	0.7
145.04916	2.2
145.06514	3.8
147.04420	1.7
147.08031	3.1
151.03912	1.5
151.07526	2.3
152.04706	2.0
153.05386	0.7
159.02869	2.4
159.04250	0.8
159.08002	4.0
160.05138	1.2
161.05986	8.3
161.09589	0.8
163.07513	1.2
165.05386	0.8
167.07036	100.0
168.07355	2.1
171.07860	0.9
172.05223	1.4
173.05948	1.5
175.07542	21.4
177.05424	1.5
178.07837	1.4
179.07034	6.5
181.04843	1.4
181.08531	1.2
183.14955	1.6
187.07536	16.3
189.07011	0.8
189.09116	2.0
190.07803	1.1
191.07027	9.6
193.08594	3.3
193.10156	1.1
196.29860	0.8
199.07530	6.1
202.07784	0.9
203.08623	2.7
205.06589	0.9
205.08614	2.4
206.07323	1.9
209.08061	2.6
215.08597	0.8
217.06750	0.7
217.08652	2.9
218.07336	1.1
221.09628	3.2
231.04919	1.8
231.08090	0.8
233.09578	1.8
234.06720	2.2
235.07422	1.2
247.07562	2.0
248.07901	0.8
249.09109	5.7
250.06093	0.8
250.09918	1.0
251.07054	1.3
259.07803	0.9
261.09091	3.3
263.07117	1.0
266.09082	1.3
277.08594	3.0
278.09210	1.4
279.06458	0.8
279.09814	0.9
281.11655	8.3
289.08597	2.8
291.06662	0.8
291.09949	1.2
293.11545	1.4
294.08932	1.7
300.46967	0.7
307.09457	1.2
309.11197	9.3
310.11945	1.7
311.09274	1.1
321.11060	5.4
326.11435	3.2
339.12534	0.9
341.13828	40.5
351.12286	1.1
353.13824	13.7
359.14850	4.0
365.13620	0.9
371.14914	6.6
654.24463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
57.07066	1.0
58.06606	4.9
67.05501	1.0
68.43140	0.7
69.07052	1.8
72.08134	2.8
73.06540	1.5
77.09679	0.7
79.05491	1.0
81.07043	1.1
83.04986	1.6
85.08920	1.0
86.09704	28.4
91.05462	0.6
100.11256	100.0
101.06008	2.4
120.35238	0.7
128.10735	0.9
146.11786	2.7
154.12178	0.7
154.15927	3.5
168.13757	1.0
172.13297	1.1
186.14949	1.7
200.16524	1.4
210.14929	0.8
214.14505	1.0
218.22484	0.7
228.15907	6.3
285.21786	6.3
309.21649	1.2
313.24789	6.9
327.22733	0.8
341.24359	14.2
409.27032	1.6
454.32971	2.5
472.33823	5.7
498.35474	1.3
624.80096	1.0
625.45355	30.8
626.46051	1.0
653.45068	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	652.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01868	0.9
55.05513	2.5
57.03439	1.0
57.07060	0.5
61.02929	1.0
65.03934	0.7
67.05496	1.1
68.99810	0.6
69.03434	2.9
69.07069	6.3
70.06591	2.0
70.72533	1.2
71.01344	0.4
71.04977	0.8
72.08147	0.9
73.02898	1.0
76.02242	0.7
79.05495	1.7
81.03404	3.1
81.07047	2.2
83.08614	1.2
84.04498	0.8
84.08137	1.0
84.84224	0.4
85.02905	18.6
86.09708	1.4
87.00837	2.8
91.05465	4.1
93.07033	2.3
95.01283	0.9
95.03373	0.4
95.04978	0.5
95.08607	3.1
97.02878	3.6
99.04462	0.9
102.05562	0.8
103.03972	0.7
105.01857	4.0
105.07027	8.8
107.08588	4.4
109.02879	2.8
109.10144	0.7
113.02408	0.5
114.10292	1.0
115.05412	0.7
117.03422	0.6
117.06971	1.2
118.34570	0.4
119.08581	35.4
120.08090	0.4
120.08873	0.6
121.10132	2.5
123.11697	0.8
127.03918	5.9
129.01820	0.7
131.08575	1.1
133.10129	36.0
135.11723	2.1
136.07498	0.5
141.01830	3.0
141.02731	0.4
145.02863	3.0
145.04968	1.6
145.10138	2.0
146.03201	1.2
147.04604	0.5
147.11684	4.8
151.03923	0.7
159.02933	1.6
160.12534	1.2
173.13191	1.0
175.14827	100.0
176.15147	1.4
177.05450	6.1
178.05826	2.9
189.03938	1.3
193.15924	2.3
196.90968	0.4
231.04988	2.3
245.17412	0.4
249.06253	0.5
267.05087	0.6
273.06152	0.7
288.40475	0.5
303.04663	0.6
307.17737	0.6
314.81601	0.5
389.06915	0.7
652.32703	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	651.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49120	2.7
53.03929	3.7
55.05503	15.7
55.80790	2.8
57.03437	4.0
57.07061	6.5
67.05501	38.9
69.03449	3.7
69.07066	19.3
71.08624	2.8
71.58418	4.3
79.05494	34.7
81.03439	3.4
81.07059	47.5
83.04958	3.7
83.08610	11.1
85.02892	4.0
85.06533	6.2
85.29076	2.9
91.05470	37.6
92.46654	3.0
93.07045	53.7
95.04970	10.8
95.08607	34.5
97.06542	5.8
103.05448	3.2
105.07035	47.2
107.08583	39.8
109.06525	5.5
109.10177	20.2
111.08109	3.8
117.07027	18.9
119.08577	42.9
121.06480	4.1
121.10146	100.0
123.08064	10.0
123.11732	24.2
125.09681	3.2
128.06183	5.8
129.07007	12.5
131.08560	30.6
133.06509	4.3
133.10139	30.9
135.08089	5.9
135.11731	15.3
137.09608	4.9
141.07004	10.1
142.07799	4.1
143.08534	21.4
145.06451	8.2
145.10139	26.4
147.08075	3.4
147.11667	16.8
149.09612	8.6
149.13264	6.7
151.07544	6.8
153.09106	7.4
154.07735	3.9
155.08585	15.5
156.09418	5.0
157.10126	23.3
159.11665	21.0
161.09618	3.8
161.13295	7.5
163.11194	8.8
165.06998	3.9
165.09103	5.4
165.12724	3.7
167.08588	8.8
167.10683	7.7
169.10112	19.8
171.11670	12.7
173.13261	12.5
175.14807	6.4
177.14684	3.5
179.08522	6.7
180.09331	4.5
181.10136	11.9
181.12250	22.6
183.11714	19.6
184.07458	3.2
185.13261	9.9
187.14832	8.2
189.12889	4.5
191.14284	4.8
193.10197	3.6
195.11690	12.8
197.13309	10.5
199.14816	12.3
201.16338	5.0
202.15927	14.7
203.16200	3.2
207.11723	4.7
209.13258	12.0
211.14854	10.4
213.16486	5.4
215.17921	3.7
218.19322	3.2
219.11427	2.9
221.13289	6.3
221.15210	3.6
223.14865	5.8
225.16385	4.2
235.14833	4.3
239.17995	6.6
241.19579	3.8
249.16380	3.6
251.18024	4.8
253.19560	7.1
259.20694	4.0
263.18066	3.9
267.21088	3.8
283.20554	8.7
293.19034	3.6
300.13593	18.2
301.13751	7.1
377.28336	4.4
379.29764	5.3
391.28305	8.7
409.66418	3.0
471.34769	14.8
511.37778	4.6
517.40375	4.1
523.38397	6.9
541.40430	17.4
559.41388	14.5
561.34100	3.6
615.44128	6.9
633.45404	19.6
651.37231	6.7
651.46478	75.7
652.45435	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	651.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.6
55.01884	6.1
55.05510	41.3
57.03432	12.0
57.07067	9.3
59.05004	3.8
67.05173	7.7
67.05506	100.0
69.03435	23.0
69.07076	19.3
71.01392	3.7
71.04996	7.6
71.58122	4.4
75.37988	3.5
79.05489	35.1
81.03413	61.7
81.07059	69.6
83.04968	23.8
83.08625	14.6
85.02914	6.4
87.60117	4.1
91.05483	32.4
93.07037	40.0
95.04967	11.4
95.08608	40.5
96.38238	3.2
97.02885	25.9
97.06550	10.0
97.10176	15.5
99.04446	7.3
105.07044	22.5
107.08603	27.9
109.02882	8.8
109.06534	6.4
109.10154	55.2
111.04439	10.2
116.18633	3.8
117.07012	12.5
119.08614	21.8
121.06567	4.3
121.10172	13.5
123.08025	5.1
123.11732	11.4
125.09637	14.6
127.03893	11.1
129.05490	15.3
129.07043	10.3
131.08569	22.2
133.10141	15.0
135.08102	8.6
135.11696	10.1
137.09622	5.1
141.07031	4.1
143.08623	6.5
145.10136	14.9
147.11703	12.8
149.13225	7.6
155.08589	4.7
157.10118	4.7
159.11691	7.7
161.09589	3.7
161.13261	5.3
171.10248	4.4
171.11731	6.3
173.09785	3.8
173.11766	14.5
173.13235	6.1
175.11272	4.8
175.14809	6.7
183.11818	5.5
184.07379	9.5
185.13315	4.6
187.11157	5.1
189.11224	17.7
227.12759	18.0
229.14343	17.0
261.22171	7.9
263.23663	5.0
277.21780	4.6
303.23395	4.2
319.74460	4.2
335.25851	13.1
337.27350	15.5
353.24750	4.9
369.24097	6.3
371.17273	6.6
373.18933	4.8
387.25095	5.3
410.91724	3.8
489.35620	6.2
507.36655	5.0
615.38116	5.3
633.39886	18.7
651.40875	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	651.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01845	0.6
55.05487	0.7
55.54469	0.4
60.04503	1.7
60.05631	2.0
62.06672	0.3
65.03918	0.4
67.05490	0.5
67.49738	0.3
68.29486	0.4
69.03411	1.4
69.25375	3.4
70.06577	1.5
71.04973	0.5
72.04427	0.4
72.08154	9.6
73.02888	0.5
79.05471	1.8
80.05006	0.8
80.75985	0.3
81.03397	1.7
81.07054	0.9
83.04987	0.6
84.04488	1.3
84.05603	0.8
84.08117	0.7
85.02913	2.5
85.04005	0.8
86.09714	0.6
89.03921	2.8
89.10777	1.5
91.05480	9.9
93.07047	5.3
95.04948	1.2
95.08595	1.1
96.04497	0.8
97.02903	2.2
97.07666	1.9
98.06046	2.3
103.05434	0.4
105.07018	1.6
107.08556	0.5
108.04477	4.6
109.02876	0.9
110.07117	0.6
114.10289	15.7
115.08698	2.2
117.03382	10.9
117.07016	2.2
119.04945	0.4
119.08579	14.0
120.08042	0.6
121.06476	0.5
121.10185	0.3
122.06042	0.8
123.04417	0.5
123.08009	0.6
126.05505	1.9
126.06603	0.6
126.09071	0.3
127.03894	1.3
127.04967	0.5
129.06966	1.1
131.12914	3.1
133.10126	0.7
134.03615	0.5
135.04417	0.6
135.08017	0.6
137.05943	0.8
138.10231	1.0
139.08678	0.8
140.07111	0.7
144.06607	1.8
145.02840	49.5
146.03154	1.1
147.04384	0.5
147.08040	5.0
148.07561	1.2
149.05992	3.8
151.07533	0.7
155.12877	1.7
156.11359	2.4
157.10835	1.1
162.07573	0.5
163.03920	0.7
165.09087	1.2
175.14832	1.6
177.05466	100.0
178.05829	1.3
186.05475	1.0
197.14044	1.2
232.12013	0.7
247.14374	3.3
248.12791	3.2
265.15546	2.4
287.14050	1.2
290.14941	5.3
303.13348	0.5
307.17624	10.1
308.15097	0.5
331.17648	1.2
332.16061	1.1
349.18777	3.2
373.18530	1.0
374.17184	1.7
379.20007	0.6
583.21362	0.5
607.25171	0.4
633.31158	1.2
651.32367	86.1
652.32550	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	651.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01852	0.7
55.05503	1.2
57.03421	0.5
67.05498	2.3
71.58235	0.8
71.89580	0.6
72.76213	0.5
78.14587	0.5
79.05495	1.9
80.05773	0.5
81.03432	1.0
81.07052	2.1
83.04980	0.6
85.02905	0.8
86.09682	0.6
88.91315	0.7
91.05447	2.4
93.07053	2.5
95.04950	0.6
95.08596	1.2
97.02866	0.8
105.07029	1.2
107.05012	0.7
107.08571	1.1
109.10139	0.8
109.43544	0.5
111.04434	0.6
111.08109	0.5
117.07035	1.0
119.08589	1.6
121.10152	1.3
125.86721	0.5
129.07008	0.7
133.10162	0.6
136.06201	3.5
171.02687	1.0
173.04254	0.8
177.05539	1.4
177.95068	0.6
185.04118	1.0
225.14117	0.5
289.14178	0.6
321.13168	1.0
323.14749	1.4
333.12970	0.8
335.14557	2.6
337.16345	1.7
339.14160	1.0
351.14212	0.8
467.18951	4.3
469.20694	0.5
483.18130	3.6
485.19800	5.5
489.24518	2.7
503.26132	3.4
559.23334	0.6
651.29797	100.0
652.30145	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2983
Annotation	Excelsaoctaphenol
Peak:m/z	Relative Intensity
53.97971	0.6
55.05489	0.8
57.03432	0.6
67.05492	1.8
69.03416	0.9
69.07059	0.7
71.05006	0.8
79.05494	1.7
81.07050	1.9
84.04496	0.8
91.05479	1.7
93.07047	1.8
95.05016	0.6
95.08600	1.2
97.02884	1.0
98.54115	0.6
103.71386	0.6
105.07027	1.1
107.08600	0.8
119.08562	0.6
121.06500	0.7
121.10134	1.5
133.10188	0.7
136.06181	0.6
149.09636	0.7
152.18309	0.6
171.02719	1.6
173.04288	1.1
177.05504	1.2
333.13232	1.2
335.14813	2.6
337.16208	2.2
339.14163	1.4
361.22476	0.6
458.01810	0.6
467.18735	4.1
478.93292	0.6
483.18283	4.1
485.20013	6.3
489.24191	0.8
503.26120	7.8
504.20029	0.8
559.23529	1.0
651.29828	100.0
652.30194	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	650.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.6
56.30265	0.3
58.06594	0.4
59.50928	0.3
59.80840	0.3
60.07882	0.5
60.08163	7.3
64.27770	0.3
67.05483	0.6
71.07369	4.0
71.58622	0.5
80.67930	0.3
81.07053	0.4
86.09702	30.4
93.07070	0.3
98.98450	2.6
104.10738	2.4
109.10168	0.5
125.00000	22.1
143.00993	0.5
184.07333	100.0
536.49829	0.3
650.43909	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01854	2.1
55.05510	12.9
55.83354	0.9
57.03432	6.2
61.02923	3.4
65.03935	1.2
67.05178	2.0
67.05507	29.8
69.03439	7.2
69.07072	7.0
71.04995	3.0
72.50150	1.1
72.71177	1.0
73.02911	2.6
74.95946	1.2
79.05500	15.1
81.03417	14.7
81.06591	1.2
81.07063	20.0
83.04980	3.8
83.08628	7.0
85.02894	4.1
85.06531	1.5
91.03974	1.5
91.05485	17.0
93.07034	14.6
95.04961	6.4
95.08610	10.2
97.02898	7.1
97.06545	2.2
97.10165	7.0
99.04452	1.7
105.07027	13.7
107.04955	1.6
107.08593	10.7
109.02874	1.9
109.06511	1.9
109.10164	18.3
111.04411	1.6
111.08099	1.9
117.07035	7.6
119.08588	12.1
121.06538	2.3
121.10143	7.4
123.04508	1.4
123.08075	2.3
123.11732	1.7
125.09642	5.8
127.03891	2.9
129.05486	1.7
129.06981	5.8
131.08569	13.4
133.10104	7.3
135.08038	2.6
135.11681	4.2
137.09610	2.4
141.06961	2.3
142.07742	1.4
143.08542	6.2
145.10103	8.0
147.08057	1.4
147.11691	7.6
149.09618	1.6
149.13310	1.2
155.08554	3.4
157.10120	6.3
159.11739	6.7
161.09656	1.9
161.13235	3.7
169.10124	3.4
171.08003	1.5
171.11688	5.7
173.09540	1.2
173.11723	3.6
173.13191	2.7
175.11105	1.1
175.14774	1.3
181.10057	1.9
183.11690	2.7
184.07407	1.1
185.09555	1.8
185.13268	3.9
187.14836	1.1
189.11232	2.9
189.12836	1.4
195.11732	2.2
197.13338	2.1
199.11139	1.4
209.13304	1.5
213.12769	1.2
214.06332	1.1
227.12756	4.4
229.14359	5.0
241.19609	1.3
245.13934	1.5
250.94742	1.4
259.20514	2.5
261.22107	2.5
271.20639	2.5
283.15155	6.9
333.20401	2.5
333.24234	2.0
339.17767	3.9
339.23181	1.5
349.21246	1.8
367.22617	1.9
372.95013	1.4
389.22903	3.2
403.24753	1.7
413.30969	1.4
445.36426	1.1
487.34207	20.3
559.31378	1.3
595.35883	3.5
613.37061	3.2
617.23700	7.2
618.24359	2.1
631.38312	5.3
649.26117	53.4
649.38873	100.0
650.26379	9.0
650.39081	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	649.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01872	2.0
55.05510	2.8
55.61341	1.3
57.03437	1.5
61.02930	1.7
67.05502	3.7
69.03416	4.6
69.07079	1.9
69.30951	1.2
69.77136	8.0
70.06598	6.0
71.04990	1.9
72.08163	2.5
73.02927	2.6
75.04472	1.6
79.05499	5.6
81.03467	1.8
81.07058	4.5
83.04990	1.8
84.04490	3.4
84.08139	3.8
85.02917	4.6
85.04192	1.3
86.09709	4.3
91.05500	6.4
93.07040	14.5
94.06583	2.6
94.07375	1.6
95.04949	3.3
95.08607	2.8
96.04475	1.5
96.08155	3.0
97.02901	5.6
97.06538	1.4
105.07042	5.1
106.06573	1.5
107.04962	1.9
107.08588	2.1
108.08126	2.0
110.06096	1.5
110.07230	1.2
111.04436	1.7
115.03914	2.9
117.03413	1.9
117.07023	1.6
119.04977	1.5
119.08604	6.6
120.04458	1.5
120.08103	3.0
121.06557	2.0
121.10144	9.4
122.06030	6.5
122.10467	3.2
123.04416	2.5
123.08031	1.6
124.07591	46.9
124.34776	1.1
133.10118	2.4
134.06050	2.7
136.06207	5.4
136.07565	3.4
136.70830	1.1
137.06010	3.7
138.09196	1.2
140.06999	1.4
144.04524	1.8
145.02847	5.3
145.05234	1.7
145.10184	1.5
146.06032	12.3
147.04396	4.9
147.06837	2.1
147.11688	1.4
148.07642	2.4
149.09628	3.8
150.23108	1.2
152.07202	1.3
162.05563	1.6
162.07690	2.9
162.09120	3.3
163.03923	2.0
163.06314	1.3
164.07162	1.3
172.03917	13.4
173.04779	3.1
174.05501	16.1
174.09146	2.3
176.07068	11.2
177.05495	10.8
180.10172	1.6
181.04916	1.6
187.04388	1.3
190.04947	2.3
191.05836	7.5
192.06517	3.7
199.08620	1.8
204.06569	22.3
204.08478	2.0
206.08128	9.2
207.06554	2.3
208.09796	3.6
211.08748	2.4
211.12329	1.5
212.09364	2.6
213.10245	4.9
215.11823	5.1
225.10193	4.4
226.08604	1.5
226.10892	2.2
227.11858	1.8
237.10213	2.5
238.10922	2.0
239.11804	4.3
241.09761	5.7
241.13116	1.7
243.11311	23.5
245.12924	1.5
249.10164	3.8
250.11179	1.5
251.11911	3.6
253.09776	2.3
254.10455	2.3
255.11320	1.8
256.11954	1.4
257.12897	2.1
259.14557	2.5
262.11023	1.5
263.08160	2.7
264.08917	2.3
265.09744	5.4
267.11279	5.1
269.09357	2.5
269.12866	11.3
270.09656	1.3
271.10938	3.0
271.14325	3.0
275.13828	1.3
279.11337	3.2
281.09167	2.9
281.13809	2.6
282.10190	1.4
282.14044	4.2
283.10834	4.9
285.12350	27.8
287.10211	3.6
289.12518	1.8
293.08585	1.4
297.12338	32.7
298.13107	1.8
299.10352	3.7
299.14429	2.7
300.11026	2.1
300.15128	2.8
301.11838	3.2
303.13397	50.4
304.14230	4.0
309.17651	1.7
311.14053	1.7
313.11969	5.6
315.13437	21.4
316.10822	1.9
318.15897	2.3
321.14334	1.8
323.10263	2.5
328.14499	1.7
329.11682	2.7
329.14963	9.9
330.12344	3.6
330.16022	2.0
332.14166	2.3
332.17807	1.8
337.11713	1.5
341.11658	3.1
342.12500	1.9
343.13077	2.1
344.13913	2.6
346.15564	5.4
347.16278	3.3
353.11288	2.1
354.12155	2.7
355.13187	1.4
356.14102	3.6
357.14783	3.2
358.11703	2.3
358.15628	3.7
359.12329	1.6
360.17078	5.3
368.14050	2.4
370.11642	2.2
370.15710	2.3
371.12454	3.0
372.13269	8.2
373.14026	14.5
374.14960	7.3
376.16388	2.3
384.17294	2.5
385.14130	2.1
386.14996	11.9
387.15771	8.2
388.16757	8.0
396.13531	3.2
402.14352	3.1
404.15985	3.8
405.16525	2.9
406.17618	5.2
410.16409	1.6
412.16602	2.4
413.13589	1.9
414.14392	12.8
415.15332	15.7
416.16080	22.3
418.17514	2.9
428.16016	5.5
429.16824	3.9
430.18054	6.1
432.15628	2.9
433.16309	4.3
434.17014	4.6
438.14481	1.9
442.19681	8.3
446.16959	8.4
447.17850	3.4
456.15564	8.8
457.16251	3.8
458.17221	4.1
459.53540	1.4
474.16602	41.8
475.17291	21.2
476.18069	11.0
476.69330	1.5
487.15707	5.2
488.18237	1.5
489.18796	2.3
490.19824	3.6
506.19055	6.2
507.19565	2.8
508.20596	3.0
557.23737	2.7
581.23993	15.0
599.24988	100.0
600.25128	4.4
631.28040	2.0
649.28003	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	649.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66592	2.0
55.01877	2.7
57.03414	3.2
57.36362	1.9
60.04551	2.1
67.05491	3.9
69.03410	2.3
69.07056	3.3
70.06585	5.0
71.04973	2.4
71.58466	2.5
72.08167	3.9
74.97648	2.2
75.04501	2.6
79.05493	5.9
81.03407	4.3
81.07043	5.0
83.04981	2.3
83.47421	2.3
84.04515	4.7
84.08121	2.0
85.02912	5.9
86.09695	3.0
91.05482	10.0
93.07047	6.9
94.06567	3.1
95.04941	5.0
95.08622	2.9
97.02880	4.2
103.05484	2.3
105.07023	2.5
107.08595	4.7
113.81039	2.3
115.03936	3.5
117.07031	2.2
119.08627	4.0
120.04477	2.8
120.08144	2.7
121.06503	2.4
121.10107	4.6
122.06023	11.4
129.10208	2.7
132.08109	3.0
134.06036	3.3
134.09682	3.3
136.06207	10.0
136.07562	8.3
137.05833	3.0
144.08070	2.8
145.02766	2.4
146.06046	5.0
147.04404	2.7
147.07907	2.3
148.07564	3.0
149.09544	2.1
152.07153	2.9
160.07535	2.7
162.07642	6.6
162.09128	11.0
164.07085	2.9
166.08710	2.3
174.05527	3.7
176.07001	2.8
177.05481	4.9
178.08606	2.6
180.10225	8.1
187.02635	2.4
189.68906	2.2
190.05090	2.1
203.42033	2.3
204.06657	4.4
208.09599	13.8
211.08659	4.8
213.10208	6.9
215.08124	2.6
224.09473	4.0
225.10178	10.2
227.08194	4.2
227.11763	5.1
229.09680	3.1
235.08640	4.4
237.10312	10.2
239.11749	7.0
241.09766	3.3
243.11351	4.5
249.10190	12.1
250.11107	5.2
251.08299	6.7
251.11710	14.8
252.08694	2.7
252.12721	3.2
253.09712	3.4
253.13451	3.6
255.11322	2.8
259.10822	8.1
263.11826	8.3
264.12292	2.6
265.09726	5.3
265.13330	8.0
267.11368	3.8
271.10846	3.6
273.12408	6.6
274.10590	2.7
277.09729	4.8
278.10312	5.1
279.11261	8.0
281.09195	2.5
283.10797	6.0
284.11484	2.7
285.12256	6.4
291.11179	8.3
291.14410	2.5
293.12573	3.1
295.10654	6.2
296.11530	4.7
297.12421	5.2
301.13278	3.4
302.12720	2.5
305.12643	2.2
307.10214	2.2
309.12411	9.0
310.12756	3.4
311.13876	4.0
313.11755	4.8
316.14438	3.5
321.11932	2.8
323.10193	3.9
325.11664	2.3
326.12787	3.1
327.13834	2.4
328.14499	2.8
329.11502	3.2
330.12396	6.7
330.16074	5.0
331.13004	2.5
335.10281	2.9
337.11948	3.9
339.09766	2.9
339.13583	4.3
342.12604	6.3
343.13309	4.7
344.13806	6.0
345.14865	3.6
346.15842	3.7
351.22678	2.4
353.11716	2.6
354.12634	3.0
355.13461	4.0
356.13867	5.8
357.14697	2.9
358.15616	5.9
360.17261	2.7
362.15079	3.7
369.14233	6.4
370.15543	2.6
372.13202	3.0
372.17401	3.9
373.13998	7.6
374.14722	4.5
374.18900	3.2
382.17697	2.6
385.14749	3.3
386.14880	8.0
400.16443	6.9
401.13562	2.8
402.18442	3.4
403.16132	7.1
410.17355	11.1
412.16602	3.5
416.16110	3.7
418.17664	3.6
428.15979	5.7
430.17691	10.4
435.17911	7.1
440.15930	2.8
442.19635	41.0
444.19135	2.7
446.17087	9.7
447.16104	2.7
448.18521	6.1
456.15466	11.7
457.16348	7.1
458.17017	8.1
474.16565	76.2
475.16983	5.6
476.18152	6.8
488.18338	2.6
489.18900	7.4
490.19818	10.9
492.17581	22.2
506.19196	83.5
507.19550	6.8
508.20795	29.1
524.20300	100.0
525.20844	4.2
568.15112	2.4
571.25317	5.4
581.24213	5.9
599.25189	18.4
613.26080	3.1
617.25745	8.3
631.27155	5.6
649.27661	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	647.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99313	8.6
55.05511	20.8
67.05503	83.4
69.03426	17.1
69.07065	21.4
76.97498	8.1
79.05485	39.0
81.03424	14.3
81.07072	61.3
83.04982	14.2
91.05484	33.8
93.07027	23.8
95.04961	11.1
95.08601	100.0
95.66705	8.3
97.06497	10.4
97.72768	9.0
105.07027	34.3
107.03850	7.9
107.08578	33.7
109.10104	8.6
113.06039	8.8
117.07055	9.6
119.08599	49.0
121.10137	26.2
123.08070	35.6
123.11753	9.0
129.07025	9.1
131.08588	14.2
133.10147	22.5
135.11673	28.3
147.11693	20.8
149.09633	64.1
151.07515	14.2
161.09628	10.3
161.13264	19.8
163.11151	10.1
167.66539	8.5
189.12756	22.2
207.13809	62.8
249.55717	9.0
284.92307	11.2
314.41083	8.8
545.27753	8.8
593.28064	8.4
647.41534	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	648.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03951	0.5
55.01866	0.7
55.05498	0.6
57.02297	0.4
57.03426	1.1
58.75419	0.3
59.85887	0.3
60.04519	0.4
60.78130	0.3
61.02910	0.6
63.02365	0.6
65.03941	0.9
67.05496	0.5
69.03433	1.8
69.07042	0.3
69.66593	2.6
70.06581	2.4
72.08157	0.5
73.02921	0.7
73.45921	0.4
76.02250	0.6
77.03951	0.4
79.05471	0.6
81.03411	5.0
84.04489	1.5
84.08143	1.2
85.02883	2.8
85.83292	0.4
86.06065	3.3
86.09695	1.1
86.99052	0.3
89.03891	3.7
91.03965	0.4
91.05475	17.7
93.07039	1.2
95.05000	0.6
97.02892	0.7
97.06539	0.4
98.21296	1.1
99.04465	0.5
102.05537	0.5
103.05453	1.0
105.03404	0.5
105.07019	0.6
107.04952	0.5
107.08562	0.4
109.02873	1.4
109.10164	0.5
110.07117	0.4
117.03368	13.7
119.04934	27.3
119.08614	0.4
120.08114	0.4
121.02811	0.5
121.10143	0.5
127.03957	0.5
129.03326	0.5
129.10233	0.6
130.04984	0.6
132.02045	0.8
134.03633	0.9
135.04396	1.4
136.05167	0.8
136.06165	7.2
137.05919	0.8
145.02837	48.0
145.22104	0.4
146.03233	0.5
147.04396	24.4
148.04710	0.5
149.02365	0.9
149.05980	5.2
152.05641	0.4
157.03992	2.3
159.11642	0.4
162.07571	1.8
163.03906	1.2
164.04683	0.9
165.05502	0.4
175.03899	37.5
176.04257	0.7
177.05457	100.0
178.05820	1.4
179.06985	2.1
186.05478	1.3
189.03241	0.4
207.06512	83.4
208.06882	1.5
225.07603	0.6
280.11780	19.7
287.05396	1.7
351.10730	5.5
361.02194	0.9
369.11746	3.3
373.82907	0.4
379.03336	0.5
406.44034	0.4
522.46472	0.4
612.04492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.05511	0.6
67.05502	1.2
69.03423	0.7
69.07079	0.6
70.07784	0.4
79.05493	1.2
80.00490	0.4
81.03436	0.7
81.07060	2.2
81.79802	0.4
83.08627	0.4
85.10760	0.4
86.09679	0.5
91.05486	1.4
93.07031	1.0
95.04958	0.8
95.08607	0.7
98.21536	1.0
105.07035	1.1
107.08601	0.7
108.60133	0.4
109.10152	0.8
117.07041	0.7
119.08607	1.1
121.06479	0.6
121.10123	0.9
131.08586	0.9
133.10135	0.8
135.11713	0.5
136.65019	0.4
139.36652	0.5
142.25659	0.5
145.10094	0.5
151.07594	0.5
157.94189	0.4
171.11699	0.5
184.07402	0.7
203.05257	0.5
229.62968	0.7
243.08487	0.7
256.70389	0.5
304.30170	0.5
318.78961	0.4
320.97049	0.5
421.56778	0.5
429.26266	1.8
485.28531	2.5
496.79926	0.5
554.52319	0.4
647.33990	100.0
648.34174	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	647.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28223	0.3
55.05507	0.9
63.39579	0.4
67.05521	1.9
69.03420	0.7
69.07053	0.6
71.04981	0.5
71.58434	0.7
79.05498	1.7
81.03436	0.5
81.07066	1.9
83.04995	0.4
83.08636	0.4
85.02901	0.5
91.05494	1.5
93.07053	1.3
95.04991	0.8
95.08624	1.1
97.06516	0.4
105.07034	1.7
107.04995	0.5
107.08607	1.2
109.06546	0.5
109.10152	0.9
117.07012	0.8
119.08605	1.4
121.06528	0.4
121.10140	1.0
123.08107	0.6
123.11663	0.6
131.08565	1.0
133.10153	1.1
135.07954	0.5
135.11720	0.6
145.10133	1.3
146.78490	0.4
147.11687	0.5
149.09558	0.4
155.74190	0.4
159.11647	0.6
161.09569	0.4
163.11168	0.7
167.10681	0.4
173.13258	0.5
203.05281	0.5
207.86420	0.4
243.08528	1.1
395.16052	0.5
429.26074	1.8
443.32376	0.5
467.28143	0.5
485.28986	1.4
619.34454	0.6
647.33997	100.0
648.34320	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	646.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.01855	1.5
55.05498	5.9
55.29976	1.2
57.03439	7.8
67.05496	3.0
69.03428	50.5
70.12212	3.4
70.12617	3.4
71.01349	8.2
71.01667	1.8
71.04990	6.0
73.02911	4.9
74.21020	1.2
75.04476	10.7
77.03921	1.6
79.05488	12.9
81.07047	8.5
83.04978	31.0
85.02431	2.2
85.02902	32.3
85.64377	1.2
86.09727	1.3
87.04440	2.1
91.05477	17.1
93.07037	100.0
95.04974	12.5
95.08596	4.9
97.02886	5.8
97.06513	1.6
98.07516	1.2
99.04436	3.2
105.07015	8.9
107.08599	7.0
109.06478	1.7
111.04426	20.4
111.08066	6.9
113.06042	1.8
115.03899	3.5
119.08579	13.4
121.06472	2.2
121.10136	84.4
123.08058	2.6
123.11723	2.4
129.05490	19.1
129.06953	1.4
131.08537	5.7
136.06192	7.4
139.11169	5.1
145.10132	2.6
147.08043	1.6
149.09625	20.8
152.05626	1.7
161.09648	2.6
167.10680	23.0
169.21574	1.4
171.11678	1.6
177.05380	2.0
184.07326	4.4
243.08670	1.3
259.13297	3.1
277.14319	4.7
281.13794	3.9
295.15375	72.8
296.15851	1.9
313.16425	95.0
427.19528	4.2
443.24802	1.8
445.20651	3.3
447.74026	1.8
450.04526	1.5
461.25156	3.9
497.33087	1.4
585.19849	1.5
642.69452	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20136	1.2
60.73461	1.2
71.36447	1.1
71.58155	1.1
71.58582	1.5
107.24146	1.0
386.86328	1.2
391.57928	1.3
401.17563	3.3
403.19019	2.5
417.20743	4.6
429.16998	3.7
430.17627	2.0
431.18057	6.2
433.18872	1.2
433.23843	6.9
444.19250	5.6
445.19763	7.5
446.20715	2.0
458.20905	1.8
459.21783	36.9
460.22552	7.0
461.23151	5.1
473.23224	3.1
519.23438	6.2
531.23218	1.5
532.24677	1.3
547.26886	14.1
563.26349	1.7
574.25397	1.6
588.14966	1.6
591.25897	1.6
599.39941	1.4
606.28363	100.0
607.28387	4.3
617.26257	1.4
646.31207	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	646.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
54.56842	1.1
55.01862	3.8
55.05516	1.4
57.03433	2.3
58.99580	0.9
59.74822	1.0
65.03934	2.2
67.05489	3.2
69.03425	9.8
70.06583	1.3
71.04982	2.1
71.57780	2.1
73.02917	4.6
79.05075	1.2
79.05497	12.3
81.03418	10.7
81.07043	4.2
83.04955	1.1
85.02420	1.5
85.02894	13.9
86.00622	1.6
86.09731	1.0
88.03993	14.6
91.05478	50.4
93.03407	3.9
93.07040	47.9
95.04958	4.1
95.08594	8.7
97.02888	19.8
99.04451	7.7
103.05447	1.3
104.06261	1.8
105.07020	8.6
107.04963	1.7
107.08590	13.3
109.02881	34.5
109.06487	1.6
109.10153	3.3
109.53215	1.0
110.62834	1.0
111.04381	1.2
115.03878	1.4
115.05399	1.3
117.07020	15.7
119.08577	100.0
120.08937	1.2
121.06512	1.7
121.10135	8.6
122.02718	6.1
123.04474	2.4
123.08055	1.0
125.04254	1.5
127.03918	14.5
127.05766	3.7
128.06236	2.5
128.45116	1.0
129.06998	7.7
131.08582	1.5
132.01172	2.2
132.05714	1.0
135.08054	15.0
137.05969	1.8
137.09604	9.8
143.08577	2.3
145.04895	4.6
145.06435	2.6
145.10075	1.3
147.08041	58.9
149.09641	1.6
151.05779	2.4
153.07283	1.4
153.09114	2.4
155.42097	1.0
159.08040	1.3
165.09103	40.1
171.08234	1.2
177.09134	1.1
179.05206	1.5
181.06812	2.7
183.10139	6.3
196.06013	1.0
199.07872	4.7
201.09099	1.1
215.10692	1.1
217.08972	2.8
217.12157	1.2
227.10619	2.6
230.04805	3.4
240.10368	1.2
243.10234	2.5
268.09998	2.8
273.11380	1.5
286.11057	36.3
291.12164	2.0
293.90271	1.1
297.13278	2.8
304.12115	10.1
309.13269	13.1
325.10797	1.2
327.14313	12.9
343.12180	2.2
361.13104	3.2
394.13071	1.3
412.14215	11.0
430.15335	35.6
448.16342	32.0
466.17422	17.3
468.45782	1.0
484.18332	2.1
610.21606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05645	2.8
65.03935	1.3
69.03420	0.6
70.06576	0.5
70.97827	1.3
72.08154	10.8
81.03397	1.4
81.96455	0.4
85.02883	0.6
89.03911	1.0
89.10778	2.1
91.05476	12.8
97.07631	2.7
98.06037	1.4
100.92389	0.5
105.07937	0.6
108.04448	0.6
109.02855	0.5
114.10288	19.8
115.08686	2.6
117.03370	3.2
119.04942	28.9
126.05584	1.0
130.12970	0.5
131.12914	3.1
135.04398	0.7
138.10272	0.5
139.08699	0.9
141.28033	0.5
145.02835	9.8
147.04402	100.0
148.04735	1.2
149.05969	0.6
154.96231	0.5
155.12965	0.6
156.11353	1.5
157.03996	1.2
157.10983	0.5
175.03900	24.4
177.05464	18.1
179.07039	0.5
207.06526	31.4
217.13374	4.8
218.11713	4.4
235.14462	1.2
248.56570	0.5
260.13953	5.9
277.16559	9.3
290.15128	0.6
302.15134	0.8
307.17728	0.9
319.17722	1.4
344.16132	1.0
609.25952	0.7
628.24884	0.9
645.27625	76.5
646.27838	2.2
662.85986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84489	0.1
51.02371	0.2
55.02984	0.2
55.05504	0.4
56.05026	0.2
60.05647	2.5
61.02922	0.2
63.02373	0.2
65.03928	1.3
69.03432	0.2
69.72430	0.9
70.06603	0.9
72.08159	5.3
73.82603	0.2
79.05129	0.2
81.03419	1.7
85.02912	0.7
86.09703	0.3
89.10771	0.2
91.05482	13.2
95.04964	0.2
97.07652	1.7
97.40355	0.2
98.06058	0.9
103.05443	0.2
104.90551	0.2
109.02892	0.5
111.59766	0.2
114.10291	11.1
115.08691	2.0
117.03394	0.2
119.04944	29.0
131.12921	2.3
135.04520	0.2
145.02876	1.1
147.04410	100.0
148.04755	0.7
157.03969	0.5
157.10876	1.0
167.07010	0.2
175.03909	16.8
177.05473	2.5
179.07018	0.4
184.66228	0.2
192.04192	0.3
193.04994	0.2
207.06529	27.8
208.06841	0.3
217.13354	3.8
218.11761	3.8
255.11325	0.2
260.13947	3.5
260.16602	0.2
277.16574	2.9
278.16006	0.2
285.17090	0.3
293.66858	0.2
299.21924	0.2
302.15063	0.2
315.04993	0.2
316.05353	0.2
344.16141	0.2
351.10663	1.3
369.11801	0.5
515.15161	0.3
585.24329	0.4
628.24854	1.2
645.27661	65.8
646.27893	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	645.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04688	0.5
53.03933	0.8
55.01855	1.9
55.05497	1.3
57.03431	1.2
65.03937	1.6
67.05491	1.4
68.99813	0.7
69.03418	1.9
69.07057	0.7
70.06593	4.7
71.04985	1.0
71.57991	0.5
72.04517	0.9
72.08136	1.2
73.02898	1.3
79.05476	2.3
81.03406	1.5
81.07047	2.4
83.04963	1.1
84.04502	1.5
84.08129	2.4
85.02900	3.0
86.09711	2.8
91.03978	0.7
91.05479	2.5
93.07050	2.8
94.06556	2.6
95.04958	2.4
95.07345	1.3
95.08585	1.6
96.65018	0.6
97.02901	1.5
97.06534	0.6
98.07504	0.5
103.05467	2.3
105.07040	3.0
107.04962	1.3
107.08566	1.1
109.10162	0.7
110.07204	0.6
111.04414	0.8
115.05483	1.2
117.03326	0.8
117.07024	0.9
118.11745	0.6
119.04973	1.8
119.08565	2.1
120.08108	2.2
120.90733	0.7
121.06496	1.3
121.10133	1.9
122.05155	1.1
122.06023	14.3
122.06892	0.9
123.04439	3.6
125.06057	0.6
126.05527	0.7
127.03867	0.7
129.06961	0.9
129.10339	0.6
131.04915	3.2
131.08569	0.9
132.05695	0.7
133.06459	1.2
133.10121	2.3
135.04372	0.6
135.08099	0.7
136.06151	1.4
136.07509	0.7
137.02322	0.7
137.05957	1.7
138.05458	1.2
138.62706	0.6
139.03839	0.7
139.07510	0.6
145.02837	1.2
145.06476	0.9
145.10063	1.0
146.05983	3.0
147.03397	0.6
147.04399	3.2
147.11679	0.6
148.05203	1.4
148.07545	0.7
149.05898	1.5
149.09557	0.9
151.03902	1.6
153.05525	0.7
159.08035	0.8
160.07507	1.2
161.05952	2.1
162.06374	1.0
162.07599	1.4
163.03920	0.6
163.07558	2.4
165.05498	2.7
167.07074	8.4
173.05962	0.9
174.09116	4.0
175.07521	0.6
175.14880	1.4
177.05428	4.1
180.08070	0.6
181.04929	3.5
184.07445	1.1
185.08356	3.4
189.09193	0.7
191.07014	9.5
191.10420	0.6
192.07718	1.1
193.08664	1.3
194.08301	1.0
195.09178	1.0
196.09862	0.9
197.10756	1.1
198.09180	0.8
198.11478	0.7
200.10713	0.9
204.37389	0.7
205.08736	0.6
207.06592	1.5
208.09955	1.8
209.08118	2.5
209.10739	5.8
210.11433	3.8
211.12309	1.7
212.10690	1.2
213.10249	0.9
214.11023	1.9
217.08586	1.2
219.10176	1.5
221.08073	1.6
221.10843	0.6
223.08638	1.2
223.12257	3.5
224.09309	1.0
224.13039	1.4
225.10165	4.7
225.13795	0.9
227.11790	1.8
230.11615	0.8
231.06444	0.7
235.08792	0.6
236.09488	1.9
237.10201	9.4
238.10989	2.2
239.11780	6.9
240.12492	1.9
241.09668	1.3
241.13368	0.9
242.10338	4.6
243.11220	0.6
251.11792	5.4
252.12537	4.6
253.09700	0.6
253.10637	0.6
253.13344	5.7
255.11252	5.1
256.12045	2.7
257.09061	0.7
257.12906	1.3
265.09625	1.3
266.10471	1.5
269.12833	2.9
272.11545	1.1
274.04321	0.9
279.11386	3.2
280.08997	1.3
280.12061	23.5
281.12845	13.6
283.10849	2.7
285.12387	2.2
287.10120	1.0
297.12296	4.2
299.13965	2.7
302.04037	0.9
303.04816	1.5
303.13315	1.2
305.09119	1.0
307.10754	1.8
310.09488	1.5
315.05228	0.9
317.06607	1.5
317.10202	1.5
323.10373	1.7
325.11829	100.0
326.12064	3.5
343.12888	63.4
344.13193	2.1
351.09439	0.9
383.14813	0.7
397.25281	0.7
419.16437	0.9
441.15363	1.2
511.12659	1.0
512.12506	2.2
513.12976	9.9
583.25500	8.4
645.29895	3.9
662.72327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.5
57.63649	1.0
67.05505	9.9
69.07064	3.4
70.04721	1.1
71.08612	1.4
71.58393	1.7
73.00414	0.9
79.05506	7.3
79.45177	1.1
81.07063	7.4
83.08589	1.2
87.04465	1.3
89.06023	3.8
91.05462	6.3
93.07026	5.9
95.04948	1.8
95.08604	3.9
97.10170	1.4
105.07027	4.9
107.04965	2.1
107.08613	3.0
109.10146	2.8
119.08572	4.6
121.10148	4.0
123.11662	1.7
125.09634	1.4
131.08548	2.2
133.08591	2.2
133.10127	2.7
135.11668	2.2
137.21892	1.1
143.08607	1.3
145.10153	2.0
147.11725	2.4
157.10191	1.4
159.11621	2.0
179.14330	1.6
183.11742	1.5
275.19968	1.4
277.21594	2.8
335.25742	1.5
355.13702	1.2
384.71158	1.2
399.14362	1.3
413.15817	2.9
414.17068	5.7
415.17441	2.0
423.14545	1.8
427.17542	1.6
428.18201	2.6
429.18552	2.1
435.14221	1.5
436.15472	1.6
437.16046	4.9
438.16718	1.6
442.18222	1.3
443.20392	4.0
449.16217	2.5
450.17004	3.0
451.17712	12.3
452.18515	3.8
455.17136	2.1
464.18649	3.3
465.19571	8.2
466.20944	5.2
467.16855	3.0
470.19241	3.1
471.19632	1.8
478.16479	4.9
479.20871	5.4
480.21500	2.1
481.18420	6.4
483.16562	1.6
484.17154	3.1
492.17868	3.4
493.18890	3.1
494.19626	8.0
495.20120	3.9
496.17456	3.6
497.17773	1.3
498.18600	8.4
507.20569	12.3
508.17783	6.8
509.18292	2.6
510.18668	3.7
511.19550	2.0
512.16443	3.1
521.18713	1.3
524.20251	1.5
525.21289	2.4
526.20325	4.2
539.22888	2.5
558.24438	6.3
567.22400	62.4
568.22595	3.1
585.23022	21.4
586.23450	5.3
608.24701	3.6
627.24493	100.0
627.46075	3.3
628.24384	4.6
645.25299	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	644.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01869	2.7
55.05497	3.7
56.05035	1.2
57.03434	4.1
58.06579	1.0
59.81235	0.9
60.04525	1.4
61.02921	6.8
63.28977	1.1
63.55192	0.9
65.03928	4.4
67.05493	10.0
69.03416	3.2
69.07068	5.9
70.06589	16.1
71.04996	2.5
72.08171	4.9
73.02910	3.3
78.04705	3.5
79.05479	8.7
81.03414	3.0
81.07049	22.4
82.04208	1.2
83.04965	3.2
83.08605	1.7
84.04514	1.8
84.08134	4.8
85.02901	11.0
86.09699	3.6
88.04022	1.0
89.03930	1.4
91.03957	4.4
91.05473	14.6
92.05811	1.4
93.03406	1.7
93.07032	7.4
95.04971	7.1
95.08604	6.7
97.02895	6.6
97.06522	3.3
99.08088	1.5
103.05452	5.8
105.07025	12.1
106.04187	3.3
107.04958	6.4
107.08606	4.9
108.05279	1.7
109.06538	2.9
110.03699	1.3
110.07155	1.6
111.04441	2.4
115.05454	6.6
115.08748	1.0
116.07080	1.8
116.67118	1.0
117.03409	1.3
117.07020	9.7
118.04102	1.0
118.07349	3.3
119.04962	2.4
119.08573	10.0
120.08126	1.8
121.06487	4.1
121.10139	8.7
122.03642	1.4
123.04441	11.4
123.08060	1.7
123.11715	10.2
124.03974	1.7
124.05152	1.7
125.06049	1.4
127.03876	2.3
129.06989	2.0
129.10255	1.8
131.04924	6.0
133.06448	3.0
133.10141	3.4
135.11676	1.0
136.07596	3.4
137.05989	3.6
145.02858	3.2
145.04938	2.2
145.06493	13.4
145.10072	1.2
146.06847	6.5
147.04402	3.7
147.08023	1.8
147.11682	30.1
148.05200	1.9
149.05971	5.8
151.03897	2.7
151.07564	1.4
152.04503	1.3
153.01845	1.4
153.05313	1.7
154.08649	1.4
155.06041	3.2
156.06372	1.2
157.10016	1.4
157.73578	1.1
159.09192	1.8
159.11789	1.0
160.07474	1.5
161.05978	4.7
163.03992	1.4
163.06093	1.8
163.07520	3.6
165.05435	1.8
165.12743	15.0
167.07036	100.0
168.07367	32.6
169.07593	1.1
171.06554	3.4
173.05983	16.0
174.06299	8.1
175.11159	1.2
177.05466	8.9
178.05838	1.6
181.04951	47.7
181.06522	2.4
181.08511	1.6
182.05304	16.1
184.07318	1.2
191.07004	13.0
192.07523	2.4
193.08528	1.5
195.06548	1.6
201.05278	1.1
202.08635	2.3
203.06963	1.2
205.08521	5.2
206.09004	3.0
207.06497	1.5
209.08031	6.3
221.08051	1.2
229.14391	3.3
231.10277	1.1
233.08031	5.9
234.08470	3.4
235.09569	5.7
236.10057	4.1
263.09128	1.9
267.15906	32.9
285.16953	84.5
286.17325	1.4
297.11148	1.4
304.05063	1.2
306.13300	1.6
326.10941	1.4
337.95395	1.0
357.13309	3.0
358.13730	4.7
385.12875	16.5
386.13184	27.5
387.14093	4.4
388.14761	5.8
417.15363	6.8
418.15695	11.1
644.24109	37.4
644.33215	1.3
645.24182	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	644.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01871	1.9
55.05499	3.4
57.03444	4.4
61.02919	6.2
65.03918	1.3
67.05503	9.5
69.03428	1.4
69.07069	5.8
69.94312	3.4
70.06601	4.8
70.44813	0.7
71.04989	1.8
72.08150	2.4
73.02915	1.7
79.05492	6.8
81.03432	1.1
81.06582	1.6
81.07056	30.9
81.39465	0.8
83.04970	3.6
83.08618	3.7
84.08154	2.8
85.02905	10.0
85.06543	2.3
86.09689	2.2
91.03948	4.6
91.05482	10.9
93.03353	0.8
93.07048	7.2
95.04975	3.6
95.08607	6.9
97.02878	3.8
97.06536	4.1
97.97315	0.7
99.04454	1.1
99.08104	1.9
103.05488	6.4
105.07029	17.6
106.04183	1.8
107.04960	2.8
107.08598	5.8
109.06523	2.8
109.10178	0.8
115.05442	2.6
117.07023	2.2
118.04167	1.0
119.04911	1.0
119.08575	12.8
120.04449	2.9
121.06483	3.8
121.10142	10.9
122.03728	0.9
123.04409	1.8
123.08069	2.5
123.11690	13.7
125.05972	1.6
127.03918	2.5
127.07578	2.0
129.07025	2.0
131.04916	7.0
131.08578	1.5
133.06485	2.9
133.10094	2.2
137.05968	2.7
137.13283	1.0
138.05482	1.2
141.09067	1.1
145.04967	2.0
145.06468	1.8
147.04367	1.1
147.11688	38.6
148.05254	3.7
148.12054	1.1
149.05991	4.8
153.05492	1.3
153.09117	1.1
157.10088	1.0
161.05954	3.7
163.03935	0.9
163.06055	2.3
163.07567	5.5
165.12761	18.3
167.07059	16.3
171.06525	1.4
173.06009	1.9
175.07471	0.8
175.11182	2.3
177.05463	3.4
181.04945	23.0
181.08531	1.9
183.13773	1.3
186.42438	0.8
191.07019	27.0
192.07547	1.1
193.08667	1.6
193.12341	1.3
195.06563	1.4
196.84364	0.8
205.08600	1.3
207.06404	0.9
209.08087	11.5
219.10161	3.0
229.14311	4.3
233.08060	2.2
235.09760	1.3
245.08151	0.9
262.53915	0.7
263.09183	6.5
267.15906	24.9
271.88562	0.8
281.08139	1.0
281.15897	0.8
283.47018	0.9
285.16965	100.0
286.17365	1.8
299.65106	0.8
316.06601	0.8
326.11539	0.9
346.95496	0.9
357.13257	1.5
385.12820	3.4
409.10825	0.8
417.15433	2.8
429.21429	0.7
447.22079	4.3
461.74707	0.9
568.55463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.5
55.01871	10.5
55.05509	28.3
57.03428	10.5
57.07074	4.6
64.00483	2.5
65.03937	4.6
65.66698	3.1
67.05507	66.9
69.03421	5.1
69.07071	24.0
69.38184	18.2
69.38600	9.4
71.04998	4.4
71.08617	3.4
76.26772	2.5
79.05492	52.8
81.03419	7.9
81.06583	5.2
81.07059	87.4
83.05000	7.5
83.08622	11.9
83.19872	2.9
85.02930	3.1
85.06586	3.6
86.06059	3.7
91.05482	44.9
93.07049	45.9
93.39478	3.1
95.04990	17.3
95.08607	43.9
96.08870	3.6
97.06522	12.2
97.10174	10.7
102.40698	2.5
105.07030	45.6
107.04967	6.3
107.08598	35.6
109.06523	12.8
109.10155	22.9
111.04436	6.9
111.08105	8.9
112.91807	2.8
113.09638	3.9
117.07038	18.5
119.08588	32.7
121.10138	44.9
123.08057	14.7
123.11696	8.1
125.09610	6.1
129.07030	7.9
131.08545	23.6
133.06447	3.4
133.10095	21.0
135.08084	4.9
135.11673	16.9
137.09589	5.9
143.08591	5.9
145.10115	22.3
147.08054	3.3
147.10709	3.4
147.11697	19.2
149.09645	5.4
149.13319	6.7
151.11128	4.9
157.10133	8.7
159.11685	13.0
161.13277	11.4
163.11259	9.6
165.09024	3.7
165.12808	7.7
169.10193	5.1
171.11693	5.7
173.13286	8.2
175.11218	2.9
175.14766	4.3
177.12782	3.5
181.12311	3.4
185.13333	5.6
187.14809	3.5
189.11243	7.0
193.10286	3.2
195.13962	3.4
197.13258	2.9
199.14835	3.1
201.16350	3.4
213.16447	3.4
215.18022	3.5
227.12804	7.7
241.19466	7.7
257.18988	5.0
259.20572	17.4
261.22141	4.3
273.18512	10.7
275.20007	18.9
277.21466	6.1
291.19565	19.7
333.24319	12.0
335.25824	17.2
349.24124	4.2
351.24936	3.1
367.24869	6.5
411.14932	4.9
424.15399	3.9
425.15863	6.6
426.16895	5.0
438.12592	3.8
441.19141	14.7
442.19852	4.7
452.14743	3.3
453.15500	6.0
466.12680	3.4
467.17780	6.0
468.17859	5.6
469.18701	26.4
470.19122	5.6
481.14682	14.1
482.15472	5.9
496.17352	10.8
497.17728	11.2
509.18427	3.9
515.37848	3.0
545.38214	5.8
555.22522	6.4
583.12561	5.0
583.21844	100.0
584.22119	25.7
625.44336	17.3
643.23999	44.7
643.45416	13.8
644.24268	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	643.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27224	1.4
53.03939	4.0
55.01869	9.9
55.05507	19.3
57.03436	28.8
57.07077	3.4
65.03934	5.4
67.05503	88.0
69.03430	2.6
69.07063	19.6
69.38349	13.3
71.04989	3.8
71.08659	1.9
72.68415	1.1
79.05492	51.5
79.22850	1.4
81.03419	2.5
81.07054	65.2
83.04965	6.0
83.08624	7.9
85.06542	14.5
91.05479	41.7
91.05933	1.0
92.56165	1.2
93.07043	55.8
94.07381	1.4
94.70545	1.3
95.01383	1.6
95.04963	62.2
95.08605	43.5
97.06507	8.7
97.10178	5.1
99.08121	2.3
105.07026	31.6
107.04961	10.7
107.08591	29.2
109.06512	71.4
109.10160	14.9
110.06813	1.4
111.08073	2.8
113.05994	37.6
113.09618	2.4
115.05470	3.5
116.06219	1.8
117.07011	14.0
119.08572	18.8
121.06490	8.1
121.10134	17.8
123.08055	5.4
123.11712	3.4
125.09627	2.7
128.06235	3.5
129.07013	9.0
129.27153	1.2
131.08572	25.5
133.06505	3.3
133.10136	12.4
135.08054	46.2
135.11664	13.7
137.09595	2.2
141.06981	2.9
142.07773	2.1
143.08540	12.7
145.10107	15.2
147.08076	6.9
147.11685	8.0
149.09612	8.6
149.13286	7.0
150.46548	1.2
151.11221	2.9
153.09077	1.5
155.08588	2.1
157.08994	1.4
157.10065	7.4
159.08055	1.5
159.11687	10.3
161.09612	9.8
161.13242	3.8
163.11140	4.4
163.14882	1.4
163.53192	1.6
165.09178	2.0
165.12775	1.6
169.10092	2.3
171.11697	5.1
173.09656	1.6
173.13210	6.2
175.11165	3.2
177.12773	2.8
179.14343	1.8
181.09990	1.4
181.35286	1.2
183.11710	3.5
185.13315	2.7
187.11215	2.6
187.14812	2.8
195.11758	2.1
195.13846	2.4
197.13315	1.8
199.11069	1.7
199.14851	4.5
201.12730	4.0
209.13394	1.3
217.15868	17.5
227.17963	2.9
233.15305	1.7
245.19095	2.2
249.15041	1.7
255.17557	3.4
259.20477	1.7
261.22119	2.6
273.18475	39.2
274.18759	1.6
275.20020	4.1
277.21548	2.7
291.19528	100.0
292.19864	3.1
305.52725	1.4
309.20627	1.8
317.24277	1.4
333.24478	1.5
335.25793	81.4
336.26208	4.1
347.22263	7.8
349.24036	1.4
365.23114	8.9
390.95450	1.4
416.95395	1.3
607.43414	4.8
625.44470	27.1
626.44507	1.9
643.45117	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.4
52.51605	1.3
53.03917	4.1
55.01868	8.5
55.05512	20.0
57.03188	2.2
57.03437	27.3
57.07068	1.6
57.39603	1.6
65.03928	5.2
67.05502	84.7
69.03413	3.7
69.07069	16.6
71.04985	3.1
71.19624	3.6
79.05492	54.4
80.05824	1.7
81.03396	2.6
81.06584	2.8
81.07054	57.5
83.04960	4.3
83.08578	7.2
85.06543	15.3
89.39506	1.4
89.94180	1.2
91.05479	44.4
93.07040	55.2
95.04366	2.8
95.04966	58.1
95.08599	38.3
97.06523	8.3
97.10152	4.2
105.07023	31.6
107.04948	8.1
107.08587	32.8
109.06514	61.8
109.10152	11.8
111.08083	3.5
111.63333	1.7
112.83656	1.6
113.05994	31.4
113.09650	1.7
117.07011	16.2
119.08587	19.8
121.06491	6.5
121.10140	15.9
123.08025	5.2
123.11696	4.2
125.09685	3.3
128.06183	2.0
129.07004	8.8
131.04919	2.0
131.08559	21.7
133.06444	3.5
133.10138	12.4
135.08049	49.0
135.11690	11.3
137.09627	1.8
141.06984	1.9
142.07791	2.0
143.08534	9.9
145.06450	2.3
145.10104	13.5
147.08028	7.0
147.11687	9.7
149.09615	3.6
149.13228	6.5
151.11194	2.7
155.08524	1.5
157.10098	6.8
159.08070	1.7
159.11691	9.2
161.09595	7.0
161.13271	5.2
163.11143	4.2
168.01273	1.5
169.10118	2.3
171.11681	5.4
173.13263	7.3
175.11052	2.8
177.12724	2.3
179.14374	1.6
183.11606	3.9
185.13254	4.2
187.11206	2.7
187.14745	2.3
189.16441	1.6
195.11740	2.6
195.13768	2.0
199.14839	5.1
201.12737	4.0
202.24532	1.4
213.12782	1.7
217.15906	19.5
227.12694	2.1
227.18025	1.7
229.10124	1.7
233.15149	1.9
237.16270	1.7
245.19089	2.0
255.17474	4.5
259.20554	2.5
261.22180	2.6
273.15430	2.0
273.18469	41.5
275.20020	3.5
277.21582	2.2
291.19531	100.0
292.19891	1.6
309.20447	2.2
335.25787	83.5
336.25858	2.4
347.22092	6.8
365.23340	7.2
607.43286	4.4
625.44769	26.4
643.45081	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29619	2.8
53.00298	2.6
53.03937	8.1
55.01865	17.6
55.05510	26.1
57.03440	22.3
57.07067	3.2
58.64149	3.3
59.09094	2.4
65.03925	9.9
67.05503	89.1
69.03393	4.0
69.07066	18.8
69.24709	36.5
70.11916	2.9
71.04993	7.8
71.08601	5.5
79.05493	61.4
81.03424	7.3
81.07053	67.8
83.04961	4.7
83.08617	8.4
85.06533	16.0
91.05484	44.9
93.07043	54.1
95.04967	70.4
95.08614	38.1
97.06527	13.7
97.10181	4.0
98.20757	4.7
99.08056	3.5
105.07028	38.7
107.04933	11.9
107.08593	37.1
109.06521	75.7
109.10144	14.4
111.08089	5.1
113.06015	31.5
115.05401	4.7
117.07021	18.1
119.08592	25.5
120.40057	3.1
121.06511	6.7
121.10134	21.6
123.08053	7.2
123.11651	4.0
129.06985	9.6
131.08574	30.5
133.10118	11.8
135.08058	47.0
135.11702	16.5
137.09590	3.9
142.07706	3.5
143.08543	8.6
144.44099	3.0
145.10143	20.7
147.08070	5.7
147.11694	13.8
149.09630	10.3
149.13281	7.4
151.11134	4.3
157.10124	9.1
159.11690	9.4
161.09584	11.5
161.13277	4.2
163.11232	5.9
165.12762	4.0
171.11668	6.7
173.13278	3.1
175.11205	4.2
177.12794	3.7
179.14262	3.2
183.11671	6.0
185.13304	4.5
187.14792	3.6
199.11250	4.1
199.14748	7.2
217.15877	21.2
218.31737	3.0
241.19437	3.4
245.18867	3.7
255.17500	6.2
255.20427	2.9
261.22604	3.3
273.18530	43.5
275.20050	12.9
277.21573	6.8
291.19550	100.0
292.19913	3.5
293.21106	3.5
335.25760	45.0
347.22110	4.7
349.23834	3.6
365.22977	10.5
512.08044	3.3
569.89008	3.0
599.74677	3.3
607.43768	4.8
610.08258	3.3
625.44690	31.7
643.44965	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	643.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29399	1.4
53.19624	1.3
55.05503	1.8
57.07063	2.4
67.05499	2.1
69.07069	2.3
70.64649	5.1
71.08614	2.4
81.07050	2.4
93.45423	1.4
97.10178	2.1
98.20751	1.6
115.88561	1.3
121.10140	1.5
277.63516	1.5
331.18866	4.1
333.20319	4.9
387.21506	3.3
389.22824	1.7
406.38989	1.6
643.45404	100.0
644.45581	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	643.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23027	0.8
53.03930	1.1
55.05511	6.1
55.20242	0.9
57.03429	1.9
57.07085	1.0
58.99884	1.3
64.63991	0.8
65.03960	1.0
67.05506	14.0
69.07073	5.5
69.40016	9.5
71.04991	1.2
77.00914	6.9
79.05486	9.0
81.03432	1.5
81.07062	13.0
83.05003	1.6
83.08596	2.0
85.06543	1.1
91.05486	11.9
93.07040	11.7
95.01933	6.2
95.04976	2.1
95.08614	7.2
97.06548	1.8
97.10199	1.2
98.21485	1.2
98.98572	1.0
105.07043	10.0
107.04973	1.6
107.08604	9.1
109.06537	2.7
109.10162	3.7
117.07037	3.2
119.08560	8.1
121.10124	5.4
123.08009	1.3
123.11678	1.4
125.09669	0.9
131.01929	2.0
131.08606	4.5
133.06502	1.0
133.10115	5.1
135.08086	1.0
135.11676	2.3
143.08572	1.8
145.10162	5.5
147.08046	1.4
147.11693	4.6
149.09613	1.0
149.13229	1.4
157.03456	1.0
157.10081	2.4
159.11688	3.2
161.13260	2.9
163.11353	1.0
164.46436	1.2
167.05560	1.3
169.09972	1.1
171.11731	1.5
173.13289	2.4
175.14818	1.2
178.01137	1.0
183.11682	0.9
185.06564	14.3
185.13206	1.5
187.14752	1.6
201.09573	1.2
203.07640	6.0
208.08200	2.2
209.10303	1.3
212.03828	1.1
215.11356	2.2
225.13234	5.0
227.11278	2.8
239.11375	0.9
241.12897	3.5
241.19533	2.9
243.14426	40.6
244.14584	1.1
253.12845	1.4
257.12378	2.0
257.18964	1.6
259.20590	6.5
261.15475	15.5
263.11386	4.1
264.12091	2.0
266.15997	2.7
275.20047	5.3
281.12350	7.6
282.13086	2.3
283.14017	1.4
293.21243	1.2
300.14215	1.8
309.15436	2.0
315.17999	1.4
333.19186	17.5
333.24112	3.8
351.20163	100.0
352.20288	2.4
356.20764	1.1
367.24973	2.7
374.21762	16.6
509.17963	1.1
522.88483	0.9
533.39081	1.3
540.38599	0.9
545.37891	1.4
583.21967	2.8
601.22760	1.3
625.44543	1.1
643.23779	3.5
643.40387	12.0
644.23376	1.7
644.41052	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
55.05510	2.1
58.87470	0.6
59.00697	0.5
59.08789	0.6
67.05502	3.1
69.07064	0.6
71.08632	0.6
71.49792	0.7
76.77869	0.6
79.05495	2.5
81.07062	3.3
90.08115	0.6
90.65871	0.6
91.05502	1.5
93.07047	1.9
95.04945	0.7
95.08611	2.2
105.07059	1.9
107.08609	2.0
109.10160	1.3
119.08585	1.3
119.71352	0.6
133.10135	0.8
135.11694	1.0
136.49904	0.7
145.10146	0.8
147.11691	1.1
149.64714	0.7
444.94455	0.7
625.44739	1.0
643.25250	100.0
644.25458	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05539	0.6
67.05505	1.4
69.07109	0.3
69.24340	0.8
69.24754	2.6
71.01022	0.3
79.05554	1.1
81.07047	1.8
83.08677	0.4
91.05559	1.0
92.72757	0.3
93.07041	1.6
95.05019	0.6
95.08647	0.7
98.21510	0.7
105.07101	0.8
107.08650	0.7
109.06547	0.3
109.10249	0.5
117.07024	0.4
119.08624	0.7
121.10213	0.3
123.11766	0.4
125.09678	0.3
129.07016	0.4
131.08698	0.4
133.10229	0.5
145.10226	0.4
147.11766	0.5
151.11212	0.4
160.48149	0.3
179.14346	0.3
217.16016	0.3
253.69577	0.3
263.42926	0.3
273.18564	0.5
275.20230	0.5
276.20651	0.4
342.78781	0.3
387.46091	0.3
394.14038	0.3
396.12387	0.7
397.12857	1.4
398.13736	0.4
409.13031	0.4
410.13687	1.9
411.14539	4.5
412.15231	2.6
413.16098	0.9
423.14749	1.0
424.11456	1.2
424.15619	1.2
425.16098	7.6
426.16919	5.2
427.17538	1.2
428.18628	0.8
429.15289	0.4
437.16577	0.8
438.13327	1.6
438.18005	0.6
439.13327	7.1
439.19141	0.8
440.19244	2.8
441.19275	25.1
442.19485	1.7
451.18115	0.7
452.14423	2.4
453.15192	7.9
454.15860	2.9
457.14810	0.5
459.20374	0.4
463.14139	0.5
465.15466	0.5
466.16800	0.4
467.17157	18.7
468.17831	9.5
469.18762	10.7
470.19354	0.6
471.16705	0.3
472.17542	0.5
480.18030	0.7
481.14755	11.3
482.15518	3.6
485.18454	0.9
486.19415	0.5
495.16678	1.1
495.21262	0.4
496.17203	9.9
497.17957	2.0
498.18845	0.7
499.15060	0.5
499.20621	0.4
509.18143	1.7
512.20355	1.0
514.22418	0.6
522.17755	0.6
523.19635	1.2
524.20313	0.4
527.23767	1.6
540.19922	0.5
542.21576	1.0
555.22406	21.8
556.22565	1.1
568.19055	0.6
573.23273	0.3
583.21875	100.0
584.22168	8.0
587.24963	1.9
611.21167	0.9
614.23273	0.5
615.24469	8.1
616.24371	0.6
625.29340	0.6
625.43304	0.4
643.23804	16.5
644.23956	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01826	0.4
55.05466	0.8
67.05425	1.7
68.73245	0.3
69.07012	0.7
79.05408	1.4
81.06963	2.8
82.07323	0.4
83.08559	0.4
91.05390	1.4
93.06952	1.3
95.04887	0.6
95.08524	1.3
96.92099	0.4
97.06462	0.5
98.20800	0.6
102.67682	0.3
105.06925	1.5
107.08495	1.5
109.06420	0.8
109.10071	0.6
117.06963	0.9
119.08464	1.1
121.10082	0.5
131.08476	0.8
133.10042	0.9
135.11656	0.4
143.08493	0.5
145.10057	0.7
147.11581	0.6
157.10080	0.5
159.11668	0.7
173.13177	0.5
185.13211	0.4
250.59213	0.4
259.20596	0.8
275.19916	0.8
276.20535	0.5
291.19589	0.5
326.87189	0.4
396.12155	1.1
397.12970	2.1
398.13623	1.2
399.14551	0.5
409.13306	0.7
410.13776	2.3
411.14539	5.2
412.15268	3.4
413.15997	2.4
423.09946	0.5
423.14575	1.3
424.16098	2.3
425.16208	11.6
426.16830	7.7
427.17227	1.6
428.18951	1.6
437.16669	0.5
438.12363	3.6
439.13577	12.7
440.13550	0.8
440.19107	4.4
441.19275	34.3
442.19742	1.9
451.13663	0.6
452.14005	2.7
453.15305	15.3
454.15759	3.8
455.16620	0.7
456.14343	0.4
457.14954	0.6
463.13950	0.8
465.15253	0.5
466.12311	0.7
467.17123	23.8
468.17889	14.8
469.18820	11.1
470.19168	0.9
471.16608	1.2
472.16898	0.5
478.16531	0.5
479.17123	0.6
480.17874	0.7
481.14767	12.2
482.15332	3.4
485.18158	1.4
486.18674	1.0
494.17075	0.4
495.16846	1.8
496.17117	10.0
497.17807	1.8
498.18695	1.0
499.15845	1.1
500.17282	0.5
509.18408	2.0
510.19730	0.5
512.20532	1.1
514.22491	2.4
522.17578	0.6
523.19647	1.1
527.23553	2.8
528.23236	0.9
540.19958	0.7
542.21637	0.5
545.23682	0.5
555.22394	34.4
556.23126	2.5
568.19208	0.4
581.78558	0.4
583.21851	100.0
584.22119	8.5
586.20306	0.7
587.25092	2.0
611.21155	1.9
614.23712	1.2
615.24487	13.0
616.24872	1.0
625.43890	0.6
643.23883	48.1
644.24200	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	643.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03930	1.1
55.01860	1.9
55.05505	0.6
57.03423	1.2
58.47128	0.4
61.02936	0.6
65.03932	3.8
67.05508	2.3
68.99793	0.5
69.03403	1.9
70.06567	1.5
71.04976	0.4
73.02909	3.0
73.51071	0.4
74.69412	0.5
78.04693	3.3
79.01830	0.5
79.05490	4.7
79.78493	0.5
81.03418	2.2
81.07042	2.1
82.04191	1.6
83.04969	0.4
84.08101	0.8
85.02908	3.9
86.09686	1.2
89.03898	1.3
91.05483	6.8
93.03390	1.1
93.07043	2.8
95.04978	3.5
95.58973	0.4
96.45892	0.5
97.02898	1.3
97.06512	1.5
102.04653	0.5
103.05474	4.7
105.03407	0.6
105.07037	2.8
106.04163	2.1
107.04955	5.7
107.08578	1.0
108.02126	0.7
109.02882	1.4
109.06560	0.6
110.03641	1.8
111.04440	1.4
111.92174	0.4
115.05446	6.8
117.03365	0.5
117.07017	9.1
118.04180	1.0
119.04928	1.7
119.08591	2.1
120.08139	0.6
121.02918	0.6
121.06519	3.6
121.10143	0.9
122.03614	1.1
123.03576	0.7
123.04423	9.8
124.05217	3.7
125.05987	1.7
127.05464	0.6
128.06216	0.6
129.07054	0.7
130.04114	1.3
131.04938	5.5
132.05688	1.9
133.02922	1.0
133.06444	1.4
134.03593	0.9
135.04393	1.7
137.02336	0.9
137.05963	4.8
138.03116	1.7
139.03859	0.8
140.04608	0.8
142.02611	1.3
143.04901	1.1
144.05638	1.0
145.02832	2.0
145.06483	14.8
145.07629	0.8
147.04405	2.3
147.08052	1.5
148.05130	1.7
149.06013	3.5
151.03893	2.0
151.07573	1.3
152.04671	2.4
153.01810	1.4
153.05492	1.6
155.05983	3.7
155.07018	0.5
159.04417	1.2
160.05182	1.3
161.05992	3.6
162.06766	0.6
163.03929	2.0
163.07549	2.1
165.05492	2.0
167.07034	100.0
168.07379	1.6
169.04956	0.7
171.06525	3.5
173.05981	20.7
174.06575	0.8
175.03876	1.1
175.07509	1.8
176.04706	0.7
177.05438	7.6
178.05940	1.6
179.07068	1.3
180.07816	0.7
181.04945	52.4
181.08505	1.8
182.05339	1.0
185.08067	0.9
189.05426	1.3
191.07034	8.5
191.08629	0.9
192.07701	2.3
193.04927	0.6
193.08626	1.6
195.06549	1.7
201.05539	1.4
203.07039	1.5
205.08588	5.4
207.06479	2.6
207.10147	0.5
209.08080	4.0
217.04997	1.7
217.08636	1.1
219.06471	0.8
219.10207	1.1
221.08051	0.7
225.07535	0.9
225.10371	0.5
229.04977	0.8
231.06381	0.9
233.08073	7.0
235.07523	0.9
235.09669	6.9
245.04480	2.2
250.06319	0.6
251.06990	0.7
257.04483	0.7
263.06775	0.6
263.09198	1.9
265.08801	0.6
273.03937	2.1
274.04645	0.5
279.06366	0.7
283.06201	0.6
283.14395	1.7
283.56772	0.5
285.04074	0.9
291.06650	0.6
292.07230	0.7
293.08218	1.0
296.30603	0.5
297.11188	1.0
301.03387	2.0
302.04260	2.4
303.05066	2.1
311.05292	0.6
315.05057	2.1
317.06540	2.6
318.87173	0.5
325.10849	1.3
326.11292	0.7
327.04980	1.3
339.04956	0.7
339.12756	0.5
353.10327	1.5
357.13394	6.3
381.13065	0.5
385.12796	28.5
386.13327	0.8
387.14371	7.5
399.14383	1.6
415.13458	0.8
417.15414	17.5
418.15833	0.8
461.08728	1.6
481.11362	2.2
493.11166	1.0
511.12366	16.9
512.12726	1.7
577.20703	0.7
643.23767	27.1
643.33508	1.4
644.24066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
54.50013	0.3
55.01856	1.2
55.05521	0.6
61.02897	0.5
65.03938	3.3
67.05499	2.0
69.03408	1.3
70.06588	2.9
70.53604	0.4
71.04994	0.7
71.58224	0.6
72.08139	0.8
74.49243	0.4
74.89980	0.4
78.04705	3.3
79.05502	2.7
80.91873	0.4
81.03408	1.4
81.07030	1.0
82.04178	0.9
82.08768	0.4
84.08131	1.1
85.02912	2.7
86.09696	1.3
88.91987	0.4
89.03874	0.9
91.05484	4.4
93.03389	0.8
93.07036	1.9
95.04969	3.3
96.05731	0.4
97.02890	0.8
97.06509	1.1
102.04649	0.4
103.05476	4.0
105.03381	0.8
105.04512	0.5
105.06994	1.4
106.04140	1.4
107.04954	3.7
108.02103	0.6
109.06510	0.8
110.03646	1.1
111.04420	1.4
115.05451	5.8
115.44451	0.3
117.03382	0.7
117.07013	9.5
119.04926	0.8
119.08582	1.1
121.02885	0.6
121.06512	2.3
121.10114	0.7
122.03667	0.5
122.83245	0.4
123.04434	8.0
124.05203	3.6
125.05990	1.1
127.03888	0.5
127.05447	1.5
129.06996	0.7
129.10220	0.4
131.04924	2.0
132.05684	0.5
133.06476	1.0
134.03616	0.6
135.04404	1.0
137.02319	0.7
137.05949	2.9
138.03136	0.6
140.04704	0.7
140.29091	0.4
142.02600	0.8
143.04935	0.8
144.05724	0.7
145.02812	1.1
145.06485	14.5
147.04427	1.3
147.08008	1.3
147.11679	0.5
148.05212	0.8
149.05988	3.1
149.09663	0.5
151.03912	2.3
151.07497	1.2
152.04654	2.2
153.01804	1.3
153.05450	1.4
155.04919	0.6
155.06033	3.3
155.07071	0.6
159.04451	1.0
159.09180	0.8
160.05199	0.9
161.05984	1.4
163.03925	1.1
163.07545	0.9
165.05461	1.2
167.07036	100.0
168.07373	1.2
171.04402	0.4
171.06526	3.3
172.05176	0.5
173.05981	20.2
174.06592	0.6
175.07539	1.5
176.04721	0.4
177.05489	5.2
181.04950	46.9
181.08505	1.3
182.05348	0.7
187.03854	0.4
189.05504	0.5
191.07065	4.5
193.08557	0.5
195.06538	0.9
201.05542	0.9
203.07005	2.4
205.06783	0.8
205.08585	6.4
207.06563	1.0
207.10217	0.5
209.08073	3.8
217.08603	0.4
219.06488	1.3
221.07922	0.7
231.06459	0.8
233.08072	6.8
234.08665	0.5
235.07471	0.9
235.09612	6.4
237.09166	0.4
239.07083	0.5
249.05565	0.5
250.06161	0.6
251.07205	0.5
264.07675	0.8
265.08667	1.1
267.06659	0.5
279.09918	0.4
280.07355	0.5
281.08115	0.7
285.17014	1.3
293.08084	0.8
295.06238	0.6
295.09503	0.6
297.11081	0.9
303.04950	1.2
310.08420	1.1
315.04993	0.9
323.09009	0.6
325.10803	1.6
326.11465	0.8
329.13828	0.9
341.06729	0.5
342.10846	0.6
353.10269	1.0
357.13318	7.1
371.14984	0.5
385.12805	37.8
386.13419	1.5
387.14322	6.7
399.14514	0.8
417.15433	14.0
418.16055	0.6
481.11365	0.9
497.11179	0.6
642.06793	0.4
643.23810	34.3
644.24127	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01860	3.6
55.05508	1.1
57.03424	1.1
61.13202	1.0
62.28004	0.8
65.03946	5.5
67.05504	5.3
69.03430	5.1
70.06567	1.1
71.01347	1.8
71.04971	2.8
71.57848	1.5
72.04533	1.1
72.08178	1.3
73.02888	1.7
78.04655	1.0
79.05493	6.9
81.03413	6.1
81.07063	4.0
82.04190	2.1
83.04974	2.3
84.04485	2.3
84.08112	1.9
84.36204	0.9
85.02901	6.9
91.05473	10.1
93.03416	1.3
93.07029	5.9
95.04959	7.3
95.08602	1.2
97.02882	3.2
97.06527	2.1
103.05462	17.4
105.03363	2.6
105.07026	8.7
106.72544	1.1
107.04947	11.1
108.02091	1.5
109.02839	1.2
109.06513	2.9
109.10164	1.1
110.03652	2.9
111.04436	3.8
115.03925	1.2
115.05411	7.1
117.07036	5.7
118.04153	5.3
119.04914	4.0
119.08578	5.2
121.06503	2.2
121.10138	3.1
123.04438	6.9
124.05202	3.4
125.05994	4.1
127.03908	1.1
128.06291	1.3
129.05505	1.3
129.06956	3.0
130.04140	2.4
131.04924	16.0
131.08575	2.2
132.05698	1.5
133.02876	3.1
133.06477	8.8
135.04424	1.4
135.08055	2.4
136.05225	1.4
136.06190	1.3
137.05974	9.1
138.03081	1.9
141.06998	1.7
142.02634	1.2
143.04971	1.7
144.05673	1.7
145.06488	6.8
146.03616	1.8
147.04439	2.4
147.08029	3.6
147.11688	1.1
148.05176	9.6
149.05980	2.6
149.09613	1.2
151.03865	3.8
151.07547	3.5
151.65585	0.9
152.04659	1.7
153.05476	5.9
155.07106	1.9
157.06369	1.5
159.08075	2.0
160.05202	1.3
161.05971	7.2
163.03877	1.4
163.07545	19.5
165.05472	6.1
165.06737	1.2
167.07036	60.4
168.07426	1.2
171.06552	5.4
173.05957	8.5
175.03873	1.2
175.07491	3.0
176.04703	1.5
176.64703	1.2
177.05457	5.2
179.07011	2.0
180.07759	1.3
181.04947	100.0
182.05322	1.3
187.07527	4.3
189.05421	1.4
190.06207	2.0
191.07024	89.9
193.04976	4.6
193.08595	2.0
195.06488	2.7
201.05461	2.0
203.07007	3.0
204.08644	1.2
204.66132	0.9
205.08615	4.9
207.06410	7.3
207.08066	0.9
207.10066	1.8
208.07283	4.3
209.08025	3.7
217.08621	3.4
219.10011	5.7
221.08095	2.9
225.07573	10.1
226.08276	3.1
229.08487	1.2
233.08052	7.8
235.07530	1.4
235.09683	6.0
241.37125	1.0
263.06647	1.1
263.09161	14.8
264.07718	1.6
265.08655	1.4
267.10196	3.1
272.56851	1.0
281.08994	1.3
283.10129	1.0
295.09750	1.5
297.11414	1.4
307.09738	1.4
309.07520	1.1
309.11099	1.2
323.09589	1.2
325.11368	6.6
329.10150	1.7
337.10788	1.7
351.09686	1.9
357.13312	6.6
359.14560	1.5
367.11893	2.1
369.10748	2.0
371.15228	1.6
381.13385	1.5
385.12939	8.5
387.14395	2.0
399.14691	1.8
417.15326	9.4
449.25092	2.1
625.28265	2.3
643.29523	16.8
643.45557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01865	1.0
57.03432	3.3
61.02913	1.9
65.03928	1.2
67.05498	1.2
68.99782	0.7
69.03412	1.1
69.07034	0.8
70.06578	2.1
72.08143	1.2
73.02916	8.8
78.04697	0.9
79.05490	2.4
81.03409	0.7
81.07045	2.4
83.04996	0.7
83.08579	0.5
84.04503	1.3
84.08123	1.1
85.02895	2.4
85.32542	0.4
86.09701	1.7
89.03893	0.8
90.81458	0.5
91.05478	3.3
93.03433	0.7
93.07030	2.8
95.01323	0.5
95.04951	1.7
95.08595	0.8
97.02889	1.6
102.04610	0.5
103.05450	3.9
104.06227	1.9
105.03383	0.7
105.07036	4.9
107.04962	2.9
107.08579	1.0
107.20135	0.4
109.02856	0.5
109.06484	0.7
109.10146	0.6
115.03919	1.0
115.05431	2.1
117.03378	0.6
117.07019	1.5
118.04145	1.3
119.04943	1.4
119.08566	2.2
121.02879	0.8
121.06501	1.8
121.10152	1.1
123.04430	1.9
124.05217	0.6
130.04120	1.3
131.04921	10.5
131.08565	0.6
132.05711	9.5
133.02855	1.3
133.06520	3.3
133.10135	0.7
134.03603	0.5
135.04407	1.5
135.08064	0.5
136.06146	0.6
137.02344	1.2
137.05980	2.5
140.04720	1.0
143.04958	0.7
143.06055	0.5
145.02844	1.0
145.06461	1.6
146.03621	2.9
147.04411	2.8
147.08011	0.6
148.05122	0.9
149.05997	3.2
151.03886	1.0
152.04718	0.6
153.01825	7.1
153.05515	0.8
154.06284	0.5
155.04977	0.7
155.07069	0.8
159.04303	0.6
159.08003	0.5
159.11592	0.5
160.05205	3.5
161.05969	9.7
162.06740	2.2
163.03909	1.5
163.07515	1.1
165.01822	0.6
165.05453	1.4
166.06293	0.6
167.07039	18.7
171.06464	0.5
173.05951	2.7
175.03954	1.0
175.07611	0.9
176.04741	1.1
177.05452	5.9
178.06245	2.2
179.03421	1.7
179.07014	1.1
180.07887	1.8
181.04947	9.3
181.08646	1.1
182.05301	1.2
182.09387	1.0
187.04024	0.7
189.05446	1.2
191.07004	4.3
192.07806	8.7
199.03902	0.7
201.05478	1.3
203.03487	0.8
203.07115	0.5
207.06584	1.6
213.05478	0.6
217.04964	8.3
229.04921	2.5
230.05727	0.5
231.02849	0.8
233.08174	0.9
235.09578	1.1
237.05492	1.0
245.04480	8.9
253.04895	0.8
257.04453	2.1
263.09195	0.6
269.04523	0.9
273.03949	13.6
274.04739	0.8
285.03851	3.2
286.04779	0.8
301.03458	10.6
302.04218	2.7
303.04886	2.7
307.06210	0.6
311.05487	1.8
313.03354	1.9
315.04980	2.5
317.06799	0.9
327.04956	4.4
339.04880	4.1
343.04623	0.6
345.07596	0.8
357.05978	3.3
373.07138	0.6
385.12747	1.2
387.14209	1.6
401.06570	0.7
417.15540	3.1
418.06778	1.5
429.05933	0.8
443.07605	0.6
446.06149	1.3
461.08627	9.6
478.09143	0.6
481.11508	1.8
493.11395	5.4
511.12360	100.0
512.12524	2.0
643.23511	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05674	0.6
51.28925	0.6
55.01862	2.1
57.03431	0.9
61.02928	5.4
61.61975	0.6
62.33447	0.6
65.03931	1.0
67.05495	1.8
68.73685	0.6
68.99776	0.9
69.03417	2.9
70.06586	4.2
71.04983	1.6
71.58268	0.7
72.08167	0.7
73.02901	2.6
78.04716	0.6
79.05481	2.2
80.75359	0.6
81.03419	1.4
81.07042	1.2
83.05000	0.8
84.04496	0.8
84.08131	1.9
84.16576	0.6
85.02901	6.0
86.09698	2.2
89.03899	1.0
91.03952	2.5
91.05489	5.4
93.07056	2.5
95.04951	2.4
97.02879	4.1
102.04656	2.8
103.05462	3.3
105.03356	1.0
105.07018	3.0
107.04948	2.3
107.08578	0.7
109.02840	0.9
109.06441	0.8
109.10133	0.7
110.03664	0.9
111.04433	1.1
115.05439	1.1
117.03307	0.8
117.06993	2.4
119.04954	3.6
119.08562	1.2
120.08079	0.8
121.02792	1.0
121.06492	1.8
121.10152	1.0
122.04861	0.7
123.04432	3.0
124.05183	1.9
127.03937	1.1
129.06978	0.6
130.04129	8.2
130.04990	1.0
131.04930	8.0
132.05710	2.7
133.02870	3.2
133.06477	1.4
133.10141	0.8
135.04404	1.7
136.05193	1.4
137.02298	0.7
137.05972	7.9
140.23103	0.7
145.02824	1.2
145.05049	0.6
145.06468	3.5
146.03598	1.2
147.04413	10.3
147.08006	1.0
148.05205	3.7
149.05965	3.2
150.06712	1.3
151.03847	0.9
151.07504	1.4
153.01807	10.3
153.05463	1.7
161.05969	3.0
162.06740	10.5
163.03889	1.2
163.07559	1.3
165.01807	1.3
165.05478	0.7
167.07030	24.7
169.04970	2.1
173.05954	5.0
175.03899	0.9
175.07521	0.8
177.05473	4.3
179.03412	1.6
181.04947	12.3
181.08406	0.8
184.07253	0.8
185.08072	1.3
187.03888	0.6
189.05521	0.8
191.07042	3.2
192.07794	1.0
193.06633	0.7
193.08543	0.6
195.06580	0.9
201.05463	1.4
203.03360	1.1
205.08450	1.4
207.06578	0.8
209.08096	1.4
217.04971	8.6
221.06116	1.4
221.07986	0.8
229.04987	4.2
231.02849	1.2
233.08110	2.3
235.09573	1.1
237.05312	1.3
238.06223	2.0
245.04401	8.1
245.06371	0.8
249.05452	1.3
250.06384	1.1
251.07008	0.8
255.06566	0.9
257.04431	2.2
263.09341	0.8
269.04541	1.4
271.05954	0.7
273.03918	11.5
277.05038	1.4
283.05997	1.2
285.03848	6.3
286.04593	0.7
287.05515	1.5
301.03394	10.1
302.04047	3.9
303.04959	4.2
311.05573	2.2
313.03439	2.4
315.05005	1.4
327.04919	3.6
339.04996	6.0
349.12860	0.8
357.06335	2.2
357.12933	1.2
375.08572	1.1
385.07629	1.0
385.12778	4.0
387.14435	2.5
403.08063	1.8
417.15445	8.0
431.07599	9.0
436.30630	1.1
437.30222	0.6
451.09946	3.2
461.08466	0.8
463.10306	4.6
481.11264	100.0
482.11880	3.2
497.10840	2.4
509.70813	0.8
511.12329	6.9
515.18066	0.8
543.03955	0.7
613.55768	0.7
642.38324	0.8
643.23596	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	642.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22962	2.2
52.00377	2.2
53.03942	4.7
55.01860	5.2
55.05510	12.9
57.03419	4.2
57.07032	2.1
65.34728	2.5
67.05501	30.7
68.05822	2.8
69.07061	12.8
70.07378	3.4
79.05493	25.6
81.03413	5.2
81.07048	38.7
82.07398	3.5
83.04974	3.7
83.08604	3.0
85.02893	3.4
91.05478	28.7
92.05824	3.4
93.07035	24.1
94.07371	3.3
95.04959	9.8
95.08614	18.5
95.85902	2.4
97.02905	2.2
97.06544	7.3
97.10150	4.1
105.05859	2.2
105.07028	30.9
107.04944	6.3
107.08607	15.8
109.06511	8.6
109.10156	6.9
113.04752	2.1
113.05929	3.4
117.06994	8.6
119.08568	19.8
120.08891	4.1
121.10125	14.3
123.08109	3.5
123.11654	3.1
128.06108	2.6
129.06989	10.5
130.07677	2.3
131.08548	19.8
132.08905	2.4
133.10106	14.3
135.11720	3.6
143.08540	8.7
145.10135	9.8
147.11685	6.9
149.09624	5.7
149.13275	3.3
154.41669	2.3
155.08565	7.4
157.10117	9.1
159.11687	7.8
161.13219	3.3
169.10118	4.7
171.11707	4.9
173.13268	3.9
183.11661	2.7
187.14848	2.6
197.13136	2.9
209.13226	2.5
210.26248	2.3
211.14815	2.7
275.20065	10.2
276.20364	8.9
316.22369	3.0
325.25391	3.0
331.13620	2.4
350.24274	2.8
353.24728	5.9
371.25705	6.1
389.26907	5.4
406.13232	2.6
445.29526	100.0
463.30502	22.8
585.89941	3.5
624.42920	4.9
642.29468	23.4
642.43262	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	642.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.5
53.91207	5.2
55.01857	15.5
55.05504	31.9
57.03438	10.4
57.07064	5.9
63.81794	5.2
66.24026	6.7
66.79358	5.6
67.05500	84.2
68.05830	8.9
69.03413	8.5
69.07066	31.0
69.85224	40.9
70.06575	7.2
71.04976	10.3
72.35026	5.2
77.00103	5.5
79.05487	72.4
80.05834	7.8
81.03392	13.4
81.07053	94.6
82.07367	11.5
83.04958	15.6
83.08603	13.7
91.05484	82.6
92.05805	8.3
93.07044	78.8
94.07394	11.1
95.04958	28.6
95.08586	56.5
96.03348	6.1
96.08898	8.2
97.06528	21.2
97.10183	12.0
98.06882	6.1
99.08033	5.7
105.07034	69.1
106.07336	7.7
107.04937	11.3
107.08614	44.4
108.08969	7.6
109.02795	7.7
109.06517	23.2
109.10149	17.9
111.08073	7.6
117.07008	30.8
119.08595	54.6
120.08895	10.2
121.06477	16.1
121.10134	28.6
123.07999	9.3
129.06935	15.8
131.08560	47.8
133.06496	8.0
133.10132	27.8
134.10460	9.5
135.08076	6.6
135.11713	13.3
137.09598	9.5
141.06993	9.3
143.08580	13.4
145.10120	33.7
146.10440	12.6
147.11687	18.9
149.09608	26.0
149.13272	9.4
150.09996	7.9
155.08537	11.0
157.10095	13.8
159.08084	8.3
159.11674	17.4
161.13245	8.5
163.11172	9.8
169.10168	10.6
171.11720	13.2
173.13333	10.6
180.21317	6.0
183.11723	11.9
184.07315	6.6
185.13219	9.7
187.14853	9.5
189.11211	6.7
195.11652	5.8
199.14767	7.1
199.86896	5.8
201.98558	5.9
257.19061	9.3
259.20477	11.3
275.20013	49.8
276.20496	34.1
291.86386	6.2
292.19070	9.1
293.20947	7.4
300.06064	7.0
350.24149	13.5
389.26776	14.8
445.29572	100.0
463.30499	24.0
521.20001	6.2
544.36621	7.6
591.64038	6.6
624.43512	18.8
642.29370	10.2
642.43787	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33735	0.7
53.03940	3.7
55.01860	1.8
55.05502	3.1
57.03429	4.1
57.07056	0.8
61.02920	1.6
65.03931	0.7
67.05491	2.1
67.59004	0.6
69.03078	1.1
69.03425	15.5
69.07077	1.0
69.80766	0.7
69.89558	4.3
70.06595	4.2
71.04991	2.3
71.42963	0.7
72.08154	1.6
73.02914	2.1
74.35880	0.7
75.04482	4.2
79.05489	18.9
81.03415	15.8
81.07059	5.6
83.04980	1.8
84.04488	0.9
84.08131	3.1
85.02902	11.1
86.09677	1.4
87.04462	1.2
88.25514	0.7
89.03905	1.6
91.05470	18.8
93.07039	86.3
94.07388	1.3
95.04973	7.7
95.08629	3.3
97.02891	12.0
97.06492	0.8
98.20822	0.8
99.04453	2.9
103.05460	2.8
103.76809	0.8
105.07029	11.3
107.04966	3.5
107.08588	13.9
109.02875	6.3
109.06552	1.2
109.10126	0.9
110.07088	0.8
111.04433	2.3
111.08088	3.3
114.63110	0.6
115.05412	1.0
117.03371	4.6
117.07005	3.4
118.03590	0.7
119.04930	3.1
119.08574	30.7
120.04467	1.3
120.08124	1.4
121.06490	2.2
121.10136	100.0
122.10502	1.0
123.04478	1.0
123.08040	2.1
123.11703	1.8
127.03920	6.0
129.05467	2.7
129.07037	1.5
129.10144	0.9
131.04906	1.2
131.08574	7.7
133.06494	3.9
133.07410	0.8
133.10126	2.2
135.08043	0.9
135.11740	0.9
137.05957	2.1
139.11160	3.6
143.08572	1.0
145.02858	8.2
145.04948	3.2
145.06456	2.4
145.10071	1.6
146.03189	3.1
147.04405	15.1
147.08049	1.6
149.05962	2.4
149.09610	37.8
157.10048	1.1
159.04434	1.1
161.06117	1.2
161.09676	0.9
163.06100	0.7
163.11186	1.2
165.05466	1.2
165.09081	1.5
167.07063	7.7
167.10667	32.0
169.10130	0.9
173.05994	1.7
175.07594	1.3
177.05463	19.3
177.09038	0.9
178.05786	7.5
179.07109	0.9
181.04958	3.7
183.13724	0.9
187.11179	1.0
189.09177	0.9
191.06967	1.3
197.05960	0.8
207.06497	1.5
219.10120	1.0
233.08122	1.2
234.08926	0.9
239.10767	0.9
275.12732	1.4
281.13855	0.8
283.15506	2.7
293.13852	11.0
295.13324	1.1
303.04828	3.4
304.05423	2.5
311.14893	28.5
313.14310	0.9
315.05017	0.7
321.09750	0.8
322.10098	1.0
385.12811	1.5
387.14227	0.8
428.02240	0.8
435.00940	0.8
439.17349	0.8
457.18427	3.0
479.70160	0.8
642.27649	1.3
643.24042	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53018	1.7
53.03929	6.0
53.73158	1.4
55.01673	1.5
55.01879	16.3
55.05264	3.0
55.05511	36.8
57.03432	7.3
57.07053	3.2
60.21187	1.5
64.64539	1.6
65.03934	4.7
67.05506	89.4
69.03432	3.7
69.07067	43.0
70.29554	3.5
70.29947	2.4
71.04977	6.4
79.05492	65.0
81.03407	7.6
81.07056	100.0
83.04984	9.2
83.08616	13.4
85.06531	5.2
91.05478	67.0
93.07045	64.1
95.04971	16.2
95.08604	65.2
95.09053	1.4
97.06544	23.4
97.10182	12.9
98.21546	1.5
99.08082	2.5
102.55062	1.5
103.05481	3.4
105.07030	67.5
105.83285	1.5
107.04932	11.4
107.07872	2.1
107.08598	40.7
109.06537	10.6
109.10161	28.3
111.08057	4.6
113.09605	1.8
117.07018	22.5
119.08575	50.4
121.06499	5.7
121.10139	29.3
123.08049	9.9
123.11703	12.1
125.09653	9.7
127.07620	1.9
128.06190	3.9
129.05472	2.1
129.06993	13.3
131.08565	34.8
133.06493	2.3
133.10126	37.3
135.08038	7.2
135.11690	17.3
137.09628	5.5
137.13268	2.9
139.11171	2.0
141.07016	4.7
142.07748	2.2
143.08546	12.4
145.06483	2.8
145.10130	25.0
147.08098	1.7
147.11696	30.2
149.09633	12.0
149.13258	7.2
151.11156	4.8
153.09071	1.8
155.08549	7.0
157.10127	11.1
159.11665	22.7
161.09610	5.1
161.13269	10.2
162.88873	1.8
163.11171	6.3
163.14891	2.5
165.12735	5.6
167.08551	2.4
169.10106	8.1
171.11710	12.0
173.13229	12.7
175.11227	3.2
175.14833	3.2
177.12819	3.4
179.14284	3.3
182.11017	1.5
183.11714	9.7
183.60498	1.9
185.13281	5.4
187.11133	3.1
187.14810	6.6
189.11188	3.5
197.13220	8.8
199.14789	4.4
201.16319	3.6
207.11592	1.5
209.13208	3.1
211.14899	3.6
213.16269	2.3
215.17909	3.9
225.16385	2.9
227.12816	4.8
229.19576	2.5
239.17932	4.0
241.19537	2.3
247.20560	4.2
257.18921	10.8
259.20660	3.2
263.20151	2.1
273.49203	1.7
275.20059	54.8
289.21640	7.7
291.19589	9.2
293.21152	4.0
297.22165	1.6
307.22754	4.2
333.24246	2.5
335.25851	25.3
349.23676	11.8
358.04840	1.7
363.25168	4.0
365.23248	2.4
431.31577	6.3
517.40326	1.6
529.38470	1.8
553.10754	1.9
581.27393	7.0
623.43121	12.1
641.47900	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	641.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.01871	39.7
55.05508	49.9
57.03429	7.3
57.07076	3.1
59.05008	2.1
61.10923	1.9
65.03933	5.8
67.05503	87.4
68.00071	2.0
69.03414	5.5
69.06729	2.4
69.07066	41.6
70.25986	6.1
71.04979	7.6
76.49125	1.8
79.05489	85.3
80.05816	2.2
81.03404	6.0
81.07055	81.4
83.04978	9.6
83.08605	19.8
85.06536	4.6
91.05476	73.5
93.06475	3.8
93.07039	64.6
93.07630	3.4
95.04974	20.5
95.08603	48.2
97.06527	39.4
97.10176	21.0
97.45187	1.7
98.20676	2.3
103.05444	2.8
105.04542	1.9
105.07030	68.1
107.04944	26.0
107.08588	62.3
109.06522	14.2
109.10150	30.3
111.04422	3.3
111.08086	6.3
113.09629	2.5
115.05445	2.9
117.07020	29.6
119.07803	3.0
119.08579	46.1
121.06510	8.7
121.10130	24.3
123.08054	8.0
123.11726	9.2
125.09638	18.6
128.06229	3.3
128.82646	1.7
129.06999	17.7
131.08569	40.6
133.06483	4.4
133.10133	38.8
135.08060	7.4
135.11682	12.5
137.09633	3.8
139.11192	2.5
141.06999	9.5
142.07837	4.1
143.08551	16.0
145.06476	2.3
145.09058	2.8
145.10121	32.1
147.08047	5.0
147.11693	28.5
149.09616	34.1
149.13199	4.5
151.11165	6.2
153.88425	2.0
153.89690	2.1
154.07744	2.7
155.08525	8.4
157.10147	14.9
159.08076	3.2
159.11688	19.6
161.09688	4.1
161.13264	12.4
163.11136	11.8
167.08554	3.6
169.10133	10.5
171.11641	11.6
173.09612	3.7
173.11830	4.0
173.13255	11.1
175.11154	3.1
175.14877	3.6
177.12756	6.8
179.14311	5.2
180.09311	2.1
181.10121	4.4
181.12195	2.8
183.11644	11.0
185.13268	7.2
187.11159	4.5
187.13190	2.1
187.14781	4.7
189.11223	12.4
189.12756	3.5
195.11711	4.5
197.13309	9.4
199.14781	2.7
201.12737	3.0
201.16251	2.2
209.13242	4.3
211.14818	5.8
213.16396	6.8
215.14319	2.6
215.17999	2.5
227.12755	16.7
227.17912	4.7
229.19470	7.5
239.17970	5.4
247.20462	5.1
257.19052	13.1
273.18442	5.3
275.20068	100.0
289.33630	1.8
291.19473	4.2
293.21170	11.1
325.15555	1.8
331.23004	2.3
349.19778	2.7
349.23758	39.2
407.22000	1.8
433.20462	2.3
434.20654	2.5
435.21753	3.3
437.30371	2.2
459.19153	2.0
495.24045	2.3
507.23746	4.4
511.34485	2.2
527.37640	2.4
529.35004	6.6
531.38068	4.8
535.23114	7.7
549.39545	4.2
581.27161	7.0
595.25256	7.0
605.41431	4.4
623.43024	30.6
641.29395	32.3
641.43829	27.6
642.30084	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01869	8.9
55.05506	19.5
57.03432	29.8
57.07069	3.9
58.73549	1.1
65.03938	2.7
67.05501	51.3
67.51700	1.1
68.05842	1.5
69.03423	2.4
69.07066	11.9
70.24657	4.3
71.04989	4.0
77.03960	1.5
79.05489	32.6
81.03407	4.6
81.06306	1.5
81.07050	40.2
83.04977	4.4
83.08615	5.5
85.02930	1.3
85.06540	24.8
91.05476	36.5
91.06015	2.3
93.07036	34.7
95.04962	37.1
95.08603	24.2
95.76976	1.2
97.06520	7.7
97.10177	4.3
98.20916	1.4
99.08080	2.8
103.05467	1.3
105.07027	34.8
107.04948	8.1
107.08585	19.2
109.06513	22.4
109.10143	7.3
110.10493	1.2
111.08097	3.1
113.05999	100.0
115.05457	2.9
117.07012	15.4
119.08573	25.9
121.06512	4.6
121.10136	13.4
123.08051	6.6
123.11685	2.8
125.09611	2.8
128.06241	3.7
129.06970	10.7
130.07779	1.6
131.08559	24.0
133.06476	2.9
133.10106	16.4
135.08049	17.3
135.11673	7.8
137.09662	1.5
141.06964	4.5
141.09114	2.0
142.07765	2.9
143.08556	10.9
145.06516	2.9
145.10112	18.6
146.10416	1.3
147.08057	4.4
147.11700	10.7
149.09599	6.8
149.13254	3.8
154.43498	1.1
155.08557	4.9
156.09306	1.6
157.10114	10.6
159.08093	2.7
159.11673	14.9
161.09639	3.8
161.13229	6.5
163.11227	3.3
165.09164	1.6
165.12701	1.5
167.08528	2.5
169.10126	8.0
171.11697	10.2
173.09758	1.4
173.13219	8.1
175.11176	2.2
175.14865	3.1
177.12714	3.5
179.08560	1.6
179.14291	1.9
181.10107	4.4
183.11673	7.7
185.09712	1.4
185.13191	6.0
187.11186	2.4
187.14827	3.2
189.12958	1.4
193.10138	2.6
195.11681	3.6
195.13805	1.5
197.13281	4.7
199.11223	1.6
199.14856	4.3
201.12802	2.3
201.16359	1.5
206.10947	1.4
207.11748	3.3
209.13307	2.9
211.14848	4.0
213.16426	2.9
217.15909	3.2
221.13271	2.2
221.15332	1.6
223.14784	2.2
229.19673	1.6
237.16370	2.2
239.17938	2.0
241.14247	1.6
241.19446	6.5
247.20802	1.4
253.15869	1.3
257.18909	5.4
259.20547	8.3
273.18625	7.9
273.21481	1.8
275.20081	11.2
279.15799	7.4
291.19501	23.5
292.20010	1.5
293.21130	1.5
296.82257	1.2
327.26773	2.0
331.22531	2.0
333.24298	8.3
339.10062	1.8
347.22266	2.1
349.23868	3.4
353.24814	1.4
365.23349	5.5
419.19534	1.3
421.31088	2.4
433.20541	1.3
437.34259	2.1
461.19766	3.3
462.20532	2.2
495.34402	1.3
511.38193	1.9
513.36462	4.8
521.24878	1.2
529.38873	2.6
531.38361	4.1
549.39075	3.3
551.37256	2.1
563.26154	1.6
565.38684	1.3
569.37958	2.1
581.27661	5.6
605.41736	4.4
623.28070	1.5
623.43054	26.6
641.29419	34.7
641.43646	17.8
642.29742	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	641.441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56998	2.9
52.55640	3.1
53.03939	8.9
55.01857	14.9
55.05266	4.9
55.05511	63.8
57.03433	9.6
59.04986	3.4
65.03959	5.5
66.73151	3.3
67.05505	100.0
69.03409	9.5
69.07068	54.5
69.37688	26.4
69.38106	8.1
71.04986	7.8
79.05493	89.6
81.03426	5.9
81.07058	91.7
83.04986	12.0
83.08624	27.9
85.06541	5.3
91.04973	5.1
91.05491	71.8
93.07047	77.9
95.04955	25.4
95.08608	50.9
97.02907	8.4
97.06547	21.8
97.10163	24.4
98.21542	6.4
99.08063	7.2
105.07031	77.6
107.04945	18.4
107.08588	54.0
109.01476	3.3
109.06509	13.5
109.10136	23.3
111.08038	7.3
115.05397	5.6
117.07027	33.4
119.08575	67.1
121.06496	6.3
121.10146	32.8
123.08066	10.0
123.11711	8.9
125.09617	19.1
128.06195	4.5
129.07039	21.2
129.62024	3.5
130.07736	4.1
131.08571	43.5
133.06516	6.5
133.10127	47.9
135.08017	11.0
135.11676	14.1
137.09592	7.9
141.07004	10.8
142.07826	3.7
143.08617	17.6
145.06474	6.8
145.10123	41.6
146.33990	3.7
147.08037	5.6
147.11678	31.9
149.09624	15.0
149.13255	12.4
151.11177	6.8
155.08554	11.7
157.10173	20.7
159.11668	23.1
161.09668	5.6
161.13260	19.8
163.11191	13.0
163.14861	5.6
167.08540	7.6
169.10147	16.3
171.11674	21.0
173.13290	18.9
175.11168	9.7
175.14870	7.0
177.12741	5.4
179.08609	4.9
179.14468	4.9
181.10179	6.0
183.11682	12.6
185.13309	12.9
187.11269	5.1
187.14827	5.2
189.11259	13.2
189.16388	3.7
195.11702	5.8
195.13811	3.5
197.13272	10.6
199.14926	6.9
207.11696	4.2
209.13268	9.4
211.14783	5.0
213.16455	6.3
223.13310	10.8
225.16557	3.9
227.12785	15.3
233.13295	4.6
239.17908	5.1
241.19516	12.2
247.20685	3.4
251.17940	3.7
257.19000	13.2
259.20636	31.4
273.18546	9.9
275.20065	54.3
285.22031	5.4
289.18173	4.2
291.16528	4.4
291.19559	50.5
315.23199	3.2
333.24347	20.1
349.23718	14.0
365.23328	20.5
377.28061	3.7
379.30264	7.8
381.27759	5.1
475.21393	4.2
477.22662	9.6
487.24615	5.1
511.33786	7.4
513.36951	5.4
529.36090	5.4
531.37927	8.9
545.25470	6.5
547.27032	15.3
549.24677	11.4
549.39099	7.9
550.25397	8.7
591.25818	6.3
605.27319	11.1
605.41919	11.2
623.28442	46.7
623.43079	52.8
624.29095	6.0
641.44446	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.7
53.03936	5.7
55.01872	29.2
55.05265	2.6
55.05509	39.4
57.03436	9.4
57.07081	4.0
57.08975	1.6
57.36883	1.8
59.05000	2.6
65.03934	6.2
67.05502	70.5
69.03415	5.6
69.07065	34.6
69.38579	7.4
69.39010	7.4
70.36460	1.9
71.04986	6.4
71.08627	1.8
79.05491	72.2
81.03416	4.6
81.07053	71.9
83.04985	10.7
83.08627	18.5
85.02887	2.8
85.06533	5.1
91.05478	66.5
93.07037	67.3
95.04971	17.4
95.08603	38.7
97.06527	32.6
97.10175	17.5
103.05486	2.9
105.07025	61.8
107.04947	23.3
107.08593	61.0
109.06507	12.0
109.10146	24.0
111.04479	2.2
111.08086	6.6
115.05466	2.2
117.07012	24.1
119.08577	43.0
119.76721	2.2
121.06520	4.5
121.10140	20.2
123.08054	8.6
123.11743	7.9
125.09630	17.7
128.06250	3.8
129.07013	11.9
130.07832	2.3
131.08559	32.6
133.06480	3.6
133.10123	31.4
135.08072	6.2
135.11673	12.0
137.09589	4.9
137.13234	1.9
139.11179	2.5
141.07007	3.8
143.08565	13.0
145.06491	3.8
145.10109	27.7
147.08054	6.2
147.11676	24.9
149.09619	28.5
149.13297	3.0
151.11220	5.5
153.09096	2.4
155.08553	5.3
157.10117	10.3
159.11702	20.1
161.09659	2.9
161.13242	10.6
163.11183	17.3
168.09436	1.9
169.10100	8.9
171.10429	1.7
171.11676	10.7
173.09613	3.6
173.11868	2.7
173.13275	11.1
175.11214	2.8
175.14882	2.5
177.12715	5.2
179.14325	5.1
181.10066	3.8
182.10930	2.0
183.11688	8.7
185.13278	6.3
187.11215	5.3
187.14836	5.2
189.11200	9.9
189.12767	3.5
195.11679	2.2
197.09915	1.8
197.13293	6.2
199.14893	3.1
201.12758	3.0
203.14426	2.2
209.13286	3.8
211.14792	6.1
213.16399	6.4
221.13217	2.8
225.16451	2.4
227.12724	16.3
227.18036	2.6
229.19443	11.3
239.17992	6.9
243.15903	3.3
244.12880	1.6
247.20520	5.1
257.18948	16.7
259.20450	3.9
273.18286	2.7
275.20056	100.0
277.21652	2.0
291.19479	2.8
293.21112	9.5
331.22678	5.3
349.23688	39.7
363.26822	2.0
381.27679	2.3
395.29620	2.3
433.20197	4.5
437.09448	1.6
445.29349	3.1
446.16721	1.8
455.31424	1.9
461.20120	2.8
462.20724	2.6
494.22507	2.1
511.34863	1.7
513.36902	2.4
527.37140	2.3
529.34882	4.5
531.38177	4.5
543.36682	4.4
548.23755	2.2
549.39343	3.0
563.26178	2.1
581.27863	14.3
582.27374	2.5
605.41925	4.4
613.08246	1.7
623.43109	28.8
641.29425	39.4
641.43756	25.6
642.29376	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	641.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.3
53.03933	3.3
55.01870	8.3
55.05514	14.4
57.03425	6.5
57.07057	2.2
58.98161	1.5
65.03928	2.0
67.05138	1.7
67.05505	31.8
69.07064	17.3
71.04980	5.3
71.32678	2.2
79.05492	33.4
81.03410	2.1
81.07054	40.0
83.04979	5.3
83.08609	8.9
85.06551	2.3
91.05476	31.9
93.07040	29.3
95.04968	10.5
95.08604	20.6
97.06528	14.5
97.10146	6.5
97.19714	1.6
105.07031	27.5
107.04963	10.8
107.08593	20.1
109.06493	9.1
109.10148	12.2
109.78710	1.8
111.08081	2.5
113.05995	2.2
117.07022	11.5
119.08583	20.3
121.06479	3.9
121.10149	13.7
123.08073	4.4
123.11689	3.8
125.09615	5.6
128.06200	2.0
129.06963	4.7
131.08588	13.7
133.06462	2.0
133.10144	16.3
135.08057	5.4
135.11714	6.9
137.09615	3.1
141.07004	2.2
143.08566	6.6
145.10098	16.3
147.08043	3.3
147.11678	11.0
149.09686	10.1
149.13237	3.6
154.37617	1.6
155.08548	4.4
157.10115	6.1
157.20531	1.7
159.11688	11.7
161.13277	4.4
163.11198	6.8
163.14937	1.9
169.10147	5.0
171.11700	5.7
173.13274	5.7
175.11223	2.2
177.12708	2.7
179.14357	2.6
183.11723	2.6
185.13326	3.7
187.14832	1.7
189.11180	3.0
197.10588	2.1
197.13255	3.2
199.14830	1.8
213.16479	2.5
217.15833	2.0
223.12477	2.1
223.14949	1.7
225.13858	4.4
227.12553	2.2
227.17529	1.6
229.14227	2.0
229.19522	2.4
233.18536	1.6
237.13945	2.8
239.11682	2.2
239.15425	2.4
247.20499	2.4
253.19460	1.9
257.12741	1.8
257.19040	8.2
259.20502	2.5
273.18491	4.3
275.17264	3.2
275.20056	38.1
276.14926	1.9
277.21753	1.9
290.16550	2.6
291.19559	8.5
293.21136	3.2
298.56207	1.7
304.14407	1.6
304.17984	3.3
305.18906	2.5
311.14114	1.8
319.16687	3.3
330.15872	2.4
332.17499	4.3
334.19131	1.9
335.26010	1.8
340.14212	2.0
344.17450	2.1
349.23734	11.3
384.16995	3.9
392.19778	3.7
393.20554	3.8
395.29388	1.8
405.20956	2.2
406.21515	5.8
407.22134	6.6
409.23785	1.8
412.16782	3.7
417.20987	2.8
419.22144	2.0
420.23108	2.6
421.23624	11.2
422.24432	13.2
426.17661	2.2
431.22256	2.3
434.17715	2.3
434.24307	10.8
444.19113	5.4
459.21606	4.8
460.21844	2.3
462.20432	2.9
463.21243	14.9
473.23239	2.0
475.21356	5.8
476.21371	2.4
477.22833	5.9
487.24915	3.8
491.24036	5.1
494.27005	4.2
495.16754	7.0
508.22543	3.0
520.20453	2.4
531.37488	1.8
533.21503	1.9
545.25470	9.9
547.26904	13.7
549.24939	21.3
550.25488	8.7
563.26898	8.7
577.24176	2.3
579.29639	3.9
581.27484	2.5
591.26093	61.0
605.27368	9.4
609.26947	21.8
623.28625	100.0
623.43182	11.5
624.28314	3.4
641.29041	11.4
641.44232	14.0
642.22784	10.0
666.07794	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2966
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.03950	0.6
55.01867	1.2
55.05507	2.4
57.03432	0.7
59.01286	0.3
62.69055	0.3
66.92467	0.3
67.05504	4.8
69.03439	0.4
69.07070	2.1
71.58762	0.4
79.05491	4.7
81.03416	0.7
81.07054	6.2
83.05003	0.5
83.08621	1.1
85.06516	0.4
91.05482	3.8
93.07050	4.3
95.04951	1.5
95.08611	3.0
97.06517	1.5
97.10155	0.8
105.07018	3.4
107.04967	0.8
107.08593	2.6
109.06505	1.8
109.10168	1.6
116.78360	0.4
117.07031	1.2
119.08564	2.7
121.06556	0.4
121.10140	1.5
123.08112	0.4
123.11707	0.8
124.47136	0.3
125.09628	0.9
128.06241	0.4
129.07016	0.5
131.08545	2.0
133.06499	0.4
133.10117	1.8
135.08070	0.7
135.11720	1.1
141.06995	0.4
143.08566	0.4
145.06462	0.4
145.10091	1.7
147.08104	0.5
147.11708	1.0
149.09619	1.1
149.13261	0.4
151.11186	0.3
155.08495	0.4
157.10159	1.0
159.11716	1.0
161.13280	0.5
163.11194	1.1
165.12785	0.4
165.46468	0.3
169.10197	0.4
171.11769	0.4
173.13382	0.5
183.11649	0.4
197.10796	0.4
207.11931	0.3
227.12834	0.8
229.19478	0.4
257.19125	0.5
275.20078	5.0
291.19336	0.3
293.21210	0.4
349.23865	2.0
377.17697	0.7
378.18466	0.8
379.19327	1.3
390.18433	0.7
391.19568	1.7
392.15549	0.4
392.19986	0.9
393.16525	0.4
393.20837	2.2
395.22235	0.7
405.16486	2.6
405.21075	1.0
406.17294	1.5
406.22287	0.5
407.18463	0.9
407.22690	5.3
408.23651	0.8
418.17682	0.6
419.18365	3.8
419.23608	0.6
420.19205	2.4
421.20230	5.8
423.22070	1.5
433.15744	0.4
433.20334	5.4
434.21298	4.5
435.21991	9.3
436.22653	2.1
447.22812	1.6
448.23285	0.6
449.19562	9.3
450.20172	0.5
458.21207	0.3
461.18796	0.5
461.24310	0.5
462.20590	0.6
463.21085	3.9
464.21994	2.1
465.19119	0.9
467.24323	1.0
475.21121	0.9
476.21667	0.4
477.22717	1.0
479.20749	1.1
480.20981	0.4
481.21835	2.2
491.24829	0.5
493.21524	2.4
494.23053	3.0
495.23868	3.6
506.23669	0.5
507.24130	2.0
511.23837	0.5
521.25897	9.7
522.26306	0.6
523.26660	1.0
526.25806	0.6
535.23346	0.9
539.22241	1.7
543.37006	0.6
549.24854	1.0
551.26776	0.5
553.25073	1.0
563.26538	1.3
567.25873	0.4
581.27612	20.6
582.28265	1.2
623.28625	0.5
623.43164	1.3
641.29675	100.0
642.29895	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2965
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.03955	0.4
55.01865	1.1
55.05507	2.3
57.03432	1.7
59.76619	0.4
61.67626	0.4
65.03931	0.6
67.05505	4.7
69.07064	2.1
69.39192	2.2
69.39621	1.9
79.05491	4.8
81.03439	0.6
81.07053	5.5
83.08638	1.0
85.06550	0.7
91.05492	4.6
93.07042	5.3
94.07465	0.4
95.04982	1.2
95.08617	2.8
97.06552	0.9
105.07041	3.4
107.04964	1.3
107.08597	2.4
109.06523	1.7
109.10153	1.3
111.08093	0.6
113.06006	0.9
117.07019	0.8
119.08581	3.4
121.06506	0.7
121.10146	1.8
123.04435	0.5
123.11749	0.5
125.09554	1.0
126.06465	0.4
129.06984	1.0
131.08562	2.3
133.10127	1.8
135.08064	0.6
135.11719	0.8
137.09587	0.6
143.08582	1.7
145.10155	1.6
147.11711	1.3
149.09647	1.2
150.05530	0.4
155.08563	0.6
157.10150	1.2
159.08093	0.5
159.11717	1.4
161.13313	0.6
163.11205	0.7
171.11699	0.5
173.11932	0.4
173.13242	1.0
183.11748	1.0
185.13213	0.9
187.14862	0.6
195.11690	0.5
197.13271	0.7
201.16435	0.5
217.15877	0.5
237.10193	0.6
239.11697	0.7
249.10268	0.6
257.19077	0.6
275.20053	3.8
276.50549	0.5
291.19815	0.7
330.16101	0.5
340.14764	0.6
349.23776	1.8
391.19269	1.2
405.16617	0.7
405.21213	0.8
406.21573	0.9
414.18915	0.6
418.17795	0.8
419.18774	1.7
423.22287	0.5
430.21573	0.7
432.19919	0.8
433.20224	2.7
434.21201	2.2
445.20056	0.5
447.17853	1.4
447.22577	1.2
448.22989	0.6
449.23782	1.0
450.74716	0.5
460.23175	0.9
460.31372	0.5
461.19525	8.7
462.20276	3.4
463.21524	1.2
465.18921	2.6
467.24213	2.0
475.21246	1.4
476.22305	1.8
477.22827	2.7
479.20923	1.6
480.21725	0.8
481.21939	0.5
491.20459	0.6
493.22424	0.9
494.22971	2.5
495.24084	1.6
507.23862	0.6
508.25098	0.7
516.21167	0.5
520.24084	0.7
521.22290	1.5
523.23608	0.8
533.21790	0.5
535.26740	1.3
543.36877	1.0
548.23804	2.2
549.25494	1.2
553.28021	1.0
563.26630	4.3
581.27673	12.5
607.29370	0.7
608.26587	1.3
609.26685	1.9
623.28436	1.6
623.43073	1.9
641.29681	100.0
642.29700	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	641.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31857	0.7
53.03946	1.1
55.01861	2.9
55.05522	4.5
57.03411	1.1
58.85639	0.7
66.34303	0.8
67.05507	9.3
69.07069	3.8
71.04991	0.9
71.59115	1.2
74.19151	0.7
79.05061	1.1
79.05490	9.8
81.03410	1.1
81.07053	11.3
83.04977	1.7
83.08620	3.1
91.05474	8.2
93.07043	9.9
95.04961	2.8
95.08614	6.9
97.06532	2.5
103.05492	1.0
105.07034	8.1
107.04951	2.7
107.08578	5.3
109.06516	2.8
109.10184	3.2
111.08100	0.9
115.05441	1.6
117.07001	2.7
119.08572	6.2
121.06483	1.1
121.10146	4.3
123.08078	1.0
125.09682	1.2
129.07011	1.8
131.08569	3.9
133.10147	2.8
135.08080	0.9
135.11729	1.2
137.09607	1.0
141.06949	0.9
143.08551	1.4
145.10150	3.2
147.11691	2.6
149.09653	3.1
149.13179	1.1
157.10149	1.1
157.38065	0.8
159.11708	3.4
161.09721	0.9
163.11188	1.9
169.09985	0.9
171.11658	1.8
173.13174	1.3
257.19101	1.8
275.20071	11.7
281.12881	1.5
291.19678	1.1
293.21201	1.7
349.23837	3.2
391.14856	1.0
391.19299	1.3
392.20169	1.3
393.20801	2.3
405.16605	1.6
405.21320	1.2
406.21967	1.1
407.22372	3.1
419.18744	3.1
420.19482	2.2
421.20313	5.3
422.21307	1.0
433.20255	6.1
434.21234	4.5
435.21902	8.7
436.22336	1.8
447.22412	1.9
448.22989	1.0
449.19614	12.8
450.20169	1.3
461.24127	0.9
462.21036	1.7
463.20963	4.3
464.22296	2.6
467.24643	1.5
477.22604	1.7
479.20303	1.2
481.22513	1.4
493.22278	2.4
494.23026	4.1
495.23853	3.9
507.23972	3.5
521.25806	7.4
535.23322	3.8
543.36884	1.6
549.25061	2.6
567.26605	1.2
581.27618	30.9
582.28143	1.1
595.25592	3.9
613.29828	1.0
623.42993	2.5
641.29675	100.0
641.43036	3.4
642.30646	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	641.1705
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
66.01128	0.3
69.03471	0.3
69.39291	1.8
70.06617	0.7
72.08185	0.4
81.03448	0.2
84.04508	0.3
84.08188	0.3
85.02928	0.4
86.09730	0.3
91.05516	0.6
93.07051	0.5
93.60606	0.2
95.04948	0.3
97.02920	0.3
98.21453	0.4
109.02957	0.2
110.03693	0.4
111.74705	0.2
117.03416	0.3
121.10139	0.5
124.26897	0.2
127.03942	0.2
129.10252	0.3
135.04463	0.2
137.02296	1.0
137.06020	0.2
145.02863	0.3
145.24591	0.2
147.04462	0.5
148.75902	0.2
153.01788	1.0
167.07022	0.2
177.05518	1.0
204.04134	0.3
213.05492	0.2
228.04179	1.6
229.04964	0.9
245.04457	0.9
256.03671	0.5
257.04477	0.8
273.03867	0.7
274.04672	3.7
285.03894	0.9
301.03442	8.2
302.04199	47.1
303.04688	0.9
317.06534	100.0
318.06961	1.6
426.18536	0.3
479.11813	22.0
480.12119	0.4
641.16541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01855	0.6
57.03430	0.8
58.99561	0.6
59.05644	0.3
61.02908	0.4
67.05505	0.5
68.99781	1.0
69.03419	1.6
69.07058	0.4
70.06586	1.2
71.01337	0.4
71.04990	0.6
72.08157	0.6
73.02901	1.0
76.02215	0.9
78.04694	0.6
79.05496	0.5
81.03417	4.3
81.07064	0.4
84.08127	0.9
85.02898	2.4
86.09708	0.6
89.03909	6.1
91.03940	0.5
91.05464	1.3
93.07047	1.3
95.04940	0.7
97.02863	1.0
97.06522	0.4
99.04468	0.6
103.05453	0.8
107.08598	0.5
109.02878	1.7
110.03571	0.6
111.00829	0.4
115.03916	0.5
117.03374	18.7
119.04942	0.7
119.08511	0.4
121.02828	0.5
121.06503	0.4
123.04413	0.4
127.03885	2.3
128.06136	0.4
129.06984	0.4
134.03601	1.2
135.04424	2.0
136.06184	2.6
137.02327	5.6
137.03307	0.6
145.02837	45.9
146.03204	0.5
147.04376	1.1
149.02328	0.6
149.05983	6.4
153.01807	3.0
158.06064	0.5
161.05940	0.5
162.02072	0.4
163.03883	1.9
165.01828	1.5
166.07274	0.6
167.07010	0.5
171.02948	0.4
173.05942	0.4
177.05460	100.0
178.05807	1.5
179.04878	0.6
180.08797	12.2
181.09145	2.7
183.02863	0.5
186.05470	1.2
187.03819	0.4
195.06525	1.2
201.05443	1.2
207.06480	0.5
229.04950	3.0
229.71426	0.4
234.14709	0.4
257.04529	2.1
274.04752	0.8
285.03915	0.7
294.27481	0.4
302.03870	0.4
303.04977	53.2
304.05228	0.8
321.09631	7.0
334.13675	0.4
339.10654	2.3
345.09769	0.5
346.09872	0.4
347.10092	0.6
377.01703	0.8
379.81610	0.4
491.23065	0.7
509.24445	0.5
570.47290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1499
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
51.89074	0.1
53.03927	0.5
55.01862	0.3
63.02372	0.4
65.03954	0.2
66.62714	0.1
67.01865	0.2
68.99786	0.9
69.03424	1.0
69.51894	1.0
69.52316	0.4
70.06583	0.7
71.04948	0.2
72.55598	0.2
78.04726	0.4
81.03415	4.8
85.02905	1.3
86.09717	0.2
89.03915	7.0
91.05475	0.7
95.04949	0.4
97.02888	0.5
99.04449	0.3
103.05466	0.3
106.04163	0.4
109.02893	1.7
111.00793	0.7
117.03377	20.4
118.03735	0.2
119.04974	0.2
121.02834	0.9
123.04436	0.3
124.03902	0.2
124.05157	0.2
127.03912	2.3
129.44266	0.2
134.03596	1.5
135.04434	1.6
137.02338	6.8
137.03392	0.3
139.47273	0.2
145.02840	49.0
146.03177	0.6
149.02367	0.7
149.05980	7.1
153.01814	3.3
161.05988	0.4
162.03122	0.2
163.03897	1.7
165.01814	1.0
171.02875	0.5
173.06009	0.3
177.05464	100.0
178.05830	1.8
181.50708	0.2
182.74307	0.2
183.02890	0.6
183.04355	0.3
186.05515	1.3
187.03906	0.2
191.03461	0.2
195.02928	0.2
195.06512	1.1
201.05447	1.4
215.03403	0.2
219.02820	0.3
219.06580	0.2
229.04938	3.0
247.06006	0.5
257.04382	2.0
257.86731	0.2
261.03879	0.3
274.04752	0.5
279.08649	0.2
285.03909	0.7
302.04166	0.2
303.04984	52.6
304.05298	1.6
321.09680	7.3
322.10031	0.3
326.67365	0.2
339.10635	2.2
345.05939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1497
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03937	0.4
55.01855	0.6
57.03430	0.8
58.99561	0.6
59.05644	0.3
61.02908	0.4
67.05505	0.5
68.99781	1.0
69.03419	1.6
69.07058	0.4
70.06586	1.2
71.01337	0.4
71.04990	0.6
72.08157	0.6
73.02901	1.0
76.02215	0.9
78.04694	0.6
79.05496	0.5
81.03417	4.3
81.07064	0.4
84.08127	0.9
85.02898	2.4
86.09708	0.6
89.03909	6.1
91.03940	0.5
91.05464	1.3
93.07047	1.3
95.04940	0.7
97.02863	1.0
97.06522	0.4
99.04468	0.6
103.05453	0.8
107.08598	0.5
109.02878	1.7
110.03571	0.6
111.00829	0.4
115.03916	0.5
117.03374	18.7
119.04942	0.7
119.08511	0.4
121.02828	0.5
121.06503	0.4
123.04413	0.4
127.03885	2.3
128.06136	0.4
129.06984	0.4
134.03601	1.2
135.04424	2.0
136.06184	2.6
137.02327	5.6
137.03307	0.6
145.02837	45.9
146.03204	0.5
147.04376	1.1
149.02328	0.6
149.05983	6.4
153.01807	3.0
158.06064	0.5
161.05940	0.5
162.02072	0.4
163.03883	1.9
165.01828	1.5
166.07274	0.6
167.07010	0.5
171.02948	0.4
173.05942	0.4
177.05460	100.0
178.05807	1.5
179.04878	0.6
180.08797	12.2
181.09145	2.7
183.02863	0.5
186.05470	1.2
187.03819	0.4
195.06525	1.2
201.05443	1.2
207.06480	0.5
229.04950	3.0
229.71426	0.4
234.14709	0.4
257.04529	2.1
274.04752	0.8
285.03915	0.7
294.27481	0.4
302.03870	0.4
303.04977	53.2
304.05228	0.8
321.09631	7.0
334.13675	0.4
339.10654	2.3
345.09769	0.5
346.09872	0.4
347.10092	0.6
377.01703	0.8
379.81610	0.4
491.23065	0.7
509.24445	0.5
570.47290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.3
53.03947	7.9
55.01861	7.0
55.05505	8.0
56.05027	1.9
56.96561	1.8
57.03431	7.3
61.02922	8.0
65.03941	2.4
67.05506	7.1
68.99789	3.3
69.03428	34.3
69.07055	9.5
70.06598	8.3
70.87000	1.7
70.87349	3.4
71.04993	6.6
72.08146	3.8
73.02906	7.4
76.02206	1.7
79.05486	11.3
81.03417	22.8
81.07056	16.8
82.75702	1.2
83.04981	2.8
83.08632	7.3
84.04501	2.0
84.08146	5.3
85.02898	100.0
85.06531	3.0
86.09702	3.7
87.00822	42.9
87.04455	2.3
89.03951	1.5
91.03950	3.4
91.05484	11.9
93.07040	26.0
95.04975	6.1
95.08604	27.0
97.02286	2.8
97.02889	45.2
97.06537	1.9
97.10146	4.7
99.04452	11.5
99.08091	6.8
105.01856	76.5
105.07014	10.6
106.04898	1.6
107.04951	3.4
107.08582	35.0
109.02873	30.8
109.06512	1.9
109.10154	8.6
110.07184	2.0
111.04422	2.7
111.08036	1.8
113.09620	1.8
115.03912	1.9
116.07104	1.7
117.03399	3.0
117.07022	4.1
119.04942	2.0
119.08569	12.0
120.08120	3.9
121.10136	48.9
122.03643	1.6
122.06015	1.4
123.04406	1.5
123.08035	2.0
123.11710	3.2
125.06004	1.8
125.09692	1.8
125.23048	1.5
127.03910	66.3
129.01825	4.5
130.52632	1.5
131.04880	2.3
131.08530	4.9
133.10091	7.4
135.11714	14.7
136.06165	6.6
137.02269	1.5
137.05968	25.1
137.13261	2.4
139.11237	1.8
141.06967	1.5
143.08562	1.9
143.61880	1.5
145.02896	9.9
145.04948	31.4
145.10114	7.2
147.02910	2.0
147.04398	5.4
147.08041	1.5
147.11711	3.2
149.05969	3.9
149.09708	3.0
149.13219	4.7
151.07535	1.6
157.10141	3.2
159.02899	13.0
159.04134	1.9
159.11688	6.7
161.13214	3.7
163.14812	2.9
167.07066	2.3
169.10165	2.1
171.03004	1.5
171.11703	2.9
173.13252	4.2
175.03966	3.1
175.07521	1.5
175.14824	7.4
177.05429	17.8
177.16377	74.8
181.04895	2.1
183.11679	2.6
187.11102	1.7
187.14754	2.1
189.03989	2.3
195.17429	6.0
199.14949	2.0
201.16385	5.0
207.06424	6.4
209.13307	3.7
213.03946	4.6
213.16409	1.7
219.17438	3.9
223.14668	1.7
225.16364	1.8
227.14372	2.8
231.04967	25.9
231.17407	2.3
241.04965	4.4
243.17529	2.5
249.06073	10.3
267.17410	4.1
269.04272	1.4
270.05234	2.0
271.06009	2.4
272.84515	1.4
285.18433	6.1
303.05002	4.6
357.13602	1.6
387.14380	4.1
389.19589	4.0
407.20630	6.2
479.13480	6.6
640.32104	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51546	1.6
55.01862	3.3
55.05506	4.9
57.03439	3.2
58.99576	2.6
61.02916	5.2
67.05493	7.6
69.03431	3.7
69.07063	2.8
70.06585	6.6
70.15193	6.1
70.15563	3.5
72.08154	5.3
74.08022	1.6
76.02208	8.9
79.05491	9.8
81.03419	10.3
81.07063	8.2
83.04987	2.4
84.04511	3.8
84.08144	2.0
85.02895	7.9
86.09693	4.6
91.03981	1.8
91.05485	9.4
93.07041	9.0
95.01334	2.6
95.04984	5.6
95.08621	3.7
96.04439	1.7
97.02900	5.0
105.03350	2.0
105.07021	5.4
107.04961	5.4
107.08614	3.9
109.06533	2.7
115.05476	3.7
117.03368	2.4
117.07001	6.1
119.04943	3.2
119.08585	5.1
121.02851	2.0
121.06511	2.4
121.10200	1.8
123.04460	2.6
127.03956	2.4
129.06981	4.5
130.05031	2.8
130.06076	1.9
131.08582	4.3
133.06493	2.2
133.10191	2.5
135.04410	4.0
136.06178	29.7
136.07277	2.2
136.07637	2.0
137.02383	2.0
137.05910	2.7
143.08583	4.2
145.02855	8.1
145.06441	3.4
145.10164	4.6
147.04456	5.3
149.02344	4.5
149.05937	3.4
149.09631	2.9
151.03897	4.9
155.08569	3.2
157.06438	3.8
157.10097	2.9
159.04456	2.8
161.05995	4.2
162.02199	3.6
163.03952	7.7
165.06897	1.9
166.07254	5.9
167.08563	3.5
173.05969	5.0
173.09557	1.7
175.03868	3.6
177.05457	18.9
179.03464	3.2
179.04878	8.0
180.08791	43.6
181.04910	3.5
185.06062	2.0
187.07405	2.6
187.11125	3.9
189.05540	3.9
193.12209	2.4
197.09544	2.2
199.03882	1.9
199.11180	3.1
201.05580	1.8
203.10716	2.0
213.12723	4.5
215.10696	2.6
217.05016	4.2
221.04359	10.6
223.11090	2.0
225.09196	3.3
227.10605	5.2
231.10118	2.9
233.11763	5.5
235.05977	2.2
241.12192	4.3
243.13651	2.0
245.11754	3.3
251.10771	4.2
259.13217	2.3
261.11368	2.2
269.11642	10.6
277.10837	5.3
279.09988	2.5
287.12823	11.9
297.11331	5.9
303.04996	6.8
305.13751	6.3
308.09076	3.1
315.12305	18.0
333.13290	83.8
351.14465	17.0
392.10608	2.3
407.17035	27.3
425.18045	100.0
426.18176	2.2
443.18909	11.1
490.23004	4.2
513.30066	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.3
51.16394	1.6
53.03943	8.5
55.01664	1.7
55.01867	17.9
55.05262	2.5
55.05509	34.1
57.03434	29.9
57.07067	2.5
58.76775	1.5
59.04992	2.1
61.02955	1.9
65.03935	8.7
67.05499	100.0
69.03429	11.7
69.06721	2.8
69.07063	31.3
71.01327	2.1
71.04411	1.4
71.05006	8.8
71.58540	3.3
73.17482	1.5
74.58015	1.4
77.03917	1.9
78.19712	1.4
79.05486	82.0
81.03408	22.2
81.07050	78.5
83.04966	13.4
83.08611	17.5
85.02882	5.8
85.06531	21.8
91.05472	80.0
93.07038	65.2
93.07632	3.5
95.01300	3.0
95.04360	3.4
95.04959	59.5
95.08599	40.9
95.80775	1.4
97.02895	5.1
97.06527	21.5
97.10185	9.5
99.04476	3.8
99.08054	2.3
103.05455	4.0
105.04490	2.6
105.07023	51.9
106.07402	1.7
107.04949	25.0
107.08580	61.1
109.02879	3.7
109.06509	84.4
109.10141	19.3
111.04428	5.4
111.08091	7.8
113.05996	48.9
115.05442	5.8
116.06215	2.0
117.07008	27.8
119.04898	3.2
119.08566	42.7
121.06476	10.4
121.10135	20.6
123.04417	2.6
123.08058	9.0
123.11674	3.8
125.05963	1.8
125.09629	9.1
127.03905	4.8
128.06192	4.2
129.07013	16.0
130.07813	2.5
131.08542	40.1
133.06467	6.2
133.10143	28.9
135.08038	48.7
135.11697	13.6
137.05934	2.8
137.09602	5.6
141.07001	4.0
142.07831	3.3
143.08539	14.8
144.09312	1.9
145.06474	5.8
145.10101	32.0
147.08029	10.6
147.11656	17.3
149.09604	20.7
149.13248	6.9
151.11140	2.3
153.07088	2.8
155.08540	7.5
155.10645	1.9
157.10088	12.0
159.08031	7.0
159.11642	18.2
161.09625	11.3
161.13254	6.1
163.11203	14.9
165.09134	2.4
165.12735	2.3
167.08504	2.3
168.09361	2.1
169.10114	7.8
171.11652	10.2
173.04439	2.8
173.09619	4.7
173.11868	2.7
173.13272	7.3
175.11191	4.4
175.14760	1.5
177.12677	7.8
179.14307	7.3
181.10048	3.9
183.11693	6.4
185.09578	2.3
185.13283	4.7
187.11179	4.2
187.14816	3.8
189.11287	3.9
189.12785	2.8
191.10509	2.2
193.12244	1.7
195.11743	4.6
195.13846	6.3
197.13266	4.5
199.11157	4.1
199.14838	5.6
201.12752	4.6
201.16397	1.8
207.11858	1.9
207.13753	1.7
209.11717	2.4
213.16331	2.0
217.15926	17.9
219.13794	2.1
227.12776	5.3
227.17938	3.4
229.19440	4.1
233.15445	3.7
237.16460	2.7
239.17943	2.8
245.19064	3.6
255.17503	2.9
257.19003	8.0
267.15979	2.0
269.17566	2.6
273.18472	43.5
275.20050	39.3
291.19513	95.9
292.19708	2.2
309.20599	3.3
329.21194	2.1
339.18085	1.8
347.22174	9.0
349.23715	6.9
365.23260	3.6
423.27066	2.0
477.28619	2.5
486.95374	1.7
527.36243	2.3
547.38300	1.8
565.38751	2.1
621.41669	9.7
639.42706	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	639.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.2
55.01877	7.7
55.05509	20.9
55.65512	1.4
57.03428	11.7
57.07060	3.6
59.04988	1.7
61.02913	1.4
62.85250	1.4
64.80669	1.3
65.03919	6.1
65.24535	1.1
67.05499	79.9
69.03138	1.6
69.03426	18.3
69.06727	2.2
69.07067	23.2
70.24953	1.3
71.01353	2.1
71.04992	34.3
77.03961	1.8
79.05486	54.2
81.02930	2.0
81.03413	41.8
81.07048	100.0
83.04971	18.8
83.08611	16.4
85.02893	8.3
85.06544	12.0
86.08311	1.4
91.05474	50.5
93.07033	56.3
95.04967	24.1
95.08587	25.2
97.02893	12.6
97.06533	15.4
97.10156	5.9
99.04427	4.9
99.08093	2.9
103.03915	1.7
105.07018	33.1
107.04955	10.0
107.08589	34.6
109.02875	13.1
109.06504	19.0
109.10155	11.4
111.04428	7.5
111.08070	8.5
113.06015	9.2
115.05427	2.0
117.07014	13.4
119.08561	16.4
121.06472	4.4
121.10122	15.8
121.66051	1.6
123.08037	3.1
123.11700	10.2
125.09649	3.4
127.03910	8.1
127.07529	2.4
128.06218	1.9
129.06976	6.6
131.08543	15.9
133.06470	2.5
133.10118	20.9
135.08051	14.9
135.11664	9.9
137.09525	1.6
141.06932	1.7
143.08542	3.9
145.06473	3.5
145.10098	6.7
147.04440	1.8
147.08011	3.4
147.11653	10.8
149.09547	4.9
149.13237	20.2
151.11172	6.8
155.08592	1.6
157.10097	6.0
157.93961	1.7
159.11693	16.5
161.09517	2.2
161.13261	3.0
163.11157	4.6
165.12738	2.9
168.09393	1.8
169.10077	2.5
169.12263	2.3
171.06563	2.9
171.11758	3.3
173.04474	9.2
173.13167	3.0
175.11168	4.4
175.14696	1.7
177.12743	8.0
178.13106	1.6
183.13751	4.5
187.11038	1.8
187.13260	6.4
193.12271	4.5
195.13800	13.3
197.13306	1.7
201.14786	2.3
217.15811	4.2
225.14725	1.6
227.12766	2.5
229.35272	2.0
233.15549	1.7
247.16940	1.7
269.17493	9.7
273.18518	9.5
275.20053	10.7
283.15503	1.6
283.18790	2.5
291.19522	17.4
303.15796	2.4
321.16885	3.5
339.17981	6.9
349.24014	1.9
375.33408	1.7
395.20502	6.2
414.21188	1.7
421.29520	3.1
435.30597	1.8
437.29044	16.7
451.30438	7.1
453.31772	2.8
463.30435	4.9
495.32953	4.6
607.34601	8.6
621.41309	2.4
639.36371	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	639.2809
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01847	1.0
55.05515	2.9
57.03429	1.0
64.73426	0.9
65.06487	0.8
67.05515	6.3
69.07076	3.0
70.22972	4.7
71.05024	1.1
73.55114	1.0
79.05496	3.3
81.03426	2.2
81.07044	5.5
83.04992	1.5
83.08616	1.8
89.87466	1.0
91.05488	4.2
91.42384	1.0
93.07041	2.8
95.04951	1.6
95.08604	2.1
98.98485	1.4
105.07059	2.7
106.12132	1.0
107.08619	1.7
109.06521	1.2
109.10185	1.2
117.07007	1.6
119.08592	2.7
121.10146	2.0
129.07002	1.3
131.08531	2.1
131.48058	1.0
133.10164	2.9
145.10115	1.8
159.11710	1.2
193.12254	1.6
238.14795	1.4
249.14203	1.0
273.18521	1.5
275.20139	1.8
277.89685	1.1
291.19543	1.4
365.18622	1.4
372.16898	1.1
376.17236	1.2
377.17532	1.5
390.18518	1.5
391.19345	2.2
392.19995	1.6
393.20917	1.0
404.15985	1.1
405.16534	2.0
405.21332	2.0
407.17926	1.8
407.22345	3.8
418.17569	2.6
419.18637	4.4
420.19339	2.9
421.20288	4.7
431.18784	1.3
433.20251	12.1
434.21054	4.8
435.22131	7.8
436.22757	1.3
445.20389	2.3
446.21310	1.4
447.22299	1.9
449.19489	6.5
450.20880	2.1
460.22821	1.4
461.19327	1.6
463.21347	1.7
464.22070	1.9
465.23181	2.0
473.23837	5.4
478.20114	1.2
479.20502	1.6
486.20468	1.3
487.21356	1.5
488.22241	1.8
491.21259	2.1
492.21466	5.6
493.22028	7.0
501.22821	1.8
503.24448	2.4
505.22388	3.0
507.23813	6.2
519.24084	1.7
520.24493	2.3
521.25824	9.9
531.24036	2.9
547.23419	2.8
551.26526	2.0
565.24512	1.7
575.22906	10.5
579.26001	19.0
581.27679	2.8
597.27521	1.9
607.25500	30.9
608.26208	2.8
621.26892	1.2
639.28125	100.0
639.40045	6.7
640.28790	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	639.2809
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
52.76725	0.4
53.03951	0.6
55.01869	1.8
55.05502	1.9
57.03426	0.9
57.07050	0.5
59.80371	0.4
67.05175	0.5
67.05505	5.0
69.03436	0.8
69.07063	2.8
71.58049	0.9
79.05489	5.0
79.50098	0.4
81.03411	1.0
81.07050	6.2
83.04966	0.9
83.08614	1.2
91.05473	6.0
93.07040	4.0
95.01341	0.4
95.04960	2.9
95.08605	3.2
97.02891	0.6
97.06525	1.8
97.10188	1.3
105.07021	5.2
107.04955	1.7
107.08592	2.7
109.06535	1.6
109.10175	1.4
111.08058	0.6
113.05978	0.8
117.07040	2.1
119.08576	3.0
121.06477	1.1
121.10125	2.0
125.09626	0.9
129.06984	0.8
131.08548	2.2
133.06512	0.5
133.10150	2.8
134.58290	0.5
135.08037	1.0
135.11668	0.9
137.09653	0.6
141.06931	0.4
145.10132	1.5
147.08051	0.6
147.11711	1.0
149.09644	1.0
149.13289	0.6
157.10075	0.8
159.08176	0.5
159.11702	1.0
161.09637	0.7
161.13234	0.6
163.11136	0.8
173.13306	0.6
177.12865	0.6
179.14319	0.4
183.11732	0.6
197.13155	0.5
198.33315	0.5
204.06570	0.6
235.08519	0.4
237.10193	0.6
239.11972	0.6
257.19070	1.1
273.18573	2.5
273.21329	0.4
275.20010	4.1
291.19479	4.0
298.50934	0.5
314.12964	0.5
347.22522	0.7
349.23788	0.8
368.14438	0.6
377.17676	0.4
390.15295	0.5
391.15048	0.7
393.16895	0.9
405.17276	1.0
406.17819	0.5
407.18793	1.7
419.14301	0.8
419.19138	1.1
421.20441	5.4
422.20996	1.6
423.21667	0.7
433.16180	1.4
433.21091	0.7
434.17490	1.5
435.17270	2.3
435.23050	0.6
436.22803	2.8
445.20651	0.5
447.17343	0.6
447.22525	0.9
448.18976	2.3
449.19601	10.8
450.20239	2.7
459.17587	0.8
461.19559	1.4
462.20740	0.7
463.21884	5.3
464.22214	5.0
465.22971	1.7
474.20657	1.0
475.21872	2.0
477.18802	7.2
478.19730	2.0
479.20511	0.7
491.20688	0.8
492.21448	0.8
493.22726	0.7
495.23929	0.7
505.22379	0.7
507.23984	1.2
509.23550	0.8
521.22260	1.3
523.22980	2.4
532.20520	0.6
533.22766	0.8
535.23523	3.6
536.24091	1.6
537.22137	1.5
547.23315	0.9
549.21027	0.6
550.25757	0.8
551.26703	2.8
561.24878	4.2
563.22974	0.7
564.23688	4.2
565.24298	2.8
579.17700	0.8
579.26050	8.4
580.26178	0.7
581.23956	0.7
595.25610	1.9
596.26532	0.9
597.26373	0.7
610.27734	1.0
621.27112	5.3
622.26935	0.5
624.25671	5.7
639.28076	100.0
639.41907	4.9
640.28168	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2806
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
54.23026	0.8
63.30803	0.9
71.49699	0.9
71.50019	1.2
123.53178	0.9
165.74126	0.7
166.41029	0.9
180.11954	0.9
245.51877	0.9
324.89828	0.9
377.17719	2.5
389.18390	1.2
390.18564	2.7
391.19150	6.8
392.20053	3.1
393.20749	1.7
403.19183	1.4
404.19971	1.3
405.20804	10.2
406.21576	4.2
407.22256	15.1
417.20966	1.2
418.21942	2.0
419.22470	4.6
420.22958	4.8
421.23810	19.4
422.17514	1.4
422.24548	4.0
429.20932	1.1
431.18073	1.4
433.24200	4.7
434.24805	2.3
435.18298	1.5
435.25513	1.0
436.19241	1.5
445.20123	1.4
447.26340	1.4
449.19571	0.9
450.20273	1.8
451.21237	14.4
452.22159	4.4
461.23450	1.3
463.21771	1.8
464.22617	1.3
465.22827	24.2
466.23611	3.0
473.19641	1.4
475.20831	1.6
477.22809	1.6
479.24588	2.4
487.21304	3.2
488.22308	2.2
491.20874	3.7
492.21097	1.2
493.26044	2.7
501.23254	2.1
503.24371	16.0
504.25000	1.8
507.27527	12.1
508.28720	2.7
519.23602	1.2
523.23444	4.4
533.25671	1.7
535.27106	20.6
536.27557	2.3
537.25018	9.3
551.26550	7.2
552.19055	1.9
552.27319	28.2
561.24939	5.2
579.25940	15.4
580.26697	6.1
589.24231	1.3
593.27643	1.9
595.29156	11.1
621.17029	1.8
621.27063	27.8
622.27545	1.4
639.28076	100.0
640.28455	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40192	0.1
68.99789	2.2
69.03412	0.4
70.06590	0.9
71.58025	0.2
71.58393	0.2
72.06338	0.1
72.08141	0.4
81.03403	0.2
84.04501	0.2
84.08117	0.5
85.02894	0.4
85.51543	0.1
86.09684	0.4
91.05464	0.3
93.46700	0.2
93.67814	0.1
107.64300	0.2
110.07143	0.2
111.00799	3.4
119.04931	0.2
120.08105	0.3
127.03941	0.2
129.10185	0.2
131.04904	0.4
147.04405	2.3
149.05981	0.5
153.01817	0.8
159.04385	0.9
162.03099	0.3
163.07588	0.2
175.03909	8.1
177.05490	1.3
181.42242	0.2
185.06001	0.4
189.01985	0.2
189.05467	0.5
201.05545	0.4
203.03389	33.2
204.03674	0.4
213.05414	0.7
217.04979	0.6
231.06575	0.7
241.05003	0.8
245.04443	0.8
259.05981	2.0
259.08447	0.2
269.04459	0.6
273.04044	0.2
287.05441	2.1
315.04968	100.0
316.05325	1.6
360.11258	0.2
477.10287	23.7
478.10468	0.3
639.15637	1.4
639.32452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.281
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35356	45.0
70.23838	4.4
76.14017	3.9
87.29301	4.0
98.20758	6.7
155.15942	4.5
179.71532	4.5
274.36819	4.7
300.37689	4.2
429.16855	6.2
431.18210	7.0
433.23883	5.9
444.19501	8.9
450.20566	4.9
459.21701	47.8
460.22250	11.7
461.23471	5.3
473.23093	5.1
475.21243	5.0
519.23755	9.8
547.27240	30.8
579.25598	11.7
606.19287	7.8
606.28308	100.0
607.25641	16.5
611.28168	13.4
621.26630	8.8
622.27686	6.1
624.25214	6.2
639.27905	54.3
667.15649	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	637.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21209	0.8
52.08377	0.8
53.03942	3.2
55.01867	2.8
55.05510	4.8
57.03435	19.0
57.07076	28.9
61.02924	60.4
63.77932	0.8
67.05502	8.8
69.03429	24.5
69.07062	5.9
69.48560	7.2
71.01348	2.1
71.04985	3.9
71.08629	20.7
73.02915	20.7
75.04496	1.2
79.05498	1.9
81.03414	17.8
81.07054	12.9
81.77229	0.9
83.05024	1.8
83.08625	8.9
85.02905	71.9
85.10181	12.5
87.04462	3.2
89.06031	0.8
91.03953	40.5
91.05494	1.2
93.07079	1.8
95.04969	1.5
95.08601	16.9
95.99482	1.0
97.02892	60.2
97.10147	4.7
99.04450	9.8
99.11805	1.1
101.02373	6.2
103.03930	8.5
105.07054	1.1
109.02895	12.7
109.10165	9.7
111.04461	1.3
115.03920	6.6
117.05526	2.6
123.11683	4.8
125.13225	0.9
127.03915	31.4
129.05476	4.9
137.13272	1.6
137.84656	1.0
141.05461	1.2
145.04967	15.8
147.06476	1.9
155.07034	1.3
159.06514	2.2
163.05949	4.2
171.06522	1.6
183.06551	10.3
201.07568	7.5
219.08739	1.0
239.23668	18.6
257.24734	3.7
261.95532	0.9
284.22839	0.9
298.27408	1.2
313.27356	100.0
314.27695	1.8
341.26736	5.1
355.28394	3.4
367.28683	1.0
379.16357	1.0
383.27768	1.7
385.29504	1.3
397.29495	1.6
421.29465	1.8
439.30716	2.3
448.98160	0.9
457.31522	8.6
637.26953	1.0
637.39154	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12033	2.2
62.65204	2.1
65.45268	2.1
70.35411	2.0
98.21545	4.9
103.49937	2.0
215.28120	2.4
221.00011	2.3
332.65701	2.3
430.17532	3.6
443.18591	3.7
444.19385	2.7
445.20245	12.0
446.21085	3.2
447.21942	2.6
458.21140	9.6
459.22156	7.4
460.22647	4.9
461.19638	3.4
477.22937	2.8
518.23212	6.6
540.93024	2.8
546.26086	2.9
605.27686	15.8
625.90460	2.5
637.30231	100.0
646.97479	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	637.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17594	0.6
54.14306	0.8
57.03427	0.7
57.58808	0.7
67.05492	1.6
68.85975	0.6
69.07078	1.1
70.05901	1.8
70.06290	2.3
79.05475	1.2
81.07047	1.8
83.04993	0.8
91.05484	1.8
93.07027	1.8
95.04928	0.9
95.08620	1.6
97.54090	0.9
98.21395	1.0
105.07027	1.2
107.08553	0.9
109.10123	0.8
119.08569	1.2
129.06992	0.8
131.08627	0.9
133.10175	0.8
159.11711	0.9
195.11786	0.9
204.20450	0.7
219.10115	1.3
276.13220	0.9
340.14539	0.8
377.17651	1.3
386.15576	1.1
387.16336	0.9
389.19418	0.8
391.19479	1.4
392.20117	2.1
393.20801	2.7
398.16000	1.0
399.16257	1.8
400.16901	3.1
401.17899	3.9
402.19019	1.1
403.19016	1.1
405.20856	1.2
407.22354	3.5
413.17780	3.3
414.18658	4.5
415.19275	9.3
416.20209	1.7
417.20636	2.0
421.20276	3.1
426.18671	0.8
427.19363	2.2
428.20505	3.9
429.21210	7.4
430.22015	1.9
435.21890	2.1
441.16974	1.0
442.17648	1.6
443.18362	2.7
443.22598	3.7
444.18558	4.3
445.20236	3.0
456.19489	2.1
457.20630	5.2
458.21152	4.7
461.19992	1.0
471.22211	7.2
472.22824	6.6
473.19479	3.6
474.20905	1.2
485.19797	2.6
486.20505	6.0
487.21509	2.7
489.22729	1.8
490.19943	3.0
499.21445	10.4
500.21948	2.8
502.19220	0.9
503.24286	3.4
513.19147	1.2
514.20496	1.0
516.21741	2.2
517.22223	2.8
527.20862	3.1
528.21948	1.4
531.24054	10.5
543.23816	1.0
545.21924	1.1
559.23389	100.0
560.23889	1.8
587.22906	16.6
619.25488	81.5
637.26410	6.2
637.40607	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2653
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.05511	1.4
67.05490	2.3
69.07063	1.2
70.18713	4.9
70.19274	0.9
79.05481	1.2
81.07063	1.7
88.34982	0.9
92.71143	1.0
93.07040	1.0
95.08630	1.3
95.89153	1.0
97.10190	1.4
98.20818	1.4
105.07041	1.5
113.71633	1.1
180.15657	0.9
241.10184	1.1
256.21048	1.2
288.23743	1.0
375.16385	1.1
387.15924	1.2
389.17661	1.9
390.18085	1.0
401.17929	1.7
402.18637	1.7
403.19058	2.8
405.20779	1.4
410.74976	1.1
415.19955	1.3
417.16458	1.5
417.21240	2.5
419.22348	3.2
431.18716	3.2
432.19070	1.1
445.20221	5.7
446.21161	3.7
447.22134	2.4
459.22055	1.4
461.15643	2.7
463.21442	3.4
475.17609	1.9
476.18182	1.8
477.19321	3.0
489.19492	3.6
490.19754	9.6
491.20792	14.8
503.20593	4.8
517.22241	2.9
533.25806	6.2
535.19788	2.3
545.21704	1.2
549.25134	2.2
559.23474	1.4
577.24432	27.4
605.24176	1.4
636.41809	1.3
637.26526	100.0
638.26953	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	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00034	1.2
55.05503	1.9
57.07069	1.5
65.19645	1.1
67.05524	2.4
69.33965	5.5
69.34391	8.0
77.38528	1.2
81.07095	2.0
81.08712	1.4
86.89812	1.3
89.40959	1.2
91.05473	1.4
109.10170	2.0
377.17804	1.9
378.18478	2.6
385.14648	1.7
387.16269	1.5
390.18701	1.6
391.19260	5.4
392.20078	4.7
393.20825	6.2
399.16129	3.3
400.17114	3.5
401.17755	5.8
405.20804	4.2
405.97162	1.6
406.21646	1.5
407.22476	6.7
413.17868	2.9
414.18500	6.8
415.19330	8.7
417.16858	1.9
419.23151	1.8
421.20258	5.7
427.14731	1.7
427.19745	2.6
428.20337	3.0
429.21173	9.8
430.21741	2.2
435.21515	8.0
436.22479	2.0
441.17419	1.7
443.18054	2.1
443.22754	3.9
444.19522	6.5
444.24426	2.2
445.20383	2.7
447.17813	2.7
457.20343	5.4
458.21024	5.4
461.19296	2.7
463.21313	2.2
469.16327	2.1
471.22339	7.5
472.23096	7.3
473.19745	6.4
474.20590	4.1
476.18118	1.6
485.19812	7.3
486.20520	6.0
487.20877	2.6
489.19254	5.2
489.23877	1.8
490.19315	6.7
491.20654	2.4
499.21454	11.0
500.22443	3.7
501.23349	2.0
502.19839	2.5
503.20343	2.9
513.19019	10.5
514.20172	2.9
517.22461	18.5
521.25647	2.0
527.20917	3.8
529.22021	1.9
531.24774	10.0
545.22009	2.1
549.25226	10.2
559.23383	100.0
560.23718	4.7
587.22968	17.8
591.26062	5.9
605.23615	11.3
609.27734	1.9
619.25482	84.0
620.25800	3.4
637.26581	99.5
638.27362	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	637.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.5
67.05455	0.6
69.36986	2.1
69.37406	2.9
81.07032	0.8
91.05419	0.7
93.06996	0.7
114.94752	0.5
118.66718	0.4
118.67609	0.5
120.77648	0.5
168.07954	0.6
207.09267	0.6
221.10490	0.5
277.12021	0.6
376.17068	1.0
377.17554	2.3
378.18393	1.0
379.19601	0.6
383.14346	0.6
385.14545	1.2
386.15240	1.1
387.16254	1.2
388.17941	0.9
391.19238	1.9
392.19931	1.2
393.20950	2.8
397.14667	0.8
398.15695	0.8
399.16129	4.1
400.16797	4.6
401.17700	4.9
402.18701	1.0
403.19479	1.0
405.20932	1.2
407.22342	3.0
410.15363	0.6
411.16177	1.0
412.16971	1.0
413.17767	3.8
414.18597	5.7
415.19431	9.0
416.19958	1.5
417.20694	1.7
419.18549	1.5
421.20389	2.8
425.17596	1.5
427.14853	1.2
427.19324	1.6
428.20300	6.1
429.21399	7.5
430.21912	3.1
431.18436	0.7
435.21805	2.3
436.22614	0.7
438.18881	0.5
439.19177	1.4
441.16946	1.5
442.17938	1.8
443.18433	5.4
443.22787	3.4
444.18695	6.0
445.20346	3.4
447.17538	1.2
447.22595	0.8
455.18704	0.6
456.19519	2.0
457.20453	7.0
458.21179	4.9
459.17780	1.0
461.19186	0.8
469.16196	0.7
470.17346	1.3
471.22366	9.6
472.23309	5.5
473.19348	4.7
474.20596	1.5
483.17953	0.8
484.18927	1.2
485.19601	2.8
486.20578	6.9
487.21317	2.3
488.22537	1.1
489.22717	1.9
490.19891	4.6
491.20688	0.8
499.21432	10.6
500.22504	3.9
501.18964	0.7
502.19830	1.2
503.24997	4.8
504.21671	1.2
513.19293	1.2
514.19617	0.8
516.21436	1.7
517.22272	3.6
521.25525	1.2
527.20831	2.7
528.21393	0.9
531.24036	12.0
532.24554	0.7
541.22913	0.8
543.23895	1.5
545.21637	1.2
549.24982	1.6
559.23413	100.0
560.23743	2.4
587.22894	18.2
619.25525	76.1
620.25415	1.8
637.26660	8.7
637.38165	0.8
637.41077	0.7
640.45490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.3
60.98256	0.3
67.05499	0.8
69.07030	0.3
79.05519	0.3
81.07039	0.6
91.05480	0.3
98.98464	2.3
102.59575	0.2
118.06518	1.0
118.70404	0.2
125.00002	7.0
132.08073	0.5
133.08804	0.3
144.08080	9.9
144.09221	0.5
146.09659	0.3
150.60028	0.3
158.09616	3.4
159.10403	1.1
160.11269	0.3
172.11200	3.0
176.14339	10.6
202.15901	88.0
203.16251	1.3
220.16957	10.0
300.13580	100.0
301.14151	1.3
329.53690	0.3
330.20169	0.4
432.53986	0.3
452.62549	0.3
598.09717	0.4
618.38995	1.2
636.40363	2.2
637.26337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01862	1.1
55.05525	1.4
57.03433	1.8
68.99787	0.9
69.03433	9.0
70.06586	14.9
70.69208	1.0
71.12706	1.7
71.13116	1.8
72.08158	12.1
79.05485	1.5
81.03407	1.5
81.07064	1.6
84.04512	3.3
84.08171	0.9
85.02898	10.6
86.09707	3.7
87.04448	4.8
87.05586	1.1
89.53873	0.8
91.05473	4.8
93.07035	1.1
94.04182	2.7
97.02892	6.2
99.04466	1.0
100.99094	0.9
101.75046	0.9
102.05551	1.9
103.05447	1.8
105.07037	5.5
107.04961	1.1
109.02919	0.9
109.06540	3.0
111.04443	0.9
115.03926	5.2
115.05470	4.5
117.07034	2.3
119.04961	1.5
119.08594	2.1
122.03623	7.7
127.03906	2.5
129.07011	1.7
131.04897	1.8
132.05727	1.6
133.04964	3.1
133.06230	4.6
135.04271	0.8
137.05974	100.0
141.10243	1.3
145.06499	2.8
147.04436	1.4
147.08054	3.6
149.06023	1.9
151.07620	1.5
153.01799	1.5
155.08168	1.1
156.05783	0.8
159.08058	2.8
160.05185	1.4
161.05981	13.5
163.07515	1.7
163.11171	1.1
165.06783	1.0
169.09755	2.5
172.05200	1.5
175.07555	28.2
177.05495	1.0
179.07014	1.1
181.06227	1.1
184.05307	1.3
185.09221	1.3
185.16455	1.3
187.07529	8.7
189.07001	1.2
189.12737	1.8
190.07776	2.6
191.08586	6.3
199.07523	9.9
202.07800	2.1
203.08499	5.8
205.08517	1.3
213.08737	1.9
217.08508	1.3
218.07242	1.4
219.07997	9.1
220.08881	2.4
227.06596	1.7
231.08046	5.9
235.07634	1.8
236.08379	1.5
244.09329	2.5
247.07634	3.5
248.08266	2.2
251.10646	11.8
259.07550	4.2
260.08414	2.4
263.10724	3.8
264.07816	1.1
265.08603	1.0
276.07761	1.4
277.08527	2.5
279.10080	11.4
291.10129	8.0
292.10861	2.8
295.13208	1.4
296.10361	1.4
298.14026	1.3
311.12778	24.0
311.16235	1.7
312.13306	0.9
323.12766	9.8
341.13721	1.8
435.18732	2.3
583.46967	1.1
593.66193	1.1
618.21490	1.0
635.31683	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	634.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
57.07062	0.2
58.43776	0.2
67.05503	2.0
69.03407	0.5
69.07067	0.4
69.24222	0.2
79.05496	1.0
80.05769	0.2
81.03405	0.6
81.06604	0.2
81.07047	1.3
83.04969	0.3
85.06513	0.2
91.05466	0.7
92.05807	0.2
93.07034	0.9
95.04960	0.3
95.08591	0.6
98.20721	0.4
98.98464	1.9
105.07014	0.7
107.08589	0.6
109.10162	1.0
110.10500	0.2
117.06960	0.3
118.06551	0.9
119.08557	0.6
121.10113	0.4
123.08025	0.2
124.99999	6.4
131.08563	0.3
132.08093	0.4
133.08849	0.4
133.10081	0.3
135.11707	0.3
144.08075	9.4
145.06390	0.2
145.08890	0.3
145.10129	0.3
146.09599	0.4
147.11740	0.3
158.09633	3.6
159.10455	1.3
159.11623	0.3
160.11203	0.4
172.11182	2.6
173.11864	0.5
176.14343	10.0
179.14337	0.2
184.07301	0.3
202.15900	80.8
203.16190	1.6
220.16959	9.6
244.00243	0.2
300.13574	100.0
301.13925	1.8
374.17410	0.3
522.22589	0.2
616.37616	1.2
634.39264	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.0
55.01865	4.8
55.05507	20.6
57.03429	8.3
57.07075	3.2
59.04980	2.7
65.03907	4.4
67.05504	100.0
69.03424	32.4
69.07067	16.5
69.49694	1.9
71.04990	6.2
79.05481	35.8
81.03410	26.7
81.07056	44.8
83.04968	6.3
83.08607	9.0
85.02908	3.5
85.06528	2.6
91.05479	33.1
93.07047	38.1
95.04955	14.2
95.08608	33.6
97.02885	4.5
97.06533	3.8
97.10149	5.7
98.20718	4.0
99.04427	3.2
99.08066	3.1
99.27518	2.1
103.05463	2.9
105.07024	28.4
107.04977	5.2
107.08569	20.9
109.02885	4.1
109.06533	4.6
109.10155	50.7
111.04432	8.7
111.08085	5.8
115.05453	2.6
117.07023	14.3
119.08578	22.1
121.06481	4.5
121.10139	15.3
123.08051	5.9
123.11693	3.6
125.09628	5.4
127.03898	3.1
128.06175	2.6
129.06989	7.5
131.08560	15.7
133.06438	3.8
133.10126	13.8
135.08043	5.0
135.11678	7.1
137.09630	4.9
141.06990	2.9
143.08546	12.2
145.10155	12.8
147.08060	3.7
147.11664	8.0
149.09563	5.5
149.13177	2.8
151.07503	2.2
155.08583	6.9
156.09332	2.1
157.10117	9.4
159.08035	3.5
159.11708	8.3
161.09654	2.2
161.13263	3.0
163.11180	2.3
164.27863	2.4
167.08603	3.2
168.31535	2.4
169.10114	7.3
171.08067	4.0
171.11673	6.8
173.09680	3.4
173.11728	14.6
173.13214	4.3
175.11197	2.2
177.12717	2.2
181.10078	2.5
183.11667	2.9
185.09639	2.1
185.13197	4.0
187.11159	3.3
187.14781	3.8
193.12100	2.1
197.13251	5.4
199.11360	2.6
199.14873	2.4
201.79872	1.8
203.14240	2.1
209.13322	3.0
227.12630	2.6
229.14398	16.2
229.83270	2.5
229.88458	2.2
233.15346	2.7
258.55988	2.1
259.20578	2.4
277.21692	3.2
301.21591	8.9
315.23022	2.1
319.22736	2.7
331.26297	5.9
341.24976	2.8
345.24396	2.9
351.23145	4.5
357.24219	2.8
369.24051	8.7
387.24902	5.0
406.40247	2.2
443.28061	5.0
461.28763	4.5
489.35986	2.1
589.39813	3.0
597.37689	3.7
615.39722	3.3
633.39960	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	633.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01862	4.4
55.05508	19.8
55.14341	1.2
57.03424	7.5
57.07067	3.4
59.05004	3.9
65.03930	3.7
67.05501	100.0
69.03426	34.6
69.07063	16.0
71.04990	6.3
71.58506	2.5
73.02911	1.5
79.05489	36.0
81.02979	2.3
81.03419	24.3
81.07053	42.3
83.04974	9.4
83.08617	9.6
85.02906	3.9
85.06532	5.3
87.04489	1.6
91.05473	36.5
91.06010	2.4
93.07041	37.0
95.04961	13.2
95.08602	30.3
97.02892	4.8
97.06529	4.0
97.10139	7.5
99.04465	4.6
99.08062	1.7
105.07034	30.2
107.04948	3.8
107.08589	23.4
109.02887	5.1
109.06523	6.2
109.10152	52.8
110.10561	2.1
111.04459	6.1
111.08093	3.6
113.06006	1.6
115.05437	2.9
117.07018	13.4
119.08570	25.6
121.06477	4.0
121.10131	14.3
123.08069	4.1
123.11735	1.9
125.09634	7.6
127.03947	3.9
128.06244	4.6
129.05574	1.4
129.06992	10.1
131.08546	19.2
133.06509	3.2
133.10141	13.8
134.80759	1.5
135.04449	2.5
135.08054	4.7
135.11694	11.4
137.05986	2.1
137.09674	5.8
141.07098	3.8
142.07855	1.4
143.08537	8.4
143.76160	1.8
145.06551	3.7
145.10114	12.8
147.08073	5.1
147.11656	8.6
149.09671	4.6
149.13310	3.0
151.07657	1.4
153.06990	2.2
155.08604	4.8
155.10698	3.0
156.09334	1.5
157.10193	5.4
159.08083	2.8
159.11659	9.2
161.09619	3.0
161.13326	5.9
163.11249	3.7
167.08600	3.2
169.10188	4.3
171.08026	2.5
171.11739	5.8
173.11777	18.1
173.13312	6.7
175.11198	2.9
175.14861	1.7
179.14404	2.2
181.10164	3.5
181.12231	1.5
183.08067	1.6
183.11736	4.7
185.09651	1.7
185.13307	5.9
187.11217	2.2
187.14876	3.3
189.11288	3.2
189.12802	1.7
195.11670	3.2
197.11676	1.4
197.13338	2.9
199.14793	3.2
201.12854	1.6
207.11871	1.9
209.13333	2.3
213.12778	1.6
213.16391	1.4
229.14314	16.4
229.16180	1.4
239.14328	2.0
259.20660	1.8
261.22247	2.6
275.16742	1.6
275.20090	1.7
277.21799	3.6
283.20547	1.6
289.21762	1.6
299.15042	2.8
301.21777	5.9
319.22723	3.2
327.23346	3.1
333.20410	1.9
341.24854	2.6
345.24591	2.0
351.23395	4.7
355.17383	1.8
359.26123	1.7
369.24152	9.8
387.25446	5.2
405.26215	1.9
443.28372	2.1
461.28912	4.1
489.36191	2.6
597.37848	6.4
615.29590	1.5
615.38708	6.5
633.40070	45.2
634.40338	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	633.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.6
55.29232	0.7
56.05030	1.3
57.03447	1.1
60.04522	2.1
61.02900	1.0
67.05500	5.0
69.03415	2.8
69.07063	3.9
70.02924	0.9
70.06580	3.0
71.04961	0.9
71.58302	1.1
72.04504	3.5
72.08120	1.0
79.05488	2.7
80.05032	1.4
81.03427	3.1
81.07056	3.7
83.05007	1.1
83.08612	1.3
84.04513	3.6
84.08143	2.5
85.02889	2.9
86.09704	1.9
91.05484	2.4
93.07047	3.6
94.06563	2.9
94.44279	0.9
95.04986	1.9
95.08596	2.2
97.02897	3.5
97.06509	0.8
98.06054	1.3
99.58649	0.8
105.07036	3.3
106.06519	1.5
107.08595	2.8
108.08124	1.1
109.10187	1.2
110.01284	0.9
111.04405	1.7
117.07021	1.1
119.08556	2.3
120.04444	1.0
120.08117	1.1
121.10155	2.3
122.06035	8.2
126.05491	1.3
129.05518	1.3
129.10262	1.6
131.08604	1.2
133.10147	1.6
134.06015	1.2
135.11652	1.4
136.06203	3.9
136.07568	13.6
138.05533	1.3
140.07065	11.2
143.08546	1.0
144.06538	2.3
145.10143	1.0
146.06004	10.5
146.09666	1.5
147.04408	1.5
148.07590	8.5
149.05975	0.9
152.07091	2.9
159.11627	1.3
161.05969	1.2
162.05527	1.7
162.07632	18.9
163.07953	3.0
164.07053	12.0
166.08661	8.2
172.03963	4.0
174.05566	4.7
175.88445	0.7
176.07059	17.8
176.08528	1.3
177.05499	2.3
184.07335	1.1
190.04999	3.2
192.06514	1.0
204.06586	5.1
204.08217	0.8
206.08136	1.2
208.09824	1.0
209.10716	1.8
211.12396	2.0
213.10193	1.0
223.12265	1.5
225.10214	3.0
227.11801	1.4
229.13216	0.9
235.12331	3.1
236.13155	1.5
237.10190	7.4
237.13857	1.7
238.11009	12.0
239.11780	9.7
248.09384	1.9
249.10185	3.8
250.11021	3.5
251.11749	9.6
252.12633	1.4
253.13406	2.6
255.11281	1.2
263.09024	1.2
263.11746	14.7
264.08820	3.1
264.12515	3.3
265.09790	4.7
265.13373	21.5
266.10483	0.9
266.77704	0.8
267.11325	4.6
269.12738	1.8
271.14465	6.8
275.11783	1.4
276.12677	0.8
277.09671	3.2
277.13309	3.6
277.81329	0.9
278.10480	4.3
279.11276	100.0
280.12009	7.5
281.12817	3.6
283.10678	2.8
283.14325	1.6
285.12338	1.9
287.13867	6.3
289.15436	1.6
291.11389	4.6
292.12003	1.4
293.12759	6.5
294.13525	2.5
295.10846	3.6
295.14166	1.7
296.11758	3.1
297.12332	42.8
298.13150	5.4
299.13522	1.1
309.02606	1.0
309.08774	1.8
309.12338	34.5
310.13110	15.2
311.13898	5.4
313.11728	6.9
315.13391	0.9
319.10693	4.9
321.12357	11.4
322.13086	0.9
323.10263	1.6
324.11154	1.5
325.11746	4.9
331.12894	3.5
337.11832	55.6
338.12592	18.3
338.16473	1.4
339.13394	74.5
340.13928	3.5
341.11279	2.2
345.14688	1.8
359.12766	1.1
369.14355	9.9
370.15088	1.6
371.15997	12.6
373.13803	6.1
374.18665	1.3
392.19586	1.7
400.16388	1.7
422.59631	0.9
432.19312	1.4
434.20587	1.0
438.20108	3.2
442.17764	3.4
450.20456	1.8
457.27942	1.1
460.18683	42.1
461.19202	3.3
462.19882	1.1
466.19788	1.8
478.19727	44.8
479.20609	5.7
480.21411	6.7
496.21106	1.8
510.22052	7.0
583.25305	2.9
601.26563	70.1
602.27301	2.4
633.28198	2.9
633.36670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72719	0.5
54.73054	0.5
55.01873	0.8
55.05509	1.3
57.03440	1.1
58.23077	0.5
60.04524	1.3
64.10255	0.6
65.03937	0.6
67.05499	2.6
69.03427	3.6
69.07063	1.5
70.07160	2.6
71.04970	0.7
72.04520	2.2
73.02910	0.6
75.04456	0.5
79.05497	1.8
79.54527	0.6
80.04974	0.5
81.03428	1.1
81.07055	2.1
83.04972	2.0
84.02856	0.5
84.04509	1.9
85.02888	2.4
91.05486	2.6
93.07052	4.7
94.06570	0.7
95.04992	1.0
95.08601	1.4
97.02898	4.1
97.06525	1.1
105.07025	1.2
107.08582	1.5
108.08131	0.7
111.04447	1.7
111.08121	0.5
114.05534	0.6
115.03941	2.3
116.39262	0.6
119.08602	1.8
121.10156	2.9
122.06025	4.6
126.05515	1.4
127.03923	1.0
131.07285	0.9
131.08583	1.1
133.10201	0.8
134.05978	0.6
136.06203	1.7
136.07559	2.7
140.07019	0.9
143.08560	0.8
144.06570	1.3
145.02859	0.7
145.10127	0.7
146.06020	1.3
146.42178	0.5
147.11641	0.8
148.07567	0.9
149.09647	1.6
155.08670	0.6
159.11731	0.7
162.07634	9.9
163.07956	1.9
167.10730	0.6
174.05551	0.7
174.09238	0.9
177.05475	0.9
182.09592	0.6
184.11241	0.7
187.08684	1.0
190.40604	0.5
199.08705	1.4
204.06648	1.1
206.08189	0.7
210.09196	0.7
211.08710	1.5
213.10242	2.1
221.10646	0.6
225.10297	2.9
226.11072	0.9
227.08118	1.1
227.11830	4.3
235.08740	1.7
235.12271	0.8
236.09494	0.8
237.10269	2.6
238.10820	1.4
239.11862	2.5
241.13443	0.9
244.41158	0.6
248.09410	0.9
249.10228	6.2
250.11049	1.7
251.11771	6.1
252.12637	1.4
253.13426	2.2
255.11710	0.6
262.10965	0.7
263.11850	3.2
264.12473	1.2
265.09784	1.8
265.13373	3.8
266.10526	0.8
266.14145	1.0
267.11282	0.7
269.12811	1.7
277.09995	0.6
279.11304	2.4
281.12842	2.4
281.75327	0.8
283.01788	1.1
285.12402	1.3
287.13910	5.1
288.14825	0.6
291.11081	0.8
293.12875	1.2
295.10858	1.2
296.11679	2.6
297.12280	3.4
301.13205	0.6
307.10715	0.8
309.12378	1.9
310.13293	1.0
311.13977	2.5
313.11731	0.6
316.14737	1.7
325.12000	0.9
327.14740	1.0
328.14590	0.9
329.15964	0.6
330.16098	1.3
331.13193	0.9
336.09454	0.6
337.12085	0.7
338.12820	0.8
339.13593	1.3
340.18057	0.7
344.14005	4.9
344.17419	0.9
345.18442	0.9
354.16202	0.7
356.13861	1.1
357.14569	1.4
358.15506	2.3
359.16309	1.8
360.16965	1.1
368.17822	0.6
369.14615	1.9
370.15408	0.9
371.16330	2.3
372.17053	1.9
373.18137	1.3
374.18832	0.7
386.18759	4.3
387.15903	0.8
388.20410	0.8
393.70575	0.7
400.10425	0.7
400.16467	1.4
401.17264	0.8
414.18057	4.2
416.19839	0.9
432.19205	25.2
433.20035	1.8
442.17645	1.2
460.18689	5.5
492.21301	100.0
493.21542	3.0
573.27020	5.8
601.26398	5.7
633.29486	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2917
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
53.03941	0.8
55.05522	0.9
57.03433	0.5
60.04513	1.7
61.02892	0.5
67.05484	2.7
67.36310	0.5
69.03437	2.4
69.07066	1.5
70.06570	0.6
71.04985	0.7
71.58931	0.6
72.04520	2.8
72.23374	0.6
73.02892	0.5
77.79156	0.6
79.05483	1.8
81.03413	1.1
81.07067	2.7
83.04968	1.8
83.08591	0.6
84.04489	3.2
85.02914	3.4
91.05482	3.5
93.07039	4.5
94.06555	0.8
95.04975	1.5
95.08591	2.2
96.04521	0.7
97.02891	2.9
105.07018	1.4
107.08600	2.1
108.08104	1.0
109.02931	0.5
109.06528	1.0
109.10130	1.8
111.04437	1.1
111.08025	0.6
115.03928	1.8
117.07020	0.7
119.04967	0.5
119.08569	1.9
120.04452	0.6
120.08109	1.0
121.10140	3.5
122.06031	6.5
126.05510	1.2
127.03860	0.8
129.05499	0.6
131.08577	1.5
133.10155	1.2
135.11685	0.7
136.06131	0.6
136.07576	3.3
138.05576	0.6
138.09068	0.5
139.11201	0.7
140.07050	1.1
143.08609	0.6
144.06554	1.6
145.02864	0.7
145.10139	1.0
146.06027	1.5
146.09666	1.1
148.07591	1.0
149.09734	0.8
151.07573	0.7
153.05565	0.5
157.10143	0.7
159.11717	0.6
162.07629	16.7
163.07948	2.5
174.09149	1.2
177.05475	1.0
180.08630	0.8
187.14763	0.6
189.10364	0.6
198.62033	0.6
199.08690	1.1
201.10242	0.7
201.16327	0.7
211.08661	1.7
213.10274	2.7
215.11787	0.8
220.09921	0.6
221.10876	0.5
222.11313	0.5
223.08653	1.0
223.12329	0.8
224.09468	0.7
224.13280	0.5
225.10194	2.3
226.10825	1.0
227.08134	1.7
227.11794	3.0
235.08698	1.5
236.09402	1.2
237.10300	3.4
237.13876	0.7
238.11038	0.8
239.11775	3.2
248.09442	0.9
249.10225	7.1
250.10912	2.7
251.11784	7.6
252.08957	0.8
252.12576	3.1
253.09746	1.4
253.13350	1.9
255.11314	1.0
263.11841	5.3
264.09171	0.9
264.12616	2.2
265.09818	2.0
265.13373	4.3
266.14059	1.8
267.11285	1.2
267.14847	1.0
269.12875	0.9
277.09689	0.7
279.11255	2.9
280.12088	0.6
281.09598	0.9
281.12869	2.2
283.10812	1.0
284.11401	0.8
285.12396	1.4
287.13947	1.6
290.13043	0.5
291.11191	0.9
293.12790	1.4
295.10724	1.4
295.14673	0.8
296.11499	2.5
297.12231	3.5
298.10461	0.7
298.13321	0.6
299.11472	0.7
301.13339	1.1
304.14758	0.5
307.10800	0.7
309.12292	4.0
310.13174	2.1
311.13956	4.6
313.13177	0.8
314.13455	0.6
315.13885	0.7
316.14700	1.6
317.15939	0.7
323.10358	0.7
325.11926	1.3
326.13208	0.7
327.14719	0.7
329.11884	0.6
329.15851	1.1
330.16046	1.5
331.13187	0.7
331.17123	0.7
335.09576	2.0
337.11978	1.1
338.12613	0.7
339.13342	1.6
340.18063	0.7
342.16193	1.2
343.13461	0.8
343.17813	0.7
344.13947	5.9
344.17685	1.4
345.14896	1.1
346.15479	0.8
346.19336	0.7
356.14056	1.7
357.14728	1.6
358.15363	2.7
358.19189	0.7
359.16479	2.5
360.17032	1.3
368.17667	0.8
369.14969	2.1
370.15475	1.7
371.16409	2.0
372.17145	3.7
373.17715	1.1
374.18701	0.7
375.19519	1.3
376.20306	0.8
385.17899	1.2
386.14267	0.7
386.18689	6.3
387.16013	0.9
388.20255	1.5
397.15692	0.8
399.15994	0.9
400.16571	1.2
401.17661	0.8
414.18097	5.8
416.19583	0.8
418.17395	0.8
432.19189	44.6
433.19778	4.2
442.17502	1.2
450.20450	1.2
460.18719	6.6
461.19440	0.7
474.20432	0.8
492.21289	100.0
493.22061	2.8
555.26111	0.8
573.27063	12.0
574.27930	0.6
601.26678	9.4
633.28790	16.3
633.39429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02982	2.8
55.05511	2.3
56.01007	0.7
56.24203	0.8
60.05649	11.6
69.03421	1.3
70.06604	5.2
71.57435	1.0
72.08154	39.2
73.06525	0.8
78.84236	0.7
81.03382	0.7
82.02930	0.9
84.08120	3.5
85.02901	4.4
86.09699	1.9
89.03905	1.4
89.10779	0.9
91.05479	2.0
95.06087	1.0
97.02864	1.8
97.07652	13.1
98.02425	2.6
98.06041	1.7
98.97578	0.6
99.00813	1.0
101.47609	0.8
105.75856	0.6
107.04954	2.7
110.02398	22.7
110.07166	1.2
114.09468	1.5
114.10281	29.6
115.08710	3.0
117.03374	5.8
119.04966	3.2
121.06519	0.8
122.59658	0.6
127.03879	1.3
127.79585	0.6
129.10233	2.4
131.12923	32.0
135.04431	0.8
137.05920	1.6
138.40271	0.6
145.02841	26.1
147.04410	20.6
149.05968	2.0
152.07060	23.3
152.08092	1.2
157.10829	1.2
169.09818	0.8
170.08139	2.6
177.05467	53.2
178.05823	1.0
182.53294	0.7
186.05675	0.9
194.09250	15.8
211.11905	1.2
217.05009	1.2
217.13409	1.4
218.11717	1.5
229.90230	0.7
242.09453	2.6
247.14511	2.3
248.12842	2.6
260.13956	1.4
277.16684	4.1
290.15079	2.5
307.17633	12.8
315.16260	0.7
339.55432	0.8
340.25006	0.7
471.21854	2.6
570.78131	0.9
633.27655	100.0
634.27863	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02982	2.8
55.05511	2.3
56.01007	0.7
56.24203	0.8
60.05649	11.6
69.03421	1.3
70.06604	5.2
71.57435	1.0
72.08154	39.2
73.06525	0.8
78.84236	0.7
81.03382	0.7
82.02930	0.9
84.08120	3.5
85.02901	4.4
86.09699	1.9
89.03905	1.4
89.10779	0.9
91.05479	2.0
95.06087	1.0
97.02864	1.8
97.07652	13.1
98.02425	2.6
98.06041	1.7
98.97578	0.6
99.00813	1.0
101.47609	0.8
105.75856	0.6
107.04954	2.7
110.02398	22.7
110.07166	1.2
114.09468	1.5
114.10281	29.6
115.08710	3.0
117.03374	5.8
119.04966	3.2
121.06519	0.8
122.59658	0.6
127.03879	1.3
127.79585	0.6
129.10233	2.4
131.12923	32.0
135.04431	0.8
137.05920	1.6
138.40271	0.6
145.02841	26.1
147.04410	20.6
149.05968	2.0
152.07060	23.3
152.08092	1.2
157.10829	1.2
169.09818	0.8
170.08139	2.6
177.05467	53.2
178.05823	1.0
182.53294	0.7
186.05675	0.9
194.09250	15.8
211.11905	1.2
217.05009	1.2
217.13409	1.4
218.11717	1.5
229.90230	0.7
242.09453	2.6
247.14511	2.3
248.12842	2.6
260.13956	1.4
277.16684	4.1
290.15079	2.5
307.17633	12.8
315.16260	0.7
339.55432	0.8
340.25006	0.7
471.21854	2.6
570.78131	0.9
633.27655	100.0
634.27863	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
54.82517	0.9
55.01875	3.9
55.05514	8.5
56.05045	1.4
58.99586	10.6
60.04519	1.6
65.03934	1.2
67.05504	8.4
68.05026	1.3
69.03428	3.3
69.07069	11.8
70.02944	1.5
70.06590	3.1
70.77297	2.6
71.04982	2.1
72.04510	3.0
74.00669	3.0
76.02230	32.6
76.04024	2.2
79.05495	9.8
80.05015	2.2
81.03416	3.1
81.07059	17.9
82.06569	1.2
83.04977	3.6
83.06087	4.1
83.08626	5.5
84.04504	16.5
84.08149	1.5
85.01124	1.4
85.02907	1.8
85.04021	1.1
85.06553	1.1
86.00664	0.8
86.09705	2.1
86.99049	3.1
88.02208	1.8
89.62643	0.8
91.05487	8.5
93.07056	8.7
94.06554	1.6
95.04965	3.6
95.08595	6.6
96.04489	1.4
97.01112	3.4
97.02897	2.3
97.06513	3.0
97.10170	5.7
98.06033	0.9
99.04462	0.8
99.05587	1.7
100.02204	1.0
103.05522	1.0
105.07036	6.2
107.04959	3.6
107.06054	1.2
107.08600	7.3
108.04454	1.7
109.02891	1.4
109.06506	3.1
109.10150	3.5
110.06063	1.0
111.02644	1.5
111.04433	2.0
111.08085	1.2
112.02175	4.0
113.00594	3.2
113.77402	0.9
114.03782	2.1
116.01685	15.7
117.07016	3.2
119.04975	1.0
119.08600	5.4
121.06513	1.8
121.10142	5.3
123.01412	0.9
123.02666	1.9
123.04429	1.9
123.08070	3.3
124.02190	5.9
124.07600	1.0
124.11278	0.9
125.04178	1.1
125.09590	4.8
126.03756	3.7
127.02142	1.2
129.06691	2.8
129.10219	0.9
130.04996	6.2
131.04503	1.1
131.08574	3.7
133.10152	3.3
135.02652	1.8
135.08069	3.2
135.11682	2.7
136.02139	1.2
136.06165	4.2
137.04201	1.3
137.09714	1.3
138.03735	1.7
139.02144	0.9
140.01688	1.8
141.04880	1.1
142.03250	4.9
143.08562	2.5
144.01176	5.8
144.06572	1.9
145.06152	3.5
145.10135	2.8
147.08051	1.6
149.09631	2.2
151.05782	1.8
152.01660	2.3
152.05397	1.2
153.06598	1.7
153.12761	3.5
155.08154	1.7
157.10123	1.0
159.08031	1.9
159.11668	1.0
161.09631	3.1
162.02217	16.4
162.03610	1.1
162.07628	17.8
163.11186	2.7
164.10602	0.9
165.07274	1.1
169.06767	1.1
170.02777	2.7
173.09602	1.1
175.05812	0.9
177.03358	3.5
177.05486	1.4
177.07405	2.0
177.08961	0.9
178.12430	0.9
179.04877	15.0
180.08595	1.3
180.96893	0.8
181.06151	1.2
181.12341	1.9
185.03806	3.6
187.05334	3.8
188.03708	1.3
189.11331	1.6
191.05299	1.2
192.08453	3.3
193.06830	2.3
193.12236	2.6
194.09987	4.5
199.07089	1.3
204.13864	1.3
205.06764	0.9
208.11491	0.9
222.09554	1.8
223.08018	1.0
224.11061	2.8
225.09550	1.6
227.12811	3.3
230.12048	1.4
231.04361	7.6
233.05925	9.0
236.11159	2.0
238.12621	1.9
240.10605	3.6
242.12029	2.6
245.06017	2.0
254.12137	3.4
256.13519	1.5
266.12140	3.2
267.45111	0.9
268.13504	1.2
271.16953	1.0
278.12149	4.4
284.13232	1.8
289.17990	8.1
293.15613	1.1
297.12552	2.5
299.14432	1.0
303.05356	1.0
303.13995	1.8
304.05389	2.2
307.19052	5.4
308.09140	5.3
311.14200	5.1
312.12436	0.9
319.17017	1.0
321.15271	10.8
322.20129	0.8
341.15134	0.9
343.13126	1.9
345.14731	2.2
346.18356	8.2
347.16714	4.0
354.10193	1.0
357.14832	11.1
364.19421	23.9
365.17697	7.1
369.14691	3.7
369.90118	0.9
374.17932	1.0
382.20523	8.7
383.18915	1.0
387.15866	2.0
392.18860	3.0
439.22806	1.9
449.21103	3.0
450.19580	1.2
467.22116	23.4
475.16800	1.1
485.23187	100.0
486.23471	2.6
510.22189	1.1
521.23322	2.0
539.24286	1.0
557.25275	9.4
588.34167	1.6
596.26031	1.3
600.25195	1.5
614.35010	1.0
632.27777	2.4
632.35248	1.9
633.07849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01863	0.6
56.05020	0.6
57.03412	1.8
57.70959	0.4
60.04523	7.6
60.05622	1.2
60.39383	0.4
61.02902	2.0
69.03426	6.5
69.27622	4.0
69.28036	1.1
70.06590	4.6
71.04965	0.8
72.08151	5.0
73.02895	0.7
81.03403	2.8
83.04978	0.5
84.04490	1.5
85.02902	21.8
86.09682	1.1
87.04456	0.4
89.03902	1.6
91.03955	0.8
91.05471	0.7
93.11575	0.5
94.30800	0.4
96.04461	1.0
97.02299	0.5
97.02890	8.4
97.07635	1.4
98.06036	1.4
98.21562	1.0
99.04443	1.7
102.05527	0.5
103.03928	0.6
109.02842	2.1
109.86922	0.4
110.02408	0.6
111.04372	0.5
112.07581	0.6
114.05599	0.5
114.10292	12.7
115.08681	3.9
117.03368	5.4
119.04897	0.7
126.05483	0.7
127.03926	5.3
129.10146	0.5
131.12886	2.1
135.04367	0.6
138.10226	0.9
139.08754	0.5
140.07034	1.1
144.06555	2.1
145.02843	32.5
145.04932	2.6
146.03152	0.6
147.04361	1.5
149.05959	3.1
152.07057	1.6
155.12918	2.1
156.11336	1.4
157.09724	0.6
157.10844	1.1
159.00865	0.5
162.07603	1.7
163.03934	0.5
163.06017	0.7
167.06998	0.7
171.96484	0.4
177.05466	82.3
178.05774	1.3
180.08762	0.8
194.09225	0.6
212.21027	0.5
247.14407	4.6
248.12825	4.4
265.15530	1.4
273.55005	0.6
290.15002	6.7
307.17624	11.9
331.17615	1.1
349.18622	1.3
393.82922	0.6
431.18057	0.5
447.13565	0.5
469.22879	2.0
511.23456	0.8
547.73785	0.5
631.28131	100.0
632.28473	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01851	0.8
55.05503	0.8
57.03410	1.9
57.89342	0.5
59.04976	0.6
60.04522	6.5
60.05627	1.8
61.02897	1.7
69.03426	8.8
69.49940	1.1
69.50352	3.6
70.03729	0.5
70.06596	2.8
71.01356	0.7
71.04967	1.2
71.35513	0.5
72.08158	7.3
73.02934	2.5
79.05475	1.1
80.05035	0.5
81.03416	2.8
81.07031	1.2
84.04478	2.1
84.05583	0.7
84.08157	0.9
85.02905	21.7
86.09698	1.0
87.04458	0.9
88.03985	3.2
89.03893	1.4
89.10760	1.2
91.03940	0.8
91.05494	2.6
92.05777	0.7
93.07048	5.2
94.07369	1.2
95.04956	1.1
95.08615	2.4
96.04465	1.9
96.08909	1.0
97.02883	10.0
97.07648	1.0
98.06033	1.5
99.04456	0.8
101.02370	0.6
103.03946	0.6
105.07036	0.9
107.08555	1.3
108.08922	0.8
109.02868	2.3
114.10291	16.1
115.03932	1.4
115.08677	2.2
117.03366	6.6
119.08575	5.4
120.08891	2.0
121.10113	1.6
122.02701	1.7
123.04427	0.5
127.03925	5.6
127.05777	0.7
129.10217	0.6
131.12915	3.4
135.04475	0.9
135.08023	1.1
137.09598	0.8
138.10172	0.6
139.08659	0.5
144.06549	1.9
145.02844	35.6
145.04924	3.1
147.04411	3.0
147.08034	1.9
148.08348	0.9
149.05977	2.0
155.12885	1.4
156.11304	2.8
157.10852	0.9
162.07576	2.1
163.03889	0.5
163.06047	0.6
165.09126	2.5
166.09425	1.9
177.05467	83.0
178.05856	1.1
180.08614	1.0
183.10129	1.2
186.05479	1.0
199.07979	0.8
217.08902	1.2
218.09338	0.6
232.12193	0.6
247.14445	2.3
248.12836	3.4
265.15524	1.4
288.09616	0.6
290.15015	6.4
304.12173	4.5
305.12436	6.4
306.12204	0.8
307.17624	11.4
331.17682	1.0
342.13910	0.7
349.18686	2.1
424.24762	0.5
453.18503	0.5
467.17798	0.6
469.22900	3.2
477.72556	0.6
511.24054	1.8
516.79291	0.5
631.28180	100.0
632.28644	4.6
647.31403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.276
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56748	1.3
67.05505	1.2
68.04999	1.2
69.07054	4.3
77.55975	1.1
79.05492	1.8
81.03422	1.3
84.04443	1.5
91.05495	2.7
91.27991	1.0
93.07056	1.1
94.06564	7.2
95.04973	2.0
97.02872	2.4
98.20696	2.5
99.93240	1.1
108.08122	2.2
112.07652	1.4
115.03948	1.0
116.05009	1.0
122.06030	21.6
123.04417	1.8
134.06004	2.8
136.06186	3.8
136.07567	1.3
140.07063	43.8
144.04428	4.0
146.06018	13.3
148.07568	2.9
152.07066	1.6
162.05489	2.7
162.07562	1.7
172.03937	21.4
174.05498	18.0
176.07045	7.3
190.04976	4.4
191.05783	2.4
192.06549	3.2
197.10762	3.2
199.12280	3.0
204.06555	39.4
204.08479	2.1
206.08133	13.7
212.09056	1.3
214.10936	1.4
224.09325	1.4
225.10237	6.3
226.08456	1.2
227.11803	14.4
237.10295	2.9
239.11760	4.2
241.09608	2.1
251.11748	3.7
253.09654	3.3
261.12347	1.8
265.09689	3.7
267.11273	2.1
269.12814	12.9
271.10794	4.9
279.10995	1.2
283.10828	13.1
284.11490	6.0
285.12357	6.8
286.13120	1.3
287.13885	36.1
291.11423	1.3
295.10672	1.4
297.12354	4.1
300.11301	1.2
301.12061	3.0
312.15256	1.7
313.11765	35.1
314.12650	1.7
315.13708	3.0
316.14462	7.4
323.10312	2.1
326.16522	1.2
328.14417	2.7
329.11618	2.5
329.15137	1.9
330.12387	3.1
330.15958	6.8
331.12839	15.1
331.16788	8.3
339.13641	1.3
340.14645	1.5
341.15356	1.5
342.12292	7.2
343.13055	3.8
344.14069	1.4
344.17542	7.4
345.14484	18.5
346.14694	1.1
355.13895	1.6
356.13898	4.9
357.15146	2.4
358.15414	9.2
359.16754	1.2
363.15335	2.3
370.11359	1.9
370.15503	4.3
371.16556	2.2
372.16901	4.6
382.11685	2.6
383.12531	2.4
384.13336	13.9
385.14063	4.7
386.14584	5.1
386.18884	2.8
388.16650	2.1
390.18094	5.6
396.17450	1.3
398.14853	16.2
399.15778	24.9
400.16562	33.4
402.14145	2.5
412.16266	2.0
414.18082	6.3
415.18719	2.7
416.16022	2.8
417.16858	9.0
418.17587	10.0
430.17700	3.0
431.18246	1.5
440.16046	3.6
441.17004	1.3
444.15631	2.6
458.17108	42.1
459.17770	26.0
460.18463	5.1
490.19522	7.0
491.20551	2.8
555.26038	2.0
557.23462	4.2
581.23901	7.4
599.24988	100.0
600.24988	3.7
631.27649	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2023
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
50.80025	0.6
53.03931	2.0
54.18343	0.7
55.01857	1.2
55.05498	2.2
55.31221	0.7
57.03434	1.4
66.66944	0.7
67.05490	2.4
68.99784	1.2
69.03415	5.0
69.07065	1.3
70.06599	3.9
71.04962	1.8
71.57915	1.3
71.87244	0.7
72.08154	1.3
74.36391	0.7
75.04459	0.8
79.05501	6.3
81.03426	6.6
81.07040	2.7
83.04984	1.1
83.65382	0.7
84.04481	1.3
84.08116	1.7
85.02914	4.2
86.09704	2.0
91.05478	8.9
91.21758	0.8
93.06478	1.6
93.07045	27.4
95.04959	3.1
95.08600	1.8
97.02894	3.1
105.07012	5.4
107.04933	1.2
107.08595	6.1
109.02867	3.1
109.10158	1.9
111.08072	1.1
114.10283	1.3
119.04957	1.9
119.08574	4.4
121.02886	1.8
121.10143	29.9
122.10492	0.7
123.04422	0.8
123.08052	1.3
123.11675	0.8
127.03919	3.7
129.07037	1.0
131.08551	2.7
133.06454	1.0
133.10152	1.4
135.04384	1.0
136.06146	5.1
137.02332	8.2
137.05983	3.1
139.11142	1.2
145.02838	2.1
145.04948	1.0
145.10115	0.9
147.04393	5.0
149.09608	9.9
153.01833	3.8
157.10101	1.3
163.03922	2.3
165.01868	2.1
167.07005	2.2
167.10680	2.9
177.05447	4.5
183.02922	1.2
195.11412	0.8
201.05556	1.7
207.06534	1.4
229.04932	4.1
236.68967	0.8
257.04382	2.5
274.04535	1.0
285.03842	1.0
287.05450	1.0
287.10291	2.4
293.13828	3.1
299.10440	1.0
303.04987	100.0
304.05298	2.3
311.14886	1.6
315.04968	23.4
315.08655	1.3
325.10245	0.9
327.05075	1.1
345.05945	0.9
355.04739	1.0
444.80472	0.7
451.13904	1.3
587.29199	1.0
631.26367	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	630.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45960	1.0
53.03931	1.6
53.53456	0.8
55.01879	4.5
55.05487	1.3
60.04512	1.0
61.02905	1.6
65.03889	1.1
66.53973	0.9
67.05499	5.1
69.03421	6.9
69.07086	1.0
70.02964	1.6
70.06577	3.7
70.82601	1.9
70.82944	1.0
72.08123	2.5
73.02921	13.9
79.05492	9.6
81.03398	2.8
81.07056	9.6
83.04965	1.5
84.04509	1.3
84.08146	1.7
85.01121	1.4
85.02902	9.6
86.09648	1.1
88.03989	30.1
91.05476	26.2
93.07035	53.2
95.04957	3.7
95.07993	1.1
95.08598	22.5
96.04424	1.0
97.02888	3.0
99.02658	1.8
103.05502	1.5
105.06520	0.9
105.07035	10.3
107.04884	1.6
107.08582	13.8
109.02822	1.7
109.06505	2.2
109.10158	6.7
111.04434	1.2
115.03930	3.2
117.06987	6.3
119.08569	62.0
121.06526	1.0
121.10132	22.0
122.02711	20.4
123.04458	1.5
123.08074	2.5
124.49623	0.9
125.04190	3.4
125.09639	1.1
127.03907	2.1
127.05778	8.2
129.07025	1.9
132.01161	2.0
135.08032	12.5
136.07542	0.9
137.09572	7.0
145.02843	2.1
146.02654	0.9
147.04387	2.3
147.06940	1.9
147.08040	28.1
147.09219	1.5
151.05783	3.0
153.07254	1.8
153.09074	7.9
165.09102	34.1
177.05469	6.9
179.05240	1.8
181.06836	2.5
183.10144	14.0
197.06282	2.6
199.07848	7.3
215.07439	1.6
217.08925	12.9
286.11087	2.0
287.09399	5.7
303.04971	2.9
304.05194	3.5
304.12115	100.0
305.05618	3.0
305.12656	1.0
306.05603	2.7
322.13071	1.5
382.13434	1.2
430.15054	1.3
448.16373	2.6
466.17169	7.0
532.78534	1.1
630.26471	1.2
631.28271	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	629.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58928	0.4
67.05462	0.5
70.25941	1.8
78.11443	0.5
79.05456	0.7
91.05467	0.5
93.06997	0.5
104.57854	0.6
119.08495	0.5
188.46851	0.6
410.13522	1.2
411.14490	2.3
423.14789	1.0
424.15201	2.5
425.16019	6.2
426.16702	3.6
427.17694	2.4
437.16080	1.7
438.17191	2.4
439.17953	10.9
440.18445	9.5
441.18994	2.2
442.20047	1.3
451.13287	0.7
451.18317	0.7
452.14197	5.2
453.15448	36.2
454.15662	3.6
454.20163	4.3
455.20837	48.0
456.21466	3.5
466.16074	3.3
467.16968	38.9
468.17575	11.4
471.16891	1.4
473.21841	0.7
480.18039	0.6
481.18549	8.9
482.19183	49.1
483.20065	4.2
484.16754	1.1
485.18213	1.9
494.18784	1.0
495.20599	2.4
499.19736	1.0
500.20340	1.6
509.21619	1.7
513.21411	1.4
514.21594	1.4
523.21600	1.1
526.22144	1.7
527.22968	0.9
528.23688	4.2
540.19971	0.8
541.24982	4.5
542.24939	0.6
553.21936	3.0
554.21490	1.5
569.23944	100.0
570.24084	5.6
597.23016	1.5
600.22577	3.0
601.26648	5.2
614.23059	0.7
629.25806	77.8
630.25848	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	629.2238
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
60.39421	1.4
67.05476	1.3
67.87193	1.3
69.51334	10.3
81.07048	1.5
89.99765	1.3
93.07020	1.5
111.08102	1.5
133.10190	1.3
145.25243	1.4
173.15782	1.2
219.90659	1.3
317.20157	1.3
323.54568	1.6
396.12610	1.7
397.13196	3.5
410.13803	4.3
411.14545	8.8
412.15259	4.9
413.16165	4.9
423.14642	2.8
424.15802	2.9
425.16168	15.6
426.16821	11.6
427.17725	4.1
428.18460	4.3
438.12769	3.7
439.13577	22.6
440.18604	6.1
441.19333	39.6
442.19818	2.5
452.14920	4.8
453.15210	23.3
454.15561	6.3
467.17218	29.3
468.17984	18.9
469.18958	9.9
470.19913	1.4
471.16528	1.7
481.14584	9.1
482.15921	2.5
484.20956	4.0
485.18274	2.0
495.17068	1.9
496.17184	15.0
497.17868	2.5
498.19269	1.8
500.20538	4.7
512.20398	1.9
513.21063	2.8
537.18793	1.8
541.20862	49.3
542.21423	2.3
553.21368	1.7
569.20313	100.0
570.20520	10.9
573.23346	2.4
597.19836	30.7
601.23102	14.3
629.22241	62.7
630.22601	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	628.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.7
55.05500	3.1
57.03429	7.0
61.02924	5.2
67.05499	18.4
69.03420	1.4
69.07059	6.6
69.77779	1.3
69.78197	2.9
70.06587	3.4
71.04958	2.2
72.08147	0.8
73.02901	2.6
79.05489	11.3
81.03413	2.3
81.06586	1.5
81.07054	27.6
83.04956	2.8
83.08622	5.7
84.04511	1.2
84.08114	1.2
85.02903	8.6
85.06535	1.8
86.09694	2.9
91.03952	4.3
91.05476	6.5
93.07037	20.6
94.07335	0.8
95.04971	1.1
95.08591	7.0
95.97634	0.7
97.02889	4.3
97.06542	3.8
97.10182	0.9
97.32603	0.7
99.08095	0.8
104.76811	0.7
105.07013	2.3
107.08594	11.2
109.06485	0.9
109.10147	1.8
110.07113	0.8
111.08092	3.9
115.90466	0.7
117.06998	3.2
119.08571	1.7
120.04449	1.2
120.08099	2.5
121.10139	8.8
123.11729	1.2
124.03921	0.8
125.09650	0.8
127.03873	1.9
131.08578	3.7
133.10110	2.9
135.08054	0.9
135.11693	3.8
137.05994	1.2
139.11194	1.1
140.07042	1.1
145.02863	1.4
145.04935	1.6
147.04384	1.4
147.07986	1.0
147.11700	1.6
149.05946	0.8
149.13249	16.7
159.11723	5.9
161.05988	1.0
163.06030	2.4
167.07016	2.3
175.03911	1.0
175.07439	0.8
175.36794	0.7
177.05447	2.6
177.12729	3.4
181.04912	1.5
195.13805	5.1
204.06744	1.2
207.06554	1.4
222.44147	0.7
269.17465	100.0
270.17889	1.1
271.40570	0.7
303.05017	0.8
431.22690	2.5
532.33698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.01873	3.3
55.05506	10.6
56.05023	2.2
57.03431	16.7
57.98768	2.7
58.99582	20.0
67.05499	16.7
69.03423	2.7
69.07064	4.4
70.98534	5.1
71.04985	6.7
75.04474	3.8
76.02225	82.4
79.05483	13.1
80.05011	2.6
81.03415	5.4
81.07055	25.8
83.04978	27.1
83.06089	9.6
83.08606	3.8
84.04500	25.3
85.02901	7.4
85.06550	5.9
86.99055	5.2
88.05032	1.9
91.05477	21.1
93.05766	5.3
93.07037	24.1
94.06511	2.4
94.27921	1.9
95.04966	11.6
95.08596	14.6
96.04478	2.3
97.01105	2.5
97.02892	4.8
97.06536	2.4
99.02648	3.2
105.07022	14.4
107.04971	15.7
107.08567	10.0
109.06506	9.9
109.07671	2.5
109.10159	3.6
109.85698	1.9
111.04440	24.5
111.08097	2.2
112.02186	3.0
112.52769	2.1
113.05994	3.9
114.03773	3.0
116.01682	27.9
117.07017	7.1
119.08598	11.6
121.06516	4.2
121.10141	7.2
122.10516	2.8
123.04438	2.3
123.08053	3.7
124.02134	3.6
125.05951	3.5
126.03738	52.2
126.05465	11.3
127.04507	4.3
128.05319	4.3
129.05522	4.3
129.06715	6.3
130.04999	6.3
131.08556	12.1
133.06487	6.5
133.10144	9.8
135.08054	8.9
135.11682	6.1
138.05495	8.6
138.06520	2.0
139.08549	2.5
139.83821	2.2
140.01640	2.5
140.05275	6.2
141.04814	5.4
142.03142	10.2
142.13290	2.2
143.08508	6.0
144.01144	12.6
145.06424	7.0
145.10138	6.3
147.04434	2.4
147.08031	8.7
147.11656	3.7
149.09641	4.0
149.13251	5.9
155.08301	3.6
157.10126	2.9
159.08089	5.9
159.11636	10.1
161.09647	7.8
162.02206	33.6
163.11191	5.0
164.05260	2.3
168.06590	3.4
170.02718	6.8
171.11687	5.0
173.09532	3.1
175.11249	2.1
177.03305	2.4
177.12698	12.7
179.04849	51.8
179.14279	2.1
183.11832	2.3
185.03867	5.8
187.05383	15.5
187.11078	2.5
187.14819	2.8
189.12759	2.6
204.08615	17.8
205.15910	4.1
209.15390	2.5
215.04935	3.2
215.14256	3.4
218.67166	2.0
229.06419	7.2
231.04369	6.4
233.05910	68.8
233.15306	5.3
243.08115	5.9
243.17436	2.4
245.05969	4.0
261.18561	7.0
271.16891	8.1
289.17996	29.0
290.08136	3.1
291.06442	5.7
303.19531	24.2
308.09119	33.0
321.20624	8.0
335.16730	12.0
346.18393	4.8
360.19980	3.7
374.17899	3.9
378.20950	31.1
403.19974	2.0
463.22607	75.2
481.23657	100.0
482.23816	3.0
553.25879	21.6
556.19818	2.4
628.28784	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	628.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
55.01862	4.9
55.05508	2.4
57.03448	3.9
59.04992	13.2
61.02913	3.9
64.42257	2.0
66.39290	2.1
67.05495	6.1
67.57915	2.2
68.99801	2.7
69.03431	23.7
69.95667	12.5
70.06580	8.2
71.04996	7.5
72.26044	2.1
73.02901	4.5
79.05482	7.3
79.87694	2.2
81.03418	14.3
81.07056	30.2
83.08623	2.7
84.04490	2.9
85.02905	100.0
87.00820	19.8
87.04450	8.9
91.05479	10.4
93.07043	50.9
95.01309	5.6
95.04976	6.4
95.08629	2.9
97.02890	20.7
98.20715	2.8
99.04478	3.4
103.03986	2.5
105.01869	25.2
105.07024	17.3
107.08568	7.4
109.02878	14.0
109.06505	5.3
109.10163	3.3
110.07140	2.5
111.08092	34.5
111.08853	2.9
113.02444	2.2
121.10156	11.2
123.04432	2.1
123.11711	10.2
127.03915	32.2
129.01848	5.3
133.10089	18.7
137.02386	2.4
141.01811	16.3
145.04947	9.8
151.11186	36.9
159.02867	8.3
167.06978	2.6
169.12230	70.6
177.05501	6.4
184.07346	2.5
187.13268	26.0
189.03923	5.0
199.06050	2.2
208.30980	2.4
209.08028	5.0
231.05008	9.3
249.06107	5.4
261.05939	2.7
273.06174	2.5
285.06161	2.8
303.04834	3.9
319.04385	10.8
320.04807	10.9
403.64465	2.1
613.35370	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
55.01870	10.9
55.05511	34.9
57.03427	8.6
57.07081	4.2
57.34483	2.6
65.03946	4.0
67.05505	100.0
69.03425	4.5
69.07066	27.1
69.84931	10.7
69.85363	3.7
71.04996	7.3
71.08634	2.7
79.05495	79.2
79.05953	4.2
81.03414	4.1
81.07057	95.7
83.04967	10.7
83.08636	16.9
85.02922	2.5
85.06576	4.6
86.65575	2.6
91.05478	52.1
93.07041	64.3
95.04958	13.4
95.08603	62.6
95.09170	4.5
97.06525	17.7
97.10160	11.2
98.21428	3.6
100.54592	2.2
105.07032	46.2
107.04931	11.8
107.08587	40.7
109.06525	9.4
109.10171	28.0
111.08095	3.7
117.07027	17.0
119.08586	38.2
121.06532	4.9
121.10144	31.2
123.08062	3.6
123.11719	10.7
123.12501	2.3
125.09643	7.1
128.06255	3.4
129.07014	9.5
131.08572	27.8
131.29987	2.6
133.10138	29.2
135.08051	6.3
135.11691	16.5
137.09657	6.1
143.08565	8.2
145.10115	24.8
147.11676	23.2
149.09653	14.7
149.13255	9.8
151.11145	3.1
155.08516	5.6
157.10185	11.0
159.11702	15.4
161.13284	12.7
163.11177	6.2
163.14871	3.5
165.12798	4.3
169.10170	7.0
171.11668	7.1
172.50328	2.6
173.11855	4.0
173.13177	13.9
175.11147	3.5
175.14813	3.3
177.12686	3.3
181.10104	3.7
183.11836	5.7
185.13283	4.1
187.14821	5.2
189.11134	4.8
189.12711	4.2
192.38144	2.7
193.12209	3.0
195.11751	2.6
197.13251	4.5
201.16457	3.7
210.65938	2.3
227.12791	5.6
229.19632	3.4
239.17862	5.4
243.21002	3.2
247.20634	3.7
257.19040	10.2
259.20523	3.1
261.22168	10.1
275.20111	47.0
277.21680	5.1
293.21097	3.6
335.25751	29.0
349.23868	16.0
436.68961	2.5
515.37311	3.8
529.38678	3.1
535.41052	3.4
609.26300	3.9
609.45038	27.6
627.46204	39.1
628.27014	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01870	23.5
55.05509	54.7
57.03439	12.3
57.07078	3.2
59.04979	3.0
65.03963	4.4
67.05502	100.0
69.03433	3.2
69.07066	42.1
71.04996	6.2
73.82862	3.1
79.05492	85.9
81.03397	3.7
81.07053	91.9
83.04973	8.7
83.08617	19.6
83.51236	2.3
85.06539	4.5
91.05482	65.4
93.07043	73.1
95.04948	12.1
95.08602	69.7
97.06526	28.9
97.10172	17.1
98.20771	8.8
99.08105	4.7
103.05503	3.8
105.07027	62.3
107.04941	21.0
107.08587	68.0
107.09305	4.5
109.06517	6.3
109.10152	39.8
111.08075	5.8
113.70000	2.3
117.07003	23.8
119.08572	45.2
121.06474	4.5
121.09299	4.3
121.10130	34.6
123.08051	3.9
123.11700	17.5
125.09641	15.8
125.56644	2.6
128.06216	3.8
129.07018	10.2
131.08560	37.8
133.10130	40.1
135.08040	6.1
135.11693	27.1
137.09613	3.3
139.11162	2.5
141.07014	2.9
143.08559	19.6
145.10129	38.7
146.10271	2.6
147.11688	25.7
149.09602	33.0
149.13248	10.9
153.09021	3.8
155.08560	6.2
157.10114	16.1
159.11685	25.2
161.09581	3.1
161.13213	16.7
163.11191	12.2
163.14803	4.9
165.09117	2.6
167.08487	2.7
169.10165	8.2
169.12283	3.4
171.11674	15.3
173.11887	5.0
173.13245	24.1
175.14874	4.8
177.12775	4.3
179.14326	3.5
181.10103	3.9
183.11729	11.0
185.13252	14.9
187.11224	3.3
187.14847	8.7
189.11226	9.0
189.16496	3.2
192.84119	2.4
195.11702	4.9
197.13278	10.1
199.14835	8.5
201.16467	4.5
211.14772	5.2
213.16359	5.8
227.12718	15.9
229.19543	5.2
239.17923	5.0
243.15938	2.7
243.20992	3.2
247.20462	3.6
257.18927	13.1
259.20645	5.4
261.22150	5.5
275.20062	69.0
277.21594	3.9
285.22092	3.7
293.21118	9.4
331.22665	2.8
333.24164	2.9
335.25787	55.6
336.25690	2.6
349.23666	24.0
367.29984	5.5
383.33411	3.3
431.31967	3.5
505.35474	3.8
515.37268	7.2
517.40259	4.7
523.09827	2.7
535.41284	7.6
609.45038	61.7
627.46503	53.4
628.46783	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	627.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01870	15.4
55.05513	35.3
57.03433	8.6
57.07069	4.3
65.03949	3.4
67.05503	82.1
68.04556	1.9
69.03418	4.3
69.07069	28.5
69.88728	13.2
71.04980	6.0
71.08643	3.5
79.05492	73.5
81.03415	8.1
81.07056	100.0
83.04985	8.1
83.08611	16.3
85.06556	5.2
86.29393	1.9
91.05482	54.2
93.07043	67.5
95.04960	14.1
95.08603	58.0
96.08916	2.2
97.06541	19.6
97.10152	11.4
99.04485	2.4
99.08086	4.3
103.05413	2.9
105.07037	51.9
107.04986	13.1
107.07882	3.4
107.08587	43.4
109.02892	3.1
109.06525	8.4
109.10170	30.9
111.08096	6.0
115.05444	2.9
116.78983	1.8
117.07002	19.0
119.08578	45.1
121.06503	2.8
121.10143	29.7
123.08062	5.2
123.11674	14.0
125.09630	11.3
127.03957	4.3
129.07011	9.1
130.07848	2.2
131.08565	29.6
133.06509	2.5
133.10126	35.6
135.08080	5.6
135.11703	21.1
137.09621	5.1
141.07045	2.4
143.08582	9.0
145.10133	30.9
147.11685	26.6
149.09593	20.0
149.13237	8.9
151.11232	5.0
155.08528	5.1
157.10149	10.7
159.11714	19.7
161.09676	2.5
161.13266	8.7
163.11208	10.4
163.14799	2.8
165.09157	1.9
165.12700	4.5
169.10124	8.9
171.11627	11.2
173.13298	10.1
177.12737	4.7
179.14229	2.5
181.10098	2.4
183.11717	8.0
185.13303	8.1
187.13292	4.4
187.14842	6.1
189.11246	3.8
191.32468	2.3
195.11777	2.5
197.13254	4.0
199.14795	5.5
201.12701	2.1
209.13321	3.0
211.14839	5.0
227.12817	9.2
229.19633	2.8
239.17978	4.7
241.19533	3.4
247.20688	3.5
257.19113	11.6
259.20578	4.6
261.22189	6.9
267.16095	3.7
275.20078	59.0
277.21582	4.6
287.20142	2.2
293.21216	7.4
315.23145	2.1
317.24664	3.9
335.25787	36.9
349.23773	22.1
349.27740	3.1
367.30099	2.7
441.34073	3.7
464.65262	2.4
515.36951	5.2
517.40143	4.5
529.38666	8.3
535.41333	8.5
553.42090	4.2
591.43781	3.6
609.45111	41.7
627.36774	3.6
627.46173	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03412	2.1
53.03933	4.2
55.01870	19.4
55.05510	43.3
57.03427	11.1
57.07066	4.8
65.03922	4.1
67.05502	100.0
69.07070	29.0
70.98393	5.2
70.98763	4.4
71.04975	7.2
71.08628	2.9
77.03818	2.2
79.05066	4.4
79.05492	70.2
81.03411	6.0
81.07053	86.1
83.04975	8.7
83.08625	18.5
91.05477	56.2
93.06474	4.5
93.07043	75.5
95.04967	16.1
95.08598	56.8
97.06527	25.0
97.10173	15.6
99.08126	3.5
103.05461	4.0
105.07032	50.4
107.04951	17.6
107.08590	49.4
109.06509	8.6
109.10161	33.2
111.08066	5.4
114.47467	2.4
117.06995	23.7
119.08581	43.8
121.06474	3.6
121.10155	34.4
123.08036	4.3
123.11691	10.2
125.09627	10.1
129.06999	11.1
131.08562	28.3
133.06485	3.5
133.10118	31.6
135.08102	3.8
135.11711	18.3
136.80844	2.6
142.07825	2.7
143.08530	10.2
145.10133	29.8
146.19202	2.4
147.11711	22.7
149.09627	25.1
149.13303	6.8
153.09058	3.4
155.08521	6.6
157.10057	8.8
159.11700	24.7
161.13234	11.8
163.11186	12.9
163.14786	4.0
166.86578	2.8
169.10123	6.4
171.11725	13.3
173.11890	3.1
173.13260	13.7
175.14847	5.6
177.12733	4.5
177.16319	2.4
181.10060	2.9
183.11623	3.9
185.13274	8.5
186.87088	2.7
187.11220	2.5
187.14790	7.5
189.11191	6.1
189.16240	2.9
195.11714	2.9
197.13283	5.9
199.14825	6.8
201.16350	4.2
209.13368	2.7
211.14787	4.6
213.16376	4.7
227.12770	11.0
229.19505	3.6
239.17883	3.9
241.19478	3.0
247.20535	3.2
257.18991	6.7
259.20514	3.0
261.22098	6.1
264.50638	2.5
275.20093	52.1
293.21152	6.6
333.24246	4.7
335.25763	41.5
349.23706	20.4
367.29654	5.9
446.82294	2.6
515.37164	5.4
517.40540	4.2
524.18671	2.8
529.38965	4.6
535.41132	4.0
553.42365	4.2
609.45117	51.8
627.46210	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	627.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69610	0.8
55.05504	1.3
57.67247	0.8
63.51343	0.7
63.51703	0.8
67.05506	3.3
69.07076	1.0
69.29260	1.0
69.29593	9.5
79.05501	2.3
81.03447	0.8
81.07060	3.2
83.04962	1.0
83.09130	0.8
91.05485	3.3
93.07060	2.5
95.04968	1.1
95.08602	1.4
97.87305	0.9
105.07034	1.9
107.08610	1.5
108.08138	0.8
109.10161	1.0
112.18053	0.7
117.06965	0.9
119.08606	1.8
121.10143	0.9
131.07344	1.4
132.08023	0.9
133.10074	1.3
136.07629	1.5
144.08128	1.2
157.10118	1.0
160.11203	0.8
163.81963	0.7
172.09946	0.9
174.09212	3.9
187.12325	4.9
188.10757	3.1
197.10803	1.1
199.08792	1.0
200.09271	1.1
211.08739	1.3
213.10361	1.4
215.11877	3.3
223.08545	1.0
224.09500	1.3
225.06747	1.2
225.10210	4.2
227.11931	2.4
228.66057	0.8
229.09779	1.0
235.08640	1.5
236.09354	1.2
237.10092	0.9
239.11882	2.8
241.13512	2.5
243.11304	26.7
249.10229	1.8
251.11821	2.0
253.09789	2.6
265.13376	0.9
267.11206	5.7
271.10880	0.9
277.09827	2.3
283.14548	1.0
285.12479	2.6
291.11130	1.3
295.10797	3.2
301.15561	1.3
305.11584	0.8
309.12177	1.8
314.12854	1.2
316.10724	1.5
316.14502	0.9
319.10849	1.5
325.15451	12.3
327.13333	4.1
328.10748	3.5
328.14465	1.6
329.11700	2.1
330.12384	3.3
330.15906	1.0
331.13205	1.0
334.15567	1.3
342.12524	4.2
342.16116	1.3
343.13120	4.0
344.13824	3.7
345.15042	1.6
346.11786	0.9
346.15643	1.9
348.13483	5.4
355.13821	1.1
356.13943	4.1
357.14810	1.6
358.15543	2.9
359.16370	1.2
370.11658	1.5
370.15750	1.4
371.16757	1.3
372.17099	4.9
374.14926	1.2
380.45676	0.9
385.17990	1.1
386.14914	2.8
386.19232	1.7
388.16620	1.2
400.16660	2.6
403.15765	1.8
405.17654	1.0
407.15149	1.3
418.18069	1.4
419.18839	1.7
420.16684	1.2
421.16940	1.2
422.18088	1.2
431.18643	1.3
432.19528	4.6
434.13507	1.4
434.19580	0.9
435.14346	2.0
437.19882	1.9
447.17490	1.4
447.22806	1.4
448.15421	1.8
449.15768	1.7
450.16156	1.5
451.17471	1.7
452.22479	1.2
460.18951	2.4
461.23233	2.8
462.24246	2.9
463.21249	3.6
465.18860	17.2
473.20203	1.2
474.21048	1.2
477.19360	3.0
478.19980	2.8
479.20740	8.0
480.21518	4.5
481.22235	4.2
489.22888	2.3
490.23450	1.0
491.20801	1.2
492.21384	3.0
493.23199	3.9
504.21390	1.2
505.19730	1.0
507.24222	4.9
508.20996	2.3
517.22241	1.9
535.23425	9.3
539.26392	1.0
549.24908	18.4
553.24866	2.5
567.26025	89.7
568.26392	1.6
577.24683	3.1
595.25513	100.0
596.26013	1.8
627.28094	41.7
640.06750	0.9
643.72302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2808
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05487	1.5
67.05495	1.7
70.10303	3.6
70.10725	1.8
79.05486	1.6
81.07069	1.6
91.05473	1.8
93.07022	1.3
95.08604	1.5
107.08556	1.2
113.71133	0.9
118.06431	1.1
119.08601	1.4
120.04485	1.2
121.10141	1.3
122.06042	1.6
130.06535	1.0
131.07291	1.9
132.08073	0.9
136.07547	1.4
144.08073	1.2
158.09697	1.4
170.09651	0.9
172.11287	1.0
174.09154	4.9
186.09129	1.6
187.08717	1.8
187.12273	5.7
188.10745	3.9
197.07004	1.2
197.10860	1.4
202.96536	1.0
207.08997	1.1
211.08772	2.3
212.09415	1.6
213.10240	1.0
215.11842	3.9
224.09460	2.3
225.10297	3.9
227.11844	2.9
235.08557	1.3
237.10393	1.5
239.11816	3.4
240.12454	1.0
241.13423	3.5
243.11279	28.0
249.10258	2.5
251.11835	1.8
252.08960	1.3
253.09775	2.3
263.11627	1.1
265.09863	1.6
267.11288	7.6
269.12885	2.2
277.09708	3.3
285.12430	4.1
291.11346	1.8
293.13022	1.1
295.10764	3.8
299.13934	2.1
300.11469	1.8
300.14938	1.6
301.12378	1.3
301.15451	4.5
309.12534	2.3
313.12344	2.2
314.12857	2.8
316.11087	2.1
316.14560	1.1
318.12427	1.5
319.10739	1.5
325.15607	8.9
327.13510	8.6
328.11044	2.0
328.14444	1.7
329.11700	2.0
330.12415	5.1
330.16003	2.0
332.14053	1.3
334.15622	1.5
340.11337	1.5
342.12393	4.3
343.13284	3.8
344.13959	4.4
345.14798	1.5
346.15656	2.6
348.13431	3.0
351.13574	1.3
354.12009	1.3
355.13159	2.1
356.13925	4.1
357.14719	1.7
358.11755	1.5
358.15610	4.3
359.16287	1.2
360.17297	1.1
362.14825	1.1
370.11505	1.4
370.15570	2.9
372.13025	1.3
372.16986	5.2
384.17505	1.3
386.14536	1.5
386.18982	2.0
398.15060	1.8
400.16507	2.1
403.16376	2.1
408.15970	1.4
412.16547	1.3
415.15961	1.1
417.16910	1.7
418.17349	1.2
421.16757	2.0
422.17728	1.1
430.17828	1.6
431.18527	2.7
432.19141	3.5
433.20050	2.3
434.18051	1.3
435.13818	1.9
435.18997	2.0
436.20154	1.4
437.20428	2.4
444.19275	1.7
447.22507	1.9
448.21872	1.2
449.15549	1.9
450.16208	1.6
451.16901	2.2
460.18362	2.3
461.23514	3.0
462.24069	4.3
463.21878	4.8
465.18985	13.6
472.18924	1.2
479.20834	5.8
480.21881	4.6
481.15869	1.2
481.22510	2.7
489.22778	1.5
490.20898	1.6
492.21744	4.5
493.23184	4.5
495.16400	4.6
504.21005	5.0
507.23911	4.9
508.21472	1.2
517.22522	1.6
520.20831	1.2
521.25165	1.5
535.23285	6.8
537.21539	1.3
549.25055	16.3
553.24084	3.5
554.24133	1.1
563.22925	1.3
567.18683	8.6
567.26080	91.3
568.26447	3.0
577.24316	3.9
595.25458	59.7
596.26086	1.7
627.28088	100.0
628.20294	4.6
628.29956	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2813
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05524	0.5
65.16397	0.3
67.05511	1.0
69.77658	1.2
69.78069	0.8
79.05491	0.9
81.07066	1.1
83.04919	0.3
84.44520	0.3
91.05480	1.1
93.07064	1.5
95.04973	0.5
95.08636	0.4
105.06995	0.5
107.08584	0.5
117.07059	0.3
119.08646	0.8
121.10136	0.9
130.38524	0.3
130.96216	0.3
131.08560	0.3
133.10165	0.4
137.06023	0.4
152.33640	0.3
159.11757	0.3
212.49458	0.4
213.36783	0.3
247.95584	0.3
344.14240	0.4
356.13989	0.5
377.17596	0.5
378.18582	0.4
379.19278	0.9
379.90744	0.3
390.18353	0.5
391.19330	1.1
392.20255	0.4
393.21170	1.6
405.16736	2.2
406.17343	1.6
406.22357	0.6
407.18408	0.9
407.22726	3.8
418.17896	0.6
419.18555	3.9
420.19434	2.0
421.16159	0.4
421.20386	4.8
423.21982	1.3
432.19418	0.7
433.20291	4.0
434.21265	4.4
435.22079	6.2
436.22858	1.3
447.21790	1.3
448.18784	0.6
449.19675	8.1
450.20187	0.4
461.23956	0.5
462.20432	0.6
463.20874	2.6
464.22174	2.1
465.18646	0.5
465.23843	0.5
466.24069	0.4
467.24274	0.9
468.25226	0.4
476.22446	0.4
477.23236	0.6
479.20233	2.0
480.21558	0.5
481.22192	2.5
493.22070	1.7
494.23236	2.9
495.23813	3.6
507.24203	9.4
509.25922	0.9
510.26358	0.8
521.21838	1.0
525.25171	0.4
526.25775	0.5
535.23962	0.5
536.24359	0.5
537.24854	0.5
539.22363	2.3
549.24817	1.4
553.24463	0.8
567.26117	18.8
568.26709	0.6
581.24799	0.4
596.25946	0.5
627.28131	100.0
628.28632	1.8
648.68951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01860	8.7
55.05499	10.9
57.03423	2.4
67.05502	27.9
69.07069	14.3
70.24770	10.7
71.08658	2.6
71.92152	2.4
78.98121	2.2
79.05498	20.6
81.07056	31.4
83.04965	4.5
83.08594	3.3
91.05489	22.0
93.07043	18.5
95.04946	8.1
95.08604	19.5
97.06544	12.1
99.08083	7.0
105.07031	20.2
107.04943	5.7
107.08575	9.9
109.06546	4.7
109.10189	6.2
117.07014	5.3
119.08591	18.2
121.10100	9.3
131.08569	9.2
133.10092	9.5
135.11685	8.9
143.08563	4.0
145.10144	8.2
147.08038	2.9
147.11679	6.1
149.09602	3.9
151.11186	3.3
157.10028	4.2
159.11714	5.6
161.13275	3.9
163.11151	4.7
171.11665	4.2
179.14279	12.5
183.11688	2.4
195.13721	2.4
213.10150	3.3
273.18411	3.4
275.20020	11.1
277.21606	9.6
291.19598	10.1
292.20044	3.7
293.20892	3.1
335.25674	7.6
349.23795	3.5
353.17627	3.3
365.17432	3.1
397.20334	6.9
409.20236	4.0
410.20865	3.4
411.21832	6.7
412.22885	3.0
421.19687	3.5
425.19666	8.1
439.21243	8.4
440.22165	4.9
454.24213	3.6
496.24738	3.5
497.26331	16.6
498.26154	5.4
515.38202	3.1
525.24725	3.6
526.25684	3.5
541.28271	12.5
583.29376	17.2
584.26074	14.1
585.27081	100.0
586.26886	4.2
609.44824	8.8
626.45093	2.9
627.28290	43.0
627.45374	19.7
640.72229	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05522	1.7
57.03430	3.7
60.04538	1.0
62.44442	0.8
65.03944	1.1
67.05502	2.2
67.72134	0.9
68.99818	1.0
69.03429	2.3
69.07066	1.7
70.06595	8.1
71.04993	26.2
71.58064	1.5
72.04530	1.0
72.08167	1.5
73.02907	1.3
75.04465	1.0
79.05490	2.6
81.03419	1.6
81.07043	1.9
82.88126	0.8
83.05003	1.2
84.04521	3.7
84.08122	3.9
85.02907	29.7
86.09706	2.6
87.04475	1.0
87.05590	0.8
91.05468	5.0
93.07053	3.5
95.04977	2.5
95.08612	1.1
97.02890	3.2
102.04702	1.5
103.05459	2.4
105.07042	2.7
107.04958	2.1
107.08599	1.3
109.02885	1.0
109.06496	1.0
109.10153	1.1
115.03958	1.4
115.05480	1.1
119.04943	2.7
120.04485	2.4
121.06506	1.4
121.10173	2.4
123.04411	2.3
124.05173	0.9
126.06956	0.8
129.05481	5.9
129.10272	2.6
130.04147	3.2
130.05022	1.3
131.04916	6.5
132.05763	1.3
133.02869	5.7
133.06476	1.4
135.04422	1.8
136.05266	1.9
136.07587	2.2
137.02409	1.3
137.06003	6.4
138.05475	1.9
145.02856	1.3
145.06483	1.5
146.03598	1.8
147.04402	6.2
148.05226	4.0
149.06023	3.3
150.06767	2.3
151.07559	1.1
153.01826	6.1
157.04858	1.2
161.06000	2.3
162.06659	6.5
163.03967	1.0
163.07597	1.0
164.31602	0.7
165.05614	1.2
166.13748	0.8
167.07054	13.9
172.43657	0.7
173.06117	2.0
175.06155	0.8
177.05522	3.2
179.03307	0.9
181.04988	2.2
201.05457	1.5
209.08125	1.0
213.05750	0.9
217.04965	4.3
229.04971	4.5
237.05385	0.9
238.88361	0.7
242.05820	2.0
245.04449	5.5
257.04443	14.5
258.05225	3.2
265.79254	0.9
269.04489	1.9
273.03915	8.9
274.04581	1.6
277.14825	0.8
285.03940	5.4
286.04651	9.0
287.05289	4.2
297.03894	1.0
301.03461	11.0
301.06708	1.4
302.04184	7.5
303.04892	8.4
311.05585	1.9
313.03369	3.9
315.04971	1.8
317.06589	6.0
327.04999	1.9
329.06772	1.0
339.04877	3.8
357.06384	1.7
391.08215	1.1
403.08127	2.1
417.15485	3.4
418.16052	1.4
431.07736	5.7
447.10812	6.6
448.07919	1.1
451.10153	4.2
463.10193	10.2
465.11856	33.3
466.12051	1.0
474.55011	0.9
481.11316	100.0
482.11771	3.2
659.46405	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
55.05502	1.7
56.05018	0.8
57.03438	4.3
59.05009	0.8
61.02922	0.8
65.03958	1.0
67.05488	2.7
68.99784	1.3
69.03410	2.7
69.07070	1.1
70.06582	3.5
71.01337	0.8
71.04993	25.8
71.58163	1.6
72.04504	1.3
73.02913	2.0
74.83095	0.8
75.04487	1.2
75.27373	0.8
77.25240	0.8
79.05488	2.9
81.03407	2.2
81.07044	2.9
83.04970	1.5
84.04496	2.7
84.08138	3.1
85.02904	29.3
86.09682	1.9
87.04456	0.7
91.05478	5.2
93.07053	5.0
95.01302	1.1
95.04963	2.3
95.08607	1.8
97.02879	3.6
97.06529	0.9
102.04658	2.1
105.07013	3.3
107.04969	1.4
107.08561	1.8
109.02876	1.0
109.06490	1.0
109.10165	1.2
111.04448	1.9
117.03366	0.9
117.06957	1.3
119.04945	2.9
119.08578	3.3
120.04462	1.7
121.06497	2.3
121.10140	4.1
123.04434	0.9
124.05235	1.0
126.05529	1.3
129.05478	6.7
129.06931	0.8
130.04131	4.3
131.04935	6.3
131.08580	1.2
132.05693	1.5
133.02844	2.2
133.06436	1.5
133.10153	0.9
135.04433	1.1
137.05972	6.3
138.05472	1.2
145.02798	1.7
145.06546	1.2
145.10118	1.0
147.04370	7.3
147.06435	1.0
147.08012	2.0
148.05170	2.3
149.05986	2.2
149.09624	1.7
149.45222	1.1
151.03882	1.2
151.07500	1.1
153.01852	8.7
161.05968	1.8
162.06691	7.9
163.07382	0.9
164.65007	0.8
167.07050	17.9
173.06007	1.7
175.03966	1.0
177.05479	2.8
179.03343	1.5
179.07047	0.8
180.76302	0.9
181.04918	3.4
189.96094	0.9
193.08492	1.0
201.05347	1.0
203.03336	0.9
207.06523	1.7
209.08145	1.3
217.05002	6.5
229.04958	2.9
235.07370	1.0
237.05502	0.9
238.06207	1.8
241.05099	0.8
245.04507	5.6
249.05490	1.9
257.04443	1.8
267.06555	0.9
273.03873	9.7
285.03961	4.1
287.05341	0.8
299.05533	1.6
301.03342	7.0
302.04120	4.3
303.05017	3.0
311.05362	2.3
313.03455	2.0
317.06485	4.2
327.05063	2.3
336.60635	1.0
339.05063	5.5
357.06320	2.4
375.08643	1.2
403.08246	1.5
417.15353	6.8
431.07645	7.1
451.09955	1.9
463.09930	3.0
464.85022	0.8
481.11310	100.0
482.11752	5.8
583.30548	2.0
627.29999	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	627.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05492	1.6
57.03431	0.8
60.04524	1.2
61.02924	7.6
63.88414	0.9
64.87560	0.8
67.05507	1.2
68.03378	0.8
69.03419	3.1
70.06596	12.4
71.05027	0.9
72.08155	3.0
73.02901	2.7
75.23051	0.8
81.03418	2.6
84.04492	3.0
84.08158	5.0
85.02909	12.3
86.09673	5.5
91.03950	6.7
91.05475	2.4
95.04948	1.4
97.02920	4.7
98.06017	1.0
98.21552	1.7
102.05528	1.1
105.06967	0.9
107.04928	1.3
110.07166	1.5
111.04433	1.3
116.07066	1.1
120.08100	2.2
121.02852	4.0
124.03929	1.0
127.03903	2.8
129.05479	1.0
129.10246	2.3
131.04922	3.1
136.07605	1.7
137.02301	4.8
137.05984	5.0
138.06345	1.4
145.04900	1.9
147.04401	2.2
153.01909	4.3
163.03841	2.0
163.05965	1.6
165.01781	1.6
167.07076	1.0
173.05954	1.6
175.04054	1.0
175.07549	1.5
181.04964	1.3
183.02921	1.7
184.07339	3.9
193.12106	0.9
201.05457	2.1
229.04961	5.4
239.07091	1.1
257.04529	2.7
279.10410	1.0
279.24872	1.0
284.12463	0.9
285.03979	1.5
287.05432	3.5
299.05536	14.1
299.08875	1.1
300.09402	1.9
303.04993	100.0
314.11490	3.0
315.04956	5.7
315.11780	3.7
319.04581	10.1
333.12747	1.7
345.06049	2.3
361.02383	2.0
369.06000	3.1
377.01614	1.9
379.03314	1.3
382.49585	1.0
415.86575	1.0
439.03760	1.0
447.21335	2.0
457.89682	0.9
465.10254	3.1
567.21869	1.0
627.27148	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05492	1.6
57.03431	0.8
60.04524	1.2
61.02924	7.6
63.88414	0.9
64.87560	0.8
67.05507	1.2
68.03378	0.8
69.03419	3.1
70.06596	12.4
71.05027	0.9
72.08155	3.0
73.02901	2.7
75.23051	0.8
81.03418	2.6
84.04492	3.0
84.08158	5.0
85.02909	12.3
86.09673	5.5
91.03950	6.7
91.05475	2.4
95.04948	1.4
97.02920	4.7
98.06017	1.0
98.21552	1.7
102.05528	1.1
105.06967	0.9
107.04928	1.3
110.07166	1.5
111.04433	1.3
116.07066	1.1
120.08100	2.2
121.02852	4.0
124.03929	1.0
127.03903	2.8
129.05479	1.0
129.10246	2.3
131.04922	3.1
136.07605	1.7
137.02301	4.8
137.05984	5.0
138.06345	1.4
145.04900	1.9
147.04401	2.2
153.01909	4.3
163.03841	2.0
163.05965	1.6
165.01781	1.6
167.07076	1.0
173.05954	1.6
175.04054	1.0
175.07549	1.5
181.04964	1.3
183.02921	1.7
184.07339	3.9
193.12106	0.9
201.05457	2.1
229.04961	5.4
239.07091	1.1
257.04529	2.7
279.10410	1.0
279.24872	1.0
284.12463	0.9
285.03979	1.5
287.05432	3.5
299.05536	14.1
299.08875	1.1
300.09402	1.9
303.04993	100.0
314.11490	3.0
315.04956	5.7
315.11780	3.7
319.04581	10.1
333.12747	1.7
345.06049	2.3
361.02383	2.0
369.06000	3.1
377.01614	1.9
379.03314	1.3
382.49585	1.0
415.86575	1.0
439.03760	1.0
447.21335	2.0
457.89682	0.9
465.10254	3.1
567.21869	1.0
627.27148	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01860	0.7
57.03431	2.0
58.22261	0.2
59.59426	0.2
60.08159	0.3
61.02921	2.7
65.56795	0.2
68.99785	0.4
69.03427	7.3
69.79459	1.2
70.06580	0.7
71.04973	0.7
72.08138	0.4
72.58414	0.2
73.02908	1.4
81.03410	2.3
83.01346	0.2
85.02901	17.4
86.09705	1.3
87.04469	1.1
91.03970	1.2
91.05492	0.4
93.03376	0.3
95.04974	0.2
97.02293	0.3
97.02885	5.6
99.04465	1.2
101.02359	0.3
103.03928	0.6
104.10754	0.5
109.02870	2.2
111.00786	0.8
111.04471	0.2
120.08121	0.2
121.02864	0.8
123.04430	0.2
125.00003	0.8
127.03904	4.4
137.02325	3.0
137.05940	0.4
145.03058	0.2
145.04950	3.4
146.57770	0.2
147.04396	0.3
149.02327	0.4
153.01813	3.5
155.04868	0.3
161.05948	0.3
163.03889	0.6
163.06094	0.2
163.07495	0.2
165.01834	1.8
168.39574	0.2
173.05949	0.4
183.02892	0.9
183.04350	0.2
184.07310	3.7
185.07680	0.7
187.03952	0.4
201.05460	1.7
217.05040	0.4
219.02945	0.3
229.04935	3.6
247.06023	0.8
257.04434	2.9
273.03973	0.3
274.04630	1.0
275.05380	0.4
285.03894	1.8
297.52896	0.2
297.56198	0.2
302.04187	1.0
303.04968	100.0
304.05276	0.6
315.04977	0.5
319.04581	1.4
327.04965	0.5
328.49078	0.2
345.06094	1.8
447.09787	0.2
465.10321	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	627.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01859	0.8
57.03433	2.0
60.08162	0.3
61.02928	2.0
62.28877	0.3
65.03938	0.3
68.99780	0.5
69.03427	6.9
69.96346	1.4
70.06590	1.5
71.01347	0.4
71.04975	1.0
72.08154	0.4
73.02913	1.5
81.03416	2.9
84.04492	0.4
84.08127	0.8
85.02903	19.2
86.09714	1.5
87.04461	1.4
89.07134	0.7
91.03952	0.9
91.05486	0.4
93.03423	0.3
93.07028	0.5
95.04978	0.3
97.02891	5.6
99.04413	1.3
101.02355	0.4
103.03936	0.4
104.10753	0.3
105.07019	0.5
105.11046	0.3
107.08548	0.4
109.02898	2.0
111.00804	0.9
115.03947	0.3
119.04916	0.5
121.02855	1.3
121.10167	0.4
123.04411	0.3
124.99989	0.8
127.03911	4.3
135.04408	0.3
137.02324	3.0
145.04933	2.9
147.04382	0.6
149.02383	0.6
149.74588	0.3
152.10817	0.2
153.01825	3.9
161.05962	0.5
163.03897	0.9
163.07413	0.3
165.01840	2.2
173.05960	0.4
183.02892	0.9
183.04391	0.4
184.07370	3.3
185.07675	0.6
195.02982	0.4
198.25810	0.2
201.05479	1.3
217.05006	0.3
228.04178	0.2
229.04919	4.1
247.06024	0.7
257.04425	2.8
274.04712	0.8
285.03922	1.3
302.04248	1.3
303.04977	100.0
304.05374	1.7
315.04871	0.3
327.05054	0.5
345.05963	1.5
465.10376	8.2
532.96448	0.3
627.26331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.01872	0.4
55.73363	0.1
57.03423	0.6
61.02919	0.8
66.77534	0.1
68.99788	0.5
69.03427	2.4
70.06571	0.2
70.11209	0.6
71.04984	0.3
72.08147	0.4
72.90547	0.1
73.02908	0.4
81.03415	1.2
84.08139	0.2
85.02904	6.6
86.06054	0.4
87.04456	0.4
91.03960	0.2
93.03387	0.2
95.04971	0.3
97.02886	2.3
99.04459	0.2
107.04976	0.2
109.02876	0.9
111.00807	0.8
117.03289	0.2
121.02838	0.9
123.04423	0.2
127.03928	1.2
137.02332	3.5
145.02864	1.0
145.04956	1.1
145.06471	0.2
149.02339	0.4
149.05992	0.2
153.01816	3.4
163.03911	0.4
165.01816	1.9
166.02634	0.3
173.05946	0.3
177.05486	1.9
183.02948	0.9
183.04265	0.2
187.03835	0.3
191.03343	0.2
195.02899	0.3
201.05447	1.5
205.04990	0.2
219.03131	0.1
219.06580	0.3
229.04951	4.6
247.06015	0.8
257.04437	2.5
274.04773	0.9
275.05423	0.2
285.03897	1.2
303.04974	100.0
304.05255	1.4
307.17557	0.2
315.04965	0.2
345.06317	0.2
446.18555	0.2
453.23331	0.3
463.18158	0.5
465.10287	4.6
466.10294	0.2
535.48846	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	627.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49029	0.1
53.03945	0.4
55.01863	0.4
57.03423	0.5
60.84805	0.1
61.02934	1.1
65.03900	0.2
68.99796	0.5
69.03078	0.2
69.03430	2.4
69.62562	0.3
69.62956	0.9
70.06586	0.4
71.04979	0.4
72.08148	0.1
73.02914	0.3
73.13564	0.1
81.03415	1.3
83.01334	0.2
84.08154	0.2
85.02907	6.3
87.04468	0.2
91.03901	0.3
91.73696	0.1
93.03378	0.3
95.04968	0.2
97.02895	2.3
99.04440	0.3
102.05600	0.1
109.02875	1.1
111.00803	0.7
121.02894	0.8
123.04410	0.3
126.05493	0.2
127.03906	1.2
135.04402	0.2
137.02350	3.1
137.03409	0.3
145.04956	0.9
145.05951	0.1
147.04398	0.2
149.02350	0.4
153.01828	3.0
156.43953	0.1
161.05951	0.1
163.03865	0.6
165.01865	1.7
166.02628	0.3
167.03400	0.2
173.05959	0.3
177.05377	0.3
183.02888	0.7
183.04323	0.2
187.03990	0.2
194.29247	0.1
195.02963	0.2
201.05460	1.2
205.04930	0.3
207.02910	0.2
215.03503	0.1
219.03040	0.2
219.06572	0.2
228.04149	0.2
229.04965	4.0
247.06131	0.7
257.04443	2.5
274.04770	0.7
275.05325	0.2
285.03940	1.3
287.60358	0.1
302.04108	0.2
303.04987	100.0
304.05328	1.4
319.04501	0.4
345.06122	0.2
465.10303	4.7
627.21954	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19814	0.4
55.01854	0.6
55.05501	1.6
56.05018	1.5
58.06592	4.1
59.07370	2.7
60.08162	15.3
61.02910	0.6
65.03951	0.4
67.05498	1.2
69.03423	0.8
69.07042	0.6
69.52791	3.5
70.06595	3.4
70.38042	0.3
71.07375	5.6
72.08152	1.1
73.02919	0.6
79.05492	1.5
81.03401	1.4
81.07069	2.1
82.06586	0.4
83.04960	0.6
83.08589	0.7
84.04480	0.7
84.08136	1.2
85.02905	0.9
86.00647	0.5
86.09702	46.6
91.05466	1.6
93.07034	1.7
95.01340	0.8
95.04961	0.8
95.08593	0.7
95.40312	0.4
97.02867	0.9
98.20850	0.7
98.21469	0.9
98.98470	4.5
100.07623	1.0
100.11240	2.1
103.05443	0.6
104.02544	0.4
104.10741	93.4
105.07039	1.0
105.11060	0.7
106.02887	0.7
107.08564	0.5
109.02892	0.5
109.06489	0.5
110.07198	0.5
111.04472	0.7
119.04949	0.7
119.08560	0.6
120.08109	0.4
121.06548	0.5
121.10132	1.0
123.04362	0.6
124.03937	1.9
125.00002	25.7
126.00385	0.4
127.03894	0.4
128.07112	0.8
129.05457	0.5
131.08537	0.7
136.07544	0.5
137.05962	1.8
143.01080	0.6
145.02783	0.6
147.04405	0.9
147.11642	0.5
160.05080	0.6
161.05995	1.1
167.07059	0.7
175.07578	1.0
176.23212	0.4
177.05496	1.8
182.15384	1.3
184.07336	100.0
185.58763	0.4
187.07462	0.9
189.09042	0.8
210.14949	1.8
211.15239	0.6
219.07962	0.6
219.09970	0.5
222.08882	1.3
226.08426	0.5
238.08496	0.9
244.20189	0.4
249.11217	4.8
256.09521	1.5
258.11093	1.4
287.05591	2.2
288.05893	1.3
294.11014	0.6
294.14893	0.5
303.04648	0.5
308.12378	0.6
312.12000	2.7
317.06656	0.6
318.06842	0.6
326.13531	0.7
408.21301	1.0
433.22491	0.7
434.23096	1.7
450.21487	2.0
451.23294	15.6
452.24039	11.0
608.24615	4.0
625.42700	0.5
626.25659	31.8
626.42450	1.2
627.26202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.2
56.05015	0.6
56.84103	0.2
58.06359	0.3
58.06617	0.7
59.07375	0.2
60.08162	6.4
61.02922	0.2
66.02998	0.2
69.03445	0.2
69.62144	1.5
70.06596	0.3
71.04995	0.6
71.07371	3.1
72.08147	0.2
73.38305	0.2
76.02205	0.2
77.03837	0.2
81.03404	0.3
81.07034	0.4
84.04511	0.3
85.02910	1.1
86.09704	31.6
91.05476	0.4
93.07037	0.4
95.01317	0.2
95.40749	0.2
97.02882	0.2
98.98459	3.2
104.10738	3.7
125.00002	21.4
137.05952	0.3
137.52466	0.2
143.01048	0.4
166.07233	2.1
167.05708	0.2
167.07025	0.2
177.05499	0.3
184.07336	100.0
185.07693	0.9
249.11234	0.3
258.11182	0.4
303.04834	0.5
317.06601	1.3
318.06860	1.7
411.42068	0.2
451.23218	2.5
452.23956	1.3
486.87390	0.2
608.24371	0.8
626.25751	7.2
627.26245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.1
53.03897	2.9
55.01819	5.1
55.05457	24.7
57.03379	3.4
57.07046	1.1
59.04960	1.1
60.61227	0.7
61.16497	0.7
65.03888	3.1
67.05504	51.1
67.05828	3.0
69.03427	11.5
69.07066	29.1
69.07416	1.5
71.04928	2.9
79.05492	52.5
79.05918	1.7
81.03419	4.0
81.07055	50.3
83.04974	5.5
83.08629	7.4
85.06495	1.4
91.05479	34.1
93.07043	46.8
95.01279	0.7
95.04970	12.6
95.08604	29.0
97.02888	9.4
97.06526	5.2
97.10162	9.5
98.20782	1.4
103.05418	1.4
105.04463	1.7
105.07032	23.9
107.04948	7.4
107.08590	24.6
109.06522	7.9
109.10160	13.6
111.04394	1.8
111.08027	3.1
115.05405	1.9
117.07010	11.7
119.04880	1.6
119.08573	18.8
121.06484	3.8
121.10144	16.3
123.04398	1.0
123.08079	4.4
123.11626	2.3
125.09634	7.4
128.06186	1.8
129.07034	6.0
130.07715	1.3
131.08565	14.4
133.06395	3.1
133.09256	0.8
133.10141	10.6
135.08069	3.9
135.11696	9.2
137.09544	2.3
141.06993	1.2
142.07687	1.3
143.08560	6.3
145.09082	0.8
145.10110	11.4
147.08060	6.7
147.11667	5.6
149.09534	1.5
149.13232	5.9
151.11113	1.2
153.09097	0.8
153.12669	0.9
155.08511	1.4
157.10141	4.5
159.08037	1.5
159.11691	6.6
161.09583	2.7
161.13197	2.6
163.11133	1.6
163.14792	1.2
165.09021	2.2
167.08479	0.6
169.10033	2.1
169.12190	0.9
171.11626	2.1
173.11795	1.1
173.13208	3.0
175.11163	1.4
175.14804	2.0
177.12752	1.8
179.14279	0.8
181.10097	1.0
183.11694	1.6
185.13187	2.3
187.11076	1.0
187.14714	1.3
189.11249	4.7
195.11679	0.9
195.13708	2.2
199.14668	0.9
201.16364	0.8
205.12195	2.9
209.13177	1.3
211.14709	1.5
213.16400	1.0
223.11188	1.0
223.13307	19.0
225.16278	0.9
227.12759	1.6
227.17773	1.2
243.21111	0.9
245.18951	1.6
249.14854	2.3
255.17462	1.5
259.20313	0.7
261.22202	2.7
273.18481	14.1
275.20004	1.2
277.21597	1.1
291.19534	100.0
292.19931	1.7
317.24622	1.1
333.24176	0.8
335.25800	2.9
347.22134	1.2
363.25372	1.2
365.23172	2.0
381.31732	1.2
533.39648	1.0
607.43921	2.6
614.98975	0.8
625.44690	57.7
626.45044	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06716	2.2
51.02387	1.8
53.03935	4.2
55.01862	7.5
55.05271	2.3
55.05512	33.8
56.83500	1.6
57.03423	6.8
57.07049	2.7
59.04988	2.4
60.89336	1.8
63.28238	1.7
63.69476	1.7
64.17839	1.9
65.03947	2.4
67.05503	53.0
69.03434	2.4
69.07066	24.8
71.04980	3.9
79.05495	37.9
81.03438	2.5
81.07056	52.2
83.04984	2.3
83.08611	18.5
85.06523	3.3
91.05479	39.3
93.07039	33.1
95.04961	6.8
95.07994	2.1
95.08600	33.6
97.06540	12.2
97.10152	13.2
103.05457	2.4
105.07028	34.4
107.04939	3.0
107.08582	26.1
109.06531	4.0
109.10159	18.8
111.08100	3.2
115.05445	3.3
117.07014	18.7
119.08575	24.3
121.10126	10.6
123.08113	3.3
123.11716	10.1
125.09639	9.0
126.87496	1.9
128.06216	7.3
129.07001	16.8
130.07814	2.1
131.08548	26.0
133.10129	17.1
135.08109	2.8
135.11714	8.7
141.06987	5.8
142.07800	6.1
143.08557	20.5
145.10123	26.0
147.08060	2.4
147.11700	10.2
149.09621	3.9
149.13240	6.1
154.07878	2.0
155.08549	16.1
156.09305	2.6
157.10112	21.9
159.11665	16.9
161.13255	4.6
162.60287	1.9
163.11214	2.4
165.06876	2.1
167.08562	7.7
169.10124	21.0
170.10956	2.0
171.11693	17.9
173.09488	2.3
173.11877	3.1
173.13206	10.2
175.14841	3.9
179.08519	3.9
181.10153	10.0
182.10808	2.3
183.11674	20.2
185.13260	13.3
187.13319	4.0
187.14851	8.9
193.10187	3.9
195.11653	10.7
197.13271	14.0
199.14777	10.5
201.16359	4.5
205.10065	2.1
207.11710	4.1
209.13327	11.2
211.14737	9.9
213.16487	3.6
215.17892	2.6
221.13222	5.8
221.15280	2.2
223.14835	7.6
225.16476	6.4
227.12773	5.7
227.17929	3.9
229.19608	2.8
235.14914	3.1
237.16446	4.9
239.18005	8.4
241.16164	2.1
241.19490	4.1
243.15857	3.6
249.16475	2.6
251.18013	2.4
253.19646	2.8
257.19058	3.6
259.20581	5.2
268.99994	2.2
273.18610	3.9
275.20117	8.5
307.20715	2.5
339.23151	3.1
347.22339	2.3
349.23975	3.9
363.26855	2.7
365.28387	11.5
379.30115	3.5
381.31726	5.2
383.29422	4.1
403.30026	2.1
421.31107	5.4
439.32166	5.4
496.36472	2.2
513.35883	22.2
515.39246	9.8
533.39862	10.5
537.37512	2.3
551.41107	6.2
567.40002	2.1
589.42841	4.5
607.43506	44.9
608.43469	3.9
625.44592	100.0
626.45001	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	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.7
55.01874	33.8
55.05507	35.8
57.03434	8.9
57.07071	4.0
65.03942	4.3
67.05502	89.2
69.07068	77.8
69.29333	30.2
69.29736	4.8
71.04978	3.9
71.32623	3.0
79.05489	58.1
81.03426	6.7
81.07055	83.2
83.04996	9.7
83.08633	17.5
84.88218	2.8
85.06554	6.8
91.05482	68.7
93.07039	59.6
94.06023	4.0
95.01373	4.6
95.04977	15.5
95.08605	62.9
97.06528	47.3
97.10191	6.5
98.20715	5.8
99.08120	3.3
105.07033	74.1
107.04974	18.8
107.08591	36.1
109.06506	7.5
109.10161	22.3
111.08090	5.1
117.07011	31.6
119.08575	47.3
121.06519	5.2
121.10148	23.1
123.08061	8.0
123.11716	5.1
125.09651	5.5
128.06261	6.3
129.06989	21.6
131.08568	45.3
133.10121	44.7
135.08102	6.3
135.11662	15.7
137.09674	5.0
141.07024	10.6
142.07805	6.3
143.08578	35.6
144.09285	3.4
145.06500	4.2
145.10115	41.1
147.08040	3.5
147.11702	27.1
149.09619	10.4
149.13286	9.0
153.06929	3.2
155.08534	20.0
156.09378	3.4
157.10110	27.0
159.11690	34.2
161.13219	20.7
163.11183	9.2
167.08594	8.9
169.10194	20.6
171.11673	25.9
173.13266	17.4
175.11177	4.3
175.14865	10.4
177.12845	5.9
179.14320	5.2
181.10182	10.7
183.11693	19.7
185.09630	3.4
185.13240	19.3
187.14847	9.7
189.12817	3.9
193.10201	3.4
195.11716	12.1
197.13326	13.3
199.11320	3.0
199.14844	11.8
201.16333	4.4
207.11742	6.6
209.13251	9.1
211.14844	11.0
213.16470	9.0
215.18027	5.3
217.15985	3.5
223.14796	5.8
225.16406	6.5
231.21088	5.5
237.16415	5.4
239.17975	8.9
241.19473	15.5
251.17790	3.7
257.19135	10.8
259.20566	18.7
263.17703	3.8
265.19611	3.4
271.20630	6.2
273.18622	6.3
273.21854	3.0
275.20071	39.2
295.24213	3.4
308.13297	3.3
315.23328	4.3
333.24380	15.2
335.23685	3.9
339.27097	3.1
349.23694	22.7
419.33154	5.1
421.31088	4.2
435.32571	9.3
437.34195	16.8
445.30408	3.0
475.33908	3.2
493.36630	3.5
501.35574	4.1
509.36731	5.7
511.37747	15.9
513.35760	14.5
515.38867	8.5
527.37567	9.5
529.38989	8.1
533.39862	12.3
551.41370	16.2
555.37268	3.8
597.45361	4.6
607.43494	58.4
608.43579	3.6
625.44611	100.0
626.45526	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	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70618	1.6
53.03947	3.9
53.57611	1.5
55.01866	14.1
55.05266	2.5
55.05511	40.0
57.03437	7.9
57.07080	3.8
57.82333	1.5
59.04987	1.7
65.03936	3.6
67.05502	63.5
69.03426	3.4
69.07068	34.4
69.55146	1.6
71.04990	5.9
79.05489	44.5
81.07053	59.1
82.55457	1.5
83.04980	6.5
83.08618	21.3
83.59921	1.6
85.06545	4.0
91.05475	41.3
93.07037	49.2
95.04962	8.3
95.08601	42.5
95.09167	3.4
97.06512	14.3
97.10182	12.8
98.21532	2.9
99.08080	2.9
105.06319	2.4
105.07024	46.4
107.04987	2.7
107.08587	33.5
109.06527	4.2
109.10154	22.4
111.08083	4.6
113.09638	2.1
115.05507	3.0
115.21388	1.7
117.07022	23.8
119.08569	36.7
121.06544	2.1
121.10132	20.7
123.08050	2.9
123.11710	10.9
125.09629	14.6
128.06270	7.1
129.07013	20.6
130.07828	3.2
131.08556	32.6
131.09520	2.3
133.10129	25.1
135.08090	6.5
135.11679	10.0
137.09628	2.7
141.06998	10.0
142.07777	6.6
143.08556	30.4
144.09320	2.2
145.10112	30.2
147.08066	2.5
147.11674	16.6
149.09653	5.6
149.13235	3.1
151.11214	3.4
153.06915	2.5
153.09084	1.7
154.07727	2.3
155.08549	19.8
156.09277	2.7
157.10123	28.4
159.11685	23.2
161.09637	3.5
161.13232	9.0
163.11162	3.5
165.07013	3.0
165.12753	2.5
167.08604	7.3
168.09386	2.8
169.10143	20.0
171.11664	21.5
173.09532	1.8
173.11877	3.5
173.13226	17.9
175.11153	2.8
175.14838	4.6
177.12784	2.2
179.08630	4.3
181.10129	12.8
182.10977	3.2
183.11703	23.6
185.13283	15.0
187.13350	4.0
187.14854	7.6
189.11229	6.2
189.12856	2.3
193.10201	6.5
195.11726	12.7
197.13275	16.3
199.11166	2.3
199.13252	2.0
199.14775	10.0
201.16389	3.0
207.11708	5.3
209.13237	10.9
211.14828	10.1
213.16431	5.9
215.18045	2.5
221.13312	5.4
221.15401	2.3
223.14809	9.2
225.16394	7.0
227.12836	5.6
227.18011	3.2
229.14365	2.0
235.14816	4.0
237.16359	6.9
239.18022	5.0
241.19615	6.2
243.15939	2.6
249.16420	2.0
253.19612	2.3
257.19131	3.6
259.20657	6.5
265.19620	2.4
271.17267	2.1
271.20593	2.3
273.18655	3.6
275.20071	9.9
279.21234	2.0
285.22321	2.5
291.19608	2.2
309.22247	3.5
311.23752	2.3
313.21790	1.7
315.23343	3.3
333.24387	3.4
335.19522	1.7
337.25281	1.9
337.28818	1.8
339.23190	2.4
349.23895	7.6
355.26175	2.3
365.28601	6.3
379.30170	2.5
381.31787	3.4
383.29428	2.1
389.28171	2.1
395.29471	2.5
403.29724	2.3
407.29147	1.7
413.10632	1.9
421.31161	5.4
439.32208	4.1
501.35574	3.4
513.35730	28.4
515.38916	8.1
527.37488	2.5
533.39972	12.1
551.40765	8.4
553.38770	3.5
558.42981	1.7
589.42493	2.2
597.45142	2.2
607.43524	39.2
625.44568	100.0
626.45184	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
55.01870	10.9
55.05511	33.9
57.03429	7.8
57.07074	2.9
59.05010	2.1
65.03929	3.4
67.05505	60.0
69.07066	25.1
69.34798	20.2
71.04990	4.8
79.05495	43.7
81.07056	56.5
82.32873	2.3
83.04984	7.1
83.08625	18.4
85.06541	3.0
91.05475	38.6
93.07047	45.3
93.94597	2.0
95.04975	7.3
95.08611	37.3
97.06516	13.5
97.10175	12.7
99.08088	3.0
105.07030	39.7
107.04964	5.8
107.08601	29.6
109.06515	4.4
109.10152	16.4
111.08082	2.7
115.05457	4.6
117.07008	18.2
119.08585	36.6
119.09361	3.1
121.10134	18.2
123.08101	2.7
123.11725	9.1
125.09622	11.2
128.06261	4.3
129.07002	20.7
131.08572	29.5
133.10126	24.0
135.08078	3.4
135.11731	11.5
141.06996	7.7
142.07800	4.0
143.08569	22.8
145.06557	2.8
145.10123	25.6
147.11670	17.5
149.09663	4.9
149.13258	6.3
153.07166	2.3
154.07838	2.4
155.08559	17.0
156.09398	3.0
157.10141	22.2
159.08089	2.4
159.11708	23.6
161.13248	9.9
163.11153	3.0
163.14841	3.0
164.71428	2.2
166.07805	3.2
167.08607	6.4
169.10109	18.4
170.91069	2.2
171.11700	17.1
173.13278	12.5
175.11227	3.0
175.14911	6.7
177.12756	2.5
179.08517	3.3
181.10117	10.2
183.11720	20.5
185.13228	14.3
187.13295	4.2
187.14845	6.4
189.11240	3.7
189.12796	3.1
189.16479	2.2
193.10181	4.7
195.11740	11.9
197.13277	14.8
199.14864	11.3
201.16458	2.9
205.10245	2.6
207.11748	4.7
209.13321	7.9
211.14845	10.0
213.16470	6.5
221.13330	2.7
223.14862	5.2
225.16519	6.3
227.12772	7.6
227.18086	3.3
235.14977	3.2
237.16411	5.7
239.18031	5.6
241.19620	8.4
243.15961	3.2
251.18031	2.7
253.19655	3.4
255.17581	2.3
257.19067	5.6
259.20651	7.8
275.20111	11.1
279.21060	2.1
311.23959	2.6
323.23706	2.8
333.24234	4.9
341.24930	3.5
349.24023	7.7
353.24677	2.7
365.28418	11.0
381.31610	4.9
421.31064	4.0
439.32199	6.7
495.34344	2.9
513.35638	17.2
515.38934	8.8
527.37280	2.8
533.39819	11.8
551.40771	6.9
607.43549	46.6
608.43066	2.7
625.34412	4.9
625.44659	100.0
626.45068	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	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01871	45.5
55.05511	36.2
57.03424	14.6
57.07062	7.4
62.83871	3.9
67.05162	7.0
67.05505	78.5
69.07063	88.3
69.59858	32.3
71.04984	9.7
79.05495	61.4
81.03401	7.5
81.07059	89.0
83.04977	16.5
83.08614	17.0
85.06543	6.8
91.05479	70.8
93.07049	67.1
95.01334	6.3
95.04957	22.7
95.08607	57.2
97.06524	42.4
97.10164	10.1
98.20808	6.5
99.08115	3.8
99.75409	4.5
105.07026	76.7
107.04959	22.0
107.08586	32.6
108.21401	4.1
109.06510	15.5
109.10153	24.6
111.08062	7.2
113.91735	4.4
115.57047	4.1
117.07010	32.5
119.08582	56.0
121.06486	7.5
121.10125	20.7
123.08062	5.6
123.11699	5.9
128.06174	4.1
129.07013	23.7
131.08562	51.3
133.06491	4.5
133.10120	45.4
135.08093	4.7
135.11705	14.7
137.09662	6.2
141.06961	9.7
142.07759	8.9
143.08563	27.3
145.06439	4.7
145.10132	41.9
147.08041	5.5
147.11700	30.2
149.09589	10.4
149.13246	10.8
151.11176	4.4
155.08530	21.5
157.10168	23.4
158.52896	4.4
159.11694	31.0
161.09698	5.2
161.13300	19.9
163.11240	9.7
167.08601	7.9
169.10135	16.9
171.11674	27.4
173.13260	19.0
175.14839	10.5
177.12773	4.9
179.14343	5.9
181.10117	11.8
183.11649	13.8
185.13222	26.3
187.11166	4.4
187.14877	9.0
195.11713	16.5
197.13251	15.5
199.14792	10.8
201.16371	5.8
209.13338	8.5
211.14731	9.1
213.16489	6.1
221.13377	5.6
223.14793	6.1
225.16422	5.5
235.14758	6.8
237.16357	4.5
239.17918	6.6
241.19537	18.3
255.28807	5.1
257.18863	8.4
259.20633	14.8
273.18521	12.5
275.20093	47.2
293.21210	6.1
297.22177	5.4
315.23175	8.6
331.22665	5.7
333.24261	22.2
339.26727	4.5
349.23615	26.3
355.82516	4.5
376.98853	4.3
381.31436	4.7
390.19403	5.7
417.22110	4.1
435.32642	11.4
437.34171	11.4
453.07745	4.9
455.35739	5.8
475.35385	5.2
511.37607	12.0
513.35712	10.7
515.39410	8.1
527.37402	8.5
529.38763	7.6
533.39771	18.1
551.40869	10.9
555.36633	7.1
556.37537	5.9
565.27960	8.0
607.43530	57.0
625.29974	23.9
625.44745	100.0
626.45477	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.7
55.01857	10.8
55.05511	21.8
57.03435	9.6
57.07079	4.9
67.05500	48.1
69.03424	8.8
69.07050	16.6
70.84045	5.5
70.84373	8.7
71.04978	6.0
79.05494	48.3
81.03388	6.9
81.07051	45.7
83.04980	11.6
83.08595	7.1
85.02904	9.8
90.82115	4.3
91.05477	58.6
93.06483	6.9
93.07039	100.0
95.04957	16.3
95.08608	32.3
97.02930	5.5
97.06551	7.5
97.10191	6.6
103.05437	5.7
105.07021	44.7
107.04942	6.2
107.08581	16.3
108.31439	4.8
109.06521	8.4
109.10130	9.7
111.04433	13.4
111.08062	8.4
117.06998	25.6
119.08585	33.9
121.06499	10.5
121.09348	4.6
121.10154	65.0
123.07991	5.9
129.07001	15.7
131.08569	45.9
133.10092	18.8
135.08073	5.5
137.05922	5.5
141.06908	7.2
143.08527	13.7
145.10106	18.8
147.11665	5.3
149.09602	21.4
155.08530	11.4
157.10100	9.8
159.11658	7.6
161.09657	6.3
167.10664	5.0
169.10129	5.1
171.11662	12.1
183.06473	5.1
250.00606	5.1
295.15405	12.6
313.16364	7.8
343.26004	5.5
353.24600	15.8
365.84497	5.2
371.25681	21.8
389.26868	20.7
445.29523	95.0
463.30457	54.7
490.62585	5.0
576.98907	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	625.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01857	10.5
55.05263	3.3
55.05508	39.2
55.55685	2.7
57.03418	7.8
57.07066	3.2
65.03928	7.0
67.05501	55.0
69.03422	10.4
69.07066	27.6
69.37617	2.2
69.60910	19.6
69.96952	2.3
71.04990	8.3
73.55524	2.7
79.05062	4.6
79.05489	52.6
81.03403	7.8
81.07053	69.0
83.04984	17.7
83.08608	13.2
85.02889	7.5
85.06509	5.6
90.05188	2.1
90.63561	2.3
91.05474	64.3
93.07041	100.0
95.04980	14.7
95.08597	42.1
97.02858	4.9
97.06517	13.4
97.10173	11.7
101.07127	2.6
104.56603	2.4
105.04491	2.5
105.07024	58.6
107.04920	6.7
107.08578	31.7
109.06539	7.6
109.10139	17.9
111.04439	7.7
111.08076	8.8
115.05431	3.7
116.06260	2.8
117.07002	25.3
119.08578	40.0
121.06470	7.3
121.09306	4.5
121.10133	50.3
123.08066	7.6
123.11702	12.2
125.09625	7.6
128.06230	7.0
129.05481	2.8
129.06982	22.0
131.08566	41.9
133.10129	27.5
135.08034	8.5
135.11665	8.5
137.09607	5.2
141.06969	6.8
142.07803	2.9
143.08543	27.7
145.06473	5.8
145.10117	32.5
147.08057	7.5
147.11691	16.8
149.09595	17.8
149.13219	5.5
151.11160	3.1
153.06958	3.4
154.07759	3.2
155.08580	13.8
157.10135	18.3
159.11713	14.6
161.09689	2.7
161.13239	7.4
163.11232	4.8
167.08524	8.0
167.10669	4.6
168.09428	3.0
169.10132	13.8
171.07935	2.5
171.11646	14.5
173.09671	3.4
173.13261	11.2
175.11229	2.6
175.14767	3.9
181.10103	12.2
183.11607	14.2
185.13303	12.2
187.11151	2.3
187.14882	4.6
195.11676	6.9
197.13272	9.5
199.11176	3.5
199.14868	7.6
199.75009	2.7
201.16360	2.5
204.42783	2.3
207.11688	3.8
209.13258	8.5
211.14854	2.6
213.12724	2.9
213.16411	3.8
215.14342	2.4
223.14777	5.1
225.16379	2.8
227.12700	4.0
227.18059	2.9
231.13557	2.4
235.14883	3.0
237.16298	3.9
239.18008	4.3
241.19435	4.0
257.18857	2.6
259.13260	4.6
259.20508	4.0
275.20023	10.0
295.15405	9.8
313.16498	5.2
333.24500	2.6
343.26376	2.7
349.23907	3.5
353.24829	10.1
365.28424	4.2
371.25854	11.2
389.26907	11.8
395.40604	2.9
421.30927	3.1
433.31030	2.7
443.24399	2.8
445.29480	70.0
463.30600	18.4
513.35742	4.5
515.38733	3.9
527.37030	4.6
533.39868	6.9
551.40784	4.9
607.43481	22.4
625.34363	3.9
625.44623	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3578
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
53.03938	7.0
55.01857	14.9
55.05504	49.0
57.03428	9.9
64.35693	5.2
65.03939	6.4
67.05503	95.0
69.03410	7.7
69.07058	48.4
69.91948	8.6
69.92365	23.3
71.04985	8.9
73.02917	5.2
73.94452	5.0
79.05495	75.1
81.03408	10.7
81.07043	99.6
81.26480	5.7
83.04967	14.5
83.08609	26.7
85.02877	5.5
91.05478	81.8
93.07032	100.0
94.07398	5.7
95.04971	18.1
95.08601	58.6
97.02899	5.3
97.06527	17.9
97.10145	12.8
98.21423	5.9
101.68436	5.7
105.07018	74.0
107.04961	10.8
107.08595	47.5
109.06526	8.6
109.10148	30.0
117.07019	31.3
119.08580	55.5
121.06533	6.6
121.10138	38.1
121.20160	5.1
123.08054	7.8
123.11705	13.2
125.09609	11.1
128.06194	8.0
129.07001	27.3
131.08582	45.9
133.06468	5.0
133.10156	31.0
135.11676	14.4
137.09523	5.7
141.06992	9.7
143.08556	29.0
145.06506	7.5
145.10117	42.3
147.08043	5.8
147.11674	19.8
149.09633	10.9
149.13205	6.3
155.08577	13.8
157.10088	27.5
159.08006	7.1
159.11693	24.5
161.13348	6.3
163.11267	6.6
167.08589	7.7
169.10121	18.3
171.11707	27.8
173.13286	13.2
175.14827	7.2
175.81584	5.5
177.13097	5.5
181.10062	11.5
183.11697	16.0
185.13298	12.0
187.14828	7.2
193.10022	6.7
195.11684	16.8
197.13223	18.2
199.14801	11.8
201.16403	7.0
203.08327	5.0
209.13283	10.0
211.14824	13.8
213.12939	5.6
213.16483	8.5
223.14847	7.4
227.12639	7.1
239.17793	8.3
241.19464	6.9
253.19534	6.4
255.17615	5.9
257.19336	5.4
259.20572	6.5
275.20245	11.8
335.65652	5.4
353.24524	10.6
365.28647	8.5
371.25644	16.3
381.31680	6.7
389.26831	17.7
439.32596	5.6
445.29541	61.1
463.30627	34.5
470.89935	7.8
513.35571	13.8
515.38800	8.3
527.37122	18.1
533.39893	12.4
551.40521	7.5
607.43842	37.7
625.44446	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.1
67.05493	38.5
69.48016	68.7
73.19024	8.3
79.05487	30.1
80.75760	7.8
81.07047	33.6
83.08592	10.0
87.32018	8.0
91.05479	38.9
93.07049	42.1
93.73492	8.0
95.04953	10.7
95.08595	17.7
98.21489	20.4
105.07028	31.7
107.08599	13.9
109.10159	9.2
117.07011	17.3
119.08585	21.4
121.06556	9.4
121.10150	16.7
129.07005	20.0
131.08530	30.0
133.10092	10.6
143.08575	9.0
145.10156	19.0
149.09677	12.6
157.10175	11.0
159.11742	11.9
167.67831	8.3
181.10066	11.0
218.75124	8.4
232.70494	10.1
246.56995	9.0
371.25742	13.8
389.26779	12.8
416.89606	9.1
445.29837	100.0
453.33350	8.8
463.30673	25.5
527.37036	24.1
625.31732	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	625.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94788	0.4
53.03944	0.9
55.01867	1.3
55.05513	4.2
57.03437	1.6
57.64777	0.6
67.05505	8.4
69.03445	0.5
69.07067	2.9
71.04993	0.6
74.09219	0.5
75.77431	0.5
76.91801	0.6
79.05497	7.0
81.03410	1.0
81.07046	7.3
83.05000	1.0
83.08630	2.1
91.05482	7.4
93.07048	7.2
95.04981	1.6
95.08608	5.0
96.18443	0.6
97.06526	2.2
97.10161	1.2
105.07039	6.4
107.04956	0.9
107.08580	5.8
109.06512	1.5
109.10172	2.6
111.04452	0.5
117.07006	3.3
119.08591	4.6
121.10131	3.3
123.08038	1.0
123.11735	1.1
129.07016	1.5
131.08560	3.0
133.06465	0.5
133.10121	3.8
135.08109	0.6
135.11726	1.6
143.08582	2.2
145.10124	2.6
147.08080	0.8
147.11665	2.9
149.09644	1.1
155.08586	1.5
157.10153	2.2
159.11728	2.4
161.09642	1.0
161.13275	1.3
169.10123	1.5
171.11719	1.7
171.13127	0.6
173.13290	1.0
175.14957	0.6
185.13239	1.4
187.14957	0.7
195.11740	1.0
197.13153	0.9
199.14879	0.7
209.13322	0.6
209.15378	0.6
213.16373	0.6
215.17970	0.6
217.40407	0.6
224.76018	0.5
241.19601	0.8
259.20831	0.9
273.18555	1.3
275.20102	3.4
291.19608	1.0
333.24261	1.3
339.94086	0.6
347.22183	1.5
349.23831	0.9
360.42642	0.7
371.32965	0.7
377.17679	0.7
391.19458	1.1
392.20270	0.7
404.20038	1.1
405.20926	1.8
406.21725	2.2
407.22696	1.1
418.18130	2.2
419.18497	1.8
419.23120	0.9
420.23639	2.9
421.24139	0.7
432.19543	2.0
433.19986	6.2
434.20972	1.3
435.22546	1.4
445.20129	0.7
446.21060	1.3
447.21735	5.0
448.22748	2.6
449.19348	3.4
450.16312	1.2
451.25421	3.5
452.25534	1.0
463.20944	4.5
464.22263	2.6
465.22739	4.2
467.24741	0.8
477.22815	2.6
478.23636	10.7
479.24557	10.6
491.24677	1.8
505.26181	1.7
510.26630	0.7
521.24738	0.8
523.22949	3.3
527.37006	0.7
533.24854	0.8
533.40381	0.7
534.26117	2.3
535.26575	0.7
537.25647	2.1
551.26813	0.7
565.28357	26.7
566.28198	1.3
593.26959	1.0
597.31299	0.7
607.43927	3.1
625.30188	100.0
625.44434	5.1
626.30206	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
53.03935	2.1
54.34946	1.2
55.01870	5.8
55.05513	21.9
57.03449	6.9
57.07078	2.1
59.04990	1.3
62.92876	1.1
65.03948	2.7
66.02484	1.0
67.05507	36.0
69.03415	1.3
69.07068	19.5
71.04975	3.3
71.59318	2.1
71.87937	1.2
79.05499	26.3
79.05959	1.3
81.03419	2.3
81.07059	35.3
83.04986	4.3
83.08620	13.6
85.02902	1.3
85.06557	2.1
91.05487	22.2
93.07046	25.1
94.82867	1.1
95.04980	5.0
95.08607	20.8
97.06539	8.0
97.10170	9.2
105.07034	21.5
107.04962	2.9
107.08594	16.0
109.06551	3.1
109.10156	11.4
111.04438	1.7
111.08080	2.4
115.05429	2.5
117.07004	9.1
119.08585	16.9
121.10140	12.9
123.08101	1.5
123.11691	7.3
125.09629	6.1
128.06230	3.4
129.05566	1.2
129.07005	12.5
130.07791	2.2
131.08578	16.1
132.07896	1.1
133.10123	11.9
135.08092	2.3
135.11707	5.6
137.09656	1.5
141.07001	3.6
142.07814	3.1
143.08562	14.1
143.31190	1.1
144.09308	1.3
145.10123	16.3
147.11700	9.0
149.09644	4.6
149.13275	2.0
151.11256	1.8
153.07025	1.3
154.07712	1.8
155.08556	7.4
157.10126	12.4
157.11299	1.2
159.08061	1.4
159.11696	8.5
161.09579	1.3
161.13264	6.3
163.11180	2.4
163.14809	1.7
164.10727	1.7
167.08594	4.9
168.09334	1.4
168.13216	1.0
169.10120	12.7
171.11693	11.4
172.19154	1.0
173.11992	1.6
173.13240	7.3
175.14883	1.5
179.08618	1.9
181.10176	6.0
182.10722	1.2
183.11685	10.2
185.13239	7.7
187.13370	2.0
187.14926	3.1
189.11223	2.9
193.10184	3.1
195.11760	5.3
197.13257	7.3
199.14865	4.6
201.16512	2.4
205.10135	1.1
207.11780	2.7
209.13315	5.5
211.14810	6.9
213.16403	3.3
221.13342	2.6
223.14920	4.5
225.16418	3.4
227.12811	3.6
227.17992	1.6
235.14792	2.7
237.16469	3.9
239.18066	2.9
241.19658	3.8
251.18022	2.4
253.19673	2.1
255.21167	1.5
257.19104	3.1
259.20636	3.7
275.20172	4.5
277.21683	1.4
297.22147	1.4
301.80145	1.1
323.23438	1.6
333.24500	2.1
335.23767	1.7
349.23996	2.8
363.26660	2.0
365.28604	4.4
381.31760	2.2
383.29547	1.5
391.19180	1.4
405.17328	2.6
414.10989	1.6
419.18866	2.7
420.19745	1.7
421.20425	3.1
421.31183	2.9
431.18936	1.4
433.20471	5.7
434.20935	3.0
435.22369	2.2
449.19434	5.6
463.21530	3.4
464.22418	2.0
473.23969	1.6
475.21329	1.5
477.19312	3.9
479.20959	2.4
492.21530	2.8
493.22409	1.7
505.22360	1.7
507.24222	5.6
513.35645	8.7
515.38965	3.6
523.23596	1.6
527.37250	1.8
533.39697	7.7
547.23596	1.9
550.22168	2.3
551.22546	1.6
551.40674	3.3
565.24677	8.9
575.22821	2.8
576.21594	1.9
581.24109	2.2
593.24054	4.6
607.25696	9.9
607.43585	26.0
608.24402	1.9
610.24261	3.3
625.26697	100.0
625.44312	51.8
626.27100	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	625.1764
Annotation	Quercetin 3,4'-dimethyl ether 7-alpha-L-Arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03931	0.4
55.05490	0.4
57.03431	0.4
62.01583	0.3
65.03934	0.4
67.05502	0.6
68.10696	0.3
68.99780	0.6
69.03410	1.2
69.07028	0.4
70.06565	0.9
71.04969	0.2
71.11632	0.2
79.05480	0.4
81.03425	2.5
81.07040	0.8
84.04492	0.4
85.02913	1.4
86.09732	0.4
87.04453	0.4
89.03909	3.3
90.45587	0.3
91.05445	0.9
93.07022	1.0
95.04975	0.3
95.08589	0.5
97.02881	1.2
97.05608	0.3
98.20811	1.0
98.21505	0.8
103.05499	0.3
105.03377	0.4
105.07034	0.6
107.04937	0.4
107.08602	0.4
109.02872	1.2
109.10134	0.4
111.04408	0.4
115.03898	0.5
117.03368	10.6
117.07022	0.3
118.28078	0.2
119.08556	0.3
121.02865	4.2
121.06493	0.3
121.10127	0.6
123.11713	0.4
127.03893	1.6
133.04921	0.4
133.10118	0.4
134.03665	0.6
135.04420	1.0
137.02359	0.6
137.05949	0.4
141.30557	0.3
145.02835	27.2
146.03209	0.4
147.04362	1.1
149.05954	4.3
151.03853	0.7
153.01830	2.7
158.06050	0.3
161.05997	0.4
163.03918	0.4
165.01808	0.7
167.07054	0.5
171.04520	0.3
177.05457	59.4
178.05811	1.3
183.02908	0.3
185.05917	0.5
186.05463	0.8
187.07526	0.3
189.05475	0.6
195.06514	0.6
213.05441	0.7
217.04919	2.6
218.05727	0.3
231.06645	0.3
241.04872	0.6
245.04437	6.3
257.04315	0.5
258.05167	0.7
271.05771	0.3
273.03918	9.3
287.05475	37.0
288.06030	2.1
288.42328	0.3
299.05432	0.5
301.03412	25.9
302.03790	1.0
308.09268	0.4
315.04987	2.0
316.05756	38.8
317.06125	1.2
321.09689	4.6
331.08090	100.0
332.08386	3.0
339.10666	1.0
493.13129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1771
Annotation	Quercetin 3,4'-dimethyl ether 7-alpha-L-Arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
52.44458	0.2
55.01870	0.3
57.03432	0.4
62.82442	0.3
63.02370	0.3
67.05483	0.6
68.99788	0.6
69.03432	1.6
70.06572	0.7
70.71239	0.3
70.71602	0.8
71.38892	0.2
72.57773	0.2
78.04693	0.3
79.05470	0.5
81.03414	3.3
81.07057	1.2
83.04938	0.5
85.02898	1.4
86.09725	0.4
87.04429	0.4
89.03910	3.3
91.05469	1.0
91.91761	0.2
93.07032	0.9
95.00747	0.2
95.04940	0.3
95.08607	0.7
97.02887	1.0
97.06532	0.3
99.04455	0.4
105.07001	0.5
106.04150	0.4
107.04967	0.4
109.02867	1.1
109.10144	0.3
111.00774	0.4
115.03902	0.3
117.03378	10.2
117.07011	0.3
119.08598	0.4
121.02859	3.5
121.10142	0.6
123.04444	0.3
123.11691	0.5
127.03912	1.1
129.06993	0.2
133.02892	0.5
133.04990	0.4
133.06448	0.3
134.03616	0.6
135.04382	1.0
137.02312	0.6
137.05946	0.4
140.38181	0.2
145.02844	28.6
145.10057	0.3
146.03175	0.5
147.04393	0.7
147.11653	0.3
149.05977	3.7
151.03896	0.9
153.01819	2.6
159.11720	0.4
163.03870	0.4
165.01872	0.8
167.07025	0.5
177.05466	64.2
178.05853	1.5
181.04860	0.6
183.02895	0.3
185.06142	0.3
186.05540	0.9
189.05501	0.4
195.06503	0.3
197.06090	0.4
213.05397	0.6
217.04982	2.0
231.03040	0.3
231.06516	0.5
238.98488	0.2
241.05043	0.7
245.04448	6.0
258.05212	0.6
268.15778	0.3
269.17322	0.6
273.03909	7.6
274.76907	0.3
287.05493	38.1
288.05923	1.6
299.05673	0.3
300.20154	0.3
301.03448	25.0
301.06808	0.9
301.19772	0.3
302.03836	0.9
303.23404	0.2
315.04996	2.1
316.05768	37.1
317.06158	1.3
321.09711	4.3
329.06339	0.4
331.08109	100.0
332.08450	2.3
339.10715	1.4
377.26727	0.2
493.13544	1.1
517.71680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1757
Annotation	6-Methoxykaempferol 3-robinobioside
Peak:m/z	Relative Intensity
53.01093	0.5
57.03426	2.0
59.75813	0.5
60.08155	0.8
61.02919	0.9
67.05474	0.6
69.03419	1.2
69.34088	1.4
69.34499	4.5
70.06586	2.4
71.04993	13.9
72.08136	0.6
73.02898	0.9
81.03399	0.6
83.04973	1.1
84.08138	1.3
85.02900	20.3
86.09245	0.9
86.09690	4.7
91.03961	0.6
93.03400	0.8
95.04961	0.6
95.98801	0.5
97.02865	0.8
98.21555	1.4
99.04474	0.6
107.04945	1.5
111.04489	0.6
121.02843	0.6
123.11852	0.6
125.00001	2.4
127.03957	0.7
129.05495	5.3
137.02344	1.1
137.06010	0.7
139.03868	1.1
145.04962	1.1
147.06502	1.3
151.03918	0.7
153.01837	5.3
177.05513	0.8
184.07336	10.0
187.73280	0.6
190.15550	0.7
217.05098	0.8
228.04282	1.0
229.04895	2.0
245.04393	0.8
246.05286	2.1
246.73904	0.6
257.04468	2.4
273.03922	1.6
274.04773	3.6
285.01257	0.6
285.03937	3.9
301.03412	1.1
301.48068	0.6
302.04214	11.2
303.04828	1.0
315.04855	1.0
316.05603	0.8
317.06546	100.0
318.06985	3.7
329.06461	1.3
331.08163	2.9
359.07596	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1762
Annotation	Nervilifordin B
Peak:m/z	Relative Intensity
55.22387	0.2
57.03404	0.5
65.03906	0.2
69.03410	0.5
70.06556	0.5
71.04990	1.7
71.57929	0.4
72.08131	0.3
76.38033	0.2
78.01055	0.2
79.05481	0.4
81.03366	0.3
83.04967	0.2
85.02900	2.4
86.09683	0.5
89.11982	0.2
91.05460	0.4
93.07001	0.3
93.71757	0.2
95.05962	0.2
96.61980	0.2
97.02846	0.5
98.06063	0.2
103.31704	0.2
105.06992	0.2
121.02854	1.0
129.05455	0.6
137.02249	0.2
139.03896	0.3
145.02815	0.5
147.04390	0.3
153.01776	0.8
177.05431	1.0
184.05185	0.5
188.04576	0.3
193.01187	0.3
209.03191	0.3
212.04732	0.5
213.05368	0.6
229.04927	0.9
240.04042	0.3
241.04878	0.3
257.04431	0.8
258.05264	4.4
274.04718	0.4
285.03922	9.2
285.07022	0.5
286.04709	55.4
287.05121	2.0
301.07053	100.0
302.04172	1.5
302.07449	2.4
317.06555	14.6
318.06866	0.5
391.27173	0.2
427.41034	0.3
463.12357	31.4
464.12756	1.0
625.17761	0.8
651.95117	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	623.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
54.13996	3.0
55.01878	7.9
55.05258	4.8
55.05508	44.8
56.69159	2.4
57.03440	7.5
57.07069	5.0
65.03947	3.9
67.05501	58.0
69.03410	5.3
69.07059	25.4
71.05003	5.2
71.19327	6.5
79.05494	48.9
79.73418	2.4
80.44537	2.8
81.03431	7.3
81.07053	58.6
83.04989	8.5
83.08621	18.1
85.06534	4.1
91.05476	43.7
93.07037	37.4
95.04956	12.1
95.08603	33.8
97.06532	8.4
97.10152	25.6
99.04979	2.6
105.07037	38.4
107.04964	7.6
107.08598	29.8
109.06549	9.5
109.10175	21.7
111.08109	4.2
115.05491	3.2
117.07022	24.5
119.08575	26.0
121.06554	2.6
121.10144	12.8
122.37821	2.4
123.08116	5.2
123.11746	4.4
125.09595	16.1
128.06224	5.8
129.07014	16.5
130.07832	3.0
131.08553	28.1
133.06509	5.3
133.10118	18.3
135.08086	4.6
135.11731	7.5
141.07021	8.9
142.07816	5.6
143.08556	22.8
145.10115	23.4
147.08070	5.3
147.11746	11.6
149.09689	4.5
151.07538	3.2
153.06885	4.0
154.07767	3.6
155.08546	17.8
157.10114	21.9
159.11685	17.3
161.09599	3.7
161.13322	7.4
163.11185	2.8
163.14969	2.8
165.07036	4.7
166.07782	2.9
167.08620	7.8
168.09268	3.1
169.10103	20.7
171.11685	14.8
173.13321	9.2
179.08563	4.6
180.09399	3.9
181.10213	7.9
183.08052	3.7
183.11700	14.5
185.13283	12.8
187.14799	3.9
189.11221	8.7
189.12785	3.3
193.10214	7.1
195.11768	11.5
197.13278	12.8
199.14844	4.8
202.94225	2.4
207.11769	8.9
208.12529	3.0
209.13335	10.3
211.14899	8.3
213.12769	4.0
217.15805	2.7
221.13370	5.4
223.14977	6.0
225.16414	3.7
227.12898	10.5
227.18076	3.2
235.14841	3.5
237.16525	3.0
239.17996	3.7
241.19681	3.6
247.20747	3.0
249.16557	3.5
257.19122	7.9
265.19409	3.0
273.18445	4.5
275.20181	15.0
291.19382	14.8
297.22098	2.6
309.22000	2.7
315.23376	5.9
363.26971	6.8
379.30304	10.5
391.19104	5.4
393.21057	3.6
399.16296	2.9
401.17715	5.7
407.22607	4.7
415.19507	5.8
419.18735	4.5
421.19958	4.1
435.22141	3.0
447.17664	4.1
449.19550	3.4
451.32431	3.3
458.22070	3.1
461.20084	5.6
471.21878	6.3
473.23694	3.4
486.20618	4.4
489.23428	6.1
499.21408	10.9
500.21805	5.5
503.21307	3.3
507.23779	4.6
513.36853	3.9
517.22516	10.8
525.35895	7.7
527.21112	3.6
529.22168	7.0
531.38757	10.4
535.22968	6.1
545.21729	39.1
546.22321	6.2
549.39862	3.8
550.25793	3.7
563.23700	11.1
573.21295	15.5
588.25867	3.4
605.23932	67.2
605.42017	18.8
606.24109	13.5
623.25421	69.4
623.43140	100.0
624.25269	17.0
624.43524	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	623.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01862	1.7
55.05505	4.3
57.03422	1.1
57.07067	0.5
59.06107	0.6
59.60192	0.2
60.10782	0.2
62.52529	0.2
65.03938	0.4
65.91453	0.2
67.05500	7.6
67.16440	0.3
69.03426	0.6
69.07065	3.5
71.05002	0.3
71.58627	0.4
79.05484	5.9
80.15633	0.2
81.03445	0.6
81.07051	8.1
81.74881	0.3
83.04974	1.4
83.08618	2.5
85.06549	0.5
91.05475	6.1
93.07035	5.4
95.04974	2.4
95.08595	4.4
97.06519	2.7
97.10178	1.8
99.08092	0.3
105.06311	0.3
105.07022	6.1
107.04952	1.9
107.08594	4.1
109.06506	2.8
109.10154	2.2
111.04420	0.4
111.08065	0.6
113.06036	0.4
115.05434	0.5
116.06269	0.3
117.07030	2.8
119.08570	4.2
121.06535	0.6
121.10136	1.6
123.08088	0.7
123.11710	0.6
125.09615	1.6
128.06261	0.9
128.57770	0.2
129.06978	2.2
131.08560	3.8
133.06499	0.5
133.10120	4.1
135.08034	1.2
135.11702	1.4
137.06075	0.2
137.09651	0.7
137.13263	0.3
141.07008	0.7
142.07813	0.4
143.08543	2.1
145.06572	0.5
145.10104	3.4
147.08052	0.7
147.11668	2.2
147.12642	0.3
149.09639	1.1
149.13275	0.7
151.11226	0.4
153.09103	0.3
155.08521	1.9
157.06502	0.3
157.10120	2.0
159.08015	0.5
159.11670	2.0
161.09587	0.7
161.13303	1.0
163.11227	1.0
163.14893	0.3
165.07079	0.3
167.08603	1.0
169.10103	1.7
171.11696	1.7
173.09631	0.5
173.11964	0.3
173.13182	1.2
175.11201	0.3
175.14810	0.4
177.12752	0.6
179.08553	0.4
179.14291	1.2
180.09337	0.4
181.10194	1.1
183.11682	1.8
185.13304	1.1
187.11227	0.4
187.14853	0.4
189.11220	1.0
189.12738	0.3
193.10204	0.5
193.12218	0.3
195.11745	1.0
197.13271	1.2
199.11241	0.4
199.14835	0.7
201.16479	0.3
205.12244	0.3
207.11708	0.4
209.13316	0.7
211.14929	0.7
213.16296	0.3
215.14468	0.5
219.13930	0.3
219.17342	0.3
221.13338	0.4
223.14949	0.4
225.14124	0.3
225.16435	0.5
227.12825	1.1
229.19568	0.6
233.15419	0.3
235.14745	0.5
237.16357	0.5
239.18007	0.7
241.19429	0.3
243.17503	0.3
247.20728	0.3
251.17917	0.3
253.19647	0.3
257.18951	1.4
259.20645	0.6
265.19489	0.3
271.17014	0.4
273.18549	0.8
275.20053	7.7
277.21811	0.3
289.18082	0.9
291.19519	1.3
293.21210	0.5
313.21591	0.3
314.16708	0.3
315.23373	0.4
341.82739	0.2
347.22336	0.4
349.23911	0.3
351.23462	0.3
363.26846	0.5
365.24301	0.3
375.15915	0.3
377.17609	0.5
377.28751	0.4
379.30060	0.8
389.17969	0.6
390.18671	0.7
391.19370	0.9
392.19986	0.9
402.18524	0.3
403.19427	0.5
404.20389	0.5
405.16248	0.4
405.21109	1.5
406.21484	1.0
407.22232	1.6
413.17596	0.5
414.18655	0.4
415.19324	0.8
416.20377	0.5
417.16959	0.7
417.21567	0.4
418.17377	0.7
418.22214	0.5
419.18225	0.8
419.22607	1.0
420.22867	0.8
421.23880	2.1
422.24594	0.7
427.19415	0.4
428.19974	0.7
429.20908	1.0
431.18491	0.7
432.19318	1.0
433.19885	1.9
434.21024	0.9
435.21652	0.5
443.22708	0.7
444.23557	0.6
445.19925	1.2
446.21252	1.4
447.22794	1.5
448.22449	2.1
449.23325	2.1
451.32364	0.3
457.24622	0.4
458.20142	0.4
458.25433	0.5
459.21820	2.0
460.22272	0.8
461.19775	1.2
461.24197	0.6
462.20645	0.9
463.21140	0.9
471.22025	0.4
472.22766	0.8
473.23438	0.5
475.20898	1.8
476.21692	4.0
477.22504	3.2
478.23389	0.7
485.23590	2.0
486.24438	0.8
487.21085	0.3
488.21869	0.6
489.23126	1.4
490.23471	0.8
493.22076	0.4
499.21454	0.5
500.22186	0.3
503.25006	1.9
505.22519	0.4
513.23102	0.4
513.36987	0.4
515.24603	0.4
517.25690	1.0
519.24072	1.0
520.24664	0.3
521.25586	0.7
525.35760	0.7
531.24127	1.0
531.38580	1.1
533.25726	0.9
534.25775	0.6
535.26880	3.0
536.24701	1.0
545.25671	14.0
546.25958	2.0
549.25177	0.5
549.39294	0.7
554.36078	0.3
562.25232	0.5
563.26239	12.9
564.26746	1.5
567.41064	0.3
573.25012	2.6
579.25726	0.4
591.26019	3.0
592.26257	0.5
594.27710	0.3
595.28296	1.5
605.27698	18.8
605.41632	2.5
606.27728	2.6
623.28375	100.0
623.44012	9.7
624.28796	12.1
624.43744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19701	1.7
53.03938	5.4
54.85553	1.5
55.01863	6.4
55.05508	25.2
57.03190	2.0
57.03440	21.7
57.07071	3.6
65.03941	8.0
65.30950	1.6
67.05505	80.4
69.07067	18.2
70.84687	2.1
70.85047	5.4
71.04996	3.6
73.62850	1.7
75.04507	1.7
76.68232	1.6
79.05493	54.9
81.03414	9.7
81.07058	55.0
83.04984	5.6
83.08624	7.8
85.06541	13.5
91.05480	64.8
93.07042	54.2
95.01357	1.8
95.04966	68.3
95.05563	3.3
95.08605	39.2
97.06525	11.4
97.10163	4.3
103.05488	4.4
105.07027	58.1
107.04953	14.9
107.08595	27.2
109.06512	49.5
109.10143	11.6
111.08082	3.9
111.59808	1.5
113.05206	3.2
113.05989	29.1
115.05490	3.2
116.06219	3.0
117.07014	30.2
119.04906	2.2
119.08585	37.6
121.06470	7.9
121.10161	15.0
123.08041	10.7
123.11734	1.8
125.09696	3.0
128.06230	6.9
129.07010	18.2
130.07791	4.6
131.08569	36.5
133.06458	4.7
133.10121	28.1
133.19461	1.9
135.08051	21.2
135.11681	14.1
137.09653	2.4
141.06963	8.1
142.07785	4.6
143.08542	18.8
145.06496	5.3
145.10123	26.5
145.16815	1.6
147.08063	7.1
147.11696	14.1
149.09639	8.6
149.13301	7.3
153.06975	2.4
155.08531	9.0
157.10126	17.6
159.08127	6.6
159.11685	22.3
161.09587	8.4
161.13284	8.5
163.11206	7.1
165.06984	1.8
167.08549	4.4
169.10162	11.4
171.08028	2.2
171.11684	12.7
173.09641	3.2
173.13255	13.0
175.11270	4.9
175.14827	3.1
177.12755	6.3
179.08585	3.9
179.14322	2.2
181.10179	8.0
183.11703	11.4
185.09692	2.7
185.13286	6.4
187.11201	5.9
187.14864	4.6
193.10190	4.5
195.11726	9.0
195.13815	2.7
197.13316	5.9
199.11160	4.0
199.14890	9.0
201.12860	2.6
201.16386	3.9
205.10283	3.3
207.11725	2.7
209.13274	5.7
211.14909	3.4
213.12749	2.8
213.16443	5.0
215.18034	3.5
217.15839	9.7
221.13297	3.2
223.14812	4.4
225.12938	2.4
225.16431	2.8
227.17963	3.7
235.14795	3.3
237.16434	2.3
241.14293	1.9
241.19579	4.9
245.19041	2.7
247.14764	2.2
251.18239	2.3
255.17578	3.3
257.19073	5.6
258.86649	2.1
259.20639	6.4
273.18497	30.0
274.19662	1.7
275.20209	7.2
279.15857	11.6
291.19519	33.9
305.05576	1.9
315.23276	5.4
325.25116	3.1
327.26907	5.4
333.24374	5.5
347.22083	10.6
363.38898	2.1
365.23834	2.4
367.26205	2.2
495.34872	1.9
513.37488	3.8
527.37354	2.5
531.38367	6.9
549.39294	6.3
563.26276	2.5
565.39233	2.1
567.40265	4.0
587.40955	2.6
595.42914	2.7
605.42114	23.6
623.43024	100.0
624.43408	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	623.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.5
53.03951	8.4
54.29432	1.1
55.01870	11.4
55.05263	2.4
55.05507	27.7
57.03436	27.2
57.07068	3.3
65.03928	8.5
67.05501	99.5
69.03436	4.0
69.07066	20.6
69.87607	7.5
71.04989	4.7
77.03956	2.1
79.05486	65.5
81.03407	11.5
81.07049	70.4
82.81132	1.2
83.04990	8.2
83.08620	9.8
85.06542	16.1
86.28466	1.3
91.05475	79.4
93.07037	65.4
93.07633	2.4
95.01334	4.5
95.04961	83.3
95.08605	43.4
95.09227	1.5
97.02906	1.4
97.06510	9.3
97.10178	2.9
99.08093	1.8
103.05460	5.0
105.04521	1.9
105.07020	65.0
107.04942	20.9
107.08582	32.4
107.09296	2.1
109.02885	2.0
109.06510	58.8
109.10149	15.0
111.04456	1.4
111.08089	5.1
113.06001	31.4
114.97841	1.4
115.05459	8.0
116.06190	2.0
117.07008	36.8
119.04975	1.3
119.08572	44.9
121.06477	8.9
121.10131	17.0
123.04446	3.0
123.08092	9.5
123.11718	3.8
125.09647	2.8
125.24687	1.4
128.06212	8.8
129.07002	26.8
130.07813	2.6
131.08560	42.5
131.09526	2.8
133.06497	5.3
133.10129	29.5
135.08051	27.2
135.11667	15.4
137.06000	2.5
137.09625	4.2
139.11113	1.6
141.06990	9.0
142.07793	4.5
143.08546	27.8
145.06456	7.7
145.10114	37.7
147.08040	10.2
147.11659	23.0
149.09599	9.5
149.13168	6.6
151.11229	2.2
155.08562	10.4
156.09286	1.6
157.10124	20.6
159.08087	7.6
159.11673	26.4
159.12846	2.1
161.09618	9.7
161.13234	10.6
163.11212	5.5
165.07030	2.3
165.09203	2.0
166.07906	1.8
167.08485	7.1
168.09325	2.1
169.10121	15.0
171.11665	18.8
173.09645	6.0
173.13229	15.3
175.11234	5.5
175.14827	4.2
177.12709	7.8
179.08597	6.1
181.10094	7.8
183.11694	13.2
185.09616	4.7
185.13228	11.9
186.35431	1.4
187.11198	7.2
187.14844	4.0
189.12769	4.1
189.16386	2.0
193.10146	4.9
195.11723	10.6
195.13704	2.2
197.09607	2.3
197.13313	7.4
199.11279	5.2
199.14828	9.2
201.12810	3.2
201.16406	3.1
204.09448	1.6
205.10226	3.3
205.12224	4.2
205.16081	1.9
207.11745	6.0
209.13289	5.8
211.11301	1.7
211.14874	6.0
213.12813	2.5
213.16365	4.0
215.14322	1.7
215.18018	2.1
217.15926	9.9
219.11781	2.4
219.13850	2.0
221.13252	3.5
223.11264	2.5
223.14900	4.0
225.12746	2.2
225.16444	2.6
227.18037	2.4
229.19565	1.7
233.13237	1.7
235.14854	3.7
237.16386	4.5
239.18098	3.3
241.14427	4.8
241.19533	7.7
245.13046	1.7
245.19104	2.7
249.16415	3.3
255.17577	3.1
257.19003	6.7
259.20557	9.0
263.17853	1.9
273.18484	33.4
275.20105	7.2
279.15765	11.6
283.20581	1.7
285.21771	1.5
291.19519	41.3
307.20459	1.4
315.23239	4.0
327.23352	1.6
327.26682	6.6
333.24142	9.6
347.22177	10.9
349.24487	1.6
361.24979	2.4
365.23596	4.0
379.26581	2.5
381.28052	1.9
459.32410	3.0
461.29309	2.1
503.39120	2.4
513.37042	6.0
531.38202	8.3
549.39557	5.9
551.37244	2.4
565.38690	1.7
567.40472	3.9
595.43896	2.8
605.24872	2.0
605.42023	21.0
623.43048	100.0
624.43365	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	623.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01860	7.4
55.05259	3.6
55.05509	38.8
57.03432	4.4
63.24078	2.3
67.05172	4.2
67.05502	50.5
69.03437	6.8
69.07068	23.4
70.76109	5.7
70.76505	5.7
71.04974	6.7
79.05487	40.9
81.03381	6.5
81.07050	43.5
83.04977	7.6
83.08609	18.0
91.05475	43.4
93.07042	30.9
95.04971	9.9
95.08606	25.3
97.06568	5.5
97.10165	21.9
105.06377	4.7
105.07022	36.8
107.04990	7.5
107.08591	28.2
108.36333	2.3
109.06541	6.8
109.09500	2.9
109.10144	17.6
115.05462	4.7
117.07008	19.0
119.08574	29.5
121.06489	5.5
121.10139	12.1
121.62888	2.7
123.08097	3.6
123.11732	4.9
125.09617	15.5
128.06192	5.8
129.06995	20.0
131.08588	24.3
133.10129	17.8
135.08046	4.3
135.11685	6.6
137.09641	3.3
141.07004	10.4
143.08551	19.4
145.10112	23.4
147.08012	4.1
147.11667	10.4
149.09625	5.3
149.13246	4.2
153.07112	2.3
155.08568	17.6
157.06563	2.9
157.10112	18.1
159.08099	4.1
159.11702	11.1
161.09648	4.6
161.13286	3.1
163.11169	4.5
167.08577	6.3
168.09312	2.8
169.10172	13.9
171.11731	13.0
173.13258	8.6
181.10112	10.5
183.11719	16.1
185.13283	7.9
187.11301	2.9
187.14767	7.0
189.11226	8.5
193.10245	5.8
194.04309	2.5
195.11617	6.9
197.13283	10.9
199.11281	2.4
199.14842	6.9
207.11720	6.0
209.13242	9.1
211.14841	9.9
213.16342	3.2
221.13251	4.9
223.14932	6.5
225.16281	3.4
227.12823	6.5
235.14786	3.8
237.16382	2.8
239.17995	3.9
241.19646	4.0
245.13152	3.2
251.18208	3.3
257.19022	4.6
259.20645	7.8
275.20114	10.9
281.96973	3.0
291.19571	12.0
309.22131	2.7
379.29977	8.3
451.32092	3.1
513.37494	5.1
525.35645	9.1
531.38318	8.6
549.39398	6.0
554.35699	2.9
567.39606	3.0
605.42041	14.9
623.26990	11.0
623.42957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01232	2.5
53.03937	6.8
55.01871	13.0
55.05508	32.8
57.03432	19.7
57.07063	3.8
65.03934	6.7
67.05499	93.8
69.03429	5.2
69.07063	17.1
71.04987	3.7
75.38836	2.6
79.05489	63.1
81.03427	9.7
81.07051	72.4
83.04978	8.1
83.08622	14.3
85.06538	9.8
91.05479	65.5
93.07037	56.6
95.04967	96.9
95.08605	43.4
97.06505	14.0
97.10157	2.2
99.80403	2.5
100.55882	2.5
100.56694	2.5
101.13383	2.8
103.05463	2.8
104.72679	2.3
105.04527	3.0
105.07028	59.6
105.71706	2.5
107.04965	18.3
107.08588	32.0
109.06510	51.1
109.10132	13.0
111.08058	4.1
113.05991	22.6
115.05459	5.4
117.07013	32.4
119.08576	42.4
121.06487	8.1
121.10132	20.3
123.04428	2.4
123.08054	8.4
123.11724	4.5
125.09619	3.3
128.06190	6.9
129.06984	20.6
131.08556	39.1
133.06505	8.1
133.10130	29.3
135.08049	20.1
135.11676	13.4
137.06013	3.1
137.09630	2.9
141.07008	7.5
142.07701	6.3
143.08557	19.5
145.06490	7.4
145.10117	33.7
147.08054	8.6
147.11658	16.0
149.09598	10.4
149.13234	6.2
155.08586	9.0
156.09329	3.6
157.10120	16.5
159.08090	7.1
159.11687	24.0
161.09628	8.6
161.13266	7.3
163.11137	6.0
167.08560	3.3
169.10165	10.2
171.11632	14.3
173.09656	3.1
173.13231	12.5
175.11247	6.2
175.14813	2.7
177.12717	5.0
181.10118	8.5
183.11687	10.6
185.13271	9.7
187.11180	4.9
187.14818	7.9
193.10149	5.4
195.11639	4.5
197.13298	6.4
199.11122	3.5
199.14792	10.0
205.98073	2.5
209.13206	5.9
211.14880	5.1
213.16429	4.4
217.15858	7.8
221.13245	6.1
223.14920	5.2
227.18039	3.7
229.19543	2.9
229.82465	3.1
239.18013	3.3
241.19360	4.7
245.18829	3.1
251.17899	2.8
255.17360	4.7
257.18973	5.6
259.20584	9.6
260.25482	2.5
273.18515	42.0
275.20044	11.5
279.15842	12.8
283.94647	2.5
289.18091	2.8
291.19522	29.9
313.21530	3.6
315.23291	3.4
327.26846	5.0
333.24246	10.4
347.22076	18.6
433.20038	3.4
458.18604	2.5
503.38483	3.2
513.36475	4.1
519.23804	7.2
530.91534	3.1
531.38531	6.1
549.38831	6.9
563.26324	9.9
605.41681	22.0
623.28265	39.4
623.42822	100.0
624.28937	4.1
624.43060	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	623.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47559	2.6
53.03944	5.5
54.12700	3.4
55.01850	5.2
55.05513	22.1
57.03429	10.5
61.02927	33.3
65.03942	4.9
67.05507	42.9
69.03435	12.0
69.07063	16.2
69.51234	16.6
71.04996	6.9
71.68089	2.2
73.02921	7.6
79.05493	39.0
81.03414	7.3
81.07060	38.5
83.04991	4.9
83.08623	13.5
85.02912	26.5
85.06496	2.9
90.33615	2.3
91.03967	13.2
91.05478	51.8
93.07046	40.6
95.04959	11.4
95.08611	30.1
97.02876	13.8
97.06504	4.6
97.10158	4.5
102.72222	2.5
103.05482	4.4
105.07036	38.8
106.79881	2.7
107.04948	8.1
107.08607	22.6
109.02941	2.9
109.06512	4.4
109.10148	9.6
111.08098	4.9
115.05443	7.6
116.06167	2.6
117.07024	31.8
119.04942	3.0
119.08549	22.7
121.06505	7.0
121.10149	10.7
123.08091	7.2
125.09624	3.0
127.03883	4.8
128.06235	7.8
129.07016	42.7
131.08566	43.1
133.06470	5.8
133.10159	16.5
135.08046	7.5
135.11627	4.5
141.06999	18.1
143.08562	29.4
145.06497	8.7
145.10135	20.1
147.08121	12.1
147.11734	6.3
149.09601	9.3
153.07037	4.2
154.07793	4.0
155.08562	28.4
157.10135	15.4
159.08057	7.9
159.11682	10.7
163.11172	3.5
165.06953	6.8
167.08572	12.2
169.10155	17.1
171.08083	5.4
171.11642	13.1
173.09689	4.8
175.11160	5.4
177.12688	3.9
179.08569	8.2
181.10129	11.8
183.11707	11.8
185.09628	3.4
185.13283	9.0
193.10118	7.1
195.11684	15.9
197.13257	11.6
201.12601	2.7
207.11699	8.6
209.13226	7.2
211.14864	7.4
213.12842	2.8
213.16371	3.2
215.14297	8.3
219.11601	3.0
221.13278	11.8
223.14835	10.0
225.12733	4.2
225.16415	3.7
227.14305	2.7
227.73256	2.6
235.14870	7.8
237.16380	3.2
239.14252	8.4
243.13744	3.7
249.16328	3.4
253.15707	3.5
255.13896	2.9
256.52231	2.7
257.15472	5.8
267.17542	3.2
271.16962	4.2
305.22797	2.8
323.23532	5.6
333.22235	15.2
341.24722	8.9
351.23175	58.0
369.24203	35.8
387.25235	18.6
413.41745	2.9
425.26791	7.0
443.27936	100.0
443.50186	2.8
444.28125	6.4
461.28986	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	623.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.2
55.01858	7.5
55.05513	21.3
57.03436	11.1
61.02916	11.9
65.03928	3.6
67.05178	3.2
67.05508	36.4
69.03429	21.5
69.07072	11.4
70.06554	2.5
70.17085	9.5
71.01373	3.9
71.04993	8.0
73.02918	7.3
75.04495	3.5
79.05492	42.8
81.03416	12.5
81.07054	42.0
83.04984	34.2
83.08622	8.0
85.02900	32.1
91.03952	7.5
91.05475	71.4
93.07041	100.0
95.04978	22.6
95.08604	28.9
97.02891	10.1
97.06522	3.7
97.10186	5.0
99.04453	4.3
103.05479	3.0
105.07028	44.6
107.04964	9.4
107.08601	17.6
109.06528	8.9
109.10174	9.8
111.04442	22.2
111.08061	4.6
115.05473	4.5
117.07013	32.1
119.08579	52.6
121.06525	11.1
121.10147	43.1
122.79881	2.3
123.08099	4.8
123.11679	3.9
127.03934	3.0
128.06252	8.9
129.05519	13.1
129.07010	29.1
131.08562	35.0
133.06491	5.7
133.09248	3.4
133.10101	14.1
135.08073	7.7
137.09645	4.8
139.11176	3.0
141.07016	11.1
142.07742	3.1
143.08557	23.8
145.06503	10.1
145.10117	17.7
147.08041	25.4
147.11708	5.6
149.09637	21.8
151.11186	3.7
153.07146	2.4
155.08545	15.7
157.06456	3.9
157.10085	12.3
159.08116	5.6
159.11699	10.2
161.09673	5.2
163.11180	4.6
165.06981	3.2
165.09155	9.1
167.08577	8.2
167.10646	3.6
169.10092	13.8
171.08043	5.6
171.11700	11.4
173.09634	3.5
173.13287	3.9
175.11194	3.4
177.12717	2.4
179.08511	4.0
181.10136	9.4
183.10210	2.8
183.11723	5.8
185.09599	2.6
185.13293	6.3
187.11183	3.6
193.10280	2.6
195.11681	7.3
197.13271	6.2
199.11147	2.7
201.12756	5.1
203.14326	2.5
207.11736	3.5
211.11115	3.4
211.14804	3.7
213.12755	5.4
221.13287	7.7
223.14851	5.5
225.12851	2.7
225.16391	3.1
227.14299	4.2
231.13762	2.8
239.14355	3.3
239.18140	2.4
249.16560	3.3
253.15894	3.6
271.16888	2.6
275.16513	2.9
277.14438	3.2
295.15280	11.0
311.14795	5.7
323.23575	4.8
333.22040	9.2
341.24850	3.9
351.23215	24.6
369.24280	37.7
387.25394	20.7
425.26605	5.5
433.29568	3.2
443.27878	86.9
459.24893	3.0
461.28967	65.8
523.35474	2.8
551.30011	2.9
623.34302	4.4
650.60083	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19287	0.5
53.03939	0.8
53.92074	0.4
55.01871	1.4
55.05511	2.8
67.05505	5.0
69.07064	2.4
70.43468	1.6
71.04948	0.5
79.05493	4.6
81.03426	0.6
81.07057	4.9
83.04974	1.0
83.08614	1.3
91.05474	5.4
93.07031	3.3
95.01311	0.6
95.04950	1.3
95.08600	3.2
97.06548	2.2
97.10119	0.6
105.07029	4.7
107.04939	1.6
107.08588	2.5
109.06509	0.8
109.10177	1.6
117.07019	2.5
119.08581	3.3
121.06490	0.8
121.10139	1.9
123.08062	0.5
125.09648	1.1
129.06989	1.6
131.08556	2.5
133.10126	3.5
141.06943	0.5
143.08511	1.3
145.10118	2.8
147.11687	1.5
149.09729	0.5
149.13181	0.7
155.08528	0.6
157.10146	1.2
159.11682	1.3
161.13243	0.5
169.10150	1.0
171.11765	1.1
173.13271	0.8
181.10286	0.5
183.11726	1.1
187.14766	0.5
189.11295	0.5
195.11761	0.6
197.13255	1.1
209.13216	0.6
227.12791	0.6
257.19055	0.8
275.20053	5.3
293.21136	0.6
298.82233	0.4
359.14215	0.4
375.16168	0.7
381.18915	0.5
388.17105	0.6
389.17703	2.0
392.19601	0.5
401.17691	0.6
402.18677	0.9
403.19473	2.6
404.20081	1.0
405.20959	1.0
415.19199	1.1
416.20273	0.9
417.16837	1.4
417.21600	2.2
418.17313	0.6
419.22552	4.0
430.17676	1.1
431.18579	2.7
431.22726	2.1
432.19507	1.3
433.20145	2.6
443.18585	3.4
444.19168	1.1
445.20126	7.6
446.21057	4.5
447.22250	4.9
448.23285	0.6
449.23450	1.8
457.20255	1.7
458.21121	1.0
459.22153	3.0
460.22726	0.9
462.20346	1.5
463.21268	2.1
473.23492	0.7
475.21582	1.7
476.22098	5.3
477.22995	5.9
478.23486	0.7
489.22931	1.8
490.23685	0.9
491.20868	0.9
503.24454	0.8
505.21796	0.8
505.27069	0.8
521.22009	1.3
525.35913	0.8
531.24237	0.7
533.25494	12.3
535.23724	0.8
545.25714	1.0
563.26538	15.5
563.35272	0.8
565.27771	0.5
591.26025	0.8
593.27692	4.0
594.25232	0.5
605.27112	1.2
605.42139	1.5
623.28601	100.0
623.43164	5.5
624.28955	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79199	0.4
55.05517	0.6
57.07075	0.6
67.05508	1.1
69.07055	0.4
78.56438	0.4
79.05498	0.8
81.07079	0.9
83.90169	0.4
91.05493	1.3
93.07069	0.9
95.08605	0.6
104.22442	0.5
105.07029	0.9
107.08601	0.6
119.08582	0.7
129.75092	0.3
131.08528	0.5
157.10280	0.5
180.01006	0.4
221.10866	0.6
251.11792	0.9
275.20020	1.1
288.91641	0.5
294.13562	0.5
313.91257	0.4
329.18600	0.4
354.16400	0.5
375.16010	0.8
376.16370	0.4
377.17413	0.6
385.14487	0.4
389.17819	0.7
390.18610	1.0
391.19272	1.7
392.20062	0.6
393.20917	0.6
401.17749	0.8
403.19186	1.3
404.20322	0.7
405.16583	0.7
405.21432	1.9
406.21588	1.5
407.22781	0.7
416.20148	0.6
417.16562	0.8
417.21506	0.7
418.17664	0.8
419.18607	2.6
419.22681	1.8
420.19406	0.4
421.24539	1.8
429.17114	1.1
431.18445	1.3
431.22903	1.0
432.19489	1.5
433.19968	3.7
434.21277	1.3
435.22076	0.9
443.18546	0.5
445.20221	2.6
446.21350	0.9
447.22531	3.6
448.23315	1.8
449.23596	5.0
458.21042	1.4
459.21863	1.5
460.23077	0.4
461.19849	2.0
462.20422	0.9
463.21439	1.2
475.20895	1.8
476.21985	4.8
477.23004	3.8
489.23032	2.3
490.23865	0.7
491.25150	0.4
502.23328	0.4
503.24741	1.0
506.23538	0.5
519.23914	0.6
521.21722	1.1
531.24896	0.5
533.25562	3.1
535.27838	2.9
536.22998	0.5
545.25293	1.5
548.23859	0.5
563.26514	16.9
564.27081	0.4
591.25781	1.5
595.29138	1.0
603.24500	0.5
605.27667	2.7
606.27795	0.6
623.28625	100.0
624.28949	3.5
624.38483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
67.05499	2.9
69.07049	1.4
73.56521	0.6
79.05486	1.9
81.07056	3.6
83.08585	0.7
83.73066	0.5
91.05472	1.8
93.07038	1.9
95.08595	2.3
98.21501	2.2
105.06995	1.7
107.08609	1.7
109.06518	0.6
109.10185	0.8
111.95887	0.7
117.07079	0.9
119.08527	1.7
129.06975	0.8
131.08539	1.3
133.10123	0.9
142.07719	0.7
143.08507	1.1
145.10109	1.5
157.10231	0.7
163.89091	0.7
185.13271	1.0
193.61363	0.6
223.12314	0.7
275.19995	1.0
312.08698	0.7
342.52390	0.9
382.00360	0.7
388.16992	1.0
389.17480	1.0
390.18564	0.9
391.19189	1.7
401.17453	1.2
403.19363	2.1
404.20215	1.6
405.20798	2.7
407.22275	1.2
415.19263	2.0
416.20038	1.2
417.16534	0.9
417.21237	1.5
418.21576	0.7
419.22714	4.0
420.23160	1.4
429.21094	1.0
430.17758	1.7
431.18716	2.8
431.23053	2.0
432.19440	2.0
433.20038	6.3
443.18399	1.4
444.19125	3.3
445.19626	5.3
446.21170	4.2
447.22119	5.5
448.22678	1.9
457.20258	1.2
458.20969	6.3
459.21729	5.9
460.22714	5.3
461.19272	1.5
462.12405	0.7
463.21243	2.4
468.21173	0.8
472.22818	1.3
473.23477	2.0
475.21265	1.3
476.21994	1.8
477.22821	2.1
490.24280	1.1
503.20996	0.7
505.22400	0.8
517.22528	1.4
518.23083	4.7
519.23804	0.8
521.21771	1.8
531.23608	0.9
532.24548	0.8
533.25641	9.2
535.26910	2.1
545.25726	4.0
546.26074	1.9
549.24542	0.7
563.26349	8.2
605.27448	9.4
623.28577	100.0
624.28845	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43420	0.7
55.05501	2.6
67.05516	2.1
69.07074	1.3
71.58349	0.9
71.58734	1.0
72.58901	0.8
79.05493	4.5
81.07047	5.5
85.54853	0.8
91.05483	3.8
93.07047	2.6
95.04961	1.1
95.08611	1.4
95.59425	1.0
95.77890	0.9
105.07034	2.6
107.08633	2.0
109.06527	3.4
109.10210	1.1
117.07047	1.7
119.08578	2.3
121.10133	1.6
123.77375	1.0
131.08585	1.9
133.10081	1.2
143.08580	1.4
145.10126	1.7
155.08653	0.9
172.72913	0.9
204.50304	0.8
275.20230	1.8
375.15970	1.8
387.16260	1.1
389.17581	5.1
390.18518	2.0
391.19147	2.9
403.19336	3.3
404.19980	1.5
405.20953	11.6
406.21844	1.6
416.20493	1.2
417.16434	7.1
417.21835	1.7
418.17752	3.0
419.18768	3.1
431.18256	6.2
432.19501	9.2
433.20224	10.4
445.20370	3.3
459.22052	2.0
460.22632	1.1
461.19791	3.6
463.21332	1.6
475.21353	1.9
476.21835	4.3
477.22787	3.9
519.23889	22.3
521.22192	1.3
563.26520	14.5
579.26453	6.2
591.25812	1.1
595.28357	1.1
605.41711	1.2
623.28607	100.0
624.28577	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	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59661	0.9
55.32825	0.9
69.45981	7.5
69.46395	2.4
131.88905	1.0
157.52846	1.1
180.07332	1.1
188.05203	1.0
237.13936	1.3
252.36026	1.0
273.10495	1.1
280.64536	1.0
362.15668	1.0
377.17783	1.9
380.53043	1.2
389.17899	1.8
390.18570	1.0
391.19232	4.5
392.19897	3.0
393.20572	1.9
400.46445	1.1
401.17606	1.6
402.19040	1.2
403.19757	1.2
404.20523	1.7
405.20804	4.1
406.21564	5.2
407.22345	11.6
410.16599	1.0
414.18134	2.2
415.19244	3.7
416.20135	1.4
419.22693	2.1
420.23157	2.0
421.23904	12.7
422.24588	3.9
427.19479	2.2
428.20132	2.1
429.21039	5.5
430.21558	2.4
431.18521	2.0
433.19742	1.5
433.24701	2.1
434.24753	1.4
443.22156	3.2
444.23181	4.3
445.20233	2.3
446.20813	1.4
447.17416	1.8
449.23224	1.2
457.24066	2.4
458.24744	3.3
459.22076	5.6
460.22504	3.0
461.19241	6.8
462.20432	2.0
463.21207	1.7
472.23074	2.4
475.21146	7.5
476.21738	7.0
477.22748	5.4
485.24081	5.2
486.19894	2.2
488.21558	1.5
489.23077	3.3
499.21237	7.4
500.22336	1.2
503.24393	9.6
504.24197	1.3
507.23605	1.2
513.22577	1.9
514.23901	1.6
517.26202	3.0
521.25311	2.3
535.27142	6.7
545.25500	29.1
563.26453	2.4
564.27283	2.8
573.25024	7.3
591.26080	3.4
605.27673	19.7
623.28619	100.0
624.28687	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67120	0.9
70.83472	0.8
71.28228	0.8
71.28571	1.7
81.12994	0.7
85.51403	0.7
104.58247	0.8
115.20484	0.8
237.14024	0.9
238.14825	0.8
326.16620	1.2
375.16446	1.6
376.33688	0.7
377.17529	2.1
378.18329	1.2
389.18506	1.8
390.18567	2.3
391.19241	7.4
392.19907	6.2
393.20941	2.1
398.15723	0.8
399.16376	2.9
400.17194	2.2
401.18082	2.0
402.19174	1.0
403.19669	1.2
404.20758	2.5
405.16663	0.8
405.20987	6.6
406.21426	7.2
407.22296	17.0
408.22467	0.9
412.17801	1.3
413.17609	3.8
414.18521	5.2
415.19327	6.2
416.20416	1.2
417.20850	2.2
418.22198	1.7
419.17810	1.2
419.22293	3.3
420.23114	2.6
421.23898	14.2
422.24713	4.2
427.19403	3.0
428.20035	4.1
429.20865	18.9
430.22421	3.9
431.18851	2.9
432.19485	1.5
433.19836	1.1
433.24252	2.7
441.21356	1.3
442.22128	1.9
443.22849	10.9
444.23566	5.4
445.20038	4.3
446.21280	1.0
447.17923	2.4
449.23163	1.7
455.18793	1.5
456.19528	3.2
457.24847	5.8
458.24826	9.1
459.21872	6.5
460.22366	2.7
461.19040	7.3
462.20551	3.1
463.21344	2.1
470.21185	2.7
471.22473	1.6
472.22702	8.9
473.23093	3.9
475.21014	8.0
476.21832	6.0
477.22992	3.3
478.23947	1.1
484.19067	1.3
485.23596	14.9
486.20328	3.3
486.24524	3.2
487.20584	1.3
487.25815	1.0
488.22214	1.6
489.22693	4.2
490.24332	0.9
493.26520	1.2
499.21310	5.4
500.22205	3.3
502.23868	1.4
503.24658	9.9
504.24707	2.2
513.22974	4.0
514.23633	2.6
517.26190	10.7
521.25568	1.1
529.25958	1.8
531.24011	1.0
535.27039	5.5
545.25488	96.8
546.25720	5.2
563.25958	1.1
564.27228	2.2
573.25018	19.8
591.25836	1.8
605.27594	100.0
606.27795	6.0
623.28619	85.5
624.29095	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	623.285
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.3
68.80402	1.3
69.64299	11.2
69.90521	1.4
77.34235	1.5
142.47281	1.3
170.54683	1.7
173.89114	1.4
361.14078	1.7
391.19174	1.8
397.84671	1.5
398.41229	1.5
405.20764	4.9
429.20929	3.2
433.20358	5.8
443.22345	1.9
447.18158	6.5
448.23068	3.3
449.23901	2.6
458.24976	1.6
459.21857	2.6
461.19080	7.1
472.22614	2.8
473.24036	1.5
476.22055	26.5
477.22571	4.1
485.23697	3.1
503.24768	1.7
517.26257	1.8
519.24030	2.2
531.24597	3.6
545.25580	15.1
563.26251	6.7
581.65289	1.8
605.27393	3.5
623.28589	100.0
624.28491	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	623.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83653	26.5
80.90799	8.6
83.23612	8.8
84.08135	46.1
85.02885	11.2
106.12968	7.8
143.01872	10.9
155.01898	13.4
161.02988	15.7
173.03003	11.2
184.08177	18.2
185.02992	33.8
191.70134	8.7
197.02959	18.3
212.07698	41.0
224.07620	9.9
230.08755	100.0
242.08791	16.3
245.05101	66.6
248.09769	87.0
260.09369	8.8
263.05994	9.4
265.05551	9.9
272.09772	52.0
278.39044	9.5
302.10910	15.7
305.07169	11.7
314.11032	9.2
332.11975	15.2
436.86401	11.4
494.17245	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	623.267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12615	0.9
53.03935	1.0
54.17308	0.9
55.01876	1.0
55.05501	2.2
57.03446	1.4
65.03947	0.7
67.05496	3.0
69.03420	4.2
69.07071	1.1
69.85429	0.7
71.04990	2.2
74.42780	0.7
79.05503	4.5
81.03413	1.2
81.07056	6.1
83.04975	5.4
85.02915	4.5
91.05484	10.2
93.07039	16.3
95.04968	3.2
95.08602	2.1
97.02916	1.4
99.04427	1.2
105.06999	4.1
107.04939	1.2
107.08627	4.0
107.25011	0.8
109.06567	1.0
111.04433	3.8
116.86107	1.0
117.07024	2.3
119.08584	9.8
121.06593	1.3
121.10131	7.6
129.05475	1.9
129.07002	1.5
131.08574	2.2
133.10117	0.8
135.08054	1.1
135.11699	1.9
137.09601	1.2
143.08574	1.0
145.10162	1.2
147.08029	4.0
149.09634	2.5
155.08569	1.0
165.09135	2.3
167.10698	1.0
181.64507	0.9
183.10144	1.3
193.12074	3.5
211.11261	0.7
223.09427	4.3
227.05325	1.5
229.12296	0.7
262.28879	1.0
277.14099	0.9
293.13821	1.7
295.15427	2.5
297.17310	0.8
303.16147	1.0
312.94080	0.8
379.17453	1.8
409.14920	3.3
412.63513	0.8
427.15857	3.3
461.28973	1.8
519.25690	1.8
537.26758	4.9
561.26862	3.0
579.27740	31.6
598.88269	0.8
605.25385	5.8
623.26672	100.0
624.27197	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08033	3.0
53.03937	6.3
54.47310	2.8
55.05513	29.0
57.07063	4.9
60.35307	3.2
62.93180	2.8
65.03931	3.1
67.05505	40.2
69.07061	16.4
70.06277	14.1
71.05000	3.4
79.05494	29.3
81.03405	4.3
81.07057	39.0
83.04977	8.8
83.08598	8.0
91.05479	32.8
93.07039	25.7
95.04980	7.2
95.08609	26.4
97.10179	8.6
98.20813	5.2
105.07041	30.1
107.04964	4.3
107.08578	19.9
109.06519	5.8
109.10151	17.4
117.06996	12.1
119.08563	22.1
121.06506	4.2
121.10119	6.5
125.09628	9.6
129.07007	9.5
131.08560	18.0
133.10101	10.7
135.07944	4.1
135.11667	6.8
141.06940	6.2
143.08580	14.9
145.10127	13.1
147.08070	4.6
147.11699	8.6
149.09628	6.7
153.06926	3.8
155.08603	17.3
157.10103	8.1
159.11713	10.1
160.54224	3.7
161.13164	4.5
167.08504	7.3
168.71819	3.9
169.10121	10.9
171.11679	11.0
173.13170	4.2
181.10025	4.2
183.11726	11.3
185.13272	3.5
189.11209	4.1
193.10088	4.7
195.11659	7.9
197.13205	11.6
209.13155	3.7
211.14825	4.4
221.13367	3.8
223.14919	5.4
227.12778	6.7
257.18997	6.2
275.19992	14.2
291.19504	8.6
295.21152	3.5
401.17542	6.6
407.22284	4.5
415.19168	6.6
431.18851	5.9
443.18253	4.0
444.19690	5.4
471.22424	7.0
474.20593	6.5
490.19516	5.2
491.20923	6.5
499.21390	15.5
501.22995	5.6
517.22174	9.4
527.20502	4.8
529.22229	7.2
531.38403	8.6
545.21875	53.3
549.39362	7.5
563.24377	4.6
573.21344	21.2
605.23938	100.0
605.41492	13.5
623.25342	80.7
623.43274	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94695	0.3
53.03936	0.9
55.01842	0.3
57.03437	0.4
61.02901	0.3
62.74384	0.3
65.03931	0.3
66.28111	0.3
68.03481	0.3
69.03420	2.3
69.58057	0.3
70.06587	0.9
71.04964	0.3
72.08105	0.5
73.02912	0.4
78.04675	0.4
79.05482	0.4
81.03427	1.9
83.82003	0.3
84.04492	0.5
84.08102	0.5
85.02903	2.1
86.09705	0.5
87.00820	1.2
89.06060	0.4
91.05484	0.4
91.34277	0.3
95.04960	0.4
97.02890	1.1
99.04479	0.5
105.01891	0.3
106.04143	0.6
109.02889	1.4
111.08120	0.7
115.03921	0.4
116.36775	0.3
120.02086	0.9
121.02898	0.4
123.04464	0.3
127.03913	1.1
135.82100	0.3
136.06171	0.5
137.02284	0.4
138.03091	0.6
139.03925	1.0
145.04878	0.3
148.01474	0.6
149.02293	0.6
151.03906	0.6
152.04654	0.9
163.03842	0.3
165.01868	2.7
166.02585	2.7
167.03438	2.2
177.05482	0.4
179.03410	1.1
180.04156	3.4
181.04948	29.1
184.03654	1.4
203.03442	0.6
207.06432	0.3
209.00803	0.8
213.05441	0.3
224.03098	1.5
229.04849	0.5
229.78333	0.3
237.07442	0.3
239.03297	0.3
243.06383	0.5
244.07343	0.4
247.05891	0.4
255.06546	0.4
257.04474	0.7
259.06201	0.3
269.04413	0.5
271.06088	0.7
272.06793	1.0
275.05475	0.6
283.06012	1.6
284.06775	0.8
285.04236	0.4
285.07523	0.5
287.05936	0.3
287.09198	1.2
288.85309	0.4
289.07034	1.1
299.05508	1.7
300.06354	0.6
301.06931	0.5
306.90485	0.3
311.05408	1.2
312.06357	0.4
313.03387	0.9
314.04193	1.4
315.04990	1.8
315.08664	3.2
317.06583	2.8
325.07098	0.6
327.05035	1.8
328.05759	4.4
329.06555	2.7
331.08179	3.2
332.08997	0.7
342.07352	0.4
343.08109	15.2
345.05887	1.4
353.44788	0.3
359.07608	1.0
360.08377	18.4
375.10718	100.0
376.11063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44025	1.5
98.21641	3.5
98.77909	1.6
162.44193	2.4
186.82579	1.7
249.10388	1.7
338.13080	2.0
389.17706	2.8
415.15994	2.5
417.17038	4.4
418.18030	3.5
431.18890	3.1
433.20413	5.7
445.15784	3.2
446.16971	2.0
447.17270	8.7
448.18185	3.2
460.18408	2.8
461.19275	9.0
462.20407	5.6
473.19864	3.0
474.20801	2.4
475.21286	27.1
476.22037	11.7
477.22876	11.5
488.21609	3.4
489.22958	3.3
503.20523	4.6
507.24066	2.5
535.22858	15.1
536.24146	3.3
547.23303	2.6
548.23792	4.4
549.24493	3.4
562.25677	16.6
563.26477	21.7
579.25806	3.3
590.25055	7.4
593.25000	4.2
594.28198	4.4
607.25684	4.6
622.27759	100.0
623.28033	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	621.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03862	2.0
53.03927	3.7
53.35078	1.9
55.01870	10.8
55.05271	2.0
55.05514	28.5
57.03429	7.3
57.06831	3.5
57.07078	40.2
65.42108	2.0
67.05181	3.6
67.05506	51.2
69.01233	2.0
69.03416	3.6
69.07066	17.1
69.28443	11.1
69.28873	14.3
71.04987	5.1
71.08633	28.7
77.88316	2.1
79.05489	35.9
81.03408	9.8
81.07057	100.0
83.04980	20.5
83.08614	23.7
85.02887	5.7
85.06506	2.2
85.10178	14.6
91.05473	22.4
93.07039	30.4
95.04976	24.8
95.08607	41.3
97.06511	5.6
97.10169	23.0
99.04465	5.1
105.07034	17.1
107.04956	6.9
107.08593	17.3
109.06502	8.8
109.10155	20.2
111.04429	22.1
111.08062	7.4
117.07002	9.0
119.08578	18.3
121.06490	10.0
121.10107	11.6
123.08065	34.5
123.11733	4.3
125.09638	18.5
129.07001	4.5
131.08548	11.7
133.10075	3.6
135.08031	6.7
135.11681	12.4
137.09599	6.5
142.70804	2.7
143.08557	5.2
145.10118	14.0
147.08031	8.9
147.11728	4.3
149.09648	4.0
153.09152	3.6
153.12790	11.6
157.10141	4.8
161.09563	4.1
163.11179	15.2
165.09071	3.8
169.10016	2.6
171.11697	4.3
173.09648	2.9
179.10660	2.5
181.12306	12.9
189.11214	29.5
191.10661	8.4
193.12234	4.8
201.33983	2.3
223.13220	8.0
227.12784	22.8
227.17862	2.8
239.23744	5.6
245.19028	3.5
249.14868	2.4
255.17427	2.2
263.20038	2.7
273.18503	28.5
283.15417	3.2
291.19531	82.5
292.19910	3.6
309.20441	3.4
313.27383	50.5
347.21979	3.0
363.18689	2.9
365.23309	24.9
403.19315	2.7
447.21655	2.9
475.21906	3.3
483.36591	3.6
533.25201	3.6
561.24457	11.0
562.25000	3.3
603.46136	17.9
621.27100	25.5
621.38074	4.3
621.47845	19.7
622.28003	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	621.472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19019	1.4
53.03945	1.8
55.01873	7.5
55.05512	7.6
55.49533	1.5
57.03438	21.9
57.07074	20.3
65.03925	3.3
67.05499	41.3
69.07070	7.6
69.82435	1.5
70.22454	6.9
71.04966	1.6
71.08628	14.5
76.38615	1.6
79.05488	21.9
81.07050	32.7
83.04987	4.0
83.08602	7.5
84.16889	1.5
85.06542	11.4
85.10192	7.8
91.05476	20.1
93.07040	19.3
95.04964	46.9
95.08610	18.0
97.06524	5.6
97.10181	4.3
105.07025	20.0
105.13028	1.4
107.04963	6.7
107.08602	12.2
109.06508	59.8
109.10145	7.2
111.08092	2.7
113.05991	26.5
116.06252	1.7
117.07017	10.9
119.08556	10.4
121.06481	4.9
121.10131	4.8
123.08066	3.8
123.11690	2.5
125.09645	1.6
128.06230	2.6
129.07002	5.3
130.07808	1.8
131.08560	14.3
133.06471	2.6
133.10143	6.2
135.08055	40.6
135.09097	2.0
135.11703	3.4
137.06104	2.3
141.06915	2.0
142.07759	2.0
143.08557	6.1
145.10115	10.6
147.08051	8.5
147.11702	3.0
148.25453	1.6
149.09634	3.6
149.13199	1.9
153.08972	1.7
157.10130	5.2
159.08112	2.9
159.11720	5.0
161.09608	7.8
163.11128	1.8
171.11696	1.6
173.13345	2.2
175.11194	2.5
177.12773	3.6
183.11642	1.6
183.81113	1.5
185.13225	2.1
199.14821	2.4
217.15884	14.3
221.10695	1.8
233.15282	2.4
237.16370	1.8
239.23784	2.0
242.10745	1.6
245.19031	1.9
255.17336	2.6
273.18472	37.5
291.19519	100.0
292.20105	2.0
313.27362	47.0
347.22256	4.9
355.13205	1.6
365.23126	10.6
389.17734	5.8
390.18423	2.1
402.18622	3.4
403.19250	7.8
404.19925	3.3
405.20630	2.1
415.15295	2.0
416.16083	3.0
417.17047	6.2
417.21616	2.4
418.16833	2.2
418.21765	3.0
419.22299	8.1
431.18146	9.1
432.19058	3.5
433.19919	2.7
445.20248	7.8
446.21304	7.6
447.21738	13.7
448.21826	2.1
461.19489	1.6
474.20401	4.3
475.21384	13.4
486.21002	1.7
487.21689	3.3
501.22781	2.1
533.25342	13.4
535.23810	2.2
547.23706	1.8
561.24982	41.7
562.25226	9.1
585.45300	4.3
589.24762	2.2
593.27472	4.4
603.46155	27.1
610.03467	2.2
621.27039	93.2
622.27557	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.05997	0.3
79.05484	0.3
95.04976	0.3
98.20707	0.8
122.16901	0.3
154.33768	0.3
160.36903	0.3
193.08766	0.3
209.10643	0.4
230.35170	0.4
323.98724	0.3
361.15118	0.4
373.14484	0.7
374.15472	0.7
375.16183	1.0
377.17712	0.3
386.16574	0.4
387.15979	0.8
388.16852	1.5
389.17654	2.9
390.18420	1.5
391.19373	1.3
401.17715	1.0
402.18674	1.6
403.15454	0.6
403.19482	4.4
404.19980	2.2
405.20755	2.5
406.21503	0.4
414.19077	0.3
415.19839	0.6
416.16266	1.3
416.20975	0.6
417.17096	3.9
417.21124	2.5
418.17755	1.2
418.21884	0.9
419.22443	7.2
420.23010	0.5
429.16443	0.4
429.21378	0.6
430.17862	1.2
430.22516	0.5
431.18149	7.0
431.23621	0.5
432.19089	3.0
433.20007	2.2
443.18860	0.6
444.19724	0.9
445.20096	5.7
446.20966	6.9
446.26614	0.5
447.21732	9.4
448.22330	0.7
458.21548	0.4
459.22849	2.2
460.18176	0.4
460.23291	0.6
461.19788	1.2
463.20947	0.5
473.18628	0.5
473.23752	1.3
473.90430	0.4
474.20303	6.0
475.21243	7.6
476.21909	0.5
487.21396	3.1
488.22003	0.9
491.20251	1.4
501.23120	1.7
505.26917	1.5
518.23120	0.6
519.20392	1.0
529.22559	0.5
533.25513	13.5
534.25891	0.7
561.24957	21.7
562.25336	1.3
589.24292	1.1
593.27515	4.0
621.27045	100.0
622.27374	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	621.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30787	2.6
55.23433	2.1
70.71958	3.3
94.06555	2.1
119.15042	1.8
158.61649	2.0
172.03874	2.8
183.09096	2.6
183.23117	2.1
200.95270	2.3
207.09253	2.9
209.10765	5.5
221.10753	2.7
223.12338	3.0
233.10757	2.3
237.10204	2.6
249.10370	3.5
272.11569	2.4
286.13220	2.3
298.13480	3.3
310.13300	2.8
322.13492	2.2
324.14951	3.2
338.16656	2.6
340.14563	2.5
372.14227	2.1
373.14499	6.5
374.15347	6.2
375.16022	18.9
376.17020	4.0
377.17194	4.0
384.17157	2.3
386.16058	3.5
387.16177	15.7
388.16959	19.1
389.17654	40.5
390.18518	19.6
391.19333	14.6
396.17032	2.5
401.13156	3.9
401.18176	15.0
402.14075	5.9
402.18961	20.2
403.19461	67.4
404.20102	33.6
405.20752	38.2
406.21033	3.3
413.17773	4.6
415.15152	7.7
415.20139	14.5
416.15460	22.2
416.20285	10.6
417.16095	53.3
417.21005	32.6
418.16629	13.7
418.21536	11.9
419.22400	85.0
420.22748	8.6
428.16513	4.5
429.16144	12.6
430.17014	17.3
430.22174	6.4
431.18201	100.0
432.18982	38.8
433.20053	32.5
433.24454	2.4
435.21951	3.1
443.18610	8.9
444.19547	11.1
445.20081	71.5
446.21005	61.4
447.21765	84.6
448.22702	4.6
457.20087	3.8
458.21408	3.3
459.17245	12.0
459.21799	24.4
460.18445	7.4
460.23325	4.6
461.19214	10.9
463.21182	7.2
473.18335	11.2
473.24091	6.1
474.20306	44.3
475.21274	68.1
476.21783	3.2
477.22699	2.5
485.19662	2.7
487.21503	22.5
488.21634	5.9
489.23117	3.5
490.23419	4.0
491.19650	9.8
501.22968	10.4
502.23557	3.1
503.20590	3.7
505.26740	10.4
506.22498	3.3
517.22198	2.4
518.22839	6.9
519.20245	3.2
533.25537	96.6
534.25812	3.6
546.22821	3.0
561.24957	93.4
562.25171	8.4
565.28717	3.0
589.24554	2.4
593.27466	9.9
615.86224	2.9
621.26892	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
66.03849	0.5
66.20741	0.4
79.46295	0.5
113.95919	0.4
195.09029	0.6
209.10616	0.7
215.08292	0.4
219.39034	0.5
245.10599	0.6
345.32968	0.5
374.15256	0.6
375.16022	1.7
376.17249	0.6
387.16147	1.3
388.16858	2.2
389.17578	5.6
390.18314	2.1
391.19305	1.0
399.16727	0.5
401.17621	1.9
402.14090	0.9
402.18500	2.1
403.19360	8.6
404.20013	4.3
405.20795	2.4
415.19293	1.5
416.15430	2.7
416.20834	0.8
417.16882	4.6
417.20877	4.9
418.16837	1.2
418.21503	1.8
419.22363	12.7
420.22791	1.1
428.16348	0.5
429.16544	0.6
429.21307	0.7
430.17966	2.7
431.17981	10.2
431.23508	1.1
432.18744	3.6
433.19849	3.7
443.18509	1.0
444.19598	0.9
445.20154	10.6
446.20868	8.2
447.21783	18.8
448.22571	1.1
457.20792	0.7
458.21442	1.1
459.17206	1.9
459.21823	4.2
460.18982	2.2
461.19138	2.2
473.19431	2.3
473.24249	1.6
474.20352	19.4
475.21246	22.2
476.21674	1.6
487.21469	6.4
488.22046	2.5
489.22797	0.7
490.23535	0.7
491.20468	0.7
501.22760	3.4
502.23599	0.6
503.20337	0.7
505.25470	1.9
517.22272	0.6
518.23077	1.7
519.24396	0.6
520.25061	0.6
525.59540	0.6
529.22229	1.4
533.25458	15.5
534.26013	0.8
546.22668	1.7
561.24963	100.0
562.25305	5.1
589.24304	3.5
593.27582	4.7
621.27063	91.8
622.27344	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	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
62.57907	0.6
67.05417	0.6
69.24935	2.6
69.25365	3.0
81.06969	0.8
87.04375	1.4
91.05357	0.5
93.63496	0.5
95.08471	0.6
98.21539	1.3
105.06910	0.7
131.04755	0.8
157.80032	0.6
216.39966	0.5
221.10568	0.7
242.04337	0.5
247.12262	0.5
264.57104	0.6
326.12500	0.5
373.14587	1.1
374.15292	1.0
375.16080	1.7
385.14673	0.7
387.16104	1.7
388.16644	1.8
389.17548	6.0
390.18655	1.3
391.18826	1.1
400.17087	0.7
401.17484	2.2
402.13953	0.9
402.19089	2.5
403.19437	8.7
404.19998	3.9
405.20883	3.5
415.14691	0.8
415.19290	1.7
416.15604	2.6
416.20511	1.0
417.16879	5.3
417.20883	5.1
418.17117	1.2
418.21719	1.5
419.22397	11.5
420.22931	1.3
429.21225	0.7
430.17825	2.3
431.18088	11.2
431.23492	1.0
432.19067	4.2
433.20035	2.6
443.18588	1.6
444.19275	1.1
445.20236	11.0
446.20908	7.5
447.21918	16.7
457.20508	0.9
459.17175	1.8
459.21857	3.4
460.17639	0.8
460.23001	1.5
461.19571	1.5
472.18707	0.6
473.19348	2.1
473.24426	1.2
474.20404	15.4
475.21292	19.9
476.21634	0.8
478.23679	0.7
487.21432	5.0
488.21823	1.8
489.22772	0.7
491.20856	0.8
501.22763	3.4
503.20404	0.7
505.26093	1.7
518.22937	1.0
529.22327	0.9
533.25421	15.2
534.26257	0.7
546.22461	1.0
561.24945	100.0
562.25537	4.5
589.24054	3.0
593.27753	3.9
621.27057	94.0
622.27679	4.2
643.89813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03716	0.4
53.03947	5.9
55.01862	1.0
55.05501	0.7
57.03417	0.9
60.03943	0.2
60.04514	0.5
61.02911	0.8
65.03920	0.4
66.25909	0.2
66.76768	0.2
67.01858	1.1
67.05491	0.8
67.66026	0.2
68.99779	1.5
69.03429	9.6
69.07043	0.8
70.06601	1.5
71.04992	2.1
72.08138	1.2
73.02903	1.0
79.05489	1.4
81.03419	14.9
81.07042	1.3
82.06549	0.4
83.01343	0.5
83.04951	0.5
84.04498	0.4
84.08141	1.7
85.02422	0.4
85.02904	5.6
86.06060	0.6
86.09706	1.5
87.00833	8.3
87.04436	0.3
89.01250	0.3
91.05492	2.7
93.07041	2.8
95.04947	1.7
95.08572	0.6
97.02888	11.5
99.04458	4.1
102.05553	0.3
103.05457	0.5
105.01176	0.4
105.01864	5.4
105.03382	0.4
105.07024	1.3
107.04967	0.5
107.08594	0.8
109.02881	21.1
109.06509	0.5
109.10163	0.4
110.07150	0.5
111.00793	0.7
111.04435	0.5
115.03904	0.4
115.05429	0.4
116.10748	0.4
117.01823	0.9
117.03344	0.3
117.07021	0.4
119.04933	0.8
119.08581	1.6
120.08089	0.5
121.02869	3.7
121.06499	0.5
121.10139	2.6
122.10438	0.4
123.04423	0.3
123.11721	0.3
125.06017	0.3
127.03918	30.5
128.07166	0.2
129.01862	0.7
129.07004	0.4
129.10228	0.3
131.08563	0.7
133.02888	0.4
133.10112	0.6
135.04471	0.3
135.08003	0.4
135.11748	0.3
137.02365	1.2
137.05998	1.6
139.03882	0.4
143.08585	0.3
145.02913	0.6
145.04939	1.7
145.06497	0.6
145.10167	0.4
147.02792	0.3
147.03128	0.3
147.04413	3.2
147.11674	0.4
147.47273	0.2
148.04736	0.5
149.05981	0.4
149.09624	1.0
151.03889	0.4
153.00714	0.4
153.01837	4.3
154.08653	0.3
157.06459	0.4
157.10162	0.4
159.02905	2.8
159.11693	0.4
161.05957	0.4
163.03969	0.3
165.01836	1.8
167.07007	0.5
167.10699	0.3
171.02972	0.3
171.04341	0.4
175.03864	0.5
175.07535	0.4
177.05458	1.6
178.05917	0.3
183.02875	1.0
185.05989	0.4
189.05457	0.4
189.09190	0.4
195.02927	0.3
207.06465	0.6
208.09763	0.3
212.16458	0.6
213.03767	2.3
213.05783	1.1
215.10571	0.3
230.17606	0.3
231.04761	2.2
231.07019	0.3
241.04929	0.8
258.05292	1.2
259.06085	0.3
269.04474	0.3
287.05493	100.0
288.05606	1.3
290.90527	0.2
291.10248	0.3
299.03983	0.3
303.05115	0.4
395.07489	0.5
411.20825	0.3
604.58234	0.3
621.31061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75787	1.0
51.97538	0.9
52.04524	1.0
53.03946	8.4
54.15226	0.9
55.01872	16.3
55.05515	8.9
57.03438	6.7
57.07077	1.4
61.02919	2.0
65.03940	2.5
67.05504	45.9
69.03429	36.2
69.07066	8.5
70.64877	3.5
71.04995	10.9
73.02910	9.6
79.05491	26.7
81.03416	36.8
81.07057	46.9
83.01358	1.1
83.04985	4.1
83.08617	5.2
85.02904	21.0
85.06538	1.5
87.04457	1.2
91.05480	15.9
93.07044	37.7
95.04982	5.0
95.08607	39.9
97.02892	37.1
97.03519	2.0
97.06516	1.4
97.10162	2.5
99.04454	64.7
101.01786	0.9
101.02357	4.4
101.06008	1.0
103.05538	1.2
105.07031	13.2
105.71814	0.9
107.04961	1.0
107.08596	19.0
107.59130	1.1
109.02882	38.4
109.06511	1.4
109.10156	23.4
111.04436	8.2
114.58810	1.1
115.03954	2.0
115.05480	0.9
117.07012	7.3
119.08578	13.8
121.06459	1.1
121.10143	20.0
121.11005	1.2
123.08098	1.5
123.11709	10.8
127.03916	100.0
129.05486	3.0
129.06989	2.1
131.08560	11.7
133.10132	10.1
135.08064	1.3
135.11684	13.9
137.09605	1.8
137.13275	3.3
143.08574	2.0
145.04950	18.7
145.10112	8.6
147.11681	8.3
149.09726	1.0
149.13263	5.4
151.11156	1.7
157.10165	1.5
159.08099	1.1
159.11690	7.3
161.13257	5.5
163.14873	4.7
165.12799	1.4
171.11693	2.1
173.13272	6.4
175.14801	1.9
176.93338	0.9
177.16594	1.1
180.08719	1.6
187.14876	3.3
201.16237	1.0
205.15932	1.1
241.19464	2.1
243.21107	6.3
259.20547	6.3
261.22116	21.8
273.22226	1.2
277.21631	8.3
279.23184	6.3
283.01971	1.6
294.21185	1.1
297.61517	0.9
303.23184	1.2
315.23358	1.7
341.24808	1.5
357.24292	3.2
359.25790	1.4
369.24225	4.9
387.25281	3.5
405.26328	7.6
423.27417	28.7
459.95584	1.0
620.39142	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	618.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97134	0.9
53.03940	4.5
55.01865	2.1
55.05503	3.7
57.03436	2.9
59.04988	2.1
59.94385	0.8
61.02918	2.2
62.20281	1.0
67.05488	2.6
68.99780	1.3
69.03432	6.0
69.07064	3.4
70.06596	1.1
71.04990	16.8
71.33794	1.6
71.34150	1.4
73.02912	5.6
73.06554	3.1
79.05490	6.9
81.03413	7.1
81.07054	24.0
83.04985	1.6
83.87024	0.9
84.04482	3.6
85.02905	9.0
87.00826	2.8
91.05479	17.4
93.07043	23.3
94.85123	1.0
95.04977	1.8
95.08607	4.6
97.02889	11.1
97.06528	2.2
99.04449	2.7
105.01886	2.2
105.07005	3.7
107.05002	0.9
107.08599	10.1
109.02879	13.0
109.10176	3.5
115.03928	2.4
117.07023	3.5
119.08580	31.0
120.04465	2.7
121.06509	1.5
121.10138	2.3
124.78277	0.9
125.25896	1.0
126.05502	3.0
127.03927	12.2
129.01852	2.9
129.07011	1.4
131.08536	1.3
133.10144	1.8
135.11684	19.9
137.09601	2.8
138.05484	1.7
144.06447	1.0
145.04884	1.0
147.02943	1.3
147.04407	1.2
147.08038	16.2
153.12740	100.0
162.07602	1.1
162.30307	0.9
165.09113	5.9
177.05495	1.4
183.10164	4.7
213.03946	4.2
222.88109	1.1
231.05058	3.7
240.05046	2.4
252.04897	1.7
258.05927	1.0
278.61023	1.0
287.10269	1.1
318.08276	2.3
336.09207	5.2
354.10324	3.6
395.13400	7.5
413.14340	8.8
428.33182	1.1
541.84314	1.0
553.23450	1.0
567.28607	1.3
618.30066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83656	1.4
55.44189	1.3
61.02908	1.2
68.90907	1.3
69.03426	3.9
70.62480	4.3
70.62880	2.7
77.90538	1.3
78.04703	2.7
79.05470	6.1
81.03409	3.7
84.08126	1.7
85.02905	7.8
91.05466	4.3
95.04971	2.2
97.02882	4.4
98.21239	2.3
103.05463	1.7
105.01858	1.9
105.07052	2.9
106.04169	1.5
107.04967	12.2
109.02861	4.1
115.05464	3.4
121.06544	1.5
122.03624	1.4
123.04414	5.7
124.05213	4.4
125.06001	1.8
127.03883	5.3
128.06194	3.0
129.06992	5.0
131.04959	2.7
132.05692	2.0
133.06483	5.6
137.05963	1.8
145.06459	2.1
147.04388	2.5
147.08046	3.0
153.05452	1.5
156.05696	1.9
159.02896	1.8
159.08055	6.5
161.06013	7.2
167.07036	100.0
175.07545	22.6
176.04614	1.5
177.05525	3.3
187.07547	19.7
188.73421	1.4
189.09036	2.2
190.07727	2.6
191.07042	10.1
193.08568	2.0
199.07487	7.3
203.08589	2.9
206.07306	2.1
209.08028	3.2
214.07697	1.6
215.08621	1.8
217.08565	1.6
218.07243	3.2
219.08072	2.4
221.09546	3.7
231.08058	3.9
232.08844	1.8
233.09653	4.5
234.06830	1.9
248.08365	1.6
249.09123	5.1
251.07103	1.7
260.08359	2.2
261.09088	5.3
277.08636	4.9
278.09369	2.2
281.11746	6.2
289.08585	5.1
290.09467	1.7
291.10233	1.8
293.11713	3.9
306.08783	3.1
307.09302	2.5
309.11285	8.6
309.14151	1.6
318.71106	1.5
321.11154	12.3
322.11993	2.2
323.09116	2.1
326.11768	1.9
341.13818	24.1
353.13791	21.6
413.69815	1.6
567.60504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01861	0.6
55.05500	0.6
57.03445	0.6
63.02370	0.5
65.03950	0.5
67.05502	0.6
69.03419	1.3
69.07040	0.4
70.02936	0.7
70.06606	2.1
70.62244	0.4
70.62589	1.2
71.04974	0.5
72.08169	0.8
73.02927	0.5
74.02434	0.8
79.05494	0.8
81.03414	3.1
81.07048	0.9
84.04510	0.6
84.08128	0.8
85.02920	1.6
86.06071	3.7
86.09699	1.2
88.04006	1.7
89.03917	5.4
91.05482	6.2
93.07050	1.8
93.95010	0.3
95.04967	1.0
95.08626	0.4
97.02059	0.3
97.02882	1.0
97.16948	0.3
98.06054	0.4
99.04500	0.4
105.07018	1.1
107.08556	0.6
109.02860	1.2
109.06515	0.5
111.32040	0.3
117.03378	16.3
118.03710	0.3
119.04942	11.1
119.08552	1.2
121.06523	2.8
121.10129	0.5
123.04395	0.4
127.03875	0.6
129.10182	0.5
131.04904	0.3
133.10135	0.8
134.03593	0.6
134.04485	1.5
135.04419	1.7
136.06195	0.6
145.02843	46.0
145.10126	0.4
147.04408	35.6
147.11667	1.3
148.04761	0.7
149.05978	6.1
157.10117	0.7
161.13181	0.5
163.03828	0.8
167.06996	0.5
171.11722	0.5
175.03908	7.1
175.11195	0.8
177.05467	100.0
178.05777	0.9
186.05527	1.2
189.12711	1.2
195.06497	0.5
199.11147	1.0
207.06520	14.6
210.09573	0.3
210.14757	0.3
217.12164	1.9
250.10744	6.7
280.11786	9.6
291.15823	0.4
304.15506	0.7
321.09744	1.9
336.09586	0.4
339.10718	0.9
351.10715	0.9
369.11517	0.6
412.26797	0.5
424.19617	2.5
424.73590	0.4
426.53152	0.3
453.57205	0.3
618.27789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33112	1.2
61.17928	1.3
66.49966	1.2
69.03446	1.0
70.06585	5.7
71.58126	2.4
72.08135	1.5
81.56207	1.1
93.07020	1.8
97.02893	5.3
107.08738	1.2
112.05080	7.1
112.07595	3.7
114.10287	2.3
118.06540	21.0
122.02738	1.1
130.06461	2.7
132.08121	6.7
140.07037	2.4
142.06519	1.7
143.07248	1.8
144.08086	12.9
146.06009	64.1
147.04370	2.3
159.09175	5.1
160.07542	1.8
163.03880	4.6
170.05975	4.4
180.08746	1.7
184.02612	1.2
185.54224	1.2
188.07066	100.0
205.07922	2.3
205.09726	32.6
441.10312	2.3
533.58630	1.3
617.26654	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	617.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.05500	13.8
57.03426	11.2
57.07079	41.9
67.05511	39.9
69.07066	21.8
71.05000	4.0
71.08634	26.5
71.58595	6.7
71.58958	4.2
79.05495	29.9
81.07054	44.7
83.08621	11.7
85.10179	16.7
91.05490	49.4
93.07049	35.3
94.52655	4.1
95.08599	32.5
97.10161	7.9
105.07027	58.4
107.08604	20.7
107.09204	4.8
108.07743	3.5
109.10168	16.7
117.07001	9.2
117.73002	3.6
119.08591	46.5
121.10145	15.8
123.11723	7.0
129.07011	11.2
131.08585	19.4
133.10126	33.7
135.11696	17.2
143.08607	9.8
145.10155	22.1
147.11702	47.2
149.13271	11.7
157.10150	9.3
159.11705	22.0
161.13272	34.0
163.11153	4.6
163.14806	4.0
171.11659	11.4
173.13275	14.1
175.14818	17.6
185.13280	14.3
193.98344	4.1
199.14832	6.0
231.21089	8.4
241.19504	42.3
243.20988	4.8
259.20569	100.0
277.21625	6.0
315.23074	8.1
333.24222	47.6
341.30518	93.7
599.50006	6.0
617.51898	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	617.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14854	0.7
53.03940	0.9
55.05499	2.4
56.96563	23.9
57.07065	1.4
62.34098	0.8
65.15437	1.0
67.05502	5.3
69.03438	1.0
69.07061	2.2
70.46471	1.0
70.46812	3.0
71.95261	1.1
79.05489	3.3
81.03426	1.2
81.07049	5.1
83.04977	1.7
83.08621	1.1
84.96036	16.6
91.05488	6.0
93.07054	6.5
95.04972	2.8
95.08600	4.7
97.06538	1.6
98.97591	9.2
102.97102	4.4
105.07027	7.7
107.08613	5.4
109.06506	2.5
109.10168	2.3
110.97601	0.9
116.98627	9.1
117.07039	2.0
119.08593	7.6
120.98076	1.2
121.06454	1.3
121.10154	4.6
123.08086	2.9
124.99101	1.3
125.06036	0.9
125.09627	0.8
128.06236	0.8
128.98637	3.5
129.07027	1.4
131.00174	1.7
131.08560	3.7
133.10088	5.3
134.99654	8.2
135.08067	1.9
135.11705	1.9
137.09608	2.2
137.98410	0.7
141.07088	0.7
142.07733	1.7
143.00134	5.6
143.08574	3.8
144.09377	1.0
144.98120	2.5
145.06538	0.8
145.10156	4.5
146.99626	6.1
147.08052	2.9
147.11687	1.9
149.01205	4.6
149.09682	1.3
151.07556	3.1
153.00745	1.1
155.08505	1.4
155.10675	1.0
156.09390	1.7
157.01602	0.8
157.10124	3.3
158.01225	1.0
158.99693	3.4
159.11697	2.1
161.01216	19.5
161.09659	1.0
161.13264	1.5
162.99121	8.2
163.11241	2.4
165.00739	1.7
165.09137	3.4
167.02266	2.3
167.10710	2.2
169.10182	1.6
170.10916	0.9
171.11726	2.3
173.01250	3.1
173.13234	1.8
175.02750	1.1
175.11288	1.0
175.14760	0.9
177.00755	2.2
179.02245	4.8
180.94763	1.0
181.00220	1.1
181.09972	1.4
181.12257	1.1
182.99698	3.1
183.11736	2.4
184.02869	1.5
185.09737	1.0
185.13290	1.6
187.11131	1.1
189.12787	1.7
190.95374	2.2
191.02330	2.4
193.10085	0.7
195.11899	1.0
198.95862	4.6
201.00694	12.1
203.02327	1.2
203.14345	2.1
207.13914	2.0
208.12360	1.0
209.13460	1.1
216.96872	2.3
219.01736	3.8
221.15324	7.9
223.14679	1.1
224.02245	1.2
224.97386	1.4
228.96965	0.9
240.28242	0.9
240.96866	4.3
242.98514	2.1
246.95789	1.9
246.98076	2.0
258.98029	2.3
264.96881	8.5
264.99112	0.8
267.33557	0.8
282.97943	18.7
283.00851	1.2
286.19592	1.6
287.98563	1.0
300.99017	15.5
305.99625	2.1
317.17877	19.7
324.00674	1.1
335.18954	12.5
357.01892	2.5
358.20605	3.3
375.02786	4.3
391.21597	3.5
557.20807	1.7
558.16547	1.0
591.43152	0.9
599.22089	3.3
599.41290	1.5
617.23114	100.0
617.42151	4.7
618.23138	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
60.05639	3.6
68.20119	1.0
69.28105	11.1
70.06584	2.4
72.08150	13.3
81.03409	1.7
81.07047	2.3
84.04499	1.6
84.08131	1.7
85.02905	1.8
89.03925	2.9
89.10773	1.7
90.04263	1.8
91.05463	10.0
92.05811	2.6
93.07036	3.0
97.02877	1.9
97.07656	2.5
98.06053	1.8
98.20816	2.7
107.08572	2.7
108.04465	1.4
108.19036	1.0
109.02871	1.8
114.10285	20.9
115.08694	2.7
115.10600	4.2
117.03389	5.2
118.03699	2.8
119.04928	19.6
119.08559	2.2
120.05255	7.4
121.05560	1.7
126.05515	1.3
127.03818	1.3
131.12895	3.1
137.05956	3.0
145.02831	24.1
146.03145	9.2
147.04404	79.4
148.04733	31.7
149.04941	9.7
149.05995	2.3
150.06293	1.5
156.06529	1.5
156.11272	1.3
168.08669	1.0
175.14819	4.2
177.05463	36.3
178.05807	19.7
179.05971	4.7
193.12038	2.2
217.13379	3.7
218.11681	3.4
218.13643	1.8
219.11977	1.7
221.11571	1.3
245.06287	8.6
253.12901	3.3
257.85757	1.2
260.13937	3.6
261.14334	1.9
265.12759	2.4
277.16373	5.9
278.16812	2.8
283.13785	1.5
289.05298	3.6
355.17221	15.2
373.17126	2.2
397.18292	62.2
398.18817	1.5
415.18188	1.4
441.17328	43.0
511.82413	1.2
573.21484	32.8
616.27081	5.7
617.19916	24.7
617.27100	100.0
618.20618	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01872	10.6
55.05262	2.9
55.05510	33.1
57.03434	6.0
58.99587	8.2
59.04990	1.9
60.01466	1.4
64.62662	1.5
65.03928	2.9
66.76734	1.4
67.05501	28.5
67.98657	1.5
69.03433	11.1
69.07064	8.9
70.06586	5.6
70.20281	6.4
71.04987	4.7
72.04511	3.8
72.91188	1.4
76.02222	33.6
76.04019	2.4
79.05490	36.3
81.03416	52.4
81.07056	57.6
83.04971	24.2
83.08617	30.8
84.04495	14.1
84.08146	2.2
85.02897	6.5
85.06503	1.9
86.09702	3.8
86.99026	2.2
91.05477	28.6
93.07050	26.4
95.04966	33.7
95.08602	19.6
97.02877	9.7
97.06538	5.4
97.10173	17.9
99.08092	2.7
101.15061	1.7
103.05480	1.5
105.07015	21.9
107.04939	9.5
107.08582	15.6
109.02883	2.9
109.06515	5.1
109.09548	1.4
109.10176	9.2
110.07162	1.6
111.04446	7.1
111.08087	12.0
115.03841	1.9
116.01689	8.7
117.07019	7.2
119.04955	3.7
119.08578	25.7
121.06506	6.9
121.10146	13.5
123.04412	2.2
123.08061	19.0
123.11750	2.0
124.68893	1.6
125.09617	11.6
129.06996	8.2
130.04988	5.7
131.08589	14.1
133.06485	3.3
133.10130	12.3
134.30186	1.5
135.08087	5.1
135.11673	4.2
136.06161	4.7
137.09605	7.3
142.03203	4.9
143.08556	4.4
144.01207	5.3
145.06068	1.7
145.10115	6.7
147.08064	11.9
147.11673	11.5
149.05986	3.3
149.09621	7.7
153.12680	2.7
157.10143	12.4
159.11737	3.3
161.09674	4.3
161.13287	1.5
162.02194	19.8
162.07599	12.4
163.11162	7.5
165.09096	4.7
165.12740	1.8
171.11621	2.7
175.11176	10.6
179.04840	39.3
181.12291	3.8
184.07446	1.8
187.13255	2.1
189.11223	10.1
193.12227	37.4
194.17368	1.7
205.12349	1.9
211.13284	100.0
223.13252	19.7
227.12831	2.5
231.17548	1.6
233.05937	8.9
239.12834	5.8
245.05861	2.2
245.15518	1.7
249.14870	2.0
255.17471	3.8
263.20038	2.0
273.18472	21.4
287.05417	4.2
288.05826	5.1
291.19537	58.4
308.09079	28.9
309.20691	14.8
344.34103	1.5
352.08792	2.1
469.21948	3.8
626.90717	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	616.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01868	2.6
55.51067	1.1
56.05031	1.2
57.03442	1.3
60.70742	1.1
65.03935	1.9
67.05501	1.9
69.03423	2.2
69.57823	1.0
70.06582	4.0
71.04979	3.3
71.34770	1.3
71.35093	1.9
72.08154	1.6
73.02886	1.8
75.04480	4.3
77.16702	1.3
78.04697	2.8
79.05492	3.8
81.03428	2.6
81.07038	2.1
83.06087	2.2
84.04473	1.1
84.08135	2.6
85.02911	11.6
86.09715	2.1
91.03963	1.1
91.05483	13.3
93.03415	9.9
93.07051	8.4
95.04975	6.7
95.06100	1.4
97.02887	3.1
97.06538	2.6
98.20975	1.7
103.05482	9.2
103.43864	1.1
105.07027	16.4
106.04169	24.7
107.04971	3.5
110.07166	24.0
110.07878	1.9
112.56724	1.1
115.05457	2.4
117.03347	1.8
118.04107	2.7
119.04955	2.3
119.08652	1.1
121.06506	25.4
121.10127	1.5
123.04425	1.9
123.07967	1.5
124.98118	1.0
125.05957	7.2
130.04015	1.0
131.04909	4.1
133.06485	14.7
134.03633	5.1
135.04451	1.8
135.08090	1.4
136.06189	23.8
137.05962	4.9
138.05528	3.7
138.06798	1.1
139.07521	2.8
143.06009	1.2
145.02876	2.6
145.04926	1.2
147.04378	1.3
148.05168	3.4
149.04779	2.4
149.05978	41.9
150.07758	1.2
151.07599	1.7
152.08189	1.2
153.05490	1.9
153.09109	12.4
156.06548	3.8
156.07703	5.3
161.05986	36.9
162.07738	13.4
163.03818	2.2
163.07538	3.6
167.07091	2.0
177.05476	27.3
181.08577	18.5
191.07016	14.2
193.08604	33.3
194.08835	1.2
209.08090	100.0
302.18735	1.5
303.05045	1.2
304.05048	1.5
304.15427	1.9
305.05350	1.6
330.19370	1.3
347.31143	1.3
383.14713	1.5
387.14151	1.9
422.23563	4.0
440.23840	8.0
454.23038	5.7
598.26807	2.7
608.31274	1.2
616.27582	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	616.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03934	1.6
55.01861	2.9
57.03430	0.9
61.02922	1.7
65.03937	3.4
67.05505	1.4
69.03423	1.4
69.55183	4.3
69.55611	2.3
70.06590	3.1
70.66531	0.8
71.04993	0.8
72.08144	2.1
73.02917	1.8
73.80431	0.8
75.04482	4.6
78.04720	2.1
79.05489	3.7
81.03422	1.8
81.07040	0.8
84.08147	1.2
85.02908	6.5
86.09715	1.5
89.03932	1.6
89.06030	0.9
91.05472	12.2
93.03394	11.0
93.07043	6.9
95.04966	7.3
97.02888	2.3
97.06515	2.9
103.05459	9.4
105.07022	12.2
106.04166	28.3
107.04950	3.0
107.08615	1.2
109.02883	1.2
109.06545	1.0
109.10104	0.8
110.07185	2.9
114.10325	1.1
115.05464	3.0
117.03423	1.6
118.04150	1.4
119.04920	1.9
119.08550	1.0
121.06496	29.7
121.10103	2.1
122.07192	0.9
123.04410	1.9
124.05179	1.2
125.05980	9.1
127.03901	1.3
131.04924	4.7
133.06483	11.6
134.03633	4.7
135.04382	1.8
136.06189	2.9
137.05994	3.3
138.05560	1.8
138.06746	1.6
139.07547	3.4
145.02817	3.4
145.04987	0.9
146.03117	0.8
147.04416	3.9
147.07996	1.5
148.05132	2.8
149.05972	49.6
150.07730	1.8
151.07533	2.3
152.05687	4.2
152.06931	1.3
152.08267	1.1
153.05476	1.4
153.09090	13.5
156.06615	1.5
161.04625	1.2
161.05972	19.8
162.07671	3.8
163.03928	1.3
163.07491	4.1
165.05502	1.4
166.06245	1.4
167.07091	2.7
177.05460	22.6
181.08577	22.5
191.07024	23.0
193.08609	23.9
209.08076	100.0
319.34711	0.8
383.15045	1.0
387.14291	1.5
419.17108	1.0
454.23367	0.9
615.76282	0.9
616.26685	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	616.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69904	1.6
55.01874	2.8
67.05487	5.3
69.03424	7.8
69.42455	15.9
70.02943	2.1
70.06577	4.2
73.02910	14.1
79.05499	8.6
81.07047	7.8
85.02894	5.3
85.99420	2.0
88.03990	23.8
91.05478	21.0
92.07290	1.7
93.07042	44.5
95.04936	4.8
95.08602	16.5
95.25928	1.8
95.67922	1.6
97.01082	1.7
97.02890	3.3
98.21488	3.3
103.05476	1.6
105.07024	8.1
107.04918	2.1
107.08587	12.0
109.06483	2.7
109.10128	5.0
112.07574	1.9
115.03870	2.3
117.07014	4.4
119.08582	54.1
119.09467	2.6
121.10135	15.4
122.02723	13.1
123.08084	2.3
125.04224	2.8
127.05772	6.5
132.01178	2.4
132.05707	1.7
135.08057	10.7
137.09569	7.1
140.07016	2.9
147.04437	2.2
147.08051	28.3
147.58141	1.8
151.05774	2.9
153.07370	2.3
153.09096	8.3
160.59673	1.9
165.09114	37.2
183.10168	11.2
199.07870	7.4
208.56239	1.6
210.49155	1.9
216.98352	1.7
217.08913	13.6
242.75700	1.8
282.59076	1.8
286.10950	2.2
287.09470	8.4
304.12122	100.0
322.13309	3.3
329.89325	2.0
466.17166	4.1
472.41089	2.0
522.58514	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
60.05630	2.4
60.11975	0.5
60.62831	0.5
61.02874	0.5
65.03922	1.1
67.81740	0.6
69.25941	6.5
70.06567	1.3
72.08150	11.5
74.83046	0.5
81.03416	1.0
85.02879	0.6
86.09724	0.5
89.03909	2.7
89.10763	1.2
91.05477	7.9
97.07634	2.7
98.06019	1.1
104.33047	0.6
114.10287	17.9
115.08672	2.2
117.03369	9.0
119.04937	20.7
129.10310	0.6
131.12030	0.6
131.12874	3.2
133.10161	0.7
134.03613	0.9
135.04332	0.7
142.76677	0.5
145.02843	29.8
147.04404	100.0
148.04738	1.9
149.05980	2.7
177.05461	46.6
178.05811	1.4
194.91466	0.5
217.13315	3.7
218.11716	4.3
235.14418	1.0
260.13998	5.2
277.16534	7.7
278.16696	0.5
287.05554	0.7
302.14987	0.8
319.17725	1.3
321.09534	0.8
344.16290	1.0
394.83917	0.6
554.88550	0.6
598.70294	0.6
615.26587	91.1
616.26685	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	615.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54711	0.6
55.02748	0.7
55.02985	3.5
55.05520	3.1
55.05753	0.5
57.03418	0.9
60.04517	1.9
60.05640	2.2
67.05498	1.5
69.03427	1.7
70.06593	2.1
71.04974	1.5
71.57500	1.2
72.08152	18.4
73.02905	0.5
75.49241	0.5
76.78108	0.5
78.60670	0.6
81.03411	1.0
81.07076	0.5
82.02930	1.1
83.01307	0.5
83.04978	3.9
85.02901	6.1
89.10786	1.1
91.05501	2.5
93.07031	1.3
95.04951	0.6
97.02892	1.6
97.07645	15.2
97.08242	1.0
98.02422	2.4
98.06068	0.9
99.00816	0.9
99.04482	0.7
107.04974	2.0
109.02833	0.5
110.02396	21.4
110.03167	1.0
110.07152	0.6
111.04408	2.8
114.10282	22.6
115.08706	3.9
117.03365	1.1
119.04937	6.9
121.02951	0.7
121.10139	1.3
122.06043	0.5
122.10497	0.8
127.03896	0.7
129.05479	1.6
131.12897	3.3
139.03899	1.5
140.08192	1.0
145.02838	8.8
145.06528	0.9
147.04399	36.6
149.05936	0.8
152.07057	29.7
156.11392	0.8
163.03951	0.7
166.09804	0.8
169.09723	1.9
170.08121	1.8
177.03871	1.2
177.05455	23.5
178.05853	0.7
180.66479	0.5
194.09256	18.3
211.11971	1.2
212.08475	1.3
213.09053	0.9
217.13306	3.3
218.11815	2.7
223.07738	0.9
228.15579	0.5
237.09134	1.6
247.07703	0.8
247.14325	1.3
248.12825	1.0
260.13925	3.7
265.08484	0.7
277.16571	12.2
277.19495	0.7
283.10004	0.6
290.15060	1.3
293.08109	0.8
307.17566	3.5
326.12085	0.8
364.15448	0.8
365.78568	0.5
406.17682	1.1
407.14478	0.6
423.20248	2.7
439.17105	1.6
441.21310	1.4
453.23270	0.7
569.25977	1.6
597.25635	6.8
615.26947	100.0
616.27319	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2449
Annotation	C11829
Peak:m/z	Relative Intensity
55.05424	1.0
55.05659	0.7
67.05371	2.6
69.06973	0.9
70.16169	3.1
79.05375	1.2
79.05784	0.7
81.06902	1.9
83.08526	0.8
84.90696	0.6
90.24646	0.7
91.05326	2.1
91.90932	0.6
93.06039	0.5
93.06869	2.1
94.76121	0.6
94.94001	0.6
95.04845	1.1
95.08481	1.0
97.06359	0.7
105.06857	2.5
107.08421	1.8
109.06374	0.7
109.09998	2.1
119.08405	2.3
121.09972	1.7
129.06859	0.7
131.08374	1.9
133.09949	1.5
135.11594	1.2
142.07593	0.9
145.09995	1.2
149.09460	0.9
157.09969	0.9
158.20949	0.6
159.11577	0.7
161.13058	0.8
173.09599	0.7
173.12901	0.7
183.11569	0.9
195.11461	0.8
209.13084	0.7
331.47324	0.6
362.73380	0.6
383.79022	0.7
407.25949	0.7
410.13501	1.5
411.14459	1.6
412.15585	1.2
413.16153	0.7
414.17038	0.8
423.14407	0.7
424.15091	1.9
425.16031	6.4
426.16928	3.1
427.17874	3.1
437.16064	1.5
438.16693	2.4
439.18011	10.2
440.18466	7.5
440.30310	0.6
441.19131	2.5
442.19843	2.7
452.14246	4.0
453.15466	31.5
454.15427	1.9
454.20081	3.8
455.20905	29.3
456.21112	1.5
466.16098	2.3
467.17075	31.4
468.17697	8.2
471.15891	0.7
481.18793	6.6
482.19257	30.5
483.19901	3.2
485.17712	3.2
494.18573	1.3
495.20413	1.1
496.21402	1.0
498.23386	3.7
499.19849	1.8
500.20074	0.9
508.19986	0.9
509.21457	1.0
512.20581	1.1
514.22064	4.0
521.21362	0.9
523.20898	0.6
527.22565	3.0
528.23230	0.8
537.21564	0.7
540.19720	0.8
555.22388	100.0
556.22314	3.1
583.21912	26.1
586.20557	3.0
587.24957	3.8
601.23004	1.3
615.24371	52.9
615.40265	1.8
616.24622	0.8
622.71729	0.7
643.70862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61716	1.1
53.03947	5.9
55.01858	2.9
55.05508	10.2
56.05042	2.5
57.03440	16.1
57.91530	1.4
57.98806	1.6
58.99585	21.9
61.02915	1.9
65.03912	1.7
67.05505	19.8
69.03435	5.2
69.07060	5.3
70.06590	2.9
70.13701	7.2
71.04992	5.3
72.04522	2.6
73.01123	1.4
73.02916	5.0
74.37109	1.2
75.04454	1.7
76.02225	84.5
76.03998	3.6
78.44214	1.2
78.49109	1.2
79.05490	18.5
80.05020	2.7
81.03427	10.7
81.07051	26.2
83.04983	25.9
83.06085	9.2
83.08618	3.4
84.04503	23.8
84.08163	2.9
85.01098	1.5
85.02906	6.3
85.06534	4.9
86.00657	2.3
86.09680	1.9
86.99048	7.8
88.02200	1.8
89.87073	1.2
91.05479	20.7
93.05780	4.4
93.07045	17.9
95.04968	10.0
95.08601	15.9
96.04496	1.9
97.01115	2.4
97.02885	6.3
98.00649	3.0
98.06063	2.1
99.01418	1.5
99.02714	2.5
99.04459	2.2
99.05589	2.0
100.02188	2.7
103.05477	1.4
105.07034	15.7
107.04951	19.2
107.08578	7.6
108.08180	1.4
109.02905	1.9
109.06529	10.1
109.10168	4.5
111.04447	21.8
111.08066	2.1
112.02191	3.3
113.06034	3.2
114.03741	2.9
114.18472	1.5
115.03952	1.8
115.05468	1.9
116.01678	22.7
117.07017	10.1
119.04962	1.9
119.08572	10.2
120.04493	2.1
121.06503	5.4
121.10164	5.5
123.02705	2.2
123.08087	4.8
124.02182	3.1
125.05988	3.1
126.03742	60.0
126.05522	6.6
127.02118	2.3
127.04585	2.2
128.05292	5.6
128.06209	2.1
129.05589	1.7
129.06699	4.4
130.05013	7.8
131.08553	12.7
133.06497	4.8
133.10141	7.2
135.08017	6.7
135.11690	5.3
136.06166	4.6
137.05995	3.3
137.09605	2.2
138.05531	3.5
139.08636	1.4
140.05283	7.0
141.03783	1.6
141.04825	5.3
141.06984	4.1
142.03210	12.0
142.06799	1.8
143.08543	4.2
144.01152	13.5
144.06610	1.6
144.08104	1.5
145.06441	6.6
145.10097	6.8
147.08041	8.8
147.11697	3.0
149.05986	2.8
149.09569	2.0
149.13255	3.3
151.07602	1.5
152.05359	1.6
153.06592	3.7
155.08521	2.9
157.10139	3.7
159.08092	5.6
159.11716	5.9
161.09610	6.8
162.02202	31.2
162.07628	9.3
163.07553	2.1
163.11171	4.3
164.05302	3.6
168.04868	3.1
169.10097	3.1
170.02675	8.7
171.11623	1.8
173.09683	2.3
173.13173	1.9
175.11334	1.9
177.03285	1.6
177.12723	11.3
177.31055	1.4
179.04854	53.1
183.07704	4.5
185.03864	5.6
186.07770	1.5
186.65588	1.4
187.05354	16.2
187.11206	3.6
187.14838	3.1
199.07162	2.3
201.16377	1.5
204.08733	8.9
205.15912	4.7
215.04860	4.7
219.13881	2.2
229.06476	7.2
231.04341	8.9
233.05910	59.9
233.15324	6.7
243.07976	6.5
243.17432	3.8
245.05888	4.8
253.16017	2.0
261.18457	7.8
271.16949	7.4
272.07672	1.6
287.05701	1.6
289.17978	49.1
290.08139	3.6
290.18661	2.0
291.06207	1.8
303.14157	3.3
307.19055	11.6
308.09097	29.1
320.16806	2.9
321.15170	12.8
328.17166	2.9
336.09299	2.0
344.13501	1.4
346.18317	11.2
364.19400	36.6
374.17923	4.2
392.18661	3.0
397.00928	1.6
403.20691	2.7
421.21420	2.6
431.19891	1.9
449.21042	70.4
467.22107	100.0
468.22531	2.9
475.22638	1.6
512.32910	1.3
539.24060	17.7
596.26068	2.2
614.27307	4.1
614.35968	2.6
625.01074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.00292	2.4
53.19156	2.2
55.05507	18.2
56.80341	2.2
57.03436	5.3
57.07074	3.2
67.05170	4.4
67.05502	51.8
69.07066	19.3
69.60162	2.4
71.57387	3.0
71.57754	4.3
79.05488	32.3
81.07058	56.6
83.08614	8.9
85.06528	3.7
88.13751	2.2
91.05489	27.9
91.86707	2.5
93.07045	39.0
95.08603	47.9
97.06516	3.8
97.10179	5.6
99.08099	2.4
105.07044	23.8
107.08593	22.1
109.10157	21.7
117.07020	11.0
119.08589	24.5
121.10171	18.5
123.11711	8.3
129.07001	4.5
131.08574	18.1
133.10124	16.6
135.11719	15.9
137.05988	2.9
143.08571	7.3
145.10127	16.2
147.11682	20.1
149.13239	9.6
157.10083	5.7
159.11674	13.9
161.09418	2.3
161.13239	15.2
161.28830	2.3
163.14856	4.8
169.10114	2.9
171.11731	5.9
173.13257	10.8
175.14807	3.9
185.13245	3.7
187.14865	6.0
189.16399	3.7
199.14809	3.7
201.16301	3.5
227.18031	2.9
241.19540	3.8
257.19110	3.0
259.20544	7.8
261.22147	13.7
263.23553	2.8
308.23224	2.3
317.24780	4.1
333.24271	6.4
335.25879	19.1
337.27463	10.7
521.43555	5.8
554.73047	2.9
595.47235	11.0
613.48206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01877	1.5
57.03438	3.5
60.04529	1.2
60.57532	1.1
66.50526	1.0
69.03426	5.8
70.06592	3.8
71.47733	2.5
72.08137	1.9
75.04482	1.5
77.64679	1.1
79.05493	11.6
81.03415	1.6
81.07067	2.1
84.08141	3.3
85.02911	5.1
86.09686	3.5
90.24036	1.0
91.05485	8.5
93.07040	65.1
95.01308	1.6
95.04967	2.8
95.08569	1.1
97.02879	1.4
105.07039	10.2
107.04949	1.7
107.08582	11.7
110.07162	1.6
119.07254	1.1
119.08576	3.1
120.08094	1.3
121.06525	2.5
121.10142	100.0
123.08081	2.9
129.10249	1.4
131.08589	8.4
136.06190	4.4
138.17725	1.2
141.01807	3.6
145.02853	2.0
147.04420	1.4
149.09613	74.9
150.07692	1.3
163.79716	1.1
167.10652	12.2
177.05539	1.2
179.06934	1.3
220.24065	1.0
223.13341	4.2
227.31354	1.3
241.14345	37.4
288.13089	1.1
325.12964	4.3
399.16592	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
55.05517	27.9
57.03435	8.5
57.07080	6.7
65.03930	5.9
67.05170	7.2
67.05507	92.1
69.07059	24.3
70.63616	15.2
77.08695	4.4
77.44560	4.9
79.05062	5.5
79.05487	50.6
81.07058	91.2
83.08614	14.6
91.05482	41.1
93.07045	58.1
95.04975	9.5
95.08611	77.1
96.13709	4.1
97.06498	6.8
97.10149	6.8
105.07020	46.1
107.08613	34.0
109.10146	38.0
115.05422	5.1
117.07021	15.6
119.08583	39.1
121.10135	28.0
123.08052	4.4
123.11673	12.7
129.07021	5.2
131.08566	34.0
133.10162	27.4
135.11665	29.2
137.13229	6.7
143.08542	9.1
144.09286	6.9
145.10098	34.0
147.11699	22.2
149.13225	10.1
157.10149	14.4
159.11705	25.1
161.13260	11.1
163.14764	6.7
171.11723	10.1
173.13242	12.3
175.14856	9.7
183.11693	5.3
185.13280	14.1
187.14836	11.5
189.16515	4.6
199.14890	5.3
201.16383	4.6
215.17928	5.9
241.19489	5.4
259.20645	11.9
261.22141	13.6
315.22699	4.8
333.24271	9.4
335.25778	22.2
337.27209	9.8
352.25931	4.5
521.43567	9.5
523.98645	4.4
595.46802	12.1
613.48267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03939	1.7
53.65141	1.3
55.01891	1.8
55.05510	15.3
57.03422	4.8
57.07071	4.9
58.56826	1.6
61.43803	1.5
65.03906	1.6
67.05503	30.3
69.07065	16.0
71.08635	2.0
71.49318	1.3
71.58174	1.6
71.58588	2.4
75.25899	1.5
79.05489	16.7
80.89091	1.4
81.07057	30.7
83.08614	9.9
85.06551	2.1
91.05492	18.7
92.78259	1.5
93.07040	21.7
95.04957	4.3
95.08604	22.4
97.06529	3.7
97.10167	5.2
105.07025	18.6
106.07370	1.6
107.08580	13.6
109.10187	8.2
117.06995	7.9
119.08584	25.3
119.09367	2.4
121.10143	8.6
123.11738	3.8
124.55162	1.3
125.09668	1.6
128.06267	2.5
129.07018	7.9
131.08559	19.5
133.10120	10.0
135.11699	6.7
141.07034	1.8
143.08568	10.4
145.10126	21.0
147.11662	8.5
149.13251	4.4
155.08574	4.2
157.10158	7.1
157.11337	1.5
159.11708	7.8
161.13301	7.0
163.14853	2.9
169.10123	4.4
171.11676	5.0
173.13297	6.9
175.14833	4.7
176.88123	1.5
179.14268	2.5
181.10146	2.7
183.11656	3.7
185.13284	6.1
187.14812	7.2
189.16409	3.2
197.13229	3.4
199.14847	5.4
201.16412	4.1
204.08238	1.7
209.13274	3.1
211.14825	3.5
212.92145	1.5
213.16414	3.8
215.17987	2.4
225.16187	2.3
227.18016	2.6
229.19626	1.8
231.21082	3.4
241.19550	2.1
255.21126	1.9
277.21829	2.2
313.25156	1.8
413.35318	1.6
521.36597	2.6
521.43530	13.9
539.44617	5.4
595.47327	8.6
607.99078	2.1
613.48151	100.0
614.48462	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	613.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72419	3.5
53.03954	6.0
55.01873	30.0
55.05511	87.7
57.03434	8.1
57.07075	5.0
59.04983	7.7
63.45786	3.9
67.05504	89.3
69.03417	7.4
69.07069	56.6
69.94611	11.2
69.95038	13.6
71.04995	6.1
79.05492	66.3
81.03416	6.1
81.07053	100.0
83.04988	14.1
83.08617	54.6
84.04499	12.6
85.06562	6.8
89.50794	4.7
91.05471	61.2
93.07045	59.4
95.04973	18.6
95.08050	5.6
95.08611	61.7
97.02861	5.2
97.06527	34.9
97.10166	54.2
103.05430	5.2
105.07031	57.5
107.04985	7.4
107.08595	62.7
109.06545	11.4
109.10138	33.9
111.08080	11.4
115.05401	4.7
117.07008	28.4
119.08593	44.3
121.06534	7.2
121.10149	34.2
123.08053	9.5
123.11736	7.0
125.09632	48.8
128.06255	9.1
129.06989	20.7
130.05005	9.3
131.08565	41.5
133.06502	7.5
133.10132	29.7
135.08051	22.3
135.11694	16.1
137.09599	9.5
139.11180	5.6
141.07005	9.8
142.07838	5.0
143.08531	33.0
145.06480	12.5
145.10159	33.0
147.08061	9.4
147.11684	17.7
149.09593	9.5
149.13303	8.2
153.09148	10.0
155.08559	19.0
155.10516	4.2
157.10110	31.6
159.08069	11.2
159.11665	27.2
161.09610	10.3
163.11177	10.3
167.08632	6.5
168.09265	4.5
169.10158	18.6
171.11659	25.8
173.09671	8.8
173.13284	10.9
175.11206	7.9
177.12888	6.2
181.10147	11.4
182.10834	4.6
183.11697	19.8
185.09467	4.5
185.13298	16.2
187.11220	7.5
193.10149	8.7
195.11601	8.6
197.13286	15.6
199.14827	9.9
201.12695	6.4
201.16290	5.0
203.12726	24.6
205.15773	5.0
207.11813	6.8
207.13673	6.3
209.13246	13.1
211.14888	8.2
213.12782	8.5
213.16422	12.2
221.15338	4.9
223.14836	6.1
225.12740	5.4
239.17979	5.3
241.15845	5.2
251.17868	4.4
255.17323	4.9
257.19171	5.7
273.18600	7.3
275.20184	8.2
281.19009	4.1
289.21667	16.4
291.19659	4.6
291.23190	4.8
301.21667	6.5
305.20868	4.5
313.21524	7.1
315.22891	5.3
327.23257	4.6
343.22687	4.9
381.27902	7.2
383.59897	3.9
395.29370	13.4
397.31433	7.0
411.32541	4.8
413.30606	21.6
451.32538	5.5
469.33054	5.8
483.34619	9.2
501.35522	6.0
513.36731	6.3
531.38080	6.9
545.39209	5.7
551.92334	5.3
563.40973	5.9
581.41779	15.0
595.43744	29.8
606.28467	7.0
613.45111	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.1
67.05492	6.3
67.23072	1.7
69.07066	2.4
71.58589	3.2
78.81573	1.7
79.05475	3.7
81.07044	8.1
91.05457	3.5
93.07007	4.0
95.08602	3.7
105.07038	4.6
107.08608	2.3
113.09754	1.8
117.07017	2.0
121.10135	3.6
129.06934	2.1
131.08571	3.6
138.09253	2.3
149.09653	2.8
169.10202	2.2
174.09160	3.9
187.12334	3.7
188.10712	3.0
192.08986	2.0
197.07037	2.0
215.11737	3.3
215.92020	1.7
225.10271	2.4
227.11844	4.4
239.11827	2.4
241.13354	5.0
243.11290	14.8
249.10362	2.8
251.11642	2.3
267.11298	6.2
269.12888	8.4
271.10703	2.1
277.09674	3.4
287.13831	3.8
295.10861	5.8
311.13965	4.5
313.12286	2.0
316.11038	2.8
316.14435	2.6
320.13754	2.1
327.13486	6.8
328.10867	2.5
328.14508	1.8
330.12393	4.3
330.15979	2.1
342.12619	3.6
343.13217	2.4
344.13852	3.2
345.14728	2.0
346.15643	2.7
348.13419	8.0
357.14658	2.6
358.15512	5.5
370.15390	3.3
372.17053	4.3
374.14795	3.0
403.15796	2.2
418.17612	5.0
446.17117	2.6
465.18668	11.1
478.20001	5.0
479.20807	3.7
480.21439	3.9
489.22623	1.9
490.20099	3.0
493.18536	3.2
507.23724	5.3
508.20679	3.9
520.21295	2.5
535.23322	17.8
553.24432	88.7
554.24341	3.4
563.22253	4.2
581.23944	100.0
582.24487	4.8
613.26544	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	613.2654
Annotation	Karajinone B
Peak:m/z	Relative Intensity
55.05508	1.5
67.05505	3.8
69.07060	1.5
71.04994	1.2
71.20625	2.6
76.83167	0.9
79.05502	1.8
79.75172	0.9
81.07044	2.1
85.87908	1.1
91.05453	2.5
93.07036	2.9
95.04971	1.5
95.08584	1.3
105.07028	1.3
108.08131	1.2
110.95475	1.0
117.06963	1.5
118.06461	1.3
119.08596	1.3
121.10108	1.6
129.07059	1.3
131.07304	1.8
132.08055	1.6
133.10179	1.8
136.07594	2.6
138.09131	1.5
143.08566	1.6
146.09700	1.5
149.09554	1.2
155.08589	1.5
174.09155	5.2
181.08847	1.1
183.11806	1.4
187.08691	1.2
187.12308	5.1
188.10678	5.2
199.08598	1.7
201.83978	1.0
203.11842	1.1
211.08687	3.0
213.10228	1.6
215.08351	1.0
215.11844	4.1
219.10147	1.3
223.08746	2.8
223.12392	1.0
225.10199	5.4
226.11043	1.9
227.08371	1.3
227.11720	7.2
233.08763	1.0
235.08698	2.8
237.10188	3.0
239.11829	4.1
240.12448	1.5
241.13356	6.3
243.11299	23.1
249.10286	3.0
251.11823	3.2
253.09831	2.7
253.13440	1.1
263.11798	1.5
267.11313	6.3
269.12820	6.8
271.10883	1.5
277.09827	3.0
287.14032	5.0
291.10938	1.3
295.10757	5.5
306.12537	1.3
309.12463	1.4
311.13965	4.6
313.12140	1.6
314.13071	2.2
315.13898	1.3
319.10715	2.1
326.13077	1.3
327.13419	10.8
328.10828	2.5
328.14581	3.1
329.11963	1.9
329.15738	1.3
330.12418	3.0
330.16098	1.5
332.14059	1.9
340.10660	1.5
342.12393	4.3
342.15872	2.3
343.13217	3.5
344.13910	4.0
344.17493	1.6
346.15585	2.3
348.13400	2.4
354.12228	1.8
356.14020	3.2
357.15051	1.8
358.15506	5.2
360.17081	2.1
370.15576	3.9
371.16592	2.7
372.17294	6.3
373.17874	2.6
374.18723	2.5
376.16769	1.9
384.17114	2.2
385.17947	1.8
386.14835	2.5
400.16742	2.5
407.14639	1.6
408.15695	1.2
416.16425	1.3
417.17368	2.0
418.17682	4.4
420.16324	2.6
421.16708	3.2
431.18219	1.4
433.20721	1.5
436.19138	1.7
437.19446	1.7
446.17133	2.6
447.17291	2.0
447.22644	1.7
449.20346	2.6
451.21820	1.9
460.19092	1.4
461.24033	1.5
462.24469	2.1
465.19397	7.7
475.21890	1.2
476.19040	1.5
477.18945	2.7
478.20154	3.4
479.20984	3.5
480.21463	4.6
481.22421	3.7
485.33984	1.2
489.22873	2.5
490.19354	6.6
492.21567	3.0
493.07962	1.4
493.22922	6.3
494.23099	2.3
507.24213	6.7
508.21182	1.8
517.22534	2.6
520.21069	1.5
535.23328	19.5
538.22174	1.3
539.22778	2.4
553.24463	97.4
554.24744	4.3
563.23126	2.7
581.23901	58.0
582.24054	3.1
595.25592	2.6
613.26550	100.0
614.26672	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	613.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97362	0.5
65.03936	1.0
66.69067	0.5
69.03423	1.5
70.06588	1.2
70.39713	1.8
72.08157	31.6
81.03410	0.7
81.32724	0.5
84.08131	0.9
85.02905	2.2
87.38872	0.5
91.05485	9.1
97.02869	1.4
98.06057	0.9
99.05544	0.6
114.10273	1.7
119.04938	22.1
127.06231	0.5
144.03958	0.8
146.73384	0.7
147.04408	100.0
148.04781	0.7
152.08189	1.6
169.10837	1.5
197.10373	3.1
198.08739	1.0
205.08163	1.1
216.06183	1.1
218.11743	2.7
235.14481	0.7
252.10001	0.6
255.50301	0.5
261.12155	0.5
269.12469	1.4
270.10873	2.2
277.16666	2.4
287.13495	4.8
288.11850	0.9
303.04895	1.2
304.05237	1.3
305.05392	1.0
311.13654	0.6
315.14606	1.8
343.13968	2.5
361.15085	3.2
373.14752	0.8
413.17001	1.0
415.16107	0.6
433.17184	23.9
434.15811	1.8
439.21869	4.1
451.18060	2.9
457.16800	1.0
469.17139	0.6
475.18161	2.2
493.19601	1.0
499.17621	0.6
505.19440	6.7
523.20099	0.7
535.20654	0.6
559.19989	0.8
577.20764	0.9
595.22278	10.7
613.23401	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	613.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01900	0.7
55.05536	1.2
57.03456	0.8
61.02941	0.5
61.18517	0.3
63.57402	0.3
64.73611	0.3
65.03970	0.5
67.05543	1.4
68.99825	1.0
69.03429	4.1
70.06622	0.9
71.05015	0.7
71.58260	0.3
72.08175	0.6
73.02942	0.4
75.04509	0.3
75.80381	0.3
77.03954	0.3
79.05490	7.6
81.03415	6.2
81.07079	1.1
83.05013	0.3
84.04520	0.4
84.08186	0.7
85.02904	2.3
86.09714	0.7
87.04502	0.4
91.05478	7.5
93.03457	0.5
93.07042	29.7
95.04971	3.2
95.08640	1.2
96.46503	0.3
97.02882	3.6
97.03403	0.4
99.04500	1.0
103.05515	0.6
104.37072	0.3
105.04572	0.6
105.07018	4.3
106.07855	0.3
107.04979	0.7
107.08594	5.9
109.02883	3.6
109.06573	0.4
109.10191	0.7
110.07210	0.3
111.00838	0.9
111.04478	0.5
111.08105	0.7
115.05496	0.5
116.06269	0.6
117.07032	0.5
119.05013	0.5
119.08577	3.2
121.02881	1.5
121.06536	1.5
121.10142	31.8
123.04469	1.0
123.08125	1.1
127.03924	3.5
127.62035	0.3
129.07097	0.7
131.04939	0.5
131.08551	3.4
133.07625	0.4
133.85394	0.3
135.04478	0.4
136.06151	0.6
137.02339	12.6
137.03314	0.7
137.06020	1.2
139.11221	0.4
140.72269	0.3
141.01848	1.6
141.85783	0.3
145.06512	0.7
147.04448	0.6
149.02368	0.7
149.09621	12.7
151.03954	0.6
153.01825	4.1
154.56219	0.4
155.04875	0.3
161.06067	0.9
163.03883	2.2
163.07590	0.4
165.01820	3.9
167.07039	2.6
167.10635	1.8
171.02902	0.4
173.06003	0.9
175.07570	0.3
177.05499	1.1
181.04993	1.1
183.02951	2.8
183.04387	0.6
187.03899	0.6
191.07066	0.3
195.02893	0.3
201.05453	2.2
201.88776	0.3
213.05699	0.7
217.04959	0.7
219.02956	0.4
229.04953	4.6
241.04991	1.0
247.05896	0.8
257.04446	3.3
259.05972	0.6
269.04517	0.4
274.04800	0.7
275.05533	0.4
285.03864	1.2
287.05511	1.1
293.13815	4.5
303.04984	100.0
304.05322	0.7
311.14825	0.8
315.04971	51.8
316.05411	0.6
327.04965	1.2
329.06580	1.3
339.04922	1.2
341.06982	0.5
345.06079	1.2
353.06412	1.0
355.04288	0.4
355.08078	1.3
357.05981	1.2
387.14413	0.3
395.11108	1.2
423.06967	0.9
423.14279	2.1
433.13257	0.4
451.13910	3.9
469.14877	0.7
577.16748	0.9
595.17981	0.8
613.20117	0.7
613.32947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03961	1.1
55.01894	0.9
55.05527	0.9
57.03185	0.3
57.03456	1.0
62.17257	0.3
65.03947	0.7
65.75101	0.3
67.05530	1.0
68.99808	0.7
69.03430	4.3
69.45638	2.7
70.06593	2.2
71.05007	0.5
72.08159	0.5
75.04488	0.7
79.05492	7.5
81.03417	7.4
81.03905	0.4
81.07077	1.4
83.04984	0.4
84.04482	0.4
84.07292	0.3
84.08146	0.7
85.02895	2.7
85.37018	0.3
86.09731	0.9
91.05479	7.4
91.06007	0.5
92.84726	0.3
93.07039	28.8
95.04969	3.2
95.08634	1.0
97.02888	3.4
99.04464	0.9
102.05536	0.3
103.05460	0.8
105.04513	0.6
105.07022	4.4
106.07866	0.4
107.04980	1.0
107.08590	6.2
107.20896	0.3
109.02889	3.6
109.06548	0.5
109.10168	0.8
111.00814	1.0
111.08093	0.4
115.05494	0.5
116.06284	0.4
117.07021	0.6
119.08582	3.4
119.09335	0.3
120.08118	0.5
121.02853	1.4
121.06529	1.0
121.10138	30.1
123.04439	0.7
123.08089	1.0
127.03918	3.2
129.06996	0.4
129.10254	0.8
131.04977	0.5
131.08556	2.8
133.06525	0.7
133.10208	0.3
136.06133	0.4
137.02338	13.2
137.03284	0.6
137.06015	1.2
139.11246	0.5
141.01817	1.6
145.04965	0.6
145.06438	0.4
145.10115	0.3
147.04416	0.6
149.02361	1.0
149.06061	0.5
149.09608	14.0
151.03886	0.7
153.01823	4.8
155.05057	0.4
161.05995	1.0
163.03906	2.5
165.01831	3.9
167.07004	2.0
167.10701	1.8
171.02962	0.5
173.05969	1.2
177.05449	0.7
179.03426	0.3
181.05011	1.3
183.02898	2.5
183.04362	0.4
185.06001	0.3
187.03902	0.5
188.18169	0.3
189.05495	0.4
191.03448	0.7
193.08554	0.3
195.02931	0.5
199.03918	0.6
201.05476	2.3
201.07126	0.3
205.04988	0.7
213.05467	0.8
217.04976	0.7
219.06522	0.4
227.03320	0.4
229.04958	4.7
229.07056	0.4
241.04932	1.0
247.06067	0.6
257.04416	3.7
259.06073	0.6
261.04044	0.3
274.04672	0.8
285.04010	1.2
287.05380	0.6
293.13788	4.9
303.04977	100.0
304.05371	0.8
311.14728	0.9
315.04962	56.7
316.05496	0.6
317.11331	0.3
327.04895	1.6
329.03003	0.6
329.06558	1.8
339.05057	1.0
345.06171	0.7
353.06473	1.0
355.04266	0.4
355.08215	1.5
357.05981	1.1
367.08383	0.4
395.11307	1.6
411.06998	0.4
423.07483	0.7
423.14203	2.4
433.12427	0.3
451.13977	3.4
469.14627	0.6
559.15796	0.5
577.16522	0.9
595.17877	0.5
608.61713	0.3
613.19366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.4
53.03976	1.0
55.01901	0.8
55.05538	1.1
56.37162	0.3
57.03470	0.8
65.03965	0.5
67.05507	1.2
68.99836	1.0
69.03424	3.3
69.07082	0.3
70.06633	0.9
71.05024	0.7
71.58006	0.3
73.02923	0.3
75.04513	0.4
79.05489	7.4
81.03413	5.9
81.07045	1.2
84.08183	0.7
85.02898	2.2
86.06388	0.3
86.09742	0.4
91.05474	6.3
93.03439	0.5
93.07038	24.1
95.04972	2.3
95.08652	1.1
97.02884	2.5
99.04499	0.9
99.27773	0.2
103.05496	0.4
105.03430	0.3
105.04532	0.5
105.07019	4.5
107.04987	0.6
107.08586	5.8
109.02862	3.1
109.06601	0.5
109.10213	1.0
110.07190	0.3
111.00840	1.1
111.04469	0.5
115.05490	0.5
116.06277	0.6
117.07027	0.6
119.04983	0.4
119.08568	3.2
120.08191	0.3
121.02871	1.5
121.06524	0.9
121.10135	26.5
123.04441	0.7
123.08115	0.9
123.11662	0.3
125.05983	0.3
127.03909	3.6
129.07083	0.6
131.04959	0.6
131.08557	2.9
133.06529	0.5
133.10168	0.4
135.04440	0.4
137.02336	13.1
137.05937	1.4
139.11220	0.5
141.01817	1.9
145.02905	0.3
145.04991	0.6
145.06519	0.6
147.04483	1.0
149.02397	0.9
149.06010	0.3
149.09612	10.9
151.03889	0.4
153.01811	5.1
153.02945	0.3
157.06538	0.3
161.06049	0.7
163.03886	2.2
165.01834	3.0
167.07045	1.6
167.10674	1.5
171.02942	0.8
173.06006	0.7
175.03912	0.4
175.07535	0.3
177.01839	0.3
177.05524	0.8
179.03400	0.5
181.04935	0.4
183.02948	2.5
183.04352	0.5
185.05978	0.5
187.03958	0.6
189.05463	0.4
191.03456	0.5
191.07031	0.7
196.57274	0.3
199.03915	0.5
201.05429	1.8
207.03044	0.3
207.06551	0.9
213.05492	1.0
217.05031	0.9
219.02843	0.5
229.04941	5.2
231.06564	0.3
241.05014	1.0
247.06000	0.9
257.04453	3.4
259.06024	0.7
261.04025	0.4
269.04410	0.3
274.04688	0.9
285.04016	1.3
287.05527	0.7
293.13812	3.3
303.04971	100.0
304.05331	0.9
311.14859	0.7
315.04956	55.3
316.05341	0.7
327.04962	1.2
329.06512	1.7
339.04916	1.1
340.13803	0.3
341.06470	0.4
345.06079	0.6
353.06555	0.7
355.04257	0.4
355.08145	1.5
357.05988	1.1
381.05838	0.4
387.14157	0.3
395.11224	1.1
405.05847	0.3
423.07156	0.4
423.14249	2.2
433.12534	0.5
451.13834	3.8
467.09952	0.5
469.14661	0.4
577.17065	0.6
595.17719	0.4
612.32861	0.4
613.18872	0.4
613.33112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05515	1.0
57.03436	4.7
61.02912	2.0
63.90706	0.5
65.03944	0.7
67.05499	0.9
68.99767	0.7
69.03413	1.6
69.07075	0.7
69.80555	0.6
70.06588	2.0
70.83598	1.6
72.08139	0.5
73.02916	11.2
79.05470	1.7
81.03431	0.8
81.07032	1.2
83.04972	0.6
84.04513	1.5
84.08135	2.3
85.02897	2.3
85.07661	0.7
86.09694	2.1
91.05482	4.6
93.07047	2.3
95.01331	0.6
95.04967	1.7
95.08575	1.2
97.02873	1.3
102.04671	3.1
103.05473	1.9
105.03416	0.7
105.07035	1.9
107.04948	2.0
107.08575	0.8
109.02848	0.7
109.06584	0.6
111.04462	0.5
115.05489	0.8
117.07027	0.6
119.04930	3.1
119.08614	1.8
120.04427	0.9
121.02888	0.9
121.06525	1.1
121.10149	1.9
122.03625	0.8
123.04412	1.0
124.05201	0.7
125.06007	0.7
130.04135	6.0
131.04944	8.0
131.08522	1.0
132.05713	1.6
132.35229	0.5
133.02853	2.7
133.06448	0.9
135.04367	0.6
136.05196	0.7
136.06181	0.8
137.02342	0.9
137.05972	7.3
145.02898	0.6
145.06480	1.3
147.04407	6.8
148.05165	1.6
149.05962	1.6
149.09633	0.8
150.06773	1.0
151.03946	1.6
151.07516	1.6
153.01822	8.5
161.06035	3.0
162.06744	9.2
163.07495	0.6
165.01823	0.7
167.07059	6.9
173.06012	1.6
177.05466	1.7
179.03403	1.4
181.05002	3.4
189.05466	1.0
191.07027	1.3
201.05527	1.2
203.03416	0.7
207.06491	0.6
217.04907	5.7
219.10234	0.6
221.05984	1.3
223.07584	0.6
229.04939	3.6
233.07988	1.0
237.05511	1.5
238.06264	1.6
245.04462	6.5
249.05550	1.0
250.06168	1.0
251.06999	1.6
257.04507	2.4
269.04538	1.3
273.03934	10.6
274.04669	1.1
277.04913	1.6
279.06415	0.7
285.03925	4.8
286.04837	0.9
287.05618	1.6
301.03412	7.2
302.04184	3.8
303.04913	5.9
311.05453	2.5
313.03406	1.8
315.05014	3.0
327.05109	3.1
339.04974	5.1
357.06461	2.2
375.08615	1.0
385.07028	1.6
385.12546	1.0
387.14249	0.6
403.08188	1.8
413.06720	1.0
417.15848	0.9
431.07642	8.0
451.09995	3.2
463.10150	3.2
473.43710	0.6
481.11288	100.0
482.11478	2.5
506.76993	0.6
613.23254	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01863	1.0
55.05506	1.2
57.03432	1.7
58.99277	0.7
59.04981	1.2
61.02918	1.6
66.47394	0.6
68.99795	0.7
69.03428	4.1
69.07054	1.5
69.28019	4.8
69.28445	2.9
70.06612	1.4
71.01351	1.2
71.04990	14.3
73.02922	1.0
73.06548	3.2
79.05482	3.5
81.03419	2.9
81.07056	17.1
85.02906	23.1
87.00821	5.2
91.05472	2.3
93.07044	11.5
95.01322	0.8
95.04979	0.7
95.08582	2.4
97.02916	3.9
97.06520	1.3
99.04436	0.9
105.01865	8.5
106.56020	0.8
107.08601	9.5
109.02897	3.6
109.10156	1.8
111.79765	0.7
113.02371	0.8
122.77950	0.7
127.03905	8.5
129.01851	1.1
135.11682	19.8
139.03960	0.8
141.01842	5.9
145.04945	2.3
150.98860	0.6
153.12741	100.0
154.13121	1.7
159.02902	2.6
169.45233	0.7
189.03870	1.4
213.03854	1.0
231.05057	3.0
249.06111	1.5
257.02594	0.8
261.06430	0.9
273.06012	1.7
285.05963	1.3
295.31042	0.7
315.04898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.3
55.01869	2.5
55.05512	22.6
56.98478	1.4
57.03429	5.3
57.07068	4.4
65.03923	2.9
66.92230	1.5
67.05174	2.9
67.05507	39.8
68.47943	1.6
69.03443	1.5
69.07071	19.0
69.59783	4.1
69.60204	8.5
70.11155	1.6
70.83480	1.6
71.05004	2.7
71.08614	1.5
75.86006	1.4
79.05491	26.5
79.90650	1.4
81.03397	1.8
81.07056	36.3
83.04990	2.2
83.08611	8.6
85.06546	2.5
91.05475	26.4
93.07052	28.7
95.01339	3.7
95.04951	4.8
95.08599	28.3
95.09162	2.0
95.15607	1.5
97.06542	4.9
97.10176	4.4
105.07048	20.9
107.04913	1.9
107.08601	15.0
109.06514	2.0
109.10159	10.4
117.07018	13.8
119.08589	19.9
121.10151	8.8
123.11755	2.6
125.09597	2.2
128.06229	4.0
129.07001	12.6
131.08580	22.0
133.10143	15.1
135.11731	4.6
141.06976	4.5
142.07813	1.7
143.08563	19.8
145.10126	23.4
147.04408	11.4
147.11707	6.4
149.09679	2.0
149.13257	4.6
155.08553	12.8
157.10114	15.5
159.11702	14.7
161.13290	5.6
163.14792	1.9
167.08594	3.4
168.09447	2.7
169.10104	10.8
171.11700	16.0
173.13246	10.4
175.14966	2.7
181.10164	5.3
183.11700	13.7
185.13269	9.2
187.14813	6.3
189.16316	2.5
193.10127	1.9
195.11705	6.9
197.13231	8.6
199.11310	1.4
199.14801	8.9
201.16389	4.6
209.13307	4.7
211.14819	5.5
213.16435	6.0
215.17894	3.9
221.13345	2.9
223.14795	5.0
225.16447	4.9
227.18044	4.5
229.19530	2.7
231.78008	1.8
237.16441	3.5
239.18091	3.8
241.19597	3.5
243.21147	3.4
251.17845	1.8
253.19647	1.8
255.21242	2.8
259.13245	8.0
265.19717	2.4
275.20197	3.7
325.25275	2.3
333.16956	1.9
339.27100	2.4
353.28378	2.9
367.30185	2.0
411.32727	2.4
450.36505	2.0
501.40979	5.4
519.42090	16.6
537.43024	8.4
575.44354	2.1
583.21747	2.3
584.27258	1.7
593.45819	16.3
611.37683	4.7
611.46674	100.0
611.80249	1.7
612.47272	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	611.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.4
57.03426	7.7
57.07067	3.1
67.05500	49.2
69.07066	19.4
69.45648	21.1
71.04990	2.3
78.99631	2.3
79.05494	38.4
81.07053	51.4
83.08628	12.7
91.05479	35.5
93.07043	39.4
95.04971	7.1
95.08610	38.5
97.06552	2.2
97.10169	6.9
105.07030	32.4
107.08606	22.6
109.10163	20.7
117.07018	17.4
119.08564	29.7
121.10165	17.6
123.11718	3.2
128.06186	3.3
129.07013	8.7
130.07797	2.3
131.08562	21.7
133.10121	22.1
135.11668	13.8
142.07787	2.7
143.08551	14.4
145.10107	25.2
147.11679	16.6
149.13272	8.6
155.08562	3.6
157.10139	12.6
159.11674	19.8
161.13312	10.8
163.14783	3.7
169.10106	8.3
169.97910	2.1
171.11674	10.6
173.13298	12.6
175.14839	8.1
181.10176	3.4
183.11684	3.5
185.13171	11.1
187.14838	5.8
195.11845	2.5
197.13324	7.3
199.14868	8.5
201.16412	3.2
209.13310	2.6
211.14856	4.1
213.16377	4.2
215.17943	2.3
223.14845	2.6
227.18054	3.8
227.29631	2.3
239.17957	2.8
241.19603	10.9
257.19086	4.0
259.20551	19.9
261.22290	3.4
261.47263	2.2
333.24249	10.4
335.25821	20.5
519.42310	4.8
534.35333	2.8
537.42767	3.7
593.45636	9.3
595.78400	2.9
611.46686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.1
54.54976	1.4
55.01859	2.6
55.05516	25.7
57.03427	7.4
57.07055	5.8
58.18863	1.4
65.03934	5.3
65.93689	1.7
67.05502	62.8
68.05868	2.0
69.07066	23.9
71.04997	3.3
73.06547	1.9
74.67757	1.9
79.05490	49.1
81.06582	3.6
81.07056	63.1
82.07411	1.7
83.04964	3.0
83.08607	13.5
85.06532	3.3
86.68285	1.5
91.05476	45.0
93.06475	3.8
93.07040	53.3
95.04967	7.7
95.08603	49.4
97.06525	3.6
97.10171	3.2
99.08101	2.2
103.05478	2.2
105.07033	43.0
107.08590	30.1
109.06541	1.5
109.10152	20.4
109.41296	1.5
110.44662	1.4
111.08038	1.5
114.02695	1.7
115.05483	3.1
117.06999	17.9
119.08582	39.5
121.10134	25.5
123.11721	6.6
128.06216	2.9
129.06993	16.1
131.08560	26.1
133.10133	25.8
134.10361	2.4
135.11670	15.3
141.07008	4.4
142.07820	2.6
143.08563	20.4
145.10121	33.7
147.11668	24.0
147.12625	2.0
149.13194	9.4
155.08530	9.4
157.10149	20.3
159.11682	27.7
161.13254	13.7
163.14868	3.8
167.08595	3.6
169.10088	10.3
171.11661	17.0
171.68930	1.8
173.13248	18.6
175.14796	9.6
181.10109	3.7
183.11699	11.5
185.13261	12.0
187.14717	9.9
195.11670	3.4
197.13292	6.6
199.14867	9.1
201.16393	5.6
209.13393	2.6
211.14874	6.2
213.16464	5.8
215.18021	3.9
217.19524	1.7
223.14850	2.7
225.16389	3.8
226.07957	1.8
229.19582	2.3
231.20964	2.2
239.17961	2.8
241.19516	12.0
243.21191	2.0
244.84433	2.0
257.19077	6.1
259.20541	18.7
261.22174	5.4
275.20120	2.5
277.21600	2.2
290.57233	1.8
307.68625	2.0
313.25241	2.8
315.23175	2.7
331.22778	2.4
333.24191	10.5
335.25800	23.0
359.25726	1.9
367.29990	2.4
449.34348	2.0
501.41135	2.3
509.89661	1.8
519.42163	8.1
537.43213	2.9
593.45428	9.0
611.27130	5.8
611.46661	100.0
612.46790	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01875	2.1
55.05511	15.9
57.03432	6.1
57.07075	5.2
65.03933	1.4
67.05505	40.9
69.07070	14.7
70.00827	4.5
70.01241	3.0
71.05004	1.9
74.11208	1.3
78.59049	1.3
79.05500	26.7
81.07062	36.5
83.05017	1.7
83.08642	9.5
85.06512	2.4
89.77186	1.3
90.81288	1.2
91.05473	28.6
93.07047	32.7
95.04979	3.2
95.08607	37.5
97.06541	2.1
97.10174	5.0
105.07034	28.6
107.08606	20.6
109.06546	1.4
109.10163	15.7
113.02692	1.3
115.05397	1.9
117.07020	13.5
119.08584	26.3
121.10159	14.8
123.11700	5.7
125.09692	1.5
127.67132	1.6
128.06232	1.9
129.07002	10.8
131.08574	22.7
133.10143	22.5
134.69766	1.6
135.08102	1.5
135.11681	11.9
137.13228	2.2
141.06973	2.4
142.07785	2.6
143.08551	14.3
145.10135	22.4
147.11707	15.6
149.13292	5.3
155.08540	7.0
156.09232	1.9
157.10155	12.2
159.11688	19.3
161.13303	9.6
163.14803	3.2
167.08630	2.2
168.09352	1.9
169.10143	6.5
171.11656	13.1
173.13269	12.3
175.14835	3.8
181.10165	3.0
182.11012	1.4
183.11740	7.1
185.13249	11.6
187.14842	7.0
189.16408	2.1
195.11725	3.2
197.13313	6.8
199.14853	8.0
201.16440	4.1
209.13251	2.6
211.14896	5.2
212.81786	1.6
213.16451	5.8
215.17960	2.3
221.13426	2.1
223.14867	2.6
225.16360	2.4
227.17960	3.7
229.19467	2.1
239.18015	1.9
241.19576	7.2
241.21689	1.6
243.21053	2.5
257.19006	2.6
259.20584	12.3
261.22275	2.9
273.22244	1.8
285.22205	2.0
297.22028	2.8
311.23633	1.4
325.25104	1.8
330.03036	1.4
333.24039	7.0
335.25760	12.5
339.26917	2.7
353.28531	1.4
369.28497	1.6
381.32156	1.6
420.55365	1.6
489.35934	1.6
501.35034	1.8
501.41483	2.2
519.42114	7.3
537.42926	3.1
541.39056	1.8
571.27631	1.6
593.45380	6.0
611.46674	100.0
612.46844	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2861
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
54.98218	0.7
55.05515	1.0
63.75462	0.8
65.37146	0.9
67.05489	3.3
71.09532	0.7
71.58176	1.4
79.05476	2.5
81.07052	3.5
91.05456	2.3
93.07034	2.2
95.08599	1.5
105.07013	1.4
107.08555	1.0
109.10165	1.0
121.10121	1.5
131.08595	1.2
139.94792	0.8
149.20355	0.8
157.10226	0.8
159.11664	1.1
189.41194	0.7
308.85934	0.7
314.16440	0.9
375.92841	0.7
377.17551	0.9
379.19061	1.3
391.19424	1.4
393.20938	1.5
403.19412	1.0
405.16696	1.3
405.21268	1.3
407.22800	3.6
418.18066	1.2
419.18634	2.7
420.19110	1.3
421.20328	2.2
423.21808	1.5
433.20111	9.0
434.21106	1.6
435.17685	2.5
435.22037	3.1
437.23364	3.6
446.21069	1.3
447.21786	4.1
449.19049	4.3
450.20178	3.5
451.21307	3.1
463.21442	2.7
464.21921	7.8
465.22870	6.6
477.22839	1.9
478.23730	1.1
509.21231	0.9
521.25073	5.2
523.26965	1.5
533.25836	1.1
551.26495	24.3
552.26434	1.1
579.25958	1.8
581.27716	1.3
593.27240	1.1
611.28558	100.0
612.28937	4.8
620.72717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01870	1.8
55.05510	18.6
57.03434	2.7
57.07069	4.1
63.64810	1.2
65.20605	1.4
66.13396	1.4
67.05505	31.3
69.07065	19.9
69.07410	1.9
69.79312	1.4
71.04990	2.1
71.08630	2.9
79.05492	22.0
81.07053	35.2
81.79163	1.5
83.04993	2.4
83.08617	10.3
85.06575	1.5
91.05480	18.3
93.07046	25.3
95.04969	4.4
95.08605	28.7
97.06554	3.9
97.10182	5.1
101.50340	1.5
105.07034	21.1
107.08602	14.1
109.10156	12.9
117.07016	13.9
119.08581	19.4
121.10158	11.9
121.11462	1.5
123.11690	3.6
125.09715	1.7
128.06239	4.5
129.07016	13.7
131.08560	26.3
133.10110	10.1
135.11719	6.1
141.07030	3.7
142.07874	1.9
143.08560	18.8
145.10121	20.5
147.11673	8.4
149.13318	4.2
155.08549	11.5
156.09315	1.7
157.10130	16.8
159.11687	12.7
161.13280	5.2
163.14767	1.6
167.08588	4.8
169.10155	14.2
171.11693	14.4
173.13248	11.3
175.14868	1.7
181.10139	6.0
183.11658	8.8
185.13214	8.8
187.14847	6.0
189.16420	2.8
195.11711	6.9
197.13303	7.0
199.14856	8.6
201.16446	3.5
205.19614	1.8
209.13339	2.7
211.14833	6.7
213.16412	5.3
215.17903	3.5
221.13199	2.2
223.14949	3.7
225.16422	5.2
227.18002	3.2
229.19519	2.6
229.84070	2.0
237.16431	2.4
239.17979	4.4
249.08649	1.7
249.16119	1.7
253.19542	2.2
255.21178	3.1
265.19559	1.8
267.21170	2.0
277.21826	1.8
285.22113	2.4
315.23251	1.5
325.25403	2.2
339.26981	1.6
367.30405	1.5
519.42029	9.0
537.43347	8.3
537.50507	1.6
541.38910	1.9
581.05920	1.6
593.45490	8.2
611.46692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Isorhamnetin 3-vicianoside
Peak:m/z	Relative Intensity
53.03988	0.2
55.05508	0.3
57.03439	1.1
57.85751	0.2
60.04535	0.4
61.02929	1.0
61.07650	0.2
67.05510	0.5
67.96265	0.2
69.03434	2.6
69.07085	0.3
70.06605	1.2
71.04990	0.5
73.02927	0.3
78.59666	0.2
79.05495	0.6
81.03432	1.0
81.07076	0.8
83.05002	0.4
83.08636	0.3
84.04519	0.2
84.08171	0.6
85.02905	2.8
85.06571	0.2
86.03236	0.3
86.09715	1.2
87.04467	1.2
87.34556	0.2
91.03958	0.6
91.05471	1.2
93.03432	0.3
93.07056	0.7
95.04980	0.6
95.08609	0.4
96.08903	0.2
97.02897	2.5
97.06559	0.3
103.05399	0.2
105.07029	0.5
106.07357	0.2
107.04994	0.5
107.08614	0.3
109.02905	0.5
110.03687	0.8
111.04401	0.3
115.03968	0.6
115.05405	0.3
119.04952	0.5
119.08613	0.6
121.06552	0.2
121.10142	0.6
123.04450	0.5
126.03217	0.2
127.03915	0.7
129.10217	0.3
133.04973	0.5
136.06204	0.3
137.02332	2.0
137.05969	0.7
140.46649	0.3
145.02911	0.4
147.04404	1.6
147.08028	0.4
147.11790	0.5
150.14423	0.2
151.03944	0.2
153.01807	1.3
161.06039	0.3
163.03902	0.7
167.07043	2.7
173.06023	0.3
177.05551	0.9
181.04979	0.6
183.61989	0.2
193.01318	0.5
200.04630	0.6
201.05489	0.3
203.21782	0.2
204.04213	0.5
207.06491	0.5
208.06810	0.3
208.14491	0.3
215.03343	0.3
228.04141	2.6
229.05063	1.5
245.04413	1.8
246.05379	0.2
256.03635	0.4
257.04529	1.6
271.06030	0.3
273.03903	0.8
274.04724	5.2
275.05258	0.3
285.04056	1.3
285.16974	0.4
286.17218	0.4
287.05478	2.0
299.77121	0.2
301.03427	12.9
302.04211	51.6
303.04828	3.6
303.38882	0.3
317.06555	100.0
318.06888	2.1
329.06601	0.3
361.02206	0.6
379.03314	0.4
479.11810	2.1
611.15692	0.8
611.24146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Isorhamnetin 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
57.03420	0.5
57.90067	0.2
61.83030	0.2
63.04847	0.2
67.05474	0.3
68.99797	0.3
69.03435	1.2
70.06580	0.5
71.04961	0.3
71.17149	0.5
73.02902	0.3
81.03408	0.3
81.07021	0.4
83.05000	0.2
84.04473	0.2
85.02917	1.6
85.76880	0.2
86.09676	0.3
87.04431	0.4
91.05468	0.4
93.07005	0.3
97.02851	0.9
97.44840	0.2
109.02822	0.2
110.03644	0.8
111.00904	0.2
115.03915	0.4
119.08531	0.2
120.08166	0.2
121.02823	0.2
127.03867	0.3
133.04938	0.4
137.02328	2.4
145.04868	0.2
147.04402	0.3
153.01776	1.1
163.03738	0.3
167.06973	0.5
170.61580	0.2
177.05496	0.6
193.01233	0.4
193.48329	0.2
200.04698	0.8
204.04094	0.4
207.06557	0.2
228.04166	2.5
228.58197	0.2
229.04945	1.5
245.04509	1.3
246.05054	0.2
247.59344	0.2
256.03674	0.7
257.04431	1.3
273.03928	0.8
274.04709	4.3
285.03952	1.2
287.05606	0.4
287.30582	0.2
301.03427	12.1
302.04202	49.3
303.04865	2.4
317.06552	100.0
318.06882	1.8
329.06662	0.3
359.07449	0.3
374.70023	0.3
417.45349	0.2
479.11819	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01856	0.4
57.03432	2.2
59.05007	0.3
61.02913	0.9
68.99781	0.7
69.03416	1.1
70.73599	0.7
71.01360	0.3
71.04991	11.3
73.02914	0.6
75.04469	0.5
76.02217	0.7
81.03409	1.1
83.04967	0.8
84.04546	0.3
84.25770	0.3
85.02901	15.5
87.04470	0.5
91.03954	0.5
91.23744	0.2
93.03407	0.3
97.02887	1.6
98.97742	0.3
102.60382	0.3
109.02856	0.8
111.00792	0.9
111.04432	0.3
121.02869	0.7
127.03909	1.0
129.05479	3.5
129.16409	0.3
130.33165	0.2
137.02333	3.3
140.03387	0.2
145.04942	0.5
147.06487	0.5
149.02341	0.4
153.01808	3.2
163.02516	0.3
163.03902	0.7
165.01834	1.6
173.05969	0.6
176.84630	0.3
179.04892	0.3
183.02884	0.9
183.04381	0.3
187.03993	0.3
195.02921	0.5
200.54959	0.3
201.05499	1.5
223.56642	0.3
229.04968	3.8
247.06009	0.7
257.04401	1.9
274.04697	0.8
285.03925	1.3
287.05569	0.9
303.04977	100.0
304.05292	2.0
305.04587	0.2
308.08899	0.3
315.04947	1.0
345.06146	1.0
369.06094	0.5
417.74539	0.2
421.07483	0.3
449.10632	0.3
465.10599	1.5
467.55624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.5
57.03430	2.5
58.91240	0.5
61.02893	1.1
66.30051	0.5
68.99792	0.6
69.03416	1.4
71.04990	15.1
71.12955	1.5
73.02892	0.7
74.93437	0.4
75.04475	0.7
83.04978	0.7
85.02901	18.5
94.42694	0.5
97.02881	0.9
109.02888	0.5
111.00783	1.1
112.24866	0.5
123.74913	0.5
129.05437	4.0
137.02328	3.4
145.04919	0.6
147.06564	1.4
149.02272	0.9
153.01817	3.5
161.05945	0.6
165.01840	2.0
173.06081	0.6
173.64587	0.5
174.12160	0.5
183.02853	0.6
191.03284	0.6
195.02953	0.6
201.05513	1.7
217.59648	0.7
229.04932	4.4
247.05791	0.8
257.04398	2.3
274.04703	0.8
279.73706	0.5
285.03891	1.1
287.05508	2.2
303.04965	100.0
304.05380	3.0
315.04913	0.8
327.04956	0.6
333.09128	0.6
345.06018	0.7
449.10648	1.1
465.10226	0.8
491.93350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
53.45267	0.3
55.05486	0.5
57.03429	3.1
61.55497	0.4
68.99788	0.6
69.03414	0.9
71.04989	19.7
71.09828	0.9
71.10175	0.4
73.02873	0.4
75.04465	0.9
75.56941	0.4
83.04951	0.5
85.02901	19.9
87.31292	0.4
93.03423	0.4
96.73807	0.4
97.02874	0.7
109.02866	0.5
111.00788	1.3
121.02848	1.5
127.03896	0.6
129.05476	4.3
137.02345	3.0
149.02342	0.6
153.01830	4.3
163.03922	0.8
163.50526	0.4
165.01796	2.4
183.02873	1.0
185.06013	0.4
201.05466	1.8
213.05521	0.6
229.04976	4.1
231.06520	0.4
247.06017	0.6
257.04382	2.7
258.05396	0.6
274.04672	0.5
285.04007	1.9
287.05481	28.4
288.05820	0.8
303.04974	100.0
304.05322	2.6
345.06082	0.5
413.08746	0.4
449.10550	1.2
465.10269	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	611.1604
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03951	0.3
55.01864	0.4
56.05018	0.2
57.03429	0.6
59.04981	0.2
61.02932	0.8
61.03189	0.2
68.99784	0.4
69.03430	1.7
70.06583	0.6
71.04983	1.1
71.57522	0.2
72.08136	0.8
73.02919	0.3
74.06073	0.2
79.05499	0.2
81.03431	1.1
84.04510	0.8
84.08143	0.4
85.02901	6.5
86.06048	0.2
86.09689	0.6
91.03934	0.4
91.05428	0.2
95.04941	0.3
97.02888	2.1
99.04443	0.4
99.79290	0.2
105.03399	0.3
107.04948	0.3
109.02851	1.0
111.00795	0.4
115.08639	0.2
119.04940	0.3
119.08556	0.2
121.02867	2.1
123.04465	0.2
127.03898	1.5
130.05008	0.3
133.02824	0.4
137.02332	0.7
145.04947	0.6
145.06453	0.3
147.04356	0.8
147.07678	0.3
153.01820	2.8
157.06436	0.3
163.03883	0.2
165.01799	1.3
175.03848	0.2
177.61743	0.2
183.02856	0.9
185.05884	0.4
193.12125	0.2
201.05501	0.2
213.05397	1.0
229.04854	0.4
231.06534	0.6
241.04926	0.6
258.05148	1.0
259.06009	0.5
287.05481	100.0
288.05801	2.0
303.04987	4.5
386.74280	0.2
449.10797	4.8
461.79724	0.2
465.10257	0.5
611.21887	0.2
619.46979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Rutine
Peak:m/z	Relative Intensity
57.03424	1.9
57.80033	0.4
61.02898	0.5
62.55598	0.4
68.99791	0.9
69.03415	1.1
70.44112	0.4
71.04992	12.9
71.12654	1.2
75.04482	1.1
81.03403	0.8
83.04978	0.7
85.02904	17.8
89.63677	0.4
97.02884	1.5
109.02872	0.6
111.00816	0.9
111.04460	0.5
121.02847	0.7
127.03912	1.3
129.05484	2.9
137.02330	3.0
147.06529	0.8
153.01826	3.0
165.01772	1.4
183.02885	0.6
183.04402	0.5
201.05525	1.7
229.04962	4.2
247.06097	0.8
257.04370	2.5
274.04700	1.0
285.04007	1.3
303.04990	100.0
304.05377	1.5
410.16891	0.4
465.10416	1.1
639.35309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01867	1.7
55.05502	3.4
56.05024	1.2
57.02346	1.3
57.03435	5.9
58.99589	12.8
59.78957	1.2
60.31328	1.3
61.02924	2.4
67.05492	5.9
67.25005	1.3
69.03435	6.3
69.07070	1.9
70.06582	4.6
70.64346	4.1
71.04995	16.4
72.08134	3.6
73.02894	1.2
76.02227	79.9
76.03986	3.4
79.05482	5.8
80.05004	2.8
81.03416	49.0
81.07056	4.5
83.04961	2.6
83.06078	2.0
83.08623	12.5
84.04505	19.9
84.08150	2.1
85.02905	29.4
85.04021	1.9
86.09696	1.7
86.99051	3.9
88.02198	2.4
91.05457	8.1
93.07043	4.5
95.04966	13.7
97.02866	6.0
97.10160	1.4
105.07031	7.4
107.04935	3.7
107.08613	2.1
109.02863	2.0
109.06526	2.3
111.04473	1.5
111.08076	4.2
112.02207	1.5
116.01677	20.5
119.04953	1.2
119.08593	6.1
120.08093	3.7
121.10097	3.3
123.08071	2.0
127.03925	1.8
129.05519	3.2
129.06943	4.6
130.05008	14.7
131.08542	5.0
133.10121	2.3
137.02312	2.3
142.03229	7.3
144.01157	9.1
145.04970	2.2
147.04410	3.8
147.08089	1.6
147.11743	2.8
149.09593	2.7
150.07741	7.6
153.01802	3.2
157.10147	4.7
162.02206	39.5
166.08611	1.7
170.02722	3.8
175.11237	7.2
177.03278	9.3
177.05450	1.8
179.04848	74.9
187.05424	2.5
193.12236	30.6
201.05432	2.8
211.13310	3.3
215.04926	2.3
229.04961	3.1
233.05910	21.7
245.06012	3.1
257.04434	2.1
267.15900	16.1
285.04041	1.5
285.16949	6.9
286.08267	1.3
287.05545	2.5
290.07959	2.5
291.06393	2.8
300.06461	1.4
301.06790	2.5
303.04987	100.0
308.09091	79.0
315.08664	5.5
316.08929	7.7
321.14572	1.4
345.05948	1.5
393.90454	1.6
432.35098	1.2
451.88605	1.4
465.05106	1.1
465.10410	11.0
499.87930	1.6
519.84515	1.6
592.25647	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32416	0.7
53.03941	2.5
55.01868	2.2
55.05510	17.4
57.03438	4.9
57.07067	2.8
65.03945	1.3
67.05503	31.7
69.06722	1.2
69.07069	15.2
71.04992	1.0
79.05495	18.1
81.07056	28.9
83.04977	2.8
83.08623	6.7
85.06535	1.7
91.05476	17.7
93.07043	19.8
93.42603	0.7
95.04970	2.8
95.08607	25.9
97.06529	2.6
97.10176	4.7
99.08106	1.4
103.05437	0.7
105.04504	0.9
105.07028	17.4
107.08594	14.1
109.06491	1.8
109.10154	10.2
111.08095	1.8
111.11774	0.6
115.05492	1.2
115.25591	0.8
117.07017	11.1
119.08576	18.5
119.19867	0.6
119.76338	0.6
121.10136	9.6
123.08096	1.7
123.11721	2.7
125.09634	2.1
128.06203	4.0
129.07004	13.6
130.07773	1.1
131.08566	15.0
133.10130	13.3
135.11693	5.8
137.09616	1.6
137.13327	1.3
139.11206	0.9
141.06973	8.1
142.07780	3.4
143.08569	15.8
145.10127	16.5
147.11678	6.9
149.13254	2.4
153.06992	2.3
154.07755	2.5
155.08556	16.3
156.09370	3.0
157.10124	18.8
158.10773	0.8
159.11690	12.2
161.13243	4.5
163.15010	0.8
165.07048	2.2
166.07811	1.0
167.08556	7.6
168.09369	2.8
169.10133	20.0
170.10854	1.1
171.11670	15.1
173.13242	6.6
175.14890	2.1
177.16367	0.8
179.08548	4.1
180.09271	1.5
181.10129	12.4
181.11621	1.0
182.10826	1.8
183.11697	20.4
184.12389	1.3
185.13272	12.4
187.14845	3.0
189.16409	2.1
192.09331	0.9
193.10201	3.5
194.10938	1.5
195.11697	12.8
196.12508	1.0
197.13269	14.5
198.13794	0.8
199.11259	0.8
199.13258	1.2
199.14854	7.2
201.16405	2.6
203.17953	1.5
207.11717	4.1
208.12421	1.4
209.13278	9.3
211.14822	13.0
211.16737	0.9
213.16422	5.7
215.18045	1.1
217.77449	0.7
219.11702	1.1
221.13239	5.1
222.14035	0.8
223.14825	8.0
224.15500	0.9
225.16370	7.1
227.18028	4.6
229.19742	0.8
233.13248	1.0
235.14711	3.6
237.16341	5.3
239.18037	3.9
241.19577	2.7
247.14857	1.5
249.16426	2.6
251.17967	3.1
253.19699	1.3
255.21284	1.6
261.16470	1.5
263.18066	1.6
265.19583	3.0
267.21082	2.0
268.21701	0.7
269.15643	0.6
271.20605	0.8
275.20309	0.9
277.19440	1.3
279.21066	1.6
283.20547	0.9
285.18646	0.9
289.19598	0.7
295.20624	1.5
297.22324	1.4
302.20041	0.8
303.20932	0.8
307.20657	1.4
309.22113	1.6
309.25690	0.7
311.20245	0.9
311.23669	0.8
321.22101	1.4
323.23550	1.5
325.21524	1.1
327.23236	0.8
335.23560	1.8
337.21713	1.0
337.25427	2.6
339.26736	1.0
341.24698	1.0
347.23883	1.1
349.25366	1.5
351.26794	2.5
353.24652	0.9
355.26328	0.8
361.24979	0.9
363.27002	1.1
365.28537	1.4
367.25949	0.9
369.27838	1.2
377.28494	1.1
379.25974	1.1
379.30139	2.1
381.27902	1.0
391.30127	1.8
393.31647	1.6
403.29752	0.9
405.31552	1.8
407.29184	1.2
419.33093	1.0
421.30753	1.5
425.30536	1.0
433.30646	0.9
435.32458	1.2
447.32529	2.5
449.34256	1.1
461.08188	0.7
461.34039	1.7
465.33389	0.8
475.35678	0.7
476.21988	1.0
499.39642	3.2
517.40454	20.8
518.40460	1.1
521.36377	1.0
535.41382	9.4
539.37506	1.2
549.24872	1.2
555.41846	1.1
573.42688	3.1
591.44098	17.3
592.44733	0.8
593.89819	0.9
609.27625	4.3
609.45105	100.0
610.45441	3.9
635.71350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82887	0.6
53.03941	3.3
55.01872	1.5
55.05508	20.5
57.02689	0.7
57.03434	4.5
57.07067	2.7
59.04980	0.9
60.02663	0.7
65.03937	2.1
67.05505	36.9
69.07068	19.2
71.04995	1.8
71.08623	0.8
74.32021	0.7
77.03983	0.7
79.05490	26.1
80.73008	0.7
81.07054	30.8
83.04990	1.3
83.08623	8.6
83.77041	0.9
85.06526	2.0
91.05476	23.5
93.07036	24.8
95.04974	3.8
95.08605	28.3
97.06536	3.1
97.10164	5.2
98.20718	1.9
99.08073	1.1
103.05517	1.0
105.04541	1.0
105.07028	24.1
107.04987	0.9
107.08598	16.7
109.06503	1.7
109.10156	11.9
111.08091	1.7
115.05448	2.3
116.06190	0.8
117.07011	12.8
119.08578	19.9
121.06482	0.9
121.10136	11.4
123.08054	1.7
123.11704	2.8
125.09609	2.9
128.06192	5.4
129.07001	15.2
130.07767	1.1
131.08563	19.4
131.44330	0.7
133.10127	14.8
135.11682	7.0
137.13289	1.0
139.11166	0.7
141.06973	7.6
142.07768	5.0
143.08551	18.9
144.09328	1.0
145.10117	18.4
147.04395	1.0
147.11687	9.1
149.09607	0.9
149.13261	3.0
153.07007	1.6
154.07790	2.8
155.08539	17.5
156.09332	2.4
157.10120	19.6
159.11681	12.9
161.13261	4.5
163.11229	0.7
163.14867	1.2
165.07011	1.8
167.07227	1.2
167.08574	9.7
168.09335	3.9
169.10123	21.3
170.10844	2.0
171.11685	15.8
173.13248	6.9
175.14803	2.5
177.16467	1.2
179.08568	2.9
180.09343	2.4
181.10110	12.6
181.11584	0.8
182.10919	2.4
183.11699	20.9
184.12399	0.7
185.13258	10.7
187.14783	4.6
189.16434	1.0
191.18086	0.8
192.09410	1.0
193.10141	5.1
194.11031	0.8
195.11665	11.7
195.13155	1.0
196.12454	1.1
197.13257	15.7
198.13940	0.7
199.14835	7.7
201.16383	1.8
203.18022	1.1
205.10246	1.0
207.11700	4.4
209.13243	11.0
211.14836	10.5
213.12920	1.1
213.16443	6.5
215.17931	1.0
219.11725	1.6
221.11517	0.8
221.13222	3.9
222.14090	1.2
223.14819	8.1
225.16389	5.7
227.18034	3.8
231.11465	1.0
231.48354	0.7
233.13246	1.0
235.14880	3.0
237.16417	5.2
239.17999	3.3
241.19601	2.4
247.14868	1.3
249.16374	2.9
251.17979	3.6
253.19495	2.0
255.21246	1.3
257.18979	1.5
261.16394	1.0
263.17969	1.8
265.19666	2.8
267.21130	2.1
271.20612	0.8
275.20306	3.6
277.19510	1.6
279.21030	0.8
287.23639	0.9
293.22546	0.8
295.20419	1.0
297.21948	1.1
305.22641	0.9
307.20471	1.1
309.22137	1.4
311.23660	1.1
321.22055	1.4
323.23691	2.3
333.21924	0.9
333.25735	1.1
335.23340	1.3
337.25385	2.0
339.23401	1.8
341.24811	1.1
349.25330	1.5
351.23087	1.0
351.26932	2.5
353.24615	1.4
355.26477	1.0
363.26923	2.6
365.28513	3.0
379.25986	1.3
379.30136	1.4
391.29935	2.1
393.31604	1.6
395.29440	1.1
405.19998	0.9
405.31628	1.0
409.30920	0.8
433.30936	0.8
447.32486	2.3
449.34241	1.5
453.33551	0.9
473.32840	1.2
499.39279	3.1
517.40430	16.1
527.37543	1.0
535.41504	8.8
539.37659	2.1
540.37653	0.9
553.41937	1.5
573.43042	2.7
591.25830	1.4
591.44006	16.0
609.27051	8.5
609.45111	100.0
610.45135	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	609.4506
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03938	1.6
55.01881	1.8
55.05506	15.0
57.03431	2.2
57.07079	2.7
60.45088	1.0
65.03922	2.2
65.69750	1.2
67.05500	29.4
69.07058	11.2
69.99502	1.1
70.00942	3.5
70.01347	2.4
71.04980	1.8
74.11363	1.3
79.05483	21.1
81.07049	30.7
83.04948	1.9
83.08614	4.7
85.06525	2.1
91.05470	22.0
92.34025	1.1
93.07038	19.7
95.04966	4.2
95.08599	22.3
97.06545	2.4
97.10150	3.5
98.21423	1.5
105.07020	18.5
107.08578	14.5
109.06506	2.1
109.10136	8.8
115.05401	1.3
117.07011	9.8
119.08563	16.8
121.10110	9.7
123.08045	1.7
123.11740	1.8
123.96331	1.1
125.09547	1.2
128.06219	1.7
129.06992	9.6
131.08557	16.1
133.10117	10.4
135.11673	3.0
141.06934	5.6
142.07756	3.0
143.08551	13.8
145.10123	13.8
147.11671	6.3
149.13255	1.5
149.21353	1.2
153.07037	1.4
154.07726	1.5
155.08543	10.1
156.09311	2.4
157.10098	13.6
159.11681	11.3
161.13231	2.0
167.08505	6.0
168.09367	1.6
169.10127	13.5
170.10831	1.6
171.11658	12.3
173.13245	6.9
175.14839	1.8
179.08531	2.7
181.10143	7.0
183.11687	11.3
185.13269	9.7
187.14859	4.2
193.10141	2.4
195.11694	6.7
196.12430	1.6
197.13220	10.5
199.14833	5.2
201.16356	3.0
207.11674	2.7
209.13226	7.9
211.14827	6.0
213.16423	3.3
215.17809	1.3
221.13297	3.0
223.14807	4.2
225.16396	3.6
227.17969	2.3
235.14966	2.9
237.16476	2.4
239.17961	2.0
249.16425	1.5
251.18040	2.7
253.19536	1.4
257.19089	1.8
267.21130	1.7
269.22876	1.2
275.20099	5.2
287.23849	1.2
302.71469	1.2
311.23795	1.3
313.25073	1.3
323.23563	1.6
337.25266	2.2
349.25262	1.7
351.26877	1.8
353.24658	1.5
429.31580	1.9
447.32739	1.6
466.31702	1.3
499.39209	2.8
517.40540	11.5
535.41144	6.4
539.37274	2.9
591.43903	8.5
609.45056	100.0
610.45886	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.4
55.01862	8.6
55.05514	27.2
55.45760	3.3
57.03420	5.9
57.07065	7.9
61.02926	5.6
67.05502	38.0
69.03423	20.4
69.07063	44.5
69.55219	31.1
70.06586	15.3
71.04990	9.3
71.84013	3.4
72.08143	8.8
73.02909	6.2
79.05485	37.2
81.03415	18.5
81.07056	100.0
83.04982	8.3
83.08626	13.0
84.04475	5.0
84.08134	10.6
85.02902	31.0
85.06527	22.8
86.09681	12.7
87.00823	5.3
91.05457	25.9
93.07037	57.3
95.04958	15.0
95.08607	70.6
97.02892	23.3
97.10162	12.1
99.04468	6.5
99.08044	8.4
103.03964	6.0
105.01874	6.1
105.07030	36.6
107.02594	3.3
107.04949	6.5
107.08600	49.0
109.02880	6.9
109.06536	7.2
109.10148	46.9
111.04446	4.1
111.08138	4.2
111.11709	4.9
115.03899	4.4
117.07018	8.1
119.04934	4.8
119.08584	34.1
120.08109	7.9
121.06533	5.2
121.10132	38.9
123.08051	4.2
123.11707	29.7
125.09666	5.7
127.03883	17.2
129.06995	4.0
129.10303	3.9
131.04820	3.8
131.08583	9.8
133.02808	3.7
133.06464	4.9
133.10121	14.6
135.11708	23.1
136.06097	4.4
137.05965	7.9
137.09537	4.5
137.13246	13.4
139.11189	9.0
145.04955	5.7
145.10123	11.3
147.04355	5.7
147.08006	4.6
147.11690	23.2
149.05983	4.7
149.09639	5.9
149.13251	28.5
151.07516	4.5
151.11104	5.1
159.11717	7.7
161.06004	6.6
161.13208	9.0
163.11200	4.7
163.14789	7.0
165.12755	3.6
167.03386	11.0
167.07082	12.2
173.13167	3.8
175.04004	3.5
175.07558	3.5
175.14867	4.4
177.05492	11.4
177.16368	10.3
181.10188	4.6
189.16382	7.4
193.12199	5.2
195.17563	4.1
210.18604	4.7
259.24384	4.1
272.06702	4.8
277.25229	6.4
289.25165	17.6
295.26364	5.4
300.06216	7.2
301.07019	5.1
305.24545	7.5
307.26309	19.1
315.08600	25.5
325.27219	9.0
329.06433	8.8
346.06915	8.1
361.09161	54.1
367.28232	6.4
379.28357	20.2
397.29568	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
53.22921	2.1
54.01173	2.3
55.01862	3.5
55.05512	18.2
57.03423	8.0
57.07059	8.3
59.05006	3.7
61.02917	7.9
65.03964	2.1
67.05505	26.0
69.03442	11.5
69.07068	33.4
69.62071	4.7
69.62471	14.6
70.06581	9.1
71.01328	4.1
71.04978	6.0
72.08128	2.3
73.02914	6.0
77.96008	2.0
79.05489	18.7
81.03400	6.9
81.07057	100.0
83.04945	5.2
83.08617	13.4
84.08134	6.3
85.02909	22.6
85.06532	7.7
86.09706	6.1
86.48242	2.2
89.03255	2.1
91.03963	5.8
91.05473	16.0
93.07043	41.7
95.01319	3.8
95.04965	6.0
95.08607	66.6
97.02905	10.7
97.06514	7.2
97.10170	17.2
98.20690	2.3
99.04460	2.5
99.08076	4.8
101.13232	2.0
103.03911	3.7
105.07037	23.2
107.04942	3.4
107.08604	34.8
109.02884	2.8
109.06500	3.7
109.10156	27.6
110.07106	2.2
111.04446	3.2
111.08072	8.3
111.11704	7.5
113.02345	2.4
117.07051	2.9
119.08589	20.5
120.08102	3.3
121.06496	2.7
121.10144	30.6
123.04372	3.0
123.11709	63.1
125.09648	4.5
127.03884	6.1
129.10246	2.7
131.04897	2.7
131.08568	4.0
133.10150	13.9
135.11693	12.7
137.13260	14.3
139.11168	13.1
141.01805	4.4
141.12704	3.7
145.10144	3.7
147.04416	4.0
147.07976	3.6
147.11699	16.7
149.09622	3.1
149.13274	37.2
151.11134	3.8
153.12796	5.9
157.10173	2.5
157.12263	4.2
159.11720	3.3
161.13260	7.2
163.03975	2.7
163.14819	7.7
165.09009	2.7
165.12816	11.6
167.07047	6.2
171.11668	3.6
175.07545	4.1
175.11101	2.5
175.14877	4.0
177.05487	3.5
177.12637	2.3
183.06480	2.3
187.13292	4.5
189.16339	7.6
191.07135	3.1
203.12767	2.5
207.06558	4.4
217.19519	2.2
229.14252	4.6
232.54199	1.9
235.20523	3.1
237.97169	2.1
241.14273	10.6
243.15884	29.3
255.15869	3.1
259.15408	2.8
267.15842	6.0
269.22668	2.9
271.06003	6.7
275.23660	6.3
277.25266	3.8
285.17062	7.6
287.23688	10.3
293.24710	2.5
305.24768	27.2
323.22455	2.8
323.25854	7.5
355.82211	2.6
367.28342	18.0
379.28409	29.1
397.29495	29.9
415.30396	7.2
472.37231	2.2
609.22217	4.0
609.36694	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63238	2.1
53.03936	6.5
55.01859	9.4
55.05261	2.1
55.05500	10.6
56.96557	2.7
57.03431	27.5
61.02921	81.0
67.05502	21.9
69.03426	42.2
69.07059	17.4
70.06595	12.7
71.01356	2.8
71.04979	8.3
71.50037	4.6
72.08131	2.4
73.02911	24.0
79.05490	11.3
81.03418	30.7
81.07055	77.5
83.04973	12.4
83.08614	10.7
84.04481	2.8
84.08141	6.1
85.02898	100.0
85.06532	11.0
86.09699	8.4
87.04457	4.4
91.03950	54.5
91.05462	24.7
93.07028	15.6
95.04977	6.8
95.08606	20.1
97.02887	77.4
97.06525	8.6
99.04460	14.5
99.08044	4.8
101.02372	6.3
103.03918	10.5
103.05461	2.3
105.07027	38.4
107.04946	3.7
107.08575	19.1
109.02874	21.2
109.06524	8.8
109.10152	5.0
110.07144	3.7
111.04417	3.2
111.08102	3.3
115.03937	6.1
115.05453	2.0
117.05498	3.0
119.04935	4.5
119.08574	29.7
121.06517	2.1
121.10130	28.3
123.08068	3.6
123.11686	31.4
125.09586	2.5
127.03906	40.1
127.07575	3.5
129.05467	6.4
129.06973	3.6
131.08580	2.7
133.10136	6.9
135.11688	2.6
137.05972	6.6
137.13271	3.9
137.96559	2.5
145.02841	2.9
145.04953	24.4
145.06035	3.2
147.04414	8.8
147.06561	2.0
147.10489	4.3
147.11681	83.3
151.03929	2.6
151.07567	2.3
161.05956	3.5
163.05998	5.9
165.12755	54.6
167.07072	6.1
171.06532	2.5
175.03928	7.6
177.05495	5.5
181.04927	6.1
181.12280	2.3
183.06523	15.1
183.13800	12.8
191.07013	3.1
193.12265	6.8
201.07587	6.5
201.12338	2.2
207.06459	15.4
211.13191	3.3
229.14337	39.1
239.19940	3.1
267.15881	59.1
267.18610	4.3
285.16937	96.0
309.16959	8.1
313.16443	11.1
327.17996	8.1
339.17822	4.1
359.19562	2.4
393.19070	8.1
411.20096	19.1
429.21140	17.2
443.12277	2.5
447.12952	2.4
447.22409	3.2
512.18842	2.1
577.20435	2.9
591.20746	3.8
609.22748	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	609.2704
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03930	1.1
55.01857	0.7
55.05510	3.7
56.37498	0.3
57.03412	0.8
57.07060	0.4
62.15479	0.3
65.03916	0.4
67.05503	8.2
69.03456	0.3
69.07066	3.1
70.07034	0.9
70.07426	0.6
71.04991	0.3
79.05486	8.0
81.03432	0.5
81.07051	8.4
83.04965	1.0
83.08615	1.3
85.06541	0.4
91.05475	6.3
93.07035	8.0
95.04964	1.7
95.08599	4.4
97.06505	0.9
97.10163	1.3
98.20770	0.4
105.07029	6.0
107.04967	1.1
107.08591	6.1
109.06490	0.6
109.10155	2.9
111.08075	0.4
115.05451	0.4
117.06987	2.3
119.08582	3.5
121.10130	3.0
123.08031	0.6
123.11693	0.4
128.06226	0.4
129.06995	1.2
130.07840	0.3
131.08551	3.8
133.10132	3.3
135.08044	0.4
135.11702	1.2
141.07011	0.7
143.08551	2.3
145.10120	6.0
147.11681	3.2
149.09637	1.1
149.13254	0.5
155.08560	1.4
157.10103	1.9
159.11662	2.0
159.25984	0.3
161.13304	0.9
163.11208	0.4
169.10138	1.3
171.11664	1.7
173.13246	1.6
179.14314	0.6
181.10103	0.6
183.11719	1.3
185.13203	0.7
187.14922	0.4
189.11153	0.4
195.11708	0.4
197.13278	1.0
209.13342	0.5
209.15387	0.4
211.14883	0.5
213.16403	0.4
223.12370	0.4
225.13992	0.4
239.17955	1.0
257.19067	1.9
261.22128	0.6
265.37750	0.3
275.20074	7.1
293.21292	0.4
331.22870	0.8
335.25818	1.3
375.16376	0.4
387.16403	0.5
389.17578	1.0
390.18445	0.6
391.19138	1.2
400.17477	0.4
401.17749	0.6
402.18286	0.9
403.19321	1.4
404.20303	0.6
405.21017	2.4
406.21335	0.7
407.22211	1.0
415.19168	1.1
416.20428	0.5
417.16733	1.1
417.20856	1.7
418.17557	0.6
419.17514	0.5
419.22812	2.9
420.18604	0.5
420.23300	1.1
429.16736	0.5
429.21411	0.4
430.17911	1.4
431.18259	3.3
432.19373	1.2
433.20245	5.6
434.21219	1.1
435.21310	0.6
443.18634	1.4
444.19159	1.5
445.19940	3.9
446.21237	2.7
447.21899	4.8
448.22687	1.6
457.20471	0.4
458.20932	5.0
459.21680	4.2
460.22797	3.8
461.19382	0.7
462.19940	0.5
463.20950	2.6
473.23291	1.2
475.20691	1.8
476.22003	1.3
477.22845	1.8
487.25305	0.6
489.19156	0.9
490.23721	0.6
491.20395	0.6
501.22794	0.4
503.24478	0.4
505.22327	1.3
517.22198	0.7
517.40436	0.9
518.22961	2.7
519.23846	9.4
521.22278	2.3
531.23920	1.1
532.24481	0.9
535.23523	0.5
535.41107	0.8
549.24896	4.6
563.26947	0.6
576.23688	0.4
591.25940	10.6
591.44006	0.5
609.26984	100.0
609.43323	11.0
610.27502	1.7
611.10632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03941	1.5
55.01854	2.2
55.05512	6.8
57.03431	1.1
65.03925	1.5
67.05502	15.4
69.07068	7.3
69.44440	5.2
71.04987	0.6
79.05489	15.7
81.03407	1.1
81.07054	15.1
83.04985	0.9
83.08614	2.2
91.05479	11.7
93.07041	13.3
93.07626	0.7
95.04961	2.5
95.08602	12.1
97.06536	3.1
97.10161	1.5
102.69981	0.6
105.07022	11.2
107.04949	1.9
107.08588	8.4
109.06512	0.8
109.10155	6.5
116.06261	0.7
117.07007	5.5
119.08568	7.5
121.10138	6.1
123.08061	1.1
123.11735	1.5
125.09629	1.3
129.07016	2.0
130.07774	0.6
131.08568	7.9
133.10127	5.9
135.08026	0.7
135.11671	3.8
141.06993	0.7
143.08574	3.3
144.09311	0.8
145.10103	9.6
147.11688	4.6
149.09613	3.0
149.13269	1.7
151.11119	0.7
155.08603	2.5
157.10146	2.6
159.11688	4.3
161.13246	1.9
163.11224	1.9
168.09384	0.6
169.10172	2.6
171.11749	3.5
173.13284	2.1
177.12781	0.6
179.14308	1.6
181.10126	0.9
182.10976	0.5
183.11690	3.2
185.13258	1.6
187.14787	1.2
189.11255	0.9
195.11775	1.2
197.13284	2.2
199.14876	1.0
200.02469	0.5
201.41902	0.5
209.13193	0.6
211.14769	0.9
213.16389	0.8
221.13374	0.6
225.16515	0.6
229.19505	0.7
237.16278	0.6
239.17964	1.8
255.17587	0.6
257.18982	4.7
261.22238	0.7
275.20062	12.4
285.38202	0.5
331.22681	2.2
335.25952	1.9
404.20404	0.7
405.20963	0.6
414.18256	0.6
415.19110	1.4
418.17743	0.7
419.18668	1.4
428.20529	0.6
429.21017	3.0
430.21844	0.9
431.18225	0.9
433.24564	2.6
443.22751	1.0
444.23093	1.6
445.19540	0.8
445.24631	1.0
447.22403	3.1
449.23398	1.0
459.21295	3.2
460.22693	2.1
461.18723	1.1
461.23465	3.0
462.20544	2.3
463.21213	1.2
472.22601	1.9
473.23468	1.5
475.25342	1.1
476.22198	2.0
477.22852	2.0
485.23218	1.1
487.24890	4.2
489.22690	1.9
503.24463	1.9
517.40320	1.2
519.23541	2.7
521.22052	2.3
531.23914	22.3
532.24213	1.3
535.41382	0.7
549.24957	11.8
563.25659	0.7
577.23669	0.6
591.26245	3.4
591.43903	1.5
609.27051	100.0
609.44470	20.9
610.27808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2702
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05507	0.9
64.00869	0.4
67.05518	2.4
69.07060	1.2
70.98288	0.9
70.98636	0.5
77.41233	0.4
79.05489	1.6
81.07050	2.3
83.04977	0.4
91.05476	2.2
93.07053	2.1
95.08607	1.8
97.06528	0.8
105.07037	1.7
107.08595	1.7
109.10172	1.1
117.07043	0.8
119.08591	1.6
121.10156	0.9
123.11689	0.4
131.08594	1.4
133.10176	1.3
135.11710	0.8
141.17244	0.4
145.10146	1.5
147.11737	0.5
149.09602	0.6
157.10220	0.4
159.11703	0.6
163.11221	0.5
169.10237	0.8
171.11731	0.7
223.12329	0.4
229.19652	0.4
237.13899	0.4
257.19141	0.5
275.20102	2.6
335.25671	0.5
376.16663	0.6
377.17807	0.6
389.17999	1.1
390.18991	0.9
391.19217	2.0
392.20142	1.1
401.17947	0.4
403.19672	0.6
404.20709	0.5
405.21112	2.6
406.21573	1.6
407.22269	2.3
414.18369	0.8
415.19238	1.8
417.21069	0.8
418.22202	0.5
419.18109	0.7
419.22934	0.8
420.23309	0.5
421.23868	3.9
422.24768	0.6
427.19241	0.9
429.21143	2.0
430.21970	1.0
431.18066	0.6
431.23010	0.6
433.20264	1.5
435.21570	0.7
443.22766	0.8
443.34036	0.5
444.23141	1.4
445.20288	1.2
446.21048	0.7
447.18301	1.4
449.23474	1.1
452.22290	0.5
457.24594	2.2
459.22144	2.0
460.23004	1.0
461.19348	3.6
462.20459	1.4
463.20963	0.9
471.18073	0.7
472.22665	0.9
473.19528	0.9
474.20755	1.5
474.42310	0.5
475.21039	6.0
476.21863	5.2
477.22296	3.5
485.23538	6.4
486.19876	2.0
487.25467	0.7
488.21997	0.5
489.22983	4.4
493.21881	0.6
494.18893	0.4
497.23434	0.9
499.21494	1.9
500.22006	1.6
503.24487	4.4
504.25204	0.5
507.23431	0.5
513.22705	1.5
515.24500	6.5
517.22284	0.8
521.25214	1.7
531.23877	15.3
532.24005	0.6
541.22205	0.5
549.24628	2.6
550.25574	3.9
559.23285	7.4
577.24402	1.7
591.26013	38.7
592.26514	0.7
609.27045	100.0
609.44745	4.4
610.27454	1.5
631.34064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2702
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03940	0.5
55.01860	1.1
55.05503	1.9
57.03437	0.4
57.07074	0.5
67.05505	5.2
69.07055	2.7
69.89921	2.6
73.26294	0.5
78.92743	0.4
79.05490	4.8
81.07056	3.8
83.08617	0.9
91.05470	3.5
93.07050	4.4
95.04977	1.5
95.08607	4.7
95.09184	0.6
97.06516	1.2
105.07037	3.6
107.04945	0.7
107.08600	2.4
109.10182	0.9
117.07029	1.7
119.08531	2.3
121.10168	1.6
129.07011	1.1
129.84995	0.5
131.08580	2.6
133.10146	1.5
135.11725	1.0
141.06969	0.8
143.08559	1.4
145.10130	2.0
147.11710	1.6
149.09613	0.8
155.08588	1.3
157.10165	1.2
159.11705	1.6
161.13243	0.8
163.11131	0.7
167.08656	0.7
169.10144	1.4
171.11731	1.2
173.13190	0.6
179.14362	0.9
181.10123	0.7
183.11696	1.3
185.13280	0.7
185.29749	0.5
187.14905	0.5
193.10071	0.4
197.13329	0.9
209.13203	0.6
211.12428	0.4
211.14769	0.9
225.16348	0.5
237.13902	0.7
237.16371	0.5
239.17873	0.5
253.19611	0.7
275.20169	2.7
377.17657	1.0
389.18494	0.9
390.18668	1.2
391.19214	2.0
392.20218	1.4
393.20468	0.5
400.16666	0.5
401.17413	0.7
404.20502	0.8
405.20984	3.5
406.21533	1.4
407.22385	2.4
414.18503	0.7
415.19403	2.2
419.18182	1.2
419.22739	1.3
420.23273	0.6
421.23950	4.1
422.24680	1.0
427.19165	0.8
429.20700	1.6
430.22168	1.2
432.19513	1.2
433.20319	1.7
435.21646	0.8
442.22104	0.5
443.22397	0.9
444.23187	1.1
445.20602	0.8
446.21588	0.6
447.18143	1.7
448.18512	0.5
449.23724	1.0
452.22269	0.7
457.24017	1.2
459.21945	1.3
460.22998	1.2
461.18967	4.2
462.20645	1.5
463.21231	1.3
472.22974	1.2
474.20520	1.4
475.21057	8.6
476.21957	7.7
477.22583	5.0
478.23611	0.7
485.23779	6.7
486.20132	2.4
487.20728	0.8
488.22235	1.0
489.22760	5.2
493.22363	0.9
499.21359	4.1
500.22034	1.4
502.23502	0.6
503.24606	7.4
504.21262	1.2
505.23163	0.8
507.24216	0.7
513.22479	0.7
515.24493	5.5
517.22461	2.0
517.40381	1.2
518.23053	0.7
521.26447	2.3
531.23938	10.2
532.24701	0.6
535.23706	1.2
535.41339	1.2
549.25085	2.9
550.25562	4.4
559.23297	5.3
563.26654	1.4
577.24341	2.6
591.26074	14.3
591.43518	0.5
592.25842	0.6
594.59967	0.5
609.27045	100.0
609.44977	10.3
610.27240	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01862	0.6
55.05507	0.1
57.03436	0.7
61.02918	0.4
65.62882	0.1
67.01862	0.4
67.05495	0.2
68.99792	0.4
69.03427	3.1
70.06569	0.1
70.08465	0.4
71.04992	0.3
73.02911	0.6
73.77695	0.1
75.97821	0.1
79.05496	0.2
81.03417	3.8
81.07047	0.4
83.04997	0.1
84.08134	0.2
85.02905	3.9
85.06532	0.3
87.00827	2.0
91.03950	0.2
91.05468	0.3
93.07024	0.3
95.04964	0.2
95.08575	0.2
97.02881	1.5
99.04463	1.0
105.01885	0.8
107.04976	0.1
107.08548	0.2
109.02881	2.0
109.10116	0.1
111.04419	0.4
117.01864	0.4
121.10194	0.2
122.03638	0.1
123.11658	0.2
124.05191	0.3
125.02348	0.3
127.03915	2.8
128.38820	0.1
128.56660	0.1
129.01855	0.3
133.10094	0.1
135.11668	0.1
135.44382	0.1
139.03868	0.4
140.04689	0.1
145.04950	0.6
147.02832	0.2
150.03107	0.2
151.03876	0.3
152.04674	1.6
152.05754	0.2
159.02895	1.1
165.01840	1.2
167.03400	20.0
175.03935	0.7
177.05464	0.3
179.03418	0.8
180.04184	1.8
181.04933	0.1
185.04517	0.2
185.05998	0.4
193.04941	0.3
202.06274	0.1
205.04955	0.5
207.06557	0.5
208.03676	0.2
209.00826	0.6
213.05547	0.3
217.04889	0.3
221.04465	0.3
223.05937	0.6
224.03143	0.8
229.04839	0.4
230.05756	0.6
231.04834	0.2
233.04469	0.7
235.05936	0.2
241.05003	0.9
242.05688	0.2
243.02896	0.2
245.08110	0.2
247.06042	0.2
257.04480	0.5
258.05219	2.0
259.05972	0.2
261.03830	0.6
269.04440	4.4
270.05212	0.2
273.07541	2.5
274.04578	0.2
275.05484	3.0
285.03864	0.5
285.07245	0.2
286.04675	0.7
287.05362	0.4
289.06998	0.3
297.04007	0.5
298.04718	0.3
299.05344	0.3
301.07065	6.9
303.04977	3.3
313.03491	1.0
314.04166	4.3
315.05008	0.3
317.06567	5.0
318.07361	2.2
328.05731	0.5
329.06534	14.7
330.07019	0.4
331.04468	0.7
331.07983	0.2
346.06815	15.4
347.06998	0.2
347.68402	0.1
361.09146	100.0
362.09503	1.2
508.40323	0.1
609.58673	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	607.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.3
55.01872	16.4
55.05513	31.8
57.03426	4.2
57.07060	4.3
60.86041	1.6
65.03938	6.6
67.05503	66.0
69.03415	3.0
69.07065	47.5
70.90781	3.9
70.91114	3.1
71.04974	4.5
71.08604	2.7
77.03914	2.0
79.05492	53.4
81.03403	7.4
81.07053	73.6
83.04977	9.5
83.08633	11.0
85.06558	3.2
91.05477	85.9
93.07039	54.6
95.01334	11.6
95.04981	15.0
95.08606	45.6
97.06538	16.2
97.10184	6.3
103.05489	4.3
105.07029	98.1
106.08610	1.5
107.04960	18.6
107.08586	29.0
109.06535	6.4
109.10161	15.0
111.08073	2.7
115.05435	3.7
117.07015	31.1
119.08580	56.0
119.73734	1.8
121.06491	4.1
121.10133	20.8
123.04427	3.9
123.08096	4.1
123.11717	5.6
125.09621	4.2
128.06213	4.5
129.07013	15.8
130.07820	2.5
131.08571	38.0
133.06471	3.5
133.10123	53.1
135.08057	2.9
135.11708	11.0
137.09641	2.7
141.07007	7.8
142.07745	3.4
143.08569	18.8
145.10118	32.8
147.08064	2.8
147.11684	31.2
149.09630	7.1
149.13258	6.7
153.07040	2.1
155.08517	11.1
157.10121	16.6
159.08049	2.1
159.11681	26.1
161.13240	13.7
163.11200	5.1
163.14888	2.1
165.06958	2.4
167.08589	8.0
169.10112	15.9
171.11671	14.7
173.13216	12.1
175.14903	4.5
177.12749	4.0
179.08482	3.6
179.14320	12.5
181.10162	10.2
182.10919	3.2
183.11646	10.9
185.13225	8.9
187.11205	4.3
187.14885	3.0
193.10141	4.8
195.11751	9.1
197.13234	10.3
199.14877	4.8
201.16394	2.2
207.11734	6.5
209.13289	7.4
211.14819	3.8
213.16466	4.7
215.18028	2.5
219.11716	3.7
221.13246	5.8
223.14876	6.3
225.16339	4.2
229.19614	1.8
231.20941	2.2
235.14844	4.2
237.16432	4.3
239.14296	1.8
239.18002	3.9
241.19485	10.2
249.16449	2.3
251.17964	2.3
257.19162	8.7
259.18167	2.4
259.20505	13.2
275.20068	61.9
293.21112	4.2
300.19272	2.0
315.23209	14.9
335.23544	2.1
347.23859	2.0
349.23605	9.3
361.79111	1.8
421.31274	2.7
437.34256	2.2
445.30347	1.8
515.38959	7.7
533.39832	6.2
547.22290	2.1
551.40790	3.5
589.42969	2.3
598.77411	2.0
607.26495	10.7
607.43494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37050	0.9
50.73513	0.8
53.03942	2.0
55.01859	4.1
55.05269	1.3
55.05513	18.1
57.03421	3.3
57.07069	1.5
62.06231	0.8
65.03940	2.1
65.70363	0.9
67.05504	30.7
69.03426	1.2
69.07066	15.5
71.04990	2.5
79.05491	24.7
80.72556	0.7
81.03414	1.5
81.07057	29.7
83.04982	2.6
83.08614	8.1
83.76318	0.9
85.06538	1.4
90.74748	0.9
91.04906	1.1
91.05479	25.2
93.07043	24.3
95.04980	5.8
95.08604	25.6
97.06527	3.0
97.10172	3.7
98.21606	2.0
103.05496	1.4
105.07032	20.6
107.01021	0.8
107.04958	2.4
107.08599	13.9
108.62032	1.0
109.06509	2.9
109.10165	10.2
111.08092	1.3
111.11650	0.9
115.05454	2.0
117.07011	10.6
119.08582	17.1
121.06467	1.2
121.10141	7.0
123.08062	1.3
123.11709	4.1
125.09619	2.9
128.06218	2.7
129.07001	12.9
130.07796	0.9
130.58926	1.0
131.08563	15.5
133.06569	0.9
133.10126	13.7
135.08060	1.9
135.11708	5.7
141.06972	8.0
142.07771	4.3
143.08574	15.3
145.06464	1.0
145.10103	13.0
147.11702	7.6
149.09566	2.1
149.13261	2.7
153.07004	3.3
154.07707	2.0
155.08548	14.9
156.09322	2.0
157.10136	11.1
157.15648	0.9
159.08037	1.2
159.11694	10.8
161.13312	3.3
163.11218	1.2
163.14720	1.2
165.07040	3.3
166.07777	2.5
167.08565	10.3
168.09331	2.7
169.10127	14.7
170.10883	1.1
171.11685	10.4
173.13252	5.4
175.14851	2.0
178.07788	1.7
179.08551	5.8
180.09386	3.1
181.10133	11.6
182.10925	2.4
183.10126	0.6
183.11697	16.7
183.13235	1.5
185.13266	7.6
187.14857	2.8
192.09436	2.2
193.10164	6.4
194.10959	3.1
195.11713	14.2
196.12395	1.8
197.09531	1.0
197.13213	13.3
197.14787	1.1
199.14847	3.7
201.16312	1.3
205.10144	2.3
206.10985	2.0
207.11694	9.9
209.13243	12.0
210.13966	1.3
211.11317	1.1
211.14845	7.9
213.16405	3.5
219.11739	3.5
221.13252	8.3
223.14754	7.6
225.12721	1.2
225.16359	6.3
227.18021	2.0
231.11731	1.5
233.13298	4.0
235.14781	6.8
237.16420	6.7
239.17982	2.9
241.19588	1.7
247.14861	2.3
248.15524	1.3
249.16296	5.1
251.18051	2.8
253.19614	1.4
257.19095	1.8
259.20474	1.2
261.16470	2.1
263.17996	2.8
265.19693	2.0
275.20261	5.3
277.19315	1.6
279.21255	1.4
281.19168	1.0
285.18610	1.6
285.65515	1.0
289.19434	1.5
291.21008	1.8
305.22684	1.1
307.20627	1.3
307.24048	1.1
315.23410	1.2
321.22211	1.3
325.25626	0.9
327.23300	1.2
335.23645	1.3
337.25479	1.0
339.23257	1.0
349.25299	2.2
351.23120	1.4
353.24930	1.6
361.25235	1.4
363.26788	2.8
365.24600	1.7
365.28656	1.5
375.26501	1.4
377.28543	2.0
389.28357	1.7
391.30173	1.3
393.27792	1.3
395.29501	1.0
403.30359	1.6
421.31165	1.4
429.31076	1.1
445.30963	1.9
447.32663	1.4
459.32477	1.3
497.37958	2.9
507.34790	1.3
515.38812	13.1
519.35736	1.3
533.39886	9.1
537.35870	2.8
538.36652	2.1
551.40704	3.0
571.41272	1.1
589.42450	8.8
607.25970	3.8
607.43579	100.0
608.43970	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.2
53.03934	4.2
55.01878	5.6
55.05510	21.8
57.03428	4.8
57.07066	4.2
64.14011	0.9
65.03935	2.8
67.05504	42.0
69.03413	3.1
69.07067	18.8
70.71489	2.7
71.04990	2.3
79.05491	33.0
81.03427	6.3
81.07056	41.1
83.04974	4.8
83.08631	10.1
85.02883	1.8
85.06554	2.3
91.05481	32.9
93.07047	32.3
95.04974	7.7
95.08607	31.4
95.09576	1.3
97.06522	6.7
97.10172	5.7
99.08118	1.9
105.04514	1.4
105.07034	27.7
106.55413	1.0
107.04951	3.7
107.08602	18.6
109.02892	1.6
109.06503	3.0
109.10148	11.5
111.04450	1.4
111.08033	2.3
115.05460	3.3
117.07025	15.5
119.08581	22.6
121.06477	1.6
121.10135	10.8
123.08098	1.6
123.11723	4.7
125.09660	1.7
128.06229	4.2
129.07007	15.2
129.07918	1.8
130.07855	1.2
131.08577	19.8
133.10127	14.9
135.08070	2.1
135.11713	5.5
137.09595	1.3
141.06996	10.7
142.07800	3.1
143.08553	17.2
145.06471	2.0
145.10118	16.5
147.11707	9.8
149.09637	2.9
149.13293	4.2
153.07008	4.3
154.07744	1.7
155.08545	18.2
156.09315	2.6
157.10126	14.9
159.11681	13.0
161.09595	1.4
161.13252	4.5
165.07018	3.6
166.07808	2.9
167.08566	12.3
168.09334	3.3
169.10129	20.2
170.10884	2.0
171.08057	1.7
171.11699	12.0
173.13228	6.7
175.11237	1.4
175.14848	1.9
178.07884	1.2
179.08562	7.8
179.14345	1.8
180.09323	3.1
180.82240	1.3
181.10107	17.3
182.10913	2.9
182.68459	1.0
183.11699	19.4
185.13258	8.0
187.14787	2.6
191.08582	2.0
192.09448	2.5
193.10118	7.9
194.10864	3.5
195.11723	18.9
195.13631	1.8
197.13252	11.9
199.14758	5.4
201.16347	1.6
205.10130	3.9
207.11726	11.1
209.13246	13.2
210.14046	1.7
211.14838	7.6
213.16435	2.5
217.10194	1.3
219.11722	4.1
220.12616	1.3
221.13255	10.0
223.14813	9.2
225.16379	5.5
233.13242	5.1
235.14859	6.1
237.16341	7.3
239.18025	4.1
245.19139	1.1
247.14926	3.0
249.16374	3.8
251.18005	3.9
253.19614	2.1
257.19055	2.2
259.20547	2.3
263.17984	2.2
265.19586	2.5
275.20139	4.8
277.19476	2.3
291.20908	1.5
307.20499	1.5
309.21909	1.6
315.23264	1.4
321.22351	2.3
323.23688	1.3
325.21600	1.2
327.23334	1.3
335.23428	1.8
339.18134	1.2
348.09756	0.9
349.25159	1.8
361.25333	1.5
363.26788	2.4
365.28503	2.0
377.28616	1.3
391.30133	1.9
421.31378	1.8
433.30847	1.5
445.30969	3.5
463.31888	1.5
497.37985	2.2
515.38995	14.9
533.40057	8.4
537.35291	1.7
538.36694	1.5
545.40332	1.2
551.40491	3.3
589.42346	9.9
607.35089	5.3
607.43524	100.0
608.44043	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.3
53.03959	9.7
55.01873	9.0
55.05260	3.3
55.05510	35.1
56.00287	1.5
57.03439	15.6
57.07060	3.6
61.02929	2.9
65.03944	5.1
65.58434	1.8
66.00798	2.1
67.05505	75.5
67.83674	2.0
69.03427	24.3
69.07068	31.5
71.04984	8.9
71.57813	2.6
73.02902	2.6
77.03918	3.1
79.05492	73.2
80.45471	1.8
81.03419	48.3
81.07055	85.4
83.04980	10.3
83.08622	15.4
85.02905	15.4
85.06549	5.4
91.05480	100.0
93.07040	73.3
95.04965	17.4
95.08607	59.1
95.09064	1.5
97.02879	10.1
97.06557	12.2
97.10172	7.5
99.04436	8.9
99.08060	2.0
103.03943	4.2
103.05477	5.0
105.04522	2.0
105.07030	75.2
107.04958	7.8
107.08599	38.4
109.02876	21.6
109.06546	9.0
109.10152	17.9
111.04444	5.7
111.08089	5.9
113.06017	2.0
115.05466	6.4
116.06253	3.0
117.07019	40.1
119.08576	56.5
121.06507	10.8
121.10146	31.5
123.04402	2.4
123.08076	7.7
123.11723	4.2
125.09638	3.6
127.03913	31.3
127.07558	2.1
128.06221	10.7
129.05479	4.0
129.07004	37.6
130.07788	2.9
131.08566	72.8
133.06497	7.5
133.10138	37.3
135.08075	6.9
135.11687	11.0
137.05969	4.2
137.09584	3.4
139.11313	2.4
141.06982	19.0
142.07787	6.7
143.07434	1.5
143.08553	40.6
145.06543	6.5
145.10120	43.8
147.08060	9.6
147.11691	12.7
149.09624	12.6
149.13258	8.1
151.11211	3.5
153.07014	4.6
154.07759	3.9
155.08543	21.8
156.09259	4.1
157.06482	3.7
157.10129	27.1
159.08060	5.5
159.11679	25.2
161.09618	7.6
161.13280	7.0
163.11269	2.4
165.05524	2.8
165.06984	4.2
166.07753	2.7
167.07344	2.6
167.08528	14.1
168.09338	2.9
169.10121	24.5
171.07954	2.8
171.11693	20.2
173.04515	2.2
173.09647	2.6
173.13275	12.3
175.11086	4.1
175.14810	3.2
177.12718	4.1
179.08560	5.4
180.09355	3.6
181.10107	19.9
182.10979	2.2
183.06528	9.3
183.11687	18.9
185.09601	3.3
185.13300	10.9
187.11159	3.5
187.14825	7.2
189.12764	3.2
193.10117	8.0
195.11737	16.8
195.13513	2.9
197.13203	14.5
199.11287	3.1
199.14833	7.0
201.12727	4.3
201.16365	2.2
205.10133	3.2
207.11665	7.2
209.13292	14.8
211.14856	9.0
213.12843	4.3
213.16412	2.4
215.14346	2.6
219.11687	2.9
219.13773	2.8
221.13287	6.4
223.14856	10.5
225.16415	6.5
227.14468	3.4
227.17891	3.2
229.16000	2.7
229.75938	1.8
233.15428	3.7
235.14813	4.7
235.17015	2.1
237.16339	6.0
239.17992	4.4
241.15935	3.7
245.19327	2.2
247.16896	5.2
249.16505	3.0
251.18082	2.7
255.17273	2.4
257.19003	3.9
259.17136	4.3
259.20319	2.3
261.18561	2.3
265.19543	2.4
269.19141	3.1
271.16953	2.7
273.18430	4.7
275.20065	5.8
277.14536	2.1
293.18893	2.5
309.22314	2.5
315.23312	2.3
325.21756	2.6
325.25201	6.0
335.23669	14.4
343.26242	15.6
351.22800	1.9
353.24808	37.1
363.26663	2.3
367.26321	2.3
371.25818	51.7
372.25998	2.1
379.25934	2.1
381.27475	2.9
387.25293	2.8
389.26917	46.3
425.24527	1.9
427.28625	4.4
431.27896	7.5
445.29498	36.9
446.29376	2.4
463.30814	11.0
479.27484	2.2
487.30545	3.5
497.28860	4.7
505.31653	3.0
515.29926	15.4
515.38727	8.6
533.30920	5.4
533.39935	6.7
537.35150	2.4
551.40045	3.1
571.32489	4.1
589.33698	8.1
589.42340	4.0
607.25494	4.2
607.34515	24.5
607.43414	66.8
608.26166	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25816	1.5
53.03942	9.7
55.01867	6.1
55.05507	23.9
56.37701	1.3
57.03437	9.5
57.07076	1.7
58.22947	1.4
61.02911	1.4
65.03931	4.1
65.51868	1.7
67.05505	53.8
69.03429	22.1
69.07061	16.9
71.01350	2.1
71.04997	9.1
71.58984	1.7
71.59367	2.0
75.04474	2.1
79.05489	52.0
81.03416	59.2
81.07050	73.8
83.04974	20.5
83.08624	10.5
85.02895	13.1
85.06552	3.8
86.80706	1.3
91.05473	46.3
93.07039	100.0
94.07370	1.8
95.04975	19.1
95.08603	26.1
97.02879	7.2
97.06520	11.9
97.10190	2.3
99.04453	5.8
99.08095	2.9
103.03884	1.5
103.05460	2.5
105.04513	1.5
105.07027	25.9
107.04961	4.1
107.08589	37.6
109.02879	10.1
109.06496	6.6
109.10110	3.2
111.04439	14.8
111.08076	6.9
115.05425	2.4
117.07001	12.0
119.08572	18.7
121.06503	8.3
121.10140	50.4
123.08056	5.0
123.11708	5.1
127.03925	7.2
129.05467	4.8
129.07008	5.9
131.04898	2.1
131.08585	19.0
133.06464	3.2
133.10124	12.9
135.08080	5.9
135.11682	8.0
137.06038	3.4
139.07518	2.0
139.11180	2.9
141.07005	1.7
142.07663	2.1
143.08577	4.8
145.06453	2.7
145.10139	6.4
147.08028	4.6
147.11671	10.0
149.05974	1.8
149.09612	19.1
149.13249	17.2
151.11139	1.4
155.08609	2.3
157.10107	3.0
159.08058	2.0
159.11693	12.4
161.09717	3.7
161.13237	3.7
163.07568	2.4
165.12747	3.9
167.07076	1.9
167.10617	2.6
169.10121	1.7
171.11720	2.7
173.09610	1.5
173.13272	2.4
175.11165	2.5
177.09029	2.4
177.12781	7.6
179.75229	1.6
183.06544	3.7
185.13248	1.8
187.11241	2.3
193.12250	2.2
195.11845	2.3
195.13777	14.0
197.13301	1.6
201.09288	2.0
203.10762	1.4
213.12782	2.1
213.14786	2.9
222.00882	1.4
257.15289	2.3
259.13196	2.0
267.15912	3.9
269.17313	7.5
275.16431	2.4
277.14496	4.6
295.15359	8.7
303.16016	1.7
321.16971	2.4
339.17908	9.8
371.25909	1.7
395.20538	11.0
445.29691	4.8
463.30460	9.7
589.33221	2.3
607.34692	57.3
608.34351	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2907
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
54.77246	0.9
63.15878	0.9
64.82999	1.1
71.07539	1.4
71.07878	2.2
81.19656	1.0
82.51997	1.1
98.14252	0.9
277.31454	1.0
296.11816	1.0
358.28384	1.3
389.17426	2.1
401.17593	1.4
402.18307	1.5
403.19260	5.1
405.20502	1.8
416.20453	1.2
417.21402	4.8
418.21545	3.4
419.22241	4.0
430.17688	1.8
431.18164	11.4
432.18741	1.9
432.23776	2.0
433.19067	1.4
433.24063	17.5
434.24774	2.0
445.19717	12.2
446.20621	6.7
447.21664	7.6
459.20920	7.9
460.22470	33.5
461.23325	35.9
462.23877	1.3
473.23831	5.2
474.24112	4.2
477.23227	1.6
487.24918	3.9
491.24316	1.6
492.24841	1.2
505.21875	5.2
506.27170	1.7
519.22986	2.1
519.29156	1.7
532.24487	2.8
547.27014	95.6
548.27405	5.4
575.26550	1.7
579.29871	3.0
607.29071	100.0
608.29126	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2545
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.61654	0.3
57.01347	0.3
57.03424	0.4
59.52926	0.3
60.12639	0.3
61.73741	0.3
66.84086	0.3
67.05497	1.0
69.03413	0.3
69.07072	0.5
69.15582	0.2
70.83096	0.8
71.04974	0.2
79.05490	1.0
81.03411	0.5
81.07047	1.3
83.04996	0.4
83.08630	0.3
83.94742	0.3
85.02912	0.3
88.97771	0.3
91.05468	1.0
93.07033	1.4
94.06589	0.3
95.08613	0.6
96.51677	0.3
107.08622	0.4
117.07025	0.3
119.08583	0.4
121.10146	0.8
131.08591	0.7
149.86725	0.3
159.11653	0.4
209.10822	0.4
227.19905	0.3
312.14948	0.3
362.16412	0.4
373.14532	0.6
374.15475	0.7
375.16138	0.7
376.17172	0.5
377.18246	0.4
387.16211	0.9
388.16928	1.1
389.17633	2.8
390.18564	1.2
391.19232	1.2
401.17746	0.9
402.14117	0.5
402.18597	1.2
403.15564	0.6
403.19504	4.7
404.20102	1.8
405.20773	3.0
415.14984	0.4
415.19803	0.5
416.16275	1.2
416.20901	0.5
417.16202	4.2
417.21115	2.3
418.17795	1.3
418.21945	1.1
419.17776	0.5
419.22473	6.5
420.23038	0.7
427.23947	0.3
429.17023	0.6
430.17749	1.1
431.18298	8.3
432.19098	4.2
433.20160	3.8
433.24539	0.3
435.22195	0.4
443.18716	0.6
445.20093	5.0
445.29309	0.4
446.20917	8.1
447.21725	9.3
448.22629	0.6
459.22919	2.3
460.18582	0.7
461.19437	1.8
463.20755	0.6
463.25607	0.5
463.30829	0.4
473.23462	1.1
474.20340	5.5
475.20969	4.9
477.22943	0.9
478.23380	0.9
487.21280	1.8
488.22403	0.5
490.23505	0.6
491.20013	3.6
501.22766	0.9
503.24936	0.3
504.21643	0.7
505.22122	0.6
506.22812	0.5
519.24054	16.6
520.24078	0.6
547.23346	11.7
548.23956	0.6
551.27142	0.4
561.25458	0.4
575.22833	0.6
579.26050	6.2
589.24249	0.5
607.25482	100.0
608.25830	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	607.2908
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
54.35627	0.3
62.48212	0.3
70.75312	0.8
73.40169	0.3
73.55189	0.2
109.53423	0.2
256.28384	0.2
374.43253	0.3
389.17441	0.4
402.18457	0.3
403.07797	0.3
403.19315	1.0
404.19705	0.4
405.20938	0.5
405.62967	0.2
416.20145	0.4
417.20984	0.8
418.21698	0.5
419.22372	1.0
431.18259	3.5
432.19431	0.9
433.24030	5.0
434.24628	1.3
445.19879	3.1
446.20584	2.2
447.21606	3.0
459.21353	2.8
460.22449	10.4
461.23303	10.9
462.23792	0.9
473.23590	2.4
474.24146	1.1
477.22568	0.7
487.25156	1.6
488.25864	0.5
489.22977	0.4
491.24661	0.5
492.25171	0.6
505.21869	2.9
506.26724	0.4
515.24646	0.6
518.23090	0.4
519.24268	2.0
520.23694	0.5
532.24841	0.7
533.25262	0.7
547.27026	25.0
548.27399	2.7
575.26477	1.1
579.29327	0.5
592.26624	0.5
607.29095	100.0
608.29584	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	607.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01841	1.5
55.05511	3.4
57.07050	1.6
62.34740	0.5
67.05501	8.4
69.07060	6.1
69.31902	5.5
70.95261	0.5
71.08604	0.8
79.05072	0.5
79.05490	7.5
81.03400	1.2
81.07056	9.6
83.04943	1.5
83.08607	2.6
85.06501	0.7
91.05475	11.2
92.05802	0.5
93.06572	0.5
93.07044	6.5
95.01296	1.2
95.04937	2.0
95.08598	6.0
97.06498	2.3
97.10163	0.8
105.07035	11.6
107.04931	2.8
107.08621	3.9
109.06501	0.5
109.10123	1.9
117.07024	2.8
119.07832	0.5
119.08585	7.3
121.06506	1.0
121.10094	2.0
123.08121	0.5
123.11680	1.1
125.09570	0.6
129.06973	1.4
131.08563	5.2
133.10135	6.2
135.11671	1.3
141.07002	1.0
142.07784	0.7
143.08521	1.8
145.10117	3.7
147.11702	3.9
148.12009	0.8
149.09593	1.5
155.08553	1.1
157.10110	1.8
159.11659	2.9
161.13234	1.4
165.57112	0.5
169.10072	1.2
171.11673	1.7
173.13240	1.8
179.14259	1.9
183.11641	1.3
185.13193	1.4
187.14778	0.8
199.14967	0.6
207.09030	0.7
209.13403	0.8
221.10661	0.8
223.14813	0.8
237.16386	0.8
241.19456	0.8
257.18906	0.6
259.20627	2.1
275.17316	0.7
275.20084	9.3
276.20453	1.0
314.27524	0.6
315.23154	2.0
324.14911	0.7
348.07306	0.5
349.23743	1.4
373.14523	0.7
374.15265	0.9
375.15970	1.1
386.16727	0.6
387.16116	1.8
388.16953	1.8
389.17627	4.7
390.18335	1.3
391.19366	1.1
401.17834	1.5
402.14029	1.0
402.18488	1.8
403.14771	0.8
403.19458	6.4
404.20197	3.0
405.20779	3.3
415.15109	1.1
416.16302	2.3
417.16028	5.2
417.20996	3.8
418.22195	1.0
419.17697	0.9
419.22470	9.3
420.22964	1.3
430.17761	1.9
431.18188	11.0
431.23410	0.9
432.19122	4.2
433.20035	3.7
438.24146	0.6
443.18796	0.9
445.20120	8.5
446.20935	8.7
447.21808	13.1
459.18021	2.7
459.22806	1.3
460.22940	1.3
461.19577	1.9
463.24664	2.0
473.19186	1.3
474.20389	13.8
475.21213	13.9
477.23343	0.7
487.21063	3.3
488.21951	1.5
490.23358	1.9
491.20810	1.6
491.25195	1.2
501.22940	1.8
503.24545	0.6
504.21414	0.7
505.22046	1.5
506.23758	0.7
518.23010	0.6
519.24066	13.2
520.24762	0.7
532.20923	1.1
547.23376	85.2
548.23688	3.4
561.25012	1.7
579.25891	5.3
589.24396	1.4
607.25476	100.0
607.43378	8.0
608.25922	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	607.2547
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.15203	0.2
62.65297	0.2
67.05510	0.2
69.40217	0.2
70.32789	0.2
70.65421	0.7
79.05488	0.2
81.44344	0.2
91.05511	0.2
93.07024	0.2
95.04953	0.2
147.58783	0.2
179.72867	0.2
196.09920	0.3
197.10719	0.3
207.09238	0.3
209.10773	0.3
211.12169	0.2
217.98265	0.2
221.10815	0.4
237.10194	0.2
249.10416	0.2
251.11850	0.2
262.10385	0.2
286.13556	0.3
354.15979	0.2
373.14807	0.3
374.15433	0.8
375.16132	0.9
376.17273	0.4
387.15970	0.5
388.17078	1.0
389.17630	2.6
390.18451	0.8
391.19150	1.0
401.17752	0.7
402.14215	0.4
402.18622	0.8
403.15430	0.6
403.19455	4.7
404.15643	0.2
404.20139	1.6
405.20792	3.5
407.22040	0.3
415.19446	0.6
416.16382	1.0
416.20895	0.4
417.16205	4.1
417.21155	2.1
418.17758	0.9
418.21866	0.8
419.17709	0.4
419.22461	5.6
420.23083	0.9
429.16641	0.3
430.17203	1.1
431.18378	7.7
432.19171	3.3
433.20065	3.6
434.20724	0.2
435.21970	0.2
443.18552	0.5
444.19775	0.5
445.20200	5.7
445.25626	0.3
446.20981	8.2
447.21704	8.0
448.22592	0.6
448.49063	0.2
456.19925	0.3
459.17487	0.8
459.21896	1.7
460.18799	0.8
460.23758	0.3
461.19629	1.7
462.24326	0.6
463.20819	0.7
463.25449	0.7
473.19073	0.7
473.23608	0.7
474.20438	5.5
475.21112	4.6
476.22095	0.6
477.23282	1.0
478.23694	0.8
487.21545	1.4
488.21967	0.3
490.23541	0.7
491.20053	3.1
501.22980	1.3
504.21594	0.4
505.22388	0.7
518.23358	0.3
519.24115	14.9
520.24603	0.7
529.21942	0.4
547.23383	13.5
548.23853	0.8
551.26392	0.3
561.24725	0.4
579.26068	5.6
589.24457	0.5
607.25488	100.0
608.25751	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	607.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75182	2.3
53.33020	2.5
55.05503	7.4
57.03415	3.5
60.60001	2.5
67.05510	9.3
68.15589	2.5
69.07057	3.1
71.33032	6.3
79.05498	8.4
81.03440	2.9
81.07056	10.3
83.04995	3.2
83.08611	2.8
91.05463	6.1
93.07044	10.5
95.08605	7.9
98.21437	2.5
105.07034	6.9
107.08605	3.7
109.10165	3.3
117.07063	2.8
119.08585	6.3
121.10164	6.8
131.08620	6.4
133.10172	4.7
157.10153	4.3
169.10182	3.3
183.11639	3.0
195.11771	3.0
210.94391	2.8
219.28647	2.3
220.53564	2.4
388.17218	3.8
389.17590	4.0
403.19531	8.5
405.20676	4.8
417.17007	7.2
419.22394	10.7
420.04071	2.9
431.18320	13.0
432.19733	3.9
439.11252	2.6
445.20218	7.0
446.21152	9.3
447.21704	15.4
466.71832	2.6
474.20743	9.3
475.21228	12.2
487.20905	3.4
494.31360	2.6
519.24060	15.4
547.23419	67.5
548.24304	3.3
560.70520	2.6
579.25995	4.0
607.25598	100.0
607.42975	15.8
608.25739	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	607.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01871	0.7
55.05490	0.9
55.55101	0.4
57.03419	0.8
60.83155	0.5
61.02917	1.1
65.03927	0.5
67.05480	1.9
69.03429	3.8
69.07050	0.8
69.86543	1.0
69.86965	1.4
70.06582	2.6
71.04983	0.7
72.08136	1.0
73.02915	1.2
77.12764	0.4
79.05477	2.1
81.03416	2.9
81.07040	2.8
83.04974	0.7
84.08134	1.7
85.02902	4.7
86.09689	1.5
87.00806	0.8
91.03875	0.5
91.05468	2.9
93.07033	3.2
95.04935	1.3
95.08580	1.3
97.02883	3.5
99.04417	0.7
103.03998	0.5
105.07012	1.2
107.04942	0.9
107.08590	1.1
109.02874	1.5
109.06513	0.7
109.10130	0.9
110.07111	0.5
111.32504	0.5
111.67751	0.4
114.10326	0.5
119.08562	1.2
120.08121	0.8
121.02854	0.5
121.10120	1.4
123.04420	0.6
123.11705	0.6
127.03891	2.5
127.93551	0.4
129.07071	0.5
129.10226	0.9
131.08539	0.7
133.10136	0.7
136.06152	0.9
137.02261	0.4
137.05981	0.9
145.04909	0.5
145.06538	0.4
145.10057	0.6
147.04408	1.5
147.11679	0.8
149.09581	1.0
151.03905	3.8
161.05920	0.5
163.03870	0.9
165.01811	4.4
167.07104	0.7
170.97052	0.4
175.03735	0.7
177.05466	1.0
181.04953	1.1
187.06021	0.5
207.06564	0.6
213.05406	0.7
229.05078	1.0
230.05783	0.5
241.05014	1.6
245.08122	1.4
255.06516	0.7
257.04315	0.6
258.05249	1.3
269.04471	1.2
273.07565	5.8
281.17526	0.6
283.05936	0.9
285.03970	1.1
286.04785	2.6
297.04184	0.5
298.04950	0.5
299.05484	1.1
300.06308	1.0
301.07004	10.4
313.03317	0.9
314.04123	2.2
315.05185	0.8
315.08652	1.8
327.05060	1.0
328.05734	1.2
329.06534	29.5
330.06839	0.7
343.08063	4.6
344.08884	40.7
345.09439	0.8
357.09747	1.9
359.11227	100.0
360.11520	1.0
401.12225	1.8
411.76074	0.4
521.16522	21.0
563.18164	2.5
589.15198	2.9
607.16467	3.7
607.33301	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79418	0.4
56.53800	0.3
63.02347	0.5
65.03938	1.5
68.70650	0.4
69.03412	1.2
69.21158	0.3
70.06589	1.0
70.75735	0.5
71.05003	0.4
73.02919	0.4
77.03922	0.7
79.05466	0.5
81.03407	3.7
82.99004	0.4
83.04958	0.4
85.02914	1.8
89.03887	3.8
89.30938	0.3
91.05474	20.2
93.07056	0.4
95.04937	0.6
97.02862	0.4
98.20677	0.5
99.04452	0.4
103.05486	0.5
105.03339	0.4
109.02848	1.5
114.48241	0.4
117.03382	12.5
119.04935	29.1
120.78536	0.4
124.46771	0.4
127.03912	0.6
129.03380	0.7
132.02074	1.3
134.03604	0.9
135.04376	1.2
136.05171	0.4
137.09567	0.4
145.02835	44.8
147.04399	27.6
148.04726	0.5
149.02335	1.2
149.05966	5.0
157.03981	1.9
162.03156	0.6
163.03935	0.6
164.04691	1.0
175.03902	46.8
176.04323	0.5
177.05458	95.1
178.02629	0.4
178.05756	1.0
179.07010	2.4
183.04309	0.4
186.05443	1.0
192.04115	1.1
207.06516	100.0
208.06834	1.0
220.09692	0.9
225.07617	0.5
238.10722	29.2
280.11707	0.5
351.10794	6.6
369.11734	4.0
532.41064	0.4
606.31738	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01879	16.7
55.05514	34.1
57.03426	7.8
57.07076	58.2
63.91496	2.7
65.03929	8.7
67.05504	78.9
69.07063	31.2
70.15135	2.4
70.84595	3.3
70.84940	4.2
71.04980	6.9
71.08630	37.5
77.28194	2.7
79.05491	49.0
81.06587	5.0
81.07059	92.4
83.04978	5.6
83.08625	26.9
85.06535	4.3
85.10181	20.7
91.05481	44.2
93.07039	40.2
95.04980	12.6
95.07984	2.9
95.08605	59.5
97.06538	22.6
97.10156	12.8
105.07035	39.8
107.04964	19.3
107.08595	36.1
109.06520	14.6
109.10162	29.6
111.08085	3.6
115.05490	2.2
117.07010	8.5
119.08592	33.9
120.17843	2.4
121.06496	3.4
121.10146	18.5
123.08059	5.3
123.11704	13.1
125.09617	10.1
127.52386	2.4
129.07011	2.8
131.08569	13.6
133.10132	25.4
135.08057	8.5
135.11676	7.7
137.09631	5.5
137.13284	3.6
139.11159	3.2
143.08475	3.2
145.10095	24.5
147.11674	19.1
149.09622	33.4
149.13263	4.6
155.63220	2.4
157.10017	4.2
159.11703	16.8
161.09680	2.8
161.13257	5.8
163.11183	14.7
163.14932	2.8
165.09117	3.1
165.12730	3.5
171.11685	2.5
173.11884	2.6
173.13268	7.8
177.12767	6.6
179.14127	3.4
183.11723	4.9
189.11206	6.0
193.37335	2.3
227.12791	15.4
229.19476	3.1
239.17944	5.3
239.23666	8.5
247.20558	4.7
257.19043	15.6
275.20056	100.0
293.21240	12.2
313.27344	62.4
331.22607	3.5
349.23688	34.5
416.07852	2.6
587.46637	33.3
605.48303	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.1
55.01883	7.2
55.05508	18.1
57.03432	20.8
59.05007	3.3
61.02925	39.6
65.03944	6.7
67.05180	3.3
67.05502	41.3
69.03423	36.5
69.07057	15.9
70.06617	3.5
71.04979	6.9
72.08128	4.2
73.02911	14.5
79.05487	58.4
81.03412	44.3
81.07056	45.3
83.04977	16.9
83.08632	7.4
84.08154	6.4
85.02898	58.8
85.06536	3.6
86.09720	3.3
87.04471	6.1
91.03964	23.2
91.05473	60.5
93.07038	62.2
95.04951	29.6
95.08598	21.4
97.02883	58.5
97.06525	7.4
97.10183	6.0
99.04451	10.9
101.02378	6.0
103.03925	7.0
105.07024	42.4
107.04966	13.0
107.08582	19.7
109.02883	12.1
109.06520	10.0
109.10146	6.4
111.04471	5.6
111.08082	4.4
115.05445	6.2
117.07024	14.6
119.04926	9.2
119.08585	24.9
121.06506	5.5
121.10125	15.8
123.08095	7.6
123.11688	2.9
127.03879	26.0
128.06232	5.5
129.05479	8.1
129.06984	21.7
131.04951	3.6
131.08574	17.1
133.06482	8.7
133.10126	10.0
135.08086	8.0
143.08565	13.8
145.02892	3.9
145.04950	11.1
145.06514	3.6
145.10106	14.2
147.04338	16.0
147.08037	5.5
147.11681	33.0
149.09622	4.3
155.08546	6.1
157.06433	5.3
157.10078	3.7
159.08006	6.0
159.11668	4.1
161.09613	3.9
161.13225	14.9
163.11208	3.5
169.10184	3.3
171.08064	6.7
171.11668	32.0
173.04462	7.7
175.03915	5.1
175.07576	4.7
177.05475	11.3
183.06549	6.6
189.12723	18.2
207.06436	8.1
207.13797	34.7
221.15298	4.4
230.15514	4.7
231.14975	13.4
257.15448	3.3
269.15259	4.0
281.17468	100.0
287.16418	12.3
305.17401	5.9
309.17038	5.5
323.18542	10.6
343.19031	6.1
351.18002	3.5
361.19992	12.2
379.20816	5.5
389.19400	5.3
407.20578	4.7
425.21628	9.5
443.22803	3.8
476.30170	5.8
539.97040	3.2
605.31628	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	604.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.1
55.01894	7.5
55.05503	25.5
56.03130	6.8
57.03422	7.0
67.05502	95.1
69.03424	38.1
69.07063	26.0
69.60047	49.8
71.04996	12.7
71.20859	5.0
75.64990	6.6
79.05488	53.3
81.03414	52.6
81.07058	67.9
83.04987	10.1
83.08615	21.2
85.02895	19.4
89.83107	7.3
91.05486	66.0
93.07042	66.7
95.04947	11.7
95.08598	50.3
97.02891	20.5
97.10168	8.4
98.20801	11.8
105.07016	40.7
107.04936	7.9
107.08617	47.9
109.02905	13.7
109.10170	26.1
117.07049	17.6
119.04977	18.6
119.08578	39.5
121.10117	34.3
122.45260	6.9
123.12596	6.5
127.03904	10.0
129.07024	9.0
131.08597	42.9
132.86398	7.0
133.10152	21.7
135.11687	27.4
145.10120	32.7
147.04414	100.0
147.11690	22.5
149.13315	13.5
157.10181	8.1
159.11688	22.4
163.14799	7.2
166.36638	7.1
173.13341	27.7
175.11267	7.3
183.11609	8.3
199.14809	7.7
257.68222	6.9
261.22034	14.1
273.21893	7.6
275.49203	6.6
278.27155	6.5
289.21658	11.2
299.75598	6.7
303.23303	12.4
315.23196	9.7
331.21423	8.2
341.24533	12.1
351.23187	8.6
353.92569	8.4
369.24310	25.1
380.67996	7.0
387.25360	18.1
405.26404	15.9
488.76477	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	605.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	4.9
70.01627	9.4
70.02020	7.2
81.07066	4.8
93.07069	3.2
95.08636	4.9
98.15410	3.8
98.20724	4.2
101.61720	3.7
161.87146	3.8
167.99928	3.3
197.94612	3.3
208.97681	3.3
221.48260	3.6
264.26538	3.6
275.19934	4.1
306.46259	5.0
376.29614	3.2
415.19403	4.0
429.20795	7.2
443.22610	6.0
444.23407	6.1
445.24161	5.2
471.20786	3.8
472.22375	5.2
473.23166	4.1
485.23364	6.5
487.24911	22.4
545.25775	17.0
546.25482	4.6
605.27594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.1
54.95106	1.9
55.01862	7.0
55.05506	12.1
55.16794	1.6
57.03435	25.2
57.07068	34.3
64.87118	1.4
65.03936	4.6
67.05501	55.8
69.03422	3.2
69.07071	12.2
70.04472	1.8
71.05002	3.0
71.08624	20.5
71.58693	2.2
79.05486	30.2
81.03434	2.7
81.07050	34.8
83.04959	3.8
83.07843	1.8
83.08627	9.5
85.06540	17.9
85.10168	8.8
88.05653	1.7
91.05475	26.2
93.07037	25.9
93.79752	1.7
95.04962	47.3
95.08600	25.2
97.06525	4.3
97.10157	5.4
105.07021	13.7
107.04949	9.1
107.08035	1.6
107.08590	14.9
109.06509	70.1
109.10164	10.7
111.04504	2.0
111.08054	3.5
113.05999	49.8
115.05425	2.9
116.06192	1.9
117.07002	10.8
119.08577	8.9
121.06498	3.6
121.10123	5.7
123.08039	4.0
123.11655	3.4
125.09618	1.8
127.15405	1.7
128.06133	2.8
129.06981	7.6
131.08562	15.7
133.06471	3.1
133.10153	5.7
135.08055	39.9
135.11690	6.3
137.09613	1.9
141.06947	2.7
143.08569	9.1
144.10733	1.6
145.06430	2.6
145.10092	9.9
147.08028	5.1
147.11629	3.4
149.09607	5.8
157.10085	6.0
159.11713	5.4
161.09637	9.5
161.13232	2.9
163.11206	5.2
171.11765	3.8
173.13229	2.7
174.54265	1.6
175.11310	2.6
177.12753	2.0
183.11690	2.2
185.09723	1.9
190.92116	1.6
199.14804	5.1
202.97513	1.7
217.15857	16.0
227.18088	2.5
233.15526	2.2
245.19029	3.1
255.17369	5.0
273.18475	43.8
279.15912	2.4
291.19522	100.0
309.20459	1.9
313.27289	12.7
347.22116	7.3
350.29535	1.7
374.42743	1.5
408.71384	1.9
430.58252	1.7
464.48196	1.9
585.45038	3.4
603.46112	31.4
612.63635	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10772	4.1
53.03934	7.8
55.01873	28.3
55.05512	77.7
57.03450	7.4
59.04984	6.2
59.15216	4.8
65.03934	4.7
67.05507	100.0
69.03422	12.9
69.07072	59.8
69.45179	8.4
69.45588	32.9
69.47330	4.0
71.04974	8.6
72.46683	4.9
79.05498	69.9
81.03422	13.1
81.07058	99.9
83.04977	10.8
83.08636	37.4
84.08137	5.4
85.02908	12.5
85.06528	5.3
87.04541	4.6
91.05478	77.4
93.07044	89.5
95.04984	27.2
95.08609	73.6
97.06535	32.2
97.10165	38.4
105.07024	70.0
107.04961	14.2
107.08605	68.9
109.06509	12.5
109.10159	29.7
111.04439	8.1
111.08083	5.9
117.07020	33.0
119.08578	64.4
121.06511	12.2
121.10145	39.2
123.04429	5.1
123.08092	12.2
123.11713	10.9
125.09623	23.9
128.06242	6.0
129.07001	20.4
131.08553	35.9
133.10112	49.5
135.08070	10.4
135.11671	12.8
136.06151	6.4
137.09631	9.7
139.11212	5.1
141.07036	7.9
143.08563	22.0
145.06483	10.2
145.10117	37.5
147.08023	10.5
147.11685	28.5
149.09677	24.4
149.13191	8.8
151.11203	9.1
153.08981	4.9
155.08575	12.2
157.10153	19.9
159.11700	22.1
161.09647	6.4
161.13274	12.7
163.11189	10.1
169.10114	10.2
171.11722	17.1
173.11795	9.7
173.13191	12.3
175.11134	7.3
175.14902	8.6
179.14345	4.9
181.10075	8.7
183.11745	16.6
185.13344	13.4
189.11227	23.6
189.12733	5.9
197.13200	9.4
199.14827	9.1
211.13272	9.3
229.07813	5.0
257.19037	7.1
273.18762	5.4
275.20105	86.3
291.19556	21.0
293.21051	9.3
301.21683	7.6
319.22754	7.8
338.98749	4.9
345.10699	5.2
399.28738	10.4
431.18793	10.1
455.31723	5.2
473.32486	8.8
531.38409	7.0
549.39368	7.8
567.40320	19.5
585.41443	14.9
603.41089	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	603.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66081	0.5
54.40045	0.6
55.01854	0.8
55.02993	3.6
55.05495	2.4
59.31109	0.6
60.05371	1.0
60.05648	13.2
68.05000	0.7
69.03413	2.5
70.06585	6.1
71.53324	0.5
71.57603	1.1
72.08153	41.5
72.43326	0.6
73.06553	0.6
81.03371	0.7
82.02958	0.9
84.04501	1.3
84.08139	1.7
85.02896	3.4
86.09664	1.6
89.10825	1.0
91.05486	4.5
94.33498	0.7
97.02880	1.4
97.07653	14.3
98.02420	2.2
98.06040	1.6
99.00806	0.7
105.07079	0.6
107.04936	2.0
109.02843	0.9
110.02402	19.7
110.07150	0.7
114.10286	36.9
115.08683	5.2
119.04941	14.0
123.04408	0.8
127.03951	1.0
129.10208	1.4
131.12920	36.0
132.39011	0.6
147.04404	90.7
148.04816	1.3
149.04980	0.7
152.07062	20.6
152.08261	1.4
166.09798	0.7
170.08130	2.1
194.09238	11.9
211.12039	0.9
212.08336	1.9
213.09059	0.9
217.13332	7.5
217.14871	0.6
218.11743	7.1
218.13658	1.0
227.06851	0.7
235.14503	0.8
248.98500	0.7
251.07108	0.7
260.13940	6.1
277.16574	18.4
293.07977	1.0
441.21375	5.9
503.09891	0.7
585.25861	0.9
603.26599	100.0
604.26642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17305	0.4
55.02980	1.7
55.05501	2.4
60.04509	0.5
60.05646	11.5
60.63675	0.5
69.03403	1.1
70.06593	2.9
71.57555	0.7
72.08153	34.7
73.04034	0.5
79.05451	0.5
80.01360	0.5
81.03400	1.0
82.02901	0.7
84.04481	0.9
84.08137	1.6
85.02882	2.3
86.06068	0.6
86.09699	1.6
88.46848	0.5
89.10767	0.7
90.66908	0.6
91.05488	3.7
93.07018	0.6
97.02862	1.4
97.07654	11.0
98.02384	1.5
98.06052	1.8
99.00812	0.8
107.04949	1.4
109.02903	0.7
110.02396	18.5
114.10286	33.4
115.08691	3.2
119.04933	10.6
126.05439	0.6
129.10237	1.0
131.12921	32.9
139.03857	0.7
145.06416	0.8
147.04404	77.0
148.04781	0.9
152.07063	17.6
152.08182	0.8
163.03877	0.6
169.09731	1.1
170.08162	2.6
177.05479	1.1
192.94839	0.6
194.09247	11.5
212.08350	2.0
213.09119	1.2
217.13350	5.9
218.11749	5.2
223.07570	0.7
237.09215	0.7
251.06993	0.7
260.13858	4.4
265.08545	0.8
277.16595	16.4
293.08023	1.5
331.22580	0.6
441.21344	4.3
457.18927	0.7
504.27856	0.6
603.26605	100.0
604.26740	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
56.55581	0.8
56.78503	0.6
57.03410	0.8
60.04491	0.7
60.05627	1.6
61.02901	0.8
66.51753	0.5
69.03426	3.1
69.73700	2.5
69.74104	0.9
70.06590	3.1
72.08151	14.3
73.02928	0.7
76.77589	0.6
81.03429	1.3
84.04484	1.7
84.08116	2.0
85.02902	5.4
86.06050	0.7
86.09691	1.4
87.05573	1.1
89.10786	1.2
91.05479	4.1
91.82211	0.6
97.02893	1.8
97.07663	3.8
98.06081	1.3
110.02453	2.8
111.57295	0.6
114.10287	21.4
115.08691	4.0
119.04108	1.0
119.04942	14.4
127.03906	1.4
129.10201	1.7
131.04927	0.9
131.12903	1.6
147.04407	100.0
148.04706	1.2
152.07040	2.4
177.05592	0.6
194.09251	1.3
200.04402	0.6
217.13316	6.8
218.11748	12.7
260.13925	9.2
261.14139	0.7
277.16611	2.5
349.18176	0.7
424.18881	1.4
441.21399	5.5
603.26630	91.7
604.27051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	0.7
69.10330	0.6
70.06580	1.0
72.08131	1.8
81.03415	1.2
83.53561	0.6
85.02893	1.0
86.09684	0.9
87.63297	0.7
91.05471	1.9
93.07027	1.5
98.21552	1.0
98.97198	0.6
107.08566	0.8
108.04536	0.6
114.10271	2.0
115.08655	0.6
117.03336	0.8
119.04940	1.7
119.08533	1.6
121.10134	1.2
124.52043	0.7
136.06195	3.9
136.09665	0.6
137.02332	2.1
137.06555	0.7
137.39449	0.7
139.97603	0.7
145.02831	1.8
147.04401	10.8
149.09622	0.8
153.01814	1.8
163.03944	0.7
177.05478	2.9
199.02138	1.1
207.06503	0.7
216.24692	0.7
235.51907	0.6
260.14096	0.8
263.12537	3.0
265.13934	3.8
279.95169	0.6
281.13638	1.6
307.14957	1.1
323.14539	0.7
351.12924	1.9
393.14026	1.1
423.24203	1.9
427.19623	3.7
434.05545	0.8
439.15677	12.1
441.17352	17.9
457.16812	6.6
603.08679	6.4
603.22437	100.0
604.23102	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
61.02932	1.2
69.03406	1.5
70.06586	2.7
70.75017	2.4
72.08149	2.0
79.05499	1.0
81.07063	1.1
81.61182	0.8
84.08138	1.8
85.02895	0.9
86.09688	2.4
91.05473	2.5
93.07022	1.9
102.37762	0.7
105.06984	0.8
109.02849	0.9
109.10206	0.8
114.25327	0.8
119.04939	0.9
119.08583	1.6
121.10126	1.4
136.06183	4.1
137.02293	1.4
145.02823	2.4
147.04433	4.6
153.01808	1.6
160.80397	0.8
165.69717	0.8
177.05469	4.8
244.12973	1.0
263.12534	2.1
265.13879	4.1
277.16617	0.8
281.13559	2.2
301.09113	0.9
303.05017	0.9
351.12793	1.2
357.85779	0.8
374.97769	1.9
387.95392	1.2
391.98218	1.7
392.99167	1.0
393.14212	1.4
395.80237	0.8
423.24432	1.6
427.19318	4.6
439.15695	10.6
441.17337	15.2
457.16696	7.0
550.71704	0.8
603.22485	100.0
604.22455	4.0
612.11884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23200	0.2
55.01849	0.7
55.05474	0.5
57.03405	0.4
65.03928	1.5
67.05457	1.3
68.99786	3.5
69.03387	1.1
69.07025	0.5
70.06553	0.8
71.04957	0.7
71.58145	0.4
71.58498	0.3
79.05440	1.3
80.28840	0.3
81.03366	1.2
81.07003	1.2
83.04923	1.2
83.08568	0.4
84.04453	0.6
84.08093	0.4
85.02889	1.9
86.09657	0.4
88.34325	0.3
91.05467	1.8
92.02621	2.1
93.03413	2.0
93.07023	1.8
95.01281	0.9
95.04921	1.1
95.08545	0.8
97.02839	0.8
97.06514	0.3
97.10095	0.4
103.05413	0.7
105.03389	0.4
105.06984	1.2
107.04916	0.6
107.08595	0.5
109.02846	1.3
109.10119	0.6
110.03608	1.0
111.00749	0.9
111.04382	0.8
115.05405	1.0
117.06985	0.6
119.01265	0.7
119.04884	0.6
119.08555	1.4
121.02869	2.9
121.06434	0.8
121.10094	0.9
123.04396	0.5
126.03092	0.9
127.03848	0.9
129.05461	0.3
129.06915	0.6
131.04860	0.8
131.08459	0.4
133.02811	0.8
133.06464	0.7
135.04358	0.5
135.11656	0.4
136.06140	1.2
137.02333	10.0
137.03395	0.6
137.05890	0.4
143.04858	0.4
145.06406	0.8
145.10110	0.5
147.04407	1.7
147.11661	0.3
149.02299	0.7
149.05844	0.4
149.09540	0.5
150.03053	0.5
151.03897	0.4
153.01820	24.1
154.02466	0.3
155.04865	0.8
159.07965	0.3
159.11722	0.3
161.05960	1.4
161.09546	0.4
163.03888	1.1
163.07478	0.3
165.00702	0.3
165.01834	3.0
165.09119	0.3
166.02550	0.8
170.02097	0.3
171.03030	0.4
171.04324	1.7
172.05164	0.3
173.05952	1.1
175.03860	0.9
176.04620	0.4
177.01764	0.3
177.05464	1.5
179.03369	3.3
183.02849	0.8
183.04356	0.6
185.13232	0.3
187.03925	0.5
187.11076	0.3
189.05469	3.0
190.06122	0.3
191.03345	0.5
193.01263	1.0
195.02856	0.5
199.03905	1.1
200.04630	1.9
201.05453	3.1
203.03392	3.7
204.04228	0.5
205.04921	0.6
215.03281	0.4
217.04947	16.9
218.05588	1.0
219.03044	0.7
221.04337	0.4
223.04144	0.4
227.03392	3.4
228.04161	6.0
229.04959	9.9
231.02834	1.4
232.03590	0.5
239.03371	0.6
245.04445	18.2
246.05133	2.5
247.05914	0.7
255.02939	2.9
256.03641	1.1
257.04431	5.2
258.05057	0.6
259.02191	0.3
260.03271	0.4
269.04480	1.6
273.03922	74.9
274.04651	8.6
275.05411	0.7
284.03006	0.4
285.03934	8.0
286.04648	0.5
287.05444	0.4
301.03424	31.8
302.04190	52.1
303.04965	100.0
304.05280	2.0
313.03397	35.6
314.03699	1.0
331.05862	0.4
359.05511	0.6
377.06451	1.1
387.04929	0.7
405.06070	2.1
421.05402	0.7
433.05646	2.1
437.50494	0.3
451.06390	0.5
511.16040	0.6
529.06732	0.5
539.06714	0.5
557.07483	1.8
567.05865	0.6
585.06592	6.5
586.06915	0.3
602.42542	0.6
603.07715	17.2
603.29010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
60.04516	0.6
69.03419	1.1
69.61874	1.7
69.62303	1.9
70.06577	1.8
71.04985	0.6
72.08151	0.7
77.03893	0.5
78.04707	1.8
79.05481	3.5
81.03394	1.3
81.07024	0.6
84.08132	0.8
85.02883	2.2
86.09702	1.8
91.01183	0.5
91.05496	2.6
91.05970	0.5
93.07042	0.9
95.04971	1.5
97.02861	0.7
103.05468	3.6
105.07030	5.1
106.04139	1.2
107.04953	6.6
109.06494	0.9
111.04437	0.6
115.05433	1.4
117.06998	1.3
119.04940	1.4
119.08556	0.8
121.06480	1.8
123.04430	5.7
123.08041	0.6
123.81186	0.5
124.05206	2.8
125.05962	1.2
127.03934	0.7
129.06995	0.9
131.04936	7.1
131.08560	1.1
133.06505	5.0
135.04395	0.5
135.08066	1.2
136.06178	6.6
137.02354	1.4
137.05836	3.6
141.06970	1.2
144.05638	0.7
145.05078	0.5
145.06471	1.9
145.10080	0.8
147.04396	3.9
147.08058	0.5
149.06039	1.1
151.03978	1.2
151.07518	4.0
152.04652	1.8
153.01810	1.1
153.05476	0.6
158.07251	1.0
159.08058	1.3
161.05965	6.4
163.03876	1.3
163.07544	12.6
166.06187	0.8
167.07039	100.0
168.07368	1.3
169.06392	0.7
172.05048	0.5
173.05983	1.1
173.09596	1.2
175.07559	1.8
176.04604	0.5
177.09137	1.6
179.07054	3.1
181.08618	3.6
184.07292	0.9
187.07524	3.5
189.09117	0.8
192.07793	1.0
193.08597	15.4
201.09102	1.6
203.08585	0.7
205.08627	1.4
217.08568	0.9
219.10265	2.3
225.33897	0.6
231.08138	0.7
233.11604	3.0
237.11162	2.3
249.11269	1.4
250.11621	0.7
251.12718	1.8
262.09406	0.6
263.10855	0.6
274.71439	0.5
291.10190	0.6
295.13412	1.2
303.04968	0.5
323.12701	2.1
355.15424	12.7
387.18008	9.0
405.19089	19.3
440.23816	0.6
445.79410	0.5
476.42117	0.5
494.99966	0.5
507.09100	0.5
603.07733	6.2
603.29987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	4.5
53.03940	7.5
53.94234	3.7
55.05505	29.8
56.48888	3.2
57.03433	5.7
57.07084	25.8
59.04984	4.3
60.38677	3.2
67.05502	37.1
69.03426	13.1
69.07069	30.8
69.97791	15.1
71.08624	15.7
79.05496	47.4
81.03412	57.3
81.07051	55.7
83.04989	19.4
83.08619	16.9
85.06522	7.0
85.10169	5.1
87.04459	4.4
89.06012	4.0
91.05476	59.8
93.07038	85.7
95.01289	3.6
95.04958	28.7
95.08605	48.2
97.06542	11.1
97.10147	5.8
103.05444	6.9
105.07028	100.0
107.04943	7.7
107.08585	71.0
109.06512	16.3
109.10159	30.7
111.04460	4.2
111.08060	7.3
113.09682	5.0
115.05437	14.8
117.07027	27.4
119.04919	7.7
119.07789	7.8
119.08578	84.0
121.06499	16.4
121.10137	80.0
123.08043	12.4
123.11717	9.0
125.09624	12.5
128.06227	10.8
129.06990	20.4
130.07774	9.5
131.04913	6.8
131.08563	40.5
133.06503	10.7
133.10124	56.6
135.08058	17.0
135.11716	15.5
137.05972	6.8
137.09639	9.9
141.07004	8.4
142.07761	18.8
143.08578	37.6
144.09393	6.6
145.06497	5.5
145.10127	75.2
145.11261	5.1
147.08046	15.6
147.11670	23.7
149.09624	15.2
149.13251	5.0
151.07498	4.2
151.11186	5.3
153.06926	8.5
155.08556	13.8
155.10591	5.5
156.09326	17.9
157.10129	51.2
158.10909	4.8
159.04449	5.9
159.08051	14.3
159.11699	36.8
160.05186	14.3
161.05984	29.9
161.09657	19.4
161.13327	9.6
163.11212	8.2
165.07019	5.0
165.09128	12.9
166.07790	4.9
167.08635	8.2
167.10675	56.0
168.09384	5.9
169.10091	25.3
170.10890	8.9
171.11696	25.2
173.06010	21.7
173.09685	7.9
173.13298	22.7
175.11174	10.6
175.14848	14.7
179.08582	11.0
180.09406	4.0
181.10110	18.6
181.12173	4.4
182.10846	7.8
183.11668	26.0
185.09648	4.4
185.13268	16.5
187.07619	11.2
187.11249	6.7
187.14847	13.5
189.09105	8.4
189.12729	9.6
193.10126	12.5
193.98474	3.8
194.11006	10.0
195.11688	17.0
197.13217	22.5
199.14815	11.0
201.12718	5.7
201.16273	7.8
203.10594	9.3
203.14264	7.9
206.10898	7.3
207.11739	11.4
208.12437	4.7
209.13232	24.1
211.14792	15.4
213.16296	6.4
215.14311	5.3
220.12556	6.2
221.13225	14.8
221.15392	23.9
223.14832	12.9
225.16362	6.7
227.14182	4.8
233.13348	6.2
233.15369	22.9
235.14809	8.6
237.16409	4.9
243.13916	8.2
247.14882	8.2
249.16393	7.5
251.18024	4.7
261.16418	7.3
263.17950	4.4
269.18976	4.7
271.13159	29.5
277.19525	5.5
279.20889	5.0
281.18973	5.9
283.20242	5.2
285.18591	6.3
289.14380	10.3
293.18796	4.9
299.20065	6.5
313.27457	17.8
345.16904	11.6
361.86417	4.1
479.13263	4.1
583.41290	6.6
601.22949	20.2
601.41296	67.8
602.23218	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.05510	25.7
57.07073	11.8
65.03937	4.1
67.05508	33.7
69.03438	15.5
69.07065	25.9
71.50504	4.9
76.16866	2.2
77.03931	2.9
78.18656	2.4
79.05484	33.5
81.03437	2.6
81.07053	40.0
83.04987	18.5
83.08628	18.3
85.02908	3.5
85.06548	9.9
87.04475	4.0
89.06024	6.1
91.05476	55.1
93.07040	83.3
94.07355	4.4
95.04974	25.4
95.08605	41.1
97.06525	11.1
97.10151	5.2
103.05483	4.5
105.04510	3.2
105.07031	93.8
107.04981	4.3
107.08590	79.8
109.06505	17.7
109.10154	36.8
111.08086	7.4
113.09612	3.7
115.05461	7.3
116.06231	2.8
117.07012	19.7
119.08578	100.0
120.08945	3.0
121.06524	12.8
121.10143	88.3
123.08053	16.2
123.11716	8.7
123.75474	2.8
125.06051	3.9
125.09640	14.1
128.06224	15.6
129.07034	16.2
130.07793	8.4
131.08562	43.7
133.06409	2.8
133.08623	2.6
133.10130	55.3
135.08046	18.9
135.11694	20.4
137.09608	9.9
139.11182	5.6
141.07016	6.8
142.07802	20.4
143.08565	42.3
144.09317	7.4
145.06480	4.6
145.10117	69.3
146.10548	4.5
147.08055	13.8
147.11681	22.4
149.09583	21.9
149.13293	4.4
151.07463	4.2
151.11215	4.5
153.07013	5.6
154.07738	3.4
155.08557	21.3
155.10646	4.2
156.09361	15.8
157.10130	58.4
158.10843	5.7
159.08096	12.8
159.11693	42.1
161.09615	13.1
161.13280	8.0
163.11188	9.6
165.07132	4.6
165.09157	9.0
166.07770	4.0
167.08536	9.5
167.10672	60.4
168.09349	8.5
168.10936	4.3
169.10120	31.1
170.10855	9.8
171.11699	38.2
172.08807	3.4
172.12294	2.9
173.09612	7.4
173.13248	25.1
175.11166	12.5
175.14815	12.9
177.12746	3.2
179.08585	9.3
180.09320	5.3
180.73117	2.6
181.10124	15.4
181.12140	5.7
182.10840	10.9
183.11707	27.5
184.12401	4.8
185.09602	3.1
185.13229	16.8
186.13837	3.0
187.11243	4.5
187.14833	13.0
189.12784	5.6
191.14230	5.3
192.09311	3.7
193.10155	9.2
193.12048	2.6
194.10896	10.2
195.11697	26.3
196.12401	8.3
197.13271	19.6
198.13728	3.6
199.11130	3.1
199.14824	13.6
201.12686	5.6
201.16476	5.7
203.14375	5.4
206.10893	5.2
207.11728	17.5
207.13641	4.6
208.12485	8.3
209.13248	24.0
210.13815	4.7
210.65456	3.0
211.11342	3.6
211.14783	19.0
213.12686	3.0
213.16354	8.7
215.14368	8.1
217.10258	3.5
217.15866	5.7
218.10881	2.6
219.11679	4.7
220.12485	6.0
221.13266	12.8
221.15401	16.4
222.15871	2.9
223.14810	14.5
224.15358	3.9
225.12819	2.6
225.16399	8.0
227.14333	6.3
231.11726	3.2
231.17551	2.7
233.13257	6.2
233.15395	32.0
234.15952	4.7
235.14819	11.1
236.15463	3.2
237.16383	8.2
239.17957	3.5
241.16101	4.5
244.12549	3.1
245.13181	5.6
247.14821	8.4
248.15303	3.3
249.16393	8.7
250.02814	2.5
251.17969	7.8
255.17574	4.3
259.14767	3.5
261.16562	4.5
262.16873	2.5
263.17999	7.7
264.18588	2.8
265.19601	3.1
269.19003	9.1
271.20572	3.1
273.18591	5.4
275.17789	5.7
281.18985	3.8
283.20621	4.4
285.18652	5.0
289.19437	3.2
293.19022	3.8
295.20557	3.6
299.20117	4.6
335.23734	3.8
345.17108	3.1
347.23843	4.3
373.24911	2.6
491.35223	3.8
560.91968	2.9
565.40161	2.9
583.41266	5.1
601.41772	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	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.05286	3.2
55.05514	25.0
57.07068	10.9
58.48275	2.4
59.04995	3.3
59.56972	2.4
65.03930	8.3
67.05502	32.5
69.03436	13.4
69.07070	26.6
69.29781	21.4
69.30208	9.3
71.04978	2.8
79.05491	32.1
81.03413	3.9
81.07058	52.3
83.04981	24.1
83.08606	15.0
85.06541	6.0
87.04471	4.1
89.06046	3.0
91.05480	56.8
91.06009	3.6
93.07043	79.9
95.04969	24.6
95.08610	46.9
97.06525	17.1
97.55482	2.7
103.05475	6.1
105.07027	100.0
107.04923	2.7
107.08591	79.6
109.06532	12.0
109.10157	42.0
111.08109	6.4
113.09633	4.9
115.05466	7.8
116.06252	3.9
117.07010	21.3
119.05839	2.5
119.08582	96.9
120.08891	2.8
121.06471	13.3
121.10143	87.1
123.08047	14.7
123.11693	6.9
125.09619	13.7
128.06242	11.9
129.07027	22.1
130.07790	7.6
131.08580	46.1
132.09378	3.1
133.06532	4.6
133.10135	58.2
135.08052	19.1
135.11676	22.3
137.09642	10.4
139.11163	6.9
141.07050	8.4
142.07782	21.7
143.08575	42.5
144.09308	9.3
145.06528	5.7
145.10117	82.7
146.07295	2.9
147.08060	13.1
147.11693	26.8
149.09595	19.2
149.13297	5.1
151.07518	5.1
151.11179	5.5
153.07033	4.4
155.08553	21.4
155.10599	5.6
156.09297	16.7
157.10130	57.6
158.10880	8.4
159.08063	15.8
159.11681	45.9
161.09601	16.7
161.13254	8.5
163.11195	10.3
165.07007	3.2
165.09123	9.2
166.07669	4.3
167.08527	10.6
167.10678	68.1
168.09338	6.4
169.10124	33.2
170.10890	10.6
171.00664	2.5
171.11691	36.6
172.12138	3.7
173.09547	7.1
173.13293	29.8
175.11201	11.1
175.14807	17.7
177.12721	3.5
179.08565	11.3
180.09344	9.6
181.10139	15.3
181.12260	4.9
182.10878	10.9
182.12390	2.6
183.08078	3.0
183.11697	23.1
184.12505	4.0
185.09610	6.0
185.13274	21.1
187.11118	3.9
187.14838	16.1
189.12737	7.4
191.14313	6.5
193.10132	10.5
194.10818	8.5
195.11667	25.3
196.12405	7.9
197.13187	22.0
199.11157	6.4
199.14798	13.1
201.12781	6.2
201.16420	5.0
203.14272	7.9
205.10126	5.8
205.15887	3.4
206.10852	3.7
207.11685	18.3
207.13628	4.8
208.12422	4.9
209.13237	20.3
209.15068	2.9
210.13947	4.1
211.11189	4.4
211.14836	12.1
212.15656	3.6
213.12773	4.9
213.16431	5.2
215.14339	9.1
217.15907	3.8
219.11684	5.1
220.12503	4.5
221.13223	15.5
221.15395	18.8
222.14006	3.9
223.14793	17.3
225.12729	4.3
225.16412	9.2
227.14249	5.1
227.17995	4.1
231.11722	6.4
233.13255	6.3
233.15331	32.2
234.13937	5.0
235.14798	10.4
236.15677	3.5
237.16353	11.7
239.14337	3.4
239.17943	4.9
241.15665	3.1
245.13290	4.0
247.14812	7.7
249.16432	6.7
251.17938	6.6
253.15892	3.2
257.67352	3.0
259.14902	3.7
261.16388	5.5
263.17917	5.2
265.19568	3.9
269.19049	7.1
275.17944	4.9
277.19418	3.6
279.17694	3.1
281.19043	6.6
283.20648	4.7
285.18536	6.6
287.20227	4.8
289.19525	4.0
295.20685	5.0
299.20224	4.2
331.20596	3.4
349.25333	3.3
361.25089	2.8
532.99658	3.8
565.39929	3.6
583.41107	8.0
601.43384	13.0
629.56250	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.05506	23.1
57.03436	3.1
57.07068	12.1
59.04999	3.7
63.12085	2.8
65.03932	3.9
66.24064	2.6
67.05177	4.2
67.05501	48.2
69.03418	14.6
69.07063	24.2
71.04961	3.4
77.03894	3.0
79.05492	37.9
80.65905	3.4
81.03406	7.0
81.07053	51.2
83.04984	22.1
83.08615	18.4
85.02879	3.4
85.06542	7.8
87.04465	3.3
91.05475	55.5
93.06475	6.3
93.07037	94.6
95.01308	3.6
95.04967	29.9
95.08601	42.2
97.06532	16.0
97.10153	3.1
103.05476	10.8
105.04558	3.1
105.07027	100.0
106.07332	3.9
107.04944	3.4
107.08584	78.1
109.06516	23.5
109.10156	33.7
111.08045	5.9
113.05980	3.5
115.03856	2.8
115.05392	6.2
116.06190	4.6
117.07027	19.6
119.08575	82.0
120.08894	5.0
121.06513	14.0
121.10142	91.8
123.08068	14.5
123.11678	7.8
125.05940	3.6
125.09630	11.3
128.06186	13.8
129.07013	16.3
130.07770	12.1
131.08562	48.3
133.06470	6.3
133.10117	67.0
135.08032	22.0
135.11687	18.0
137.05914	4.8
137.09604	9.9
139.11177	5.8
141.06961	9.8
142.07788	21.8
143.08560	42.0
144.09306	12.3
145.06468	5.0
145.09036	5.7
145.10115	71.4
146.10524	4.9
147.08069	20.1
147.11693	22.9
149.09622	23.3
149.13287	5.3
151.07536	9.5
151.86485	3.1
153.07021	5.7
155.08582	20.8
155.10664	6.8
156.09360	21.2
157.10115	61.1
158.10770	9.1
159.08083	11.0
159.11662	36.2
161.09612	15.6
161.13246	9.3
162.02934	2.8
163.11182	14.9
165.07008	6.7
165.09087	17.0
166.09393	2.8
167.08485	8.6
167.10677	39.8
168.09320	8.6
169.10110	27.8
170.10843	10.2
171.11673	32.5
173.09615	8.2
173.13252	27.9
175.11191	13.8
175.14836	18.4
177.12721	5.2
179.08521	10.7
180.09344	8.0
181.10172	15.7
181.12187	10.1
182.10913	5.1
183.11679	24.2
185.13202	20.4
187.11177	9.0
187.14767	9.3
189.12723	6.0
191.10744	3.1
191.14294	7.1
192.09381	5.8
193.10104	15.3
194.10841	10.2
195.11734	20.3
196.12418	5.3
197.13239	33.7
198.13789	3.5
199.11137	3.2
199.14760	14.8
200.36581	2.7
201.12755	6.0
201.16379	5.2
203.14229	14.6
205.10194	4.1
206.10863	5.6
207.11720	16.4
207.13753	6.0
208.12474	5.6
209.13269	26.7
209.15157	4.1
210.13904	4.6
211.11119	5.2
211.14754	18.0
213.12714	4.7
213.16304	4.8
215.14360	6.7
217.15831	5.5
218.10776	3.3
219.11627	6.5
219.13718	3.7
220.12479	6.6
221.13235	14.0
221.15366	40.8
223.14777	19.3
225.16414	8.0
227.14276	5.9
231.11754	3.4
233.13213	6.8
233.15356	21.3
234.15939	6.0
235.14845	10.5
237.16388	8.4
239.14058	3.8
239.17915	4.8
245.13193	4.5
246.14040	4.7
247.14647	7.2
249.16499	6.0
250.17091	3.1
251.14363	3.1
251.17786	7.9
253.15845	4.4
255.17368	5.9
258.13879	3.1
259.14728	3.8
261.16263	4.6
263.17987	6.4
265.19452	7.6
269.19083	8.8
271.20813	3.3
273.15973	4.1
273.18509	7.7
275.17603	3.7
279.20782	3.7
281.18921	10.1
283.20435	5.0
286.19421	3.5
287.78314	2.8
291.19772	5.5
295.20447	6.3
298.19019	4.3
301.21634	3.3
315.12552	3.2
329.22562	2.9
333.13254	10.2
349.25385	4.5
352.23999	3.8
353.24219	8.3
503.34799	4.3
521.35876	6.7
565.40631	6.0
583.41235	9.7
601.21210	3.5
601.42908	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.05509	22.3
57.07059	6.2
57.12795	2.6
57.17757	2.9
59.04996	4.2
65.03915	5.8
67.05507	37.5
69.03414	17.4
69.07069	25.6
70.01067	6.8
70.01482	10.7
71.04987	4.7
79.05059	3.9
79.05486	34.7
81.07053	48.5
83.04967	19.7
83.08611	17.7
85.06534	4.1
87.04469	3.6
88.52329	3.3
91.05474	62.5
93.06474	5.7
93.07038	85.5
95.04959	23.3
95.08595	36.8
97.06544	15.5
98.20848	3.8
103.05457	8.3
105.07024	95.0
107.07867	4.9
107.08585	86.5
109.06519	22.2
109.10146	41.3
111.08092	6.7
113.09645	6.6
115.05428	6.3
117.07028	20.8
119.08572	100.0
119.27261	3.1
121.06499	9.9
121.10139	96.1
123.08039	13.6
123.11715	12.0
125.09619	12.7
126.39099	2.7
128.06245	14.7
129.06996	23.2
130.07745	10.1
131.08560	47.1
133.10132	74.3
135.08046	15.8
135.11664	24.1
137.09595	11.2
139.11176	6.8
141.06979	11.8
142.07773	27.5
143.08557	44.2
144.09294	13.8
145.09041	6.4
145.10121	86.3
147.08023	13.8
147.11662	29.9
149.09633	21.9
149.13260	4.2
151.07503	5.2
151.11160	4.8
155.08562	19.3
155.10658	8.1
156.09358	21.0
157.10135	53.9
158.10770	10.7
159.08066	18.5
159.11690	45.5
161.09596	15.7
161.13252	8.7
163.11176	9.2
165.06985	6.2
165.09109	11.5
167.08511	13.6
167.10660	79.0
168.09326	5.8
169.10127	27.0
170.10893	11.7
171.11684	36.7
172.08842	3.3
172.12486	4.4
173.09607	8.0
173.13248	23.7
175.11208	11.3
175.14772	17.9
177.12717	2.9
179.08543	10.8
181.10097	23.4
181.12395	4.0
182.10831	13.3
183.11703	25.3
184.12337	2.8
185.09557	3.7
185.13251	22.3
187.11214	6.4
187.14818	14.6
189.12686	9.3
191.14291	4.9
192.09270	4.4
193.10114	19.0
193.11586	3.2
194.10909	10.1
195.11649	26.2
196.12437	8.7
197.13210	25.9
199.14767	12.1
201.12730	6.8
201.16373	8.7
203.14296	7.4
206.10866	8.2
207.11768	18.9
207.13411	3.7
208.12390	4.7
209.13255	30.6
211.11063	4.0
211.14801	15.8
213.12704	4.9
213.16351	6.5
217.10152	4.4
217.15886	4.9
220.12468	5.9
221.13214	13.3
221.15390	13.1
222.13937	6.9
223.14708	17.5
225.16399	10.6
227.14253	7.2
233.13210	7.9
233.15356	37.1
233.17268	4.5
234.13899	4.7
235.14755	11.6
235.16933	4.7
236.15573	4.2
237.16385	7.6
239.14400	3.9
239.17955	3.9
246.14124	4.7
247.14799	7.0
249.16347	8.9
250.17392	3.1
251.18021	5.8
255.17336	6.2
258.13931	3.6
261.16241	6.0
263.17975	4.2
265.19479	7.1
269.19031	7.2
275.17853	5.2
277.19662	3.2
281.18945	5.9
283.20602	5.0
285.18475	3.4
289.19559	5.8
301.21588	3.7
349.25317	3.7
359.23566	3.4
361.40659	3.2
578.85211	3.4
583.40613	5.9
601.41968	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	601.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	8.4
67.05518	12.4
69.26621	100.0
71.05387	7.1
79.05477	13.7
86.71598	8.5
87.65263	8.7
91.05507	11.2
93.07030	12.2
95.08632	8.7
105.07028	16.7
107.08581	19.7
111.31387	7.6
119.08547	13.0
121.10139	13.6
129.06989	9.7
131.08580	9.7
145.10114	17.1
147.08051	10.0
150.68768	9.2
159.11713	10.8
165.09180	14.9
169.10188	8.3
171.11684	9.1
173.21846	7.9
221.15382	36.9
452.48920	9.6
550.81293	9.1
601.43732	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73323	6.9
55.05500	7.8
67.05473	11.4
70.83001	6.6
70.83340	16.7
79.05523	7.1
81.07041	14.5
83.08615	7.5
93.07035	17.1
95.08588	18.7
105.07031	21.3
107.08601	18.0
109.06521	9.6
117.07029	6.0
119.08576	15.8
121.06506	7.0
121.10142	13.2
129.07043	8.5
133.10106	20.2
135.08055	11.0
135.11649	7.5
143.08571	9.3
145.10077	18.7
147.08031	16.6
147.11659	9.2
156.09459	6.7
157.10144	15.8
159.11690	14.0
161.13278	10.2
165.09125	35.2
171.11674	6.6
175.14891	7.8
181.12315	9.1
183.11470	6.9
185.13306	6.9
195.11758	8.3
203.14368	16.1
209.13063	7.2
221.15378	100.0
222.15701	10.5
261.20969	6.0
262.85040	6.1
299.68094	7.1
391.10870	7.7
408.80814	8.3
491.35260	8.9
521.35913	8.6
583.41052	10.3
601.41907	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	601.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
60.04520	2.2
60.05648	0.9
61.02922	0.5
61.40595	0.4
69.03421	1.7
70.06588	1.0
70.73728	0.9
72.08158	6.4
77.63721	0.4
80.42166	0.3
81.03419	0.6
84.04489	0.6
84.05596	0.6
84.46257	0.3
85.02901	3.8
85.04007	1.1
86.09684	0.5
89.10802	0.6
91.05489	4.4
94.42542	0.3
96.04445	0.7
97.02890	3.4
97.07631	1.3
98.06057	0.7
99.04410	0.4
114.10293	19.1
115.03938	0.9
115.08678	2.3
119.04941	13.7
120.08147	0.6
127.03918	1.7
131.12949	1.7
138.10249	0.5
139.08633	0.6
144.06570	2.6
145.04919	0.7
147.04411	100.0
148.04744	0.6
155.12900	0.8
156.11368	1.9
162.07626	1.7
197.14075	0.7
217.13327	6.2
218.11772	5.0
235.14368	0.5
236.93143	0.4
257.16324	0.6
260.13962	8.5
277.16623	3.8
301.16663	0.7
302.15128	0.5
308.94147	0.4
343.17526	0.4
344.72351	0.4
397.19974	1.5
439.21933	7.9
440.37100	0.4
463.21768	0.5
481.23044	1.4
506.21475	0.6
544.69177	0.5
565.25189	0.5
583.25781	0.5
601.27161	68.5
602.27307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53583	0.6
55.01873	0.7
56.96542	0.8
57.03418	1.5
60.04523	5.0
60.05629	1.1
61.02904	1.6
63.34723	0.5
67.21902	0.5
69.03433	5.7
69.69865	0.5
69.84588	3.5
70.06570	0.6
72.08158	9.0
73.02908	1.1
73.33406	0.6
79.17841	0.6
81.03405	1.8
84.04498	1.2
84.05630	0.6
85.02902	14.2
85.04028	0.8
87.04442	1.1
89.10780	1.7
91.05470	2.9
96.04483	1.0
97.02894	7.3
97.07632	1.1
98.06025	1.1
98.97593	1.8
99.04431	0.6
107.92213	0.6
109.02868	2.0
114.10288	20.8
115.03894	0.9
115.08668	4.4
116.98592	1.5
119.04935	9.3
126.05466	0.9
127.03935	4.5
128.98595	0.6
131.12918	1.7
138.05496	0.5
138.10234	0.7
139.08646	0.9
144.06534	2.2
145.02844	2.2
145.04965	2.4
147.04407	80.5
148.04749	0.6
155.12909	1.2
156.11316	2.5
157.10858	0.7
162.07666	3.0
163.03998	1.5
163.05975	0.9
177.00601	0.6
177.05505	5.0
180.08708	0.8
197.14020	0.6
201.00647	0.9
212.38084	0.5
217.13394	5.9
218.11766	5.5
219.01787	0.9
233.03354	0.7
235.14407	1.8
237.02736	0.8
260.13980	7.6
261.02789	1.1
277.16595	12.3
279.03833	0.6
301.16592	0.9
307.17715	0.7
311.60565	0.6
319.17734	1.6
342.13654	0.8
439.21884	3.6
484.21103	0.8
601.27161	100.0
602.27472	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37220	0.5
53.03933	0.6
57.03418	2.2
60.04526	6.6
60.05621	1.7
61.02911	1.6
69.03423	7.6
69.64936	2.9
69.65356	1.4
70.06570	1.4
71.04970	0.6
72.08150	9.6
73.02912	0.9
81.03391	2.2
84.04475	1.3
84.05637	0.7
85.02904	19.7
87.04436	0.7
89.10770	1.7
91.03909	0.7
91.05479	2.5
96.04493	0.9
97.02893	9.4
97.07639	1.7
98.06032	0.9
99.04472	1.2
103.03928	0.6
109.02875	2.1
114.10287	20.7
115.03922	0.6
115.08700	3.4
118.61053	0.5
119.04931	8.8
123.22704	0.5
127.03941	4.1
131.12909	2.1
144.06564	2.6
145.02875	1.2
145.04947	3.8
147.04405	85.1
148.04691	0.6
149.54915	0.5
154.07300	0.6
155.12929	1.7
156.11337	3.4
162.07600	2.3
163.06078	0.8
165.71700	0.6
177.05522	1.7
217.13388	5.8
218.11760	6.0
235.14433	2.3
249.07846	0.5
260.13937	6.4
277.16583	15.0
301.16638	1.5
319.17551	2.7
342.14059	0.7
439.21759	3.3
481.22815	1.6
532.00916	0.7
601.27130	100.0
602.27368	2.8
623.65643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.05512	0.8
61.02924	0.7
65.03926	1.0
67.05490	1.0
68.98927	0.6
69.03419	0.8
69.92625	0.6
70.03506	2.5
70.06586	2.4
71.04974	0.6
72.08150	1.4
73.02928	1.2
78.04694	1.7
79.05487	1.7
81.03403	0.6
81.07050	1.7
83.04987	0.7
84.04485	0.9
84.08154	1.2
85.02893	1.6
86.09702	2.5
91.05476	1.9
93.07040	2.4
95.04965	1.4
95.08616	1.1
96.59814	0.6
97.02901	1.1
98.21413	0.8
103.05458	0.7
105.07025	2.2
106.04150	1.0
107.04940	0.8
109.02920	0.8
109.06509	0.8
111.04443	0.9
115.05445	0.8
119.08572	1.6
121.06505	0.8
123.04440	5.3
124.05211	2.0
127.03937	0.8
129.07008	1.5
131.04938	1.0
131.08585	1.7
133.06467	0.8
136.06183	0.6
137.02386	1.2
137.05956	1.8
145.06517	0.7
147.04430	0.7
147.11751	0.6
149.05931	0.6
149.09592	0.7
151.03954	1.4
152.04630	0.9
153.01837	0.7
157.06525	1.2
159.08044	1.3
161.06033	0.8
167.07048	100.0
168.07365	2.5
174.06784	2.7
175.07581	1.3
177.05467	1.2
181.05002	0.7
182.72144	0.8
186.06715	0.9
189.09111	3.2
193.08545	3.6
201.09119	1.5
211.09633	3.3
219.10165	16.2
334.40665	0.6
601.27814	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
55.05504	1.1
56.05019	0.6
57.03435	0.6
61.02916	0.7
65.03955	0.6
67.05515	0.6
69.03410	0.7
69.07061	0.6
69.93579	3.0
70.06576	3.0
72.08156	1.2
73.02891	0.6
78.04703	2.0
79.05471	1.9
81.03426	0.8
81.07050	1.3
84.04501	0.9
84.08133	1.1
85.02908	2.1
86.09705	2.6
91.05471	3.0
93.07029	1.8
95.04970	1.8
95.08598	0.8
97.02888	1.0
98.20760	0.9
103.05448	0.8
105.07026	2.2
106.04108	0.6
107.04920	1.4
107.08567	0.9
109.02879	0.6
109.10107	0.7
110.07104	0.6
111.04411	0.6
115.05453	0.9
117.07014	0.7
119.04949	1.1
119.08544	1.3
120.04442	0.5
120.08121	0.9
121.06519	0.9
121.10139	1.0
123.04427	4.7
124.05228	2.3
128.06285	0.7
129.06956	1.7
129.10234	0.8
131.04878	0.7
131.08551	1.8
133.06450	1.2
133.10138	1.1
135.08087	0.6
137.02393	1.2
137.05992	1.8
141.06956	1.4
145.06477	0.8
147.04388	1.6
149.05981	1.4
151.03860	1.1
152.04678	1.6
153.01906	0.5
155.86400	0.5
157.06491	0.8
159.08046	0.7
161.05945	1.2
165.07178	0.5
167.07036	100.0
168.07372	1.8
169.06480	0.6
173.09819	0.6
174.06770	2.6
175.07588	1.4
177.05479	1.6
179.07060	0.9
181.04938	0.7
181.08621	0.9
187.07530	1.1
189.09146	4.1
193.08617	4.0
201.09071	1.4
211.09599	3.1
218.02899	0.5
219.10167	15.2
277.95804	0.5
518.69183	0.6
601.28320	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	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	12.2
56.06689	4.3
57.07062	13.9
59.04983	4.3
59.05316	3.9
66.64993	4.0
66.90256	4.1
67.05502	14.0
69.03419	13.6
69.07017	7.6
69.93483	10.5
69.93892	16.2
78.03338	4.5
79.05489	15.8
79.78930	4.5
81.07051	21.0
83.04970	7.0
83.08587	7.7
85.06546	10.4
89.06008	6.9
91.05480	31.0
93.07047	31.9
95.04969	11.0
95.08586	19.2
101.05055	4.6
105.07014	58.6
107.08579	22.9
109.06528	14.4
109.10164	7.9
117.07010	15.0
119.08579	61.9
121.06470	11.3
121.10150	22.4
123.08057	20.5
125.06001	12.5
129.06982	11.9
131.08560	21.7
133.06519	9.0
133.10112	27.5
135.08076	23.9
135.11668	5.6
137.09608	18.9
141.07033	4.7
142.07777	12.9
143.08556	26.5
144.09361	6.1
145.10127	35.4
147.08046	33.5
147.11664	7.4
149.09604	17.0
151.07552	10.5
155.08559	12.3
156.09286	12.1
157.10141	37.6
159.07990	5.3
159.11665	24.7
161.09604	14.6
161.13269	8.5
163.11194	18.6
165.09114	58.4
169.10118	21.1
170.10876	5.6
171.11638	22.9
173.09587	8.1
173.13261	14.3
175.11157	27.8
181.10072	6.3
181.12254	19.0
182.10954	5.8
183.11673	20.4
185.09448	4.7
185.13260	13.4
187.14809	5.0
189.12750	9.5
190.13528	10.2
191.10686	10.5
193.09976	4.4
193.12241	16.3
195.11688	11.3
197.13234	14.9
199.11133	5.9
201.12828	7.2
203.14293	26.1
207.11737	10.5
207.13739	9.3
208.14586	10.8
209.13251	9.4
211.14828	5.3
213.12677	6.9
214.13576	5.4
215.14268	4.7
216.15121	5.8
219.13750	9.7
221.13388	4.8
221.15353	100.0
222.15733	9.5
233.15584	5.3
234.16124	17.7
237.12764	5.9
247.16954	23.1
274.19147	12.3
287.19946	10.9
298.19421	6.2
299.19998	13.0
302.68845	5.1
311.20093	4.9
312.20755	9.2
313.21805	5.7
325.21555	16.5
339.23358	7.3
340.23901	19.6
352.24017	25.8
365.24496	6.8
366.25565	5.3
387.25613	7.6
426.27246	5.3
427.28278	10.9
440.29282	40.7
454.30609	5.6
520.35516	28.3
585.39807	6.0
600.41864	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94289	2.5
55.05496	7.2
57.07065	9.5
59.04985	5.2
67.05495	12.2
67.18197	2.6
69.03424	8.7
69.07054	6.6
71.58078	5.2
71.58449	4.5
79.05481	11.5
81.07057	25.2
83.04976	9.4
85.06560	4.0
85.90807	3.2
87.06761	2.6
88.05019	2.8
89.06058	3.6
91.05475	26.7
93.07043	32.8
95.04959	11.4
95.08598	18.9
97.06543	4.7
105.07035	52.9
107.08591	26.3
109.06526	12.5
109.10143	9.1
109.26424	3.1
115.05473	3.5
117.07038	15.8
119.07791	5.3
119.08580	48.3
121.06518	8.3
121.10138	20.9
122.10529	3.0
122.62243	2.7
123.08081	15.4
123.11687	3.7
125.05956	7.9
128.06206	4.9
129.06982	8.3
131.08577	21.8
132.09291	3.1
133.06487	5.6
133.10107	23.4
135.08066	19.6
135.11668	6.4
137.05931	3.4
137.09608	21.0
141.07004	4.4
142.07791	12.0
143.08575	26.3
144.09303	5.9
145.10132	41.5
147.08055	25.3
147.11685	7.2
149.09621	9.9
151.07538	9.0
154.07768	3.9
155.08531	14.2
156.09314	10.7
157.10133	37.5
158.10806	4.0
159.08029	5.9
159.11681	23.6
161.09628	13.0
161.13214	5.7
163.11197	17.7
165.09128	55.2
166.09433	6.7
167.08591	5.3
168.09320	4.1
169.10085	15.8
170.10867	5.5
171.11678	16.1
172.12439	5.7
173.09648	7.1
173.13278	8.1
175.11189	21.1
177.09132	3.3
180.09335	4.5
180.11389	3.9
181.10165	7.0
181.12239	14.6
182.10881	5.9
183.11665	15.8
184.12283	4.6
185.09642	4.1
185.13292	10.1
187.11214	5.2
187.14735	3.4
189.12781	6.6
190.13489	9.8
191.10640	6.2
193.10223	4.7
193.12296	15.5
194.10956	3.8
195.11653	11.4
195.13521	3.5
197.09570	3.3
197.13278	12.6
199.11218	7.0
199.14821	4.6
201.12723	6.6
203.14383	20.7
207.11786	6.0
207.13788	11.0
208.12456	4.5
208.14452	6.6
209.13280	10.2
211.11137	3.5
211.14864	7.2
215.14215	3.8
219.13835	6.1
221.13234	7.4
221.15347	100.0
222.15720	10.9
234.16141	22.2
235.14861	3.9
236.15669	4.8
237.16333	3.7
239.14368	3.4
241.15750	4.5
247.16924	27.5
248.17429	4.2
259.16956	6.0
261.16187	3.9
269.15909	3.7
274.19315	13.1
287.19986	11.1
297.18365	3.7
298.31296	3.0
299.20132	16.2
300.20700	4.8
311.20166	5.2
313.21506	4.3
317.90222	3.3
325.21619	13.1
330.31613	3.4
337.21655	4.2
340.23965	17.1
352.23956	27.6
365.24518	7.6
366.24911	5.2
379.26364	4.5
387.25278	5.0
391.26083	7.1
392.26810	4.1
413.26987	6.0
419.29431	11.7
420.30228	5.1
425.26721	5.6
427.28391	10.7
428.28586	3.7
440.29132	34.7
442.30634	3.8
507.34094	4.6
508.35257	10.2
520.35443	31.9
585.39301	3.9
600.41473	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	600.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01873	2.1
55.05513	4.5
56.05029	0.9
56.39464	0.7
57.03424	2.9
58.99591	1.3
60.92936	0.7
61.02931	0.9
67.05504	10.1
67.15845	0.7
69.03422	4.5
69.07068	4.5
70.31419	1.4
70.31789	3.0
71.04998	1.1
73.01099	0.9
73.02914	6.7
74.00671	2.6
76.02228	3.5
76.52149	0.8
79.05490	8.7
80.05016	2.4
80.50998	0.7
81.03438	1.3
81.07056	24.1
83.04968	1.6
83.06108	1.8
83.08620	2.9
84.04504	10.2
85.01118	0.9
85.02908	3.4
85.06546	1.0
86.00667	1.4
91.05472	7.9
93.05717	0.7
93.07036	8.1
94.06560	1.1
95.04989	3.1
95.08600	9.9
97.01116	1.4
97.02872	6.3
97.06518	1.1
99.01415	3.9
100.02212	7.1
102.07062	0.9
105.07031	7.8
107.04935	1.7
107.08602	4.2
108.03034	0.7
108.08102	1.2
109.06516	3.4
109.10160	3.2
111.02635	1.3
111.08070	1.4
112.02185	8.4
113.00551	1.0
113.02945	1.7
114.03754	7.5
115.03938	3.6
116.01671	2.3
117.07001	1.7
119.08586	5.6
120.08101	1.3
121.06496	1.1
121.10138	3.3
123.08046	2.3
123.11707	2.2
124.99959	0.7
125.04166	1.1
126.03746	2.9
126.05500	4.8
129.06667	1.3
130.05002	1.8
131.08577	4.3
133.04945	1.0
133.10126	3.3
134.09596	1.0
135.08075	1.5
135.11710	1.3
137.04185	1.3
138.03784	3.8
138.05507	3.3
139.05795	1.3
140.05289	8.3
143.08630	0.8
145.10121	2.9
147.11604	3.8
149.09627	1.9
149.13278	2.3
152.05292	2.3
154.06813	1.1
157.10135	1.2
159.11688	2.3
161.13191	1.0
163.11203	1.9
165.12689	1.2
166.06871	1.3
167.07645	1.2
168.08412	17.7
171.11719	1.2
173.13297	2.1
179.04845	1.7
181.06123	1.6
185.03833	2.7
185.13216	0.8
191.14301	1.8
202.04115	1.5
204.08661	6.6
209.15422	3.2
211.05991	1.5
216.05711	2.1
218.15279	1.0
231.04355	3.0
233.05859	1.1
236.14563	1.5
240.05019	3.7
241.06496	1.0
252.05061	2.1
255.08034	3.4
258.06238	2.0
264.14191	7.8
265.15015	1.3
269.09515	1.9
270.05981	1.0
270.10342	7.7
271.11139	1.2
275.20053	8.1
281.14438	2.0
282.15201	34.8
293.20978	1.6
300.07257	1.6
308.09198	1.6
318.08325	1.6
323.16187	1.0
333.18903	3.0
336.09283	6.3
336.12924	1.4
350.21530	11.3
351.20151	2.3
368.22540	11.5
378.21045	1.2
384.17172	18.4
385.17987	4.4
416.38309	0.8
453.24179	100.0
454.24417	2.6
459.09662	0.8
479.25555	1.8
525.26434	6.5
600.29352	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	600.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20904	0.7
53.03950	0.5
55.01875	2.2
55.05509	4.5
56.05028	1.4
57.03446	3.0
57.98818	0.9
58.99584	17.3
61.02919	0.8
67.05508	9.9
69.03423	4.9
69.07068	5.7
70.06596	1.2
70.30545	0.5
70.30880	2.4
71.04985	1.2
73.01142	0.7
73.02911	4.9
76.02226	79.1
76.03986	3.4
79.05496	7.9
80.05019	0.7
81.03426	1.6
81.07057	14.0
83.01340	0.6
83.04967	3.4
83.06106	2.5
83.08615	2.9
84.04501	21.0
85.02911	2.8
85.06509	0.6
86.09708	1.5
86.99052	4.3
88.02200	1.2
91.05479	8.3
93.07047	10.1
94.06541	0.7
95.04955	2.9
95.08604	9.9
96.04478	0.8
97.01070	0.7
97.02893	5.3
97.06531	2.7
97.10171	2.1
99.05564	0.7
105.07018	9.9
107.04943	3.2
107.08599	7.4
109.06502	4.3
109.10151	4.4
110.02394	1.0
114.03763	1.2
115.03908	2.8
115.05441	0.6
116.01678	24.2
117.06995	4.1
119.08579	8.2
121.06509	4.3
121.10160	4.9
122.02347	0.7
123.08064	1.6
123.11694	1.6
124.02245	0.6
124.03927	0.7
125.09642	0.9
126.05534	3.4
127.03867	0.6
129.06630	2.5
130.03467	0.6
130.04977	5.9
131.08574	7.2
133.06480	2.1
133.10124	7.9
135.08054	1.9
135.11656	3.3
137.09612	1.1
138.05504	2.1
141.06982	1.1
142.03227	8.8
143.08562	1.7
144.00105	1.1
144.01132	12.6
144.06558	0.7
145.06197	0.8
145.10133	6.1
147.08060	2.5
147.11697	4.4
149.09627	2.7
149.13216	1.2
151.11151	1.4
155.08565	0.7
157.10146	2.0
159.08037	1.4
159.11728	3.3
161.09573	2.1
161.13269	1.7
162.02202	42.1
163.11176	2.5
169.10173	1.0
170.02705	3.5
171.11671	2.1
173.09627	1.3
173.13309	2.7
175.11200	1.0
177.12813	0.7
179.04852	100.0
180.05092	0.5
183.11722	1.3
187.05379	3.0
187.11188	0.8
188.03816	0.7
189.12723	1.2
191.14293	0.9
197.13191	0.9
201.12721	1.1
203.14247	0.7
204.08621	3.0
207.13791	3.2
211.06049	1.1
211.15233	0.6
215.04803	2.1
215.18013	0.8
219.13763	1.4
227.05077	0.7
233.05917	15.5
239.17863	0.9
240.04945	3.5
245.06000	3.3
252.05042	1.2
257.19073	3.5
258.06110	0.8
270.06091	1.5
273.18500	3.8
275.20047	36.1
290.08267	0.8
291.06323	3.0
291.19598	3.1
293.21112	21.9
300.07245	0.8
308.09109	23.7
318.08237	0.9
333.18808	1.0
336.09149	5.5
336.12769	1.4
337.09406	0.6
339.06165	0.7
350.21423	0.9
351.19849	0.8
368.22461	6.3
369.22760	0.7
404.71051	0.6
453.24210	4.7
471.25214	1.3
525.26459	4.0
582.28052	1.2
600.29443	6.2
601.30957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2876
Annotation	Obyanamide
Peak:m/z	Relative Intensity
55.05500	0.6
57.03437	0.5
61.02642	0.4
61.02928	4.4
67.05497	0.9
69.03442	1.7
69.07055	0.4
70.06581	1.1
71.04987	0.4
71.57805	0.5
72.08121	0.5
73.02917	1.3
79.05479	1.3
81.03414	8.8
81.07059	1.1
83.04977	0.7
83.08624	2.0
84.04481	0.3
84.08139	0.4
85.02908	3.4
86.09692	0.9
91.03960	1.6
91.05457	1.5
93.07035	0.9
95.04968	2.9
95.08604	0.5
97.02891	2.6
98.11120	0.2
99.04436	0.4
101.02364	0.5
105.07033	0.8
107.04935	0.8
107.08596	0.4
111.04409	0.4
111.08087	0.5
119.03545	0.6
119.04865	0.4
119.08569	1.1
121.10138	0.7
127.03916	0.6
129.06999	1.0
131.08574	0.9
133.10161	0.4
136.06181	100.0
137.04532	1.1
137.05925	0.4
147.07983	0.4
147.11673	0.8
149.09619	0.5
152.05681	0.3
157.10086	1.3
167.07002	0.7
175.11203	1.3
177.05431	0.4
184.07300	0.7
193.12233	6.8
211.13281	0.9
267.15857	3.3
285.16980	3.2
292.14661	0.3
303.04919	0.4
304.05240	0.4
304.89346	0.3
305.05576	0.4
420.22394	6.1
438.23465	8.4
491.42953	0.3
582.27710	4.2
600.28784	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	600.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92693	0.3
55.01872	0.4
55.05514	0.8
57.03431	0.8
61.02925	2.9
63.07423	0.3
67.05499	0.8
69.03420	1.3
70.06579	1.8
71.04568	0.9
71.04971	0.3
72.08155	0.5
73.02913	1.2
73.89005	0.3
79.05473	1.0
79.87354	0.3
81.02924	0.4
81.03415	7.5
81.07039	0.9
83.08612	2.0
84.04482	0.4
84.08144	0.6
85.02895	2.9
86.09682	1.5
91.03954	1.1
91.05497	1.6
93.07049	0.4
94.75873	0.3
95.04976	2.2
97.02887	2.0
105.07036	1.0
107.04947	0.9
107.08582	0.4
109.02868	0.3
109.06482	0.4
110.07211	0.3
111.08097	0.5
115.05478	0.5
119.03568	0.7
119.08589	0.7
126.05535	0.3
128.06221	0.4
129.06992	2.6
131.08565	2.1
133.06470	0.6
133.10100	0.6
136.06180	100.0
137.04576	0.9
141.06931	0.6
142.07753	0.4
143.08549	0.4
144.05695	0.7
145.06508	0.5
146.07161	0.3
147.04395	0.5
147.11690	0.7
152.05640	1.6
157.06488	1.0
157.10117	0.9
159.08075	3.2
161.05991	0.5
161.09592	0.7
165.12764	0.3
167.07024	0.5
169.30647	0.3
170.07201	0.6
171.08057	0.8
173.06020	0.3
174.06573	0.4
175.11200	1.0
184.07336	0.8
187.07538	2.0
189.09094	1.0
193.12238	5.5
199.07405	0.3
199.33934	0.3
204.07806	1.1
211.13257	0.9
219.10213	0.5
221.24059	0.3
231.10176	0.6
243.45334	0.3
249.11209	23.2
251.12822	0.5
267.15891	2.5
267.42847	0.4
285.16949	4.0
303.05121	0.7
420.22357	4.4
438.23553	2.4
582.27625	3.0
600.28601	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
57.03436	0.8
66.09722	0.5
69.03428	1.1
70.06594	8.1
70.54187	0.6
70.54518	1.9
72.08132	2.2
72.88958	0.6
73.02911	1.0
79.05489	0.9
81.07028	1.0
82.60501	0.6
83.04990	0.7
84.04490	1.9
84.08121	1.8
85.02883	1.9
86.09717	4.6
88.62299	0.7
91.05476	2.3
92.54641	0.7
93.07021	1.4
95.04952	0.6
97.02876	1.8
97.58651	0.8
100.07622	0.9
100.11242	1.7
102.05536	0.6
103.05428	1.1
105.07037	1.2
107.04967	1.8
110.07114	0.8
111.04436	0.9
115.05414	1.0
117.07043	0.6
119.04949	0.8
120.08116	0.9
121.10125	0.8
123.11734	0.8
126.05494	0.7
128.06210	1.7
128.07074	1.0
129.07007	3.9
131.08592	4.6
133.06517	1.0
136.06174	1.6
141.07004	1.8
143.08537	1.9
144.05734	1.4
145.06471	2.2
147.04410	2.0
149.09570	0.6
152.05681	6.5
153.04088	0.7
157.06474	2.6
159.08058	8.6
161.09598	2.6
167.07071	1.8
169.07646	1.1
170.07281	1.8
171.08067	2.5
172.05237	1.3
174.06654	0.7
175.07521	1.1
177.05443	2.3
182.15425	1.6
183.15784	0.9
184.07339	2.5
187.07529	7.3
189.09093	2.8
191.06946	1.1
198.06648	0.8
199.07433	1.1
203.07047	1.5
204.07645	3.1
210.14850	1.6
211.15167	1.1
216.07852	1.1
218.09590	0.7
219.10114	1.6
221.11693	1.3
231.10152	1.9
233.11696	0.8
237.11368	0.8
249.11226	100.0
250.11493	2.6
251.12779	1.1
267.12329	2.3
307.24057	0.7
345.04453	0.7
346.18649	2.0
387.13391	0.7
420.22342	1.7
438.23245	1.8
472.21716	0.7
473.22980	0.7
527.66302	0.7
582.39990	1.1
599.42194	0.7
600.27576	0.8
600.42145	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70114	0.9
57.03405	1.0
67.05476	1.1
69.03407	1.6
70.06588	3.9
72.08142	1.5
72.71159	0.8
77.61672	0.8
79.05486	2.0
81.03416	1.1
81.07055	1.9
83.08607	1.6
84.04494	1.3
84.08141	1.6
85.02897	2.3
86.09693	3.1
91.05475	3.9
93.07040	2.5
95.05003	1.4
95.08588	2.0
97.02878	1.2
98.20713	1.8
100.11266	2.4
101.11571	1.3
105.07017	1.6
107.04958	1.7
115.05452	1.8
117.07008	1.6
119.04934	1.3
121.10120	1.6
122.15943	1.1
123.11729	2.1
126.05537	1.2
128.06221	2.3
128.07095	1.3
129.06978	5.0
131.04932	1.4
131.08568	7.1
133.06503	1.0
133.10112	1.5
136.06181	2.8
137.05962	1.3
141.06979	2.3
142.07866	1.1
143.08542	1.7
144.05733	1.5
145.02856	2.1
145.06477	2.5
146.07253	0.9
147.04401	3.3
149.05884	1.0
149.09543	0.9
151.11215	1.3
152.05705	2.9
157.06473	3.1
158.07239	1.0
159.08054	12.4
161.09636	3.2
167.07027	2.9
170.07294	1.0
171.08058	2.8
173.06015	1.6
175.07611	1.8
177.05469	3.2
181.04869	1.0
182.15361	2.4
183.15883	1.0
184.07265	1.0
187.07553	6.8
189.09082	3.3
190.09871	1.0
199.07507	1.6
200.98511	0.9
203.07146	1.3
204.07791	4.4
207.06548	1.9
210.14886	1.9
216.07784	2.1
218.09494	1.2
219.10219	1.9
221.11761	1.2
229.72902	1.0
231.10155	3.4
233.11722	1.2
233.26996	0.8
249.11226	100.0
250.11452	1.1
251.12775	2.5
301.86151	0.9
303.05289	1.1
340.89059	0.9
447.82846	1.0
599.42145	1.1
600.27325	1.8
600.42365	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.2
55.01874	25.6
55.05512	59.8
57.07070	5.9
67.05502	84.4
69.03417	9.8
69.07066	52.4
70.91245	12.9
79.05491	52.4
81.07062	100.0
83.04979	15.6
83.08636	22.3
85.06525	5.9
91.05483	58.5
93.07046	72.2
95.04964	18.6
95.08609	89.1
97.06547	31.2
97.10176	11.2
105.07030	75.8
107.04935	5.5
107.08596	55.9
109.06535	10.0
109.10171	47.8
117.07003	29.9
119.08585	66.4
121.06528	9.8
121.10162	46.9
123.08076	14.0
123.11723	11.2
125.09649	17.2
128.06229	5.6
129.07002	22.3
130.07796	5.4
131.08569	55.4
133.10139	55.1
135.08029	10.2
135.11700	21.0
137.09634	10.1
139.11191	9.5
141.06958	6.1
142.07762	8.8
143.08556	29.6
144.66187	3.9
145.10124	58.8
147.08009	5.9
147.11722	29.0
149.09621	10.3
149.13261	9.4
151.07526	10.0
155.08548	16.9
155.10672	4.0
156.09319	5.7
157.10127	35.8
159.11717	42.7
161.09581	7.0
161.13243	10.4
165.09120	14.2
167.08545	6.9
167.10667	15.5
169.10133	18.4
171.11652	33.7
173.13213	28.3
175.11299	5.4
175.14850	10.4
179.50931	4.2
181.10152	11.5
181.12224	7.9
183.11725	18.3
185.13252	23.2
187.11131	4.5
187.14839	20.2
193.10159	5.1
195.11734	16.1
197.13287	14.5
199.14891	14.2
201.16396	7.5
203.14479	5.9
207.11659	8.6
209.13290	11.4
211.14822	12.9
213.16470	11.4
217.15910	6.5
219.17723	6.2
221.13361	6.9
221.15247	26.0
223.14804	8.8
225.16449	7.6
227.17847	5.5
233.15331	10.9
237.16391	5.2
247.17053	5.0
275.20270	5.3
291.22949	4.9
317.25220	4.5
329.24719	7.2
399.32477	13.4
423.32538	12.1
437.34439	5.3
455.35101	16.8
487.37860	80.1
517.40063	9.5
535.41266	10.1
549.42865	11.0
567.43951	30.8
581.46039	37.2
599.39856	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	7.8
55.05499	19.8
57.03400	7.6
57.07074	13.4
59.04991	5.3
65.81322	5.4
67.05502	37.6
69.03423	18.9
69.07064	34.0
71.05026	6.4
71.59189	11.5
79.05499	34.9
81.07050	48.0
83.04977	7.4
83.08607	10.5
91.05490	47.9
93.07044	68.4
95.04961	26.3
95.08604	49.2
97.06543	11.0
101.32078	5.5
105.07030	68.7
107.08577	51.2
109.06507	13.3
109.10156	26.4
113.09638	5.7
117.06998	13.7
119.08557	56.8
121.06510	10.9
121.10141	95.8
123.08044	30.3
123.11707	8.5
129.07011	12.6
130.07794	7.5
131.08565	27.3
133.10144	38.8
135.08025	16.4
135.11720	8.5
137.09598	11.5
142.07794	15.0
143.08595	25.4
144.09363	7.6
145.10120	43.9
147.08037	19.0
149.09531	26.2
151.07536	27.8
155.08507	10.5
156.09352	10.7
157.10129	38.8
159.08041	17.2
159.11691	28.9
161.09605	10.3
161.13344	15.2
163.11263	6.4
165.09120	15.8
165.95157	5.6
167.07100	5.9
167.10678	86.8
169.10127	20.5
170.10849	6.4
171.11673	23.8
173.09660	7.8
173.13292	18.0
175.14854	10.1
179.08542	8.6
181.10062	10.7
181.12192	5.9
183.11694	18.4
185.13283	12.5
187.11261	8.3
187.14841	14.5
189.12733	15.4
191.14342	7.6
193.10106	10.1
194.10931	6.3
195.11693	14.8
196.12410	6.7
197.13301	13.1
199.11247	10.7
201.16513	5.7
203.14374	10.4
207.11758	12.9
207.13802	15.3
208.12598	7.5
209.13274	17.0
211.14807	11.2
213.12782	6.2
215.14259	7.3
219.11748	6.0
221.13428	10.5
221.15396	32.7
233.13318	10.8
233.15356	41.9
247.16953	6.6
251.14549	6.0
275.20377	8.0
365.24948	7.3
377.24518	7.0
400.34293	5.4
421.24573	7.0
581.40015	35.0
581.48065	6.6
599.41156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2499
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
54.03914	5.5
58.23151	4.9
69.59868	42.6
92.87923	5.1
98.21439	11.4
145.10066	9.0
185.84875	5.9
251.11742	7.3
257.31705	5.0
310.00119	5.8
339.15970	8.6
353.17709	7.5
364.17139	5.9
369.20709	27.6
379.19232	12.2
397.20209	11.7
425.19519	28.6
451.21182	21.2
453.19565	5.7
456.25076	7.4
462.20224	6.3
479.20502	6.6
512.24182	77.2
521.21405	7.9
539.22864	58.9
564.94501	5.7
582.22400	7.1
599.25049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.60025	1.0
69.03418	1.3
69.46977	8.1
70.06601	1.2
71.61880	0.8
79.05488	2.1
79.62672	0.7
81.03422	1.0
85.02917	2.9
85.63187	0.7
86.09714	0.9
93.07050	2.3
95.04957	2.0
97.02859	1.0
107.04955	100.0
121.02880	1.4
121.06501	1.7
121.10155	4.3
122.10509	1.3
131.04910	1.3
136.06207	1.5
145.06477	1.0
147.04456	1.1
149.06052	1.2
149.09628	1.9
151.03883	1.0
157.06645	1.1
161.06021	1.2
163.03951	1.9
175.03876	1.6
177.05452	1.1
181.05043	2.2
185.05980	1.4
187.03911	1.5
189.05569	1.5
193.05025	3.8
201.05521	1.5
205.04951	4.5
213.05554	1.2
217.05005	5.6
219.02881	0.9
219.06505	1.2
221.04491	1.7
223.06032	1.6
225.05345	1.5
229.04874	1.2
231.06599	2.2
235.06044	4.4
241.04916	1.2
241.14343	1.0
242.14755	1.1
243.06418	1.5
246.47362	0.9
247.06018	4.6
253.04594	0.9
259.06018	6.7
271.06088	2.3
273.07529	0.9
277.07104	1.9
283.06049	2.6
285.07739	1.4
289.07230	1.4
297.07739	1.5
301.07117	3.1
303.04837	1.5
311.09064	2.2
313.07089	3.2
317.10266	0.9
325.07169	2.5
329.10239	2.7
335.09116	1.1
341.10150	4.2
353.10303	5.9
365.10321	4.6
377.10181	2.0
383.11307	7.4
395.11252	8.6
401.11813	0.9
407.11258	6.8
413.12372	2.5
419.11169	5.1
425.12442	3.1
431.13458	9.4
437.12115	1.1
443.13626	1.9
449.12305	4.8
461.12485	4.3
467.13336	2.8
473.12131	1.2
479.13412	3.6
485.14368	2.1
491.13596	1.6
497.14532	5.5
509.14145	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.4
53.66969	0.8
53.72867	0.8
55.05508	2.0
57.03431	3.2
67.05479	0.9
69.03433	5.5
70.06584	3.5
71.01338	1.1
71.04967	2.1
71.58531	1.6
72.08144	1.5
75.04478	1.6
79.05498	9.6
79.29889	0.8
81.07053	1.0
84.08132	1.3
85.02918	4.8
85.20762	1.0
86.09702	2.5
91.05479	9.7
93.07043	57.9
95.01350	1.5
95.04950	3.1
95.08610	1.3
95.92573	0.9
97.02919	1.6
103.05434	1.6
105.07033	8.3
107.04957	1.1
107.08590	10.0
111.08064	1.0
119.08554	3.0
121.06479	1.6
121.10145	100.0
123.08070	2.6
127.03962	1.2
129.10260	1.1
131.07036	1.3
131.08569	7.0
136.06195	3.8
137.05968	2.7
139.20355	0.9
141.01801	4.3
147.04379	1.3
147.07993	1.7
149.09619	65.7
163.13362	0.9
165.09140	0.9
167.10670	8.8
223.13312	2.8
241.14340	27.4
323.12845	1.1
325.12787	3.8
369.18945	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.27
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57845	1.1
55.05483	1.3
57.03429	2.5
67.05486	2.2
69.03413	5.5
70.06580	4.5
71.04996	3.0
71.13559	2.4
71.13905	2.3
72.08130	1.5
73.02875	2.4
75.04478	1.6
79.05492	12.8
81.07053	2.4
84.08111	1.5
85.02879	5.9
85.07659	9.7
86.09666	1.8
91.05490	9.1
93.07038	57.8
93.07636	3.0
95.01337	2.2
95.04949	5.0
97.02913	1.3
105.07034	6.4
107.04936	15.4
107.08598	11.9
109.06516	1.4
119.08549	2.6
121.06509	1.5
121.10137	100.0
123.08045	2.3
131.08537	7.0
136.06189	9.7
141.01822	3.1
149.09618	65.2
167.10709	7.2
223.13152	1.7
241.14307	25.8
287.05579	2.5
288.05789	5.2
289.06018	3.7
290.06238	3.2
304.05240	2.8
325.12750	2.7
369.19205	1.7
383.11227	2.1
401.93488	1.4
422.23892	2.7
454.34555	1.8
510.31372	1.3
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
53.03936	4.0
55.01869	3.6
69.03429	4.5
69.46412	11.3
69.46847	14.5
70.06577	4.9
74.08848	3.0
79.05484	7.8
81.03421	20.5
85.02902	17.2
91.05475	11.1
93.07045	6.9
97.02850	9.9
98.21510	6.5
107.04942	9.2
109.02891	4.1
115.05471	11.7
117.06998	18.6
123.04414	5.7
127.03893	3.9
131.08609	5.0
133.06473	4.3
137.06036	4.1
144.05672	4.3
145.04935	2.7
145.05322	3.7
145.06487	48.0
147.04404	5.3
153.12708	6.5
155.05981	4.0
156.05693	10.7
159.08075	7.1
161.05898	6.1
167.07056	59.5
173.05972	65.9
177.05453	5.1
180.08553	3.4
181.08626	12.5
187.07487	8.0
190.06239	37.0
193.08607	6.1
195.11432	3.3
202.06165	7.2
203.07024	6.9
205.08595	100.0
217.08601	40.2
219.08179	3.8
219.10191	5.8
223.09692	4.7
235.09563	28.3
247.09698	6.9
265.10782	25.1
287.05606	12.1
288.05896	5.6
299.05380	4.7
300.05844	4.5
315.08582	6.7
330.11105	5.3
336.09885	3.2
337.10764	3.1
383.14816	9.2
401.15918	9.3
612.35101	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	597.3029
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03936	2.3
55.05509	13.1
57.03437	9.5
57.07074	3.6
59.90653	1.5
67.05505	31.5
69.07076	17.6
71.04992	1.6
71.59557	2.9
71.79970	1.5
79.05497	12.6
81.03414	12.9
81.07053	33.0
83.08620	8.3
85.02891	3.2
91.05477	9.7
93.07030	13.9
95.04955	3.5
95.08596	24.2
97.06503	2.3
97.10152	3.6
98.98465	31.0
104.04373	1.5
105.07052	7.1
107.08607	9.0
109.02883	8.4
109.10157	9.0
117.07076	2.0
119.08576	5.4
121.10114	7.5
123.02605	1.6
123.11747	4.8
127.03904	3.1
129.84906	1.3
131.08580	1.9
133.10130	4.3
135.11690	3.1
135.62804	1.5
138.09320	1.6
141.10095	1.5
145.10121	2.4
147.11766	1.7
155.01054	3.0
155.28665	1.5
161.13235	2.1
163.05972	3.1
200.69226	1.7
215.16422	1.5
217.68234	1.5
261.03772	7.5
263.23703	2.1
303.05072	5.6
335.07346	3.8
337.27356	100.0
431.55899	1.6
597.39703	2.1
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
53.03936	4.0
55.01869	3.6
69.03429	4.5
69.46412	11.3
69.46847	14.5
70.06577	4.9
74.08848	3.0
79.05484	7.8
81.03421	20.5
85.02902	17.2
91.05475	11.1
93.07045	6.9
97.02850	9.9
98.21510	6.5
107.04942	9.2
109.02891	4.1
115.05471	11.7
117.06998	18.6
123.04414	5.7
127.03893	3.9
131.08609	5.0
133.06473	4.3
137.06036	4.1
144.05672	4.3
145.04935	2.7
145.05322	3.7
145.06487	48.0
147.04404	5.3
153.12708	6.5
155.05981	4.0
156.05693	10.7
159.08075	7.1
161.05898	6.1
167.07056	59.5
173.05972	65.9
177.05453	5.1
180.08553	3.4
181.08626	12.5
187.07487	8.0
190.06239	37.0
193.08607	6.1
195.11432	3.3
202.06165	7.2
203.07024	6.9
205.08595	100.0
217.08601	40.2
219.08179	3.8
219.10191	5.8
223.09692	4.7
235.09563	28.3
247.09698	6.9
265.10782	25.1
287.05606	12.1
288.05896	5.6
299.05380	4.7
300.05844	4.5
315.08582	6.7
330.11105	5.3
336.09885	3.2
337.10764	3.1
383.14816	9.2
401.15918	9.3
612.35101	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	597.1812
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01868	7.2
60.04527	29.2
65.33991	4.3
67.05493	6.6
69.03418	5.4
69.07064	5.7
69.99124	21.7
70.06581	15.3
71.04989	5.4
72.08148	6.6
73.02921	4.8
81.03406	10.5
81.28909	4.4
84.04465	5.3
84.08138	5.4
85.02904	19.9
86.09704	74.5
91.05482	8.1
93.03406	10.9
95.04974	5.3
97.02869	10.7
98.06048	5.2
102.05556	6.0
105.07032	5.6
107.04961	24.1
109.02876	10.0
114.10297	6.7
114.80352	4.7
115.08675	5.4
119.04968	10.0
120.08115	36.5
121.02864	19.8
121.06512	9.3
123.04439	14.1
127.03908	5.8
129.10297	4.6
131.04906	10.9
131.12875	5.8
135.04396	14.6
136.07611	6.1
137.02370	12.6
145.02849	12.7
145.06128	13.0
147.04362	22.3
149.05942	6.1
151.03906	4.9
153.01830	6.4
157.06136	8.9
159.04399	8.5
161.05946	9.6
163.03935	10.6
165.01955	5.0
166.08678	10.7
167.07060	13.7
173.02460	4.6
173.05933	10.0
173.12973	4.7
174.43607	5.8
177.01894	11.9
177.05424	22.5
181.04948	22.8
182.05278	7.1
183.11327	5.1
187.03946	6.1
189.01833	7.7
189.10349	5.7
191.03401	21.1
195.02855	33.0
197.07732	4.3
201.05452	10.5
203.01674	4.4
203.03450	12.2
205.01216	6.2
205.04971	7.7
207.02919	33.0
214.08296	6.7
215.03374	13.5
219.02863	71.6
221.08089	5.1
223.02371	9.3
225.03819	24.2
229.04890	15.1
231.02826	32.0
232.09314	10.4
233.04509	18.9
235.10832	6.3
237.03923	19.6
243.02893	16.9
245.04494	7.5
249.03970	18.4
253.11850	9.8
257.04391	15.6
261.03955	85.9
271.05887	8.9
273.03925	37.2
275.05280	5.4
285.03973	40.4
287.05328	7.0
291.04962	24.8
297.04160	10.8
297.07547	8.6
299.05505	7.6
303.04990	100.0
309.07578	11.6
315.04904	7.6
321.06314	15.1
327.04959	27.0
327.08694	26.1
339.07858	24.3
345.06000	13.9
351.08459	11.7
357.09836	5.6
363.07495	21.3
379.16080	12.9
381.09766	27.0
393.09595	25.8
405.08731	32.0
405.14301	8.7
411.10898	9.3
415.14108	5.6
423.10181	17.0
429.11813	23.9
435.10901	5.7
441.11221	24.9
447.10861	20.5
451.12506	8.6
459.12280	19.7
465.11234	8.0
483.12701	10.9
495.12140	7.3
543.14740	9.0
585.97272	5.3
597.25830	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	597.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45359	0.4
53.03934	0.8
55.01871	1.1
57.03440	3.4
61.02900	1.7
69.03433	6.1
69.42074	0.9
69.42468	4.0
70.06580	0.8
71.04943	0.5
73.02917	8.7
81.03408	1.7
84.08133	0.6
85.02902	13.7
87.04462	0.9
89.07133	1.1
91.03931	0.7
97.02892	4.6
98.20708	0.8
99.04433	0.7
102.30649	0.4
109.02869	1.1
111.00777	0.6
115.03930	1.3
121.02908	0.6
127.03924	3.7
133.04929	0.8
137.02316	2.4
137.05916	0.9
145.02936	0.5
145.04965	2.1
147.04396	0.6
153.01851	2.9
153.12740	1.7
165.01854	1.7
167.07025	0.6
177.05537	0.4
201.05453	1.3
213.78711	0.4
229.04990	2.7
257.04471	1.9
285.04001	1.3
287.05795	0.5
302.04120	1.3
303.04980	100.0
304.05276	2.4
315.04861	0.5
327.04788	0.6
345.06033	1.7
435.16501	0.8
465.10291	12.0
475.22821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1451
Annotation	Peltatoside
Peak:m/z	Relative Intensity
53.03933	0.4
55.01854	0.9
57.03437	2.6
59.04984	0.4
61.02913	2.3
62.44612	0.3
69.03428	5.4
69.98351	1.6
71.01331	0.7
71.04967	0.7
73.02916	8.9
81.03403	1.5
85.02901	12.2
87.04457	0.8
91.03976	0.4
93.03407	0.4
97.02895	4.8
98.20874	0.5
98.21391	0.7
99.04471	0.8
103.03960	0.8
109.02868	1.3
111.00757	0.7
115.03925	1.5
121.02854	1.1
127.03924	2.6
133.04951	0.7
135.04433	0.4
137.02335	2.4
137.05916	1.0
145.04970	2.3
149.02377	0.8
149.05963	0.3
153.01817	3.7
163.66267	0.3
165.01804	1.7
167.07106	0.4
173.05977	0.5
183.02867	0.5
198.49562	0.4
201.05489	1.6
209.08035	0.7
219.02774	0.3
219.06444	0.4
228.03957	0.5
229.04933	4.3
243.87544	0.4
247.05988	0.8
257.04449	2.9
261.94223	0.4
274.04666	0.9
285.03934	1.4
287.05496	1.4
288.05841	0.9
289.05856	0.7
301.03339	0.4
302.04285	1.1
303.04980	100.0
304.05313	1.1
315.05365	0.4
341.49716	0.4
345.06082	1.5
358.14017	0.3
389.08011	0.4
393.80090	0.4
435.08823	0.6
465.10278	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	597.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.3
56.29093	0.3
57.03439	2.6
61.02914	1.4
64.86623	0.3
68.99778	0.6
69.03423	1.3
70.06598	2.0
71.01352	0.3
71.05085	0.9
72.08149	0.8
73.02918	5.8
81.03400	0.7
84.04501	0.5
84.08131	0.7
85.02896	2.7
86.09737	0.4
93.78929	0.3
97.02892	2.1
109.02915	0.6
111.00797	0.7
115.03935	1.1
119.04916	0.4
120.08115	0.5
121.02859	1.2
127.03883	0.8
129.10226	0.4
133.04979	0.3
135.04457	0.4
137.02316	2.7
145.04950	0.6
147.04396	1.2
149.02379	0.6
153.01820	3.9
163.03908	0.8
165.01782	1.6
167.07112	0.7
173.06114	0.4
177.05501	0.6
183.02885	0.8
183.04350	0.3
191.03438	0.4
201.05472	2.1
229.04964	4.2
247.06036	0.9
257.04446	3.2
265.09494	0.4
274.04770	0.5
275.05093	0.3
285.03857	1.0
303.04987	100.0
304.05295	1.3
310.19763	0.4
315.05225	0.4
322.61908	0.4
345.06152	0.6
389.13116	0.7
435.09442	0.7
465.10306	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	597.1447
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.01871	0.5
57.03436	2.2
61.02915	0.7
68.99796	0.4
69.03431	0.4
70.06573	0.3
70.24879	0.6
70.25299	0.4
73.02916	7.7
77.85199	0.2
78.31994	0.2
81.03429	0.3
84.04477	0.4
85.02897	0.9
93.03384	0.4
97.02908	0.5
98.20786	0.3
107.47894	0.2
109.02862	0.7
111.00811	0.6
115.03938	0.6
121.02877	1.0
127.03932	0.3
130.04980	0.9
137.02338	2.6
139.03900	0.8
147.04456	0.3
149.02359	0.5
153.01813	2.9
155.01607	0.5
161.05977	0.2
163.03883	0.6
165.01813	1.9
166.02620	0.3
172.44449	0.3
173.05931	0.3
183.01201	0.5
183.02910	0.7
184.01329	0.3
186.77242	0.2
187.04044	0.3
201.05444	1.4
219.06538	0.4
229.04961	3.4
229.65068	0.2
247.06013	0.7
257.04428	2.8
274.04639	0.7
285.03888	1.1
303.04984	100.0
304.05518	1.4
315.05142	0.3
329.07736	0.8
330.08218	0.6
345.06085	0.6
399.07166	0.4
459.12234	0.5
465.10284	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	596.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07150	2.7
55.05511	18.1
56.08628	3.0
57.03426	7.1
60.96670	3.4
67.05502	72.1
69.03437	3.8
69.07044	11.9
69.11999	2.8
69.34344	17.5
69.34763	12.1
71.04984	2.7
73.02929	4.8
79.05491	48.8
81.03400	4.4
81.06587	4.9
81.07058	92.6
83.08604	7.0
85.02908	3.2
85.06528	3.3
91.05479	27.2
93.07038	55.7
95.04969	9.6
95.08051	5.4
95.08607	64.8
97.06551	6.3
105.07026	22.5
107.08593	34.0
109.02855	7.5
109.10157	39.5
111.04429	4.0
117.07001	10.1
119.08585	16.2
120.16943	2.9
121.10148	33.4
123.11709	22.7
127.03922	4.0
131.08569	20.8
133.10152	15.2
135.11668	26.8
137.13249	7.1
145.10097	21.8
147.11705	11.1
149.13309	22.4
151.14740	3.9
159.11775	14.5
161.13277	15.4
163.14818	17.8
171.11642	3.5
173.13261	19.1
175.14825	6.8
177.12805	3.2
177.16425	8.4
179.14467	2.9
187.14771	7.2
201.16486	3.4
221.32027	2.9
243.21063	36.5
260.64514	2.9
261.22162	100.0
279.23157	4.3
303.04794	16.1
304.05246	12.6
335.25912	23.3
342.29791	3.4
353.26910	31.1
561.26880	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	596.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
53.42418	0.4
55.01867	1.2
55.05505	1.1
56.49578	0.4
57.03430	1.5
57.07070	1.2
61.02924	1.5
65.03936	0.9
67.05505	4.0
68.99793	0.9
69.03433	6.2
69.07072	2.7
70.06586	1.2
70.59818	0.9
70.60182	0.9
71.01336	0.6
71.04980	0.8
73.02920	1.7
74.60033	0.4
79.05492	8.0
81.03419	4.2
81.07057	100.0
83.04994	0.6
84.08117	0.8
85.02905	39.2
86.09713	0.5
87.00835	7.4
91.05486	1.4
93.07065	1.4
94.64925	0.4
95.01325	1.5
95.04967	0.7
95.08603	15.2
95.61275	0.4
97.02890	6.7
99.04462	2.3
101.02395	0.7
103.03954	1.5
105.01864	11.2
107.04976	0.5
109.02884	6.3
109.10175	1.5
113.02417	0.8
115.03919	0.5
117.01871	0.6
119.04929	0.4
121.10172	0.9
123.04438	1.0
123.49440	0.5
125.02421	0.6
127.03916	15.9
129.01848	1.3
131.04912	0.7
131.08720	0.4
131.18394	0.4
135.04456	0.5
137.05980	0.6
137.13254	19.5
138.02596	0.5
141.01817	5.6
145.04971	6.0
147.02899	1.1
147.04410	1.5
159.02908	2.6
163.03935	0.4
163.52934	0.4
167.07082	1.4
168.07478	0.5
169.05000	0.6
177.04021	0.5
177.05453	0.8
181.04970	0.4
184.07260	0.4
187.05971	0.6
188.61263	0.4
189.03931	2.6
193.04982	0.5
196.38417	0.4
207.06599	0.6
213.03983	1.8
225.03841	0.5
231.05002	5.8
249.06090	3.4
259.09760	0.6
261.06155	0.8
267.05231	0.8
273.06119	1.6
285.06030	0.7
287.05359	0.4
288.05786	0.9
389.07355	0.5
407.08197	0.9
553.79510	0.5
556.02161	0.5
596.32782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60516	4.0
55.01859	13.2
70.02953	5.4
71.58122	8.5
83.06098	13.0
84.04504	23.5
84.04913	3.8
84.08139	5.4
99.05596	3.6
103.40720	4.2
109.07621	4.1
111.04434	8.0
112.03928	11.0
129.06584	16.3
130.04970	31.4
139.03899	72.4
145.06082	8.7
146.06068	5.6
147.04396	8.5
148.05165	10.5
149.00562	9.9
153.06619	9.6
155.01605	24.2
155.08078	5.8
162.03809	6.2
162.05505	9.8
163.02194	10.9
163.03932	19.3
164.01642	3.9
167.01677	5.9
175.06401	5.8
179.01564	23.9
181.03162	23.8
188.07068	14.6
189.07397	10.0
199.07156	8.5
205.09732	6.8
207.01219	4.1
208.04268	34.1
209.02658	7.7
229.03235	5.4
257.02615	8.5
270.04990	9.8
285.02014	5.2
299.06998	34.3
303.03198	95.7
311.06940	100.0
329.04843	7.5
329.08069	30.5
383.09076	24.8
420.79163	4.3
449.10626	18.8
458.12360	24.0
503.10999	18.3
521.11938	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	596.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78779	0.3
53.03941	1.2
55.01863	1.0
55.05523	0.6
55.67282	0.4
57.03432	1.4
57.07063	1.5
57.10910	0.4
58.64360	0.4
60.04512	0.4
61.02925	1.8
62.23695	0.4
67.05502	3.7
68.99792	1.1
69.03428	6.3
69.07067	2.9
69.41603	4.0
69.42458	0.5
70.06586	1.2
71.01363	0.5
71.05000	0.9
73.02910	1.6
76.02223	0.5
78.17023	0.4
79.05494	7.4
81.03416	5.0
81.07057	100.0
82.31671	0.4
84.04498	0.5
84.08141	0.8
85.02905	41.8
86.09707	0.5
87.00828	6.8
90.05482	0.4
91.05486	1.4
93.07049	1.6
95.01322	1.6
95.04980	0.9
95.08608	15.5
97.02885	7.1
99.04467	2.7
101.02383	0.7
103.03945	1.5
105.01865	13.5
107.04955	0.6
108.92646	0.4
109.02879	5.7
109.10162	1.1
113.02341	0.4
115.03953	0.6
119.08607	0.7
121.10104	0.8
123.04464	0.9
125.02441	0.6
126.97317	0.4
127.02953	0.9
127.03919	18.2
127.81358	0.4
129.01886	1.0
131.04926	0.7
135.04346	0.4
136.06255	0.5
137.06003	0.9
137.13254	22.9
140.41469	0.4
141.01833	6.1
145.04950	6.2
147.02902	0.8
147.04428	0.9
151.03943	1.1
154.15935	0.5
159.02856	3.1
163.03915	0.7
167.07069	1.4
169.05019	0.7
175.07571	0.4
177.04012	0.8
177.05522	0.6
181.04916	0.6
189.03925	2.3
196.98923	0.5
207.06540	0.9
213.04059	1.0
219.05072	0.5
231.05029	6.7
231.07236	0.6
249.06046	3.1
261.06122	1.3
267.04996	1.1
273.06036	2.0
285.06192	1.5
287.05692	0.8
288.05859	0.6
303.07306	0.8
389.07330	1.4
407.08337	1.0
596.22894	0.9
604.94867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.05512	11.0
57.03231	1.2
57.03434	12.1
57.07072	1.7
65.03927	2.2
67.01881	1.2
67.05504	42.6
69.03439	1.9
69.07082	10.1
70.10005	7.8
71.04965	2.8
79.05067	1.8
79.05495	24.3
81.03416	20.2
81.06589	2.3
81.07050	38.6
83.04985	3.4
83.08605	3.3
84.83283	1.3
85.02878	2.9
91.05481	13.1
93.07040	30.5
95.04966	4.0
95.08607	29.2
97.06490	4.0
97.10167	2.9
98.98459	32.1
99.04413	1.7
105.07025	9.4
107.04930	1.8
107.08601	15.3
109.02882	10.8
109.06502	3.2
109.10151	16.1
111.08071	1.8
117.07003	5.0
119.08593	9.3
121.06538	1.6
121.10146	12.8
121.71315	1.3
123.08090	2.1
123.11694	5.3
127.03897	3.9
130.14993	1.3
131.08565	5.1
133.10097	6.0
135.11678	7.2
137.02359	2.1
145.04971	1.8
145.10098	6.2
147.11664	4.8
149.09679	1.8
149.13240	5.0
151.11168	3.0
155.00998	2.5
157.10095	2.1
157.51752	1.7
159.11714	2.3
161.13248	2.8
163.06020	3.5
163.11255	2.5
163.14764	2.0
173.02054	3.4
173.13235	2.4
187.14845	1.8
191.10600	1.7
227.12691	1.9
243.21028	1.6
249.33282	1.3
258.54321	1.6
261.03656	11.3
261.22137	5.7
265.14224	1.7
275.20041	2.3
277.21667	3.3
291.51816	1.4
301.03500	2.1
302.04138	2.9
303.04938	9.2
315.04919	1.7
317.25095	3.1
335.07370	3.4
335.25800	100.0
336.26273	2.3
559.22900	3.0
568.96185	1.7
577.24103	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	595.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05497	0.9
57.03424	0.5
60.30414	0.5
61.02904	0.6
65.03939	1.2
67.05498	1.7
69.03417	1.5
70.06586	1.7
71.04993	0.9
71.58244	0.7
72.08157	0.9
77.03924	0.5
79.05474	1.7
80.13326	0.5
81.03417	2.7
81.07056	3.0
83.04991	0.6
84.04500	0.6
85.02923	2.4
86.09699	0.6
89.03902	1.0
91.05483	23.6
93.07030	2.0
95.04974	0.9
95.08590	1.8
97.02898	1.2
97.06541	0.7
101.94660	0.5
103.05481	0.9
105.07035	1.3
107.04967	1.7
107.08585	1.5
109.02878	0.9
109.10103	1.0
117.07051	0.8
119.04946	31.0
119.08580	0.6
120.05258	1.1
121.02840	0.6
121.06564	0.7
121.10139	1.8
122.03698	0.6
127.03946	1.0
129.06956	0.4
129.60292	0.5
131.04930	0.8
131.08546	0.5
132.02089	1.3
133.02849	0.7
133.10123	1.1
135.04408	0.5
136.05197	0.8
137.05931	0.7
145.02811	1.1
145.06462	0.6
147.04417	29.8
148.04822	0.6
149.02341	1.9
149.09595	1.8
149.13304	0.8
157.04008	2.1
161.05881	0.5
163.03928	0.8
164.04692	1.6
167.07050	3.5
171.47896	0.5
175.03923	43.1
177.05518	1.6
179.06985	3.2
181.04939	1.8
187.08980	0.5
191.14326	1.3
207.06532	100.0
208.06906	2.3
209.15388	2.2
271.19043	0.9
287.05627	2.7
302.04318	0.7
317.06635	1.4
351.10733	2.8
366.23117	0.6
369.11707	2.9
385.12866	0.5
527.54602	0.6
595.21179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01858	3.7
55.05511	26.6
57.03432	1.6
65.03939	1.9
67.05503	21.8
68.99789	1.1
69.07059	8.0
71.04142	1.9
71.04494	0.9
71.04990	1.5
79.05491	13.5
81.03415	4.0
81.07056	20.0
83.04978	2.6
83.08623	11.5
85.02930	1.3
91.05475	10.0
93.03423	1.3
93.07039	13.5
95.04969	7.3
95.08603	20.6
97.06544	1.6
97.10176	1.2
98.98460	7.0
105.07029	7.8
107.04952	1.9
107.08601	5.2
109.02899	2.6
109.06502	1.4
109.10148	5.8
111.08070	1.9
113.09621	4.4
117.07037	1.8
119.08560	5.5
121.02874	2.6
121.10136	5.6
123.04402	1.3
123.11732	2.2
125.09706	1.2
127.03905	1.3
131.08615	3.0
133.10147	4.0
135.08139	1.2
135.11711	2.9
137.02339	27.8
137.03406	1.9
145.10136	4.0
147.11658	2.4
149.02367	1.1
149.09625	3.3
153.01839	5.1
157.10172	1.2
161.02373	2.7
161.06075	1.3
161.13234	1.4
163.03917	3.0
163.11174	2.3
165.01848	2.6
167.03389	1.6
175.03867	1.3
179.14363	1.1
183.02901	1.6
187.03848	1.0
189.01834	3.6
191.03383	1.1
201.05490	1.5
203.03424	1.4
207.02892	1.4
217.05043	3.9
229.04962	3.2
237.05487	2.5
245.04456	3.5
251.07101	1.1
253.05006	1.2
255.06631	1.4
257.04532	2.5
259.05936	1.1
261.03818	2.5
261.22076	1.2
265.04935	1.6
269.04483	1.7
271.06216	1.2
273.03998	3.8
274.04666	2.1
275.20120	3.4
283.06107	2.1
283.15472	0.9
285.04041	1.8
287.05527	2.6
297.04288	1.3
299.05502	10.9
301.03592	6.7
302.04181	6.2
303.04974	39.1
311.05609	5.0
313.03461	2.3
313.06900	2.0
315.04968	29.9
323.05511	1.6
325.07193	2.6
326.04044	1.1
327.04996	8.7
329.06482	5.0
335.25781	16.9
339.04974	63.6
340.05713	3.0
341.06546	20.1
353.06549	9.2
355.08127	1.2
367.08176	1.9
369.09769	1.1
379.08096	2.5
395.15356	1.4
423.14523	4.3
433.12814	1.9
439.17709	1.4
451.13895	36.5
465.15610	2.4
467.16962	5.4
469.14938	15.4
481.15060	3.3
483.16315	2.1
491.17032	1.4
507.16275	2.0
509.18616	1.1
549.24652	2.1
559.23065	10.0
577.24323	100.0
578.25037	2.4
595.25366	63.2
596.25232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Tectorigenin 7-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
50.87040	0.2
55.01867	0.2
55.05483	0.3
57.03428	0.3
59.26473	0.2
60.38495	0.2
67.05511	0.3
68.99808	0.2
69.03430	1.3
70.06597	0.4
71.05029	0.3
71.57912	0.4
72.08153	0.3
79.05486	0.3
81.03426	0.4
81.07051	0.2
81.71047	0.2
84.08137	0.4
84.72308	0.2
85.02888	1.1
86.09702	0.5
87.04439	0.4
87.10059	0.2
91.05485	0.7
93.07039	0.6
94.04179	0.4
95.04953	0.2
97.02935	1.0
105.07010	0.3
107.04966	0.3
110.17765	0.2
110.48755	0.2
115.03926	0.6
119.04923	0.4
119.08579	0.2
120.08091	0.5
121.02856	2.0
121.06504	0.2
121.10114	0.2
123.04403	0.2
127.03876	0.3
131.04987	0.3
131.08556	0.2
133.04961	0.5
137.02353	0.5
137.06000	0.3
145.02788	0.3
147.04420	0.7
149.09602	0.2
151.03833	0.2
153.01814	0.3
165.01753	0.2
167.07051	0.7
177.05455	0.5
179.74750	0.2
181.04871	0.4
184.05196	0.5
188.04706	0.7
193.01401	0.2
207.06558	0.4
210.01598	0.3
212.04701	0.7
213.05522	1.1
229.04890	0.9
230.05783	0.3
240.04138	0.4
241.04974	0.6
257.04498	0.6
258.05237	6.3
259.18436	0.2
269.04468	0.3
285.03925	14.4
286.04706	50.0
287.05289	1.4
301.07050	100.0
302.07343	1.3
303.04932	0.6
315.04971	0.6
315.08261	0.2
343.08133	0.4
463.12363	1.5
492.04077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
55.01854	1.9
55.05527	2.2
56.05009	2.0
57.03448	8.8
58.99576	1.6
67.05528	1.9
69.03446	9.3
69.99152	7.2
69.99571	3.6
70.06568	4.6
71.01340	1.8
71.04992	47.1
71.73103	1.8
72.08131	2.3
73.02897	4.1
75.04428	2.2
76.02191	3.4
78.57663	1.7
81.03400	3.8
81.07069	3.1
83.04984	8.4
84.03742	1.6
84.04493	3.2
85.02899	54.2
91.05438	2.5
93.07053	3.9
95.04940	2.4
97.02866	2.2
105.01967	1.5
109.02883	1.8
111.00819	2.0
111.02654	2.0
111.04436	4.3
114.50581	1.6
116.01717	1.7
117.05525	2.5
121.02826	2.6
127.03908	3.7
129.05479	16.1
133.10170	2.1
137.02359	8.6
145.04970	2.4
147.04346	2.3
147.06477	2.5
153.01830	10.5
162.02275	2.3
163.06064	2.5
165.01834	3.6
167.07065	4.2
179.04750	4.1
181.04877	9.1
189.43410	1.5
229.04973	4.1
235.26926	1.5
255.02747	2.0
257.04541	2.3
269.17566	2.3
271.06186	3.0
287.05591	9.3
299.05472	4.2
301.07086	5.3
303.04987	100.0
315.04962	19.3
316.05716	2.3
327.05005	5.9
332.05179	5.1
341.06433	3.4
345.05997	24.9
347.07623	47.4
353.06583	2.9
369.06030	5.5
391.47086	1.6
395.07556	5.8
398.13623	2.0
413.08603	18.6
416.14676	6.3
431.09753	8.0
447.22025	2.1
448.21674	6.2
449.11118	18.1
502.22729	2.5
595.19910	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
52.51966	0.2
55.05502	0.5
57.03440	2.2
63.66706	0.2
68.99798	0.2
69.03432	0.4
69.60342	1.6
70.06583	0.3
71.04992	14.8
75.04501	1.3
76.79719	0.2
83.04969	0.8
84.04494	0.3
84.08105	0.4
85.02903	17.1
85.73540	0.3
86.09652	0.2
87.04485	0.5
97.02869	0.3
107.04948	0.4
111.00789	0.5
121.02869	2.4
129.05481	4.2
133.02817	0.3
137.02345	0.7
147.04382	0.8
147.06544	0.7
153.01819	2.9
155.18906	0.2
161.05959	0.3
165.01839	1.2
167.06964	0.3
171.04489	0.4
177.05406	0.4
181.04968	1.1
183.02892	0.4
185.05957	0.5
190.70427	0.2
213.05434	1.2
231.06490	0.8
241.04973	0.9
258.05240	0.8
259.06076	0.6
269.04352	0.3
287.05490	100.0
288.05835	1.8
299.05603	0.4
329.06525	0.3
449.10803	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	595.1654
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
50.58297	0.2
53.03947	0.3
57.03429	2.0
68.99767	0.3
69.03437	0.6
69.50086	0.7
69.50499	1.2
70.06591	0.7
71.04992	16.2
72.08146	0.6
73.02913	0.4
75.04463	0.5
79.05476	0.4
83.04967	0.5
84.04498	0.4
84.08132	0.8
85.02902	17.2
91.05426	0.2
97.02869	0.3
99.04427	0.3
105.03404	0.4
107.04974	0.5
111.00818	0.5
111.04408	0.4
114.10277	0.4
119.04942	0.3
121.02845	2.5
129.05478	4.3
133.02788	0.4
136.07599	0.3
137.02342	0.9
139.03889	0.3
147.04413	1.1
147.06528	0.5
151.03867	0.4
153.01826	3.2
157.06447	0.4
161.05920	0.3
165.01805	1.3
167.07031	0.4
181.04933	0.5
183.02895	0.6
185.05925	0.4
189.05354	0.4
197.06071	0.2
203.07236	0.2
213.05473	0.8
221.44545	0.2
231.06485	0.7
241.04964	0.9
243.06453	0.2
245.04634	0.3
258.05222	0.7
259.05988	0.6
271.06061	0.6
275.05853	0.3
283.05832	0.3
286.04694	0.4
287.05487	100.0
288.05859	2.1
299.05377	0.7
311.05728	0.3
329.06543	1.0
334.78381	0.3
337.53568	0.2
397.09259	0.4
433.11230	0.6
449.10815	11.4
450.10724	0.3
469.65594	0.3
595.23102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1651
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03913	0.6
57.03422	1.5
59.67276	0.4
61.02911	0.7
68.99799	0.6
69.03417	1.2
69.53503	1.1
69.53930	2.5
71.04992	15.1
75.04469	1.0
80.37298	0.4
81.03425	0.7
83.04976	0.8
85.02901	18.9
87.04454	0.6
91.25610	0.4
97.02849	0.6
97.16169	0.5
101.91920	0.5
111.00813	0.8
111.04404	0.8
121.02843	2.1
127.03851	0.7
129.05496	4.3
145.05077	0.5
147.06506	0.8
153.01822	3.3
153.28163	0.5
154.32753	0.5
158.96054	0.5
165.01836	1.5
169.62918	0.5
183.02855	0.8
213.05486	1.0
258.05157	1.3
259.06149	0.5
287.05487	100.0
288.05838	1.9
296.46609	0.5
299.31781	0.4
329.06613	0.7
564.10291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.88456	0.3
54.12585	0.3
57.03436	1.9
57.30512	0.4
61.02921	1.5
68.99791	0.8
69.03429	0.4
70.06582	0.4
71.04594	0.6
71.04996	13.3
71.25377	0.8
71.50571	0.4
71.58266	0.3
73.02924	0.9
83.05004	0.6
85.02906	15.3
87.04438	0.5
91.03951	0.9
94.50867	0.3
97.02901	1.3
103.03976	0.3
103.63050	0.3
103.66660	0.3
107.04971	0.7
111.00803	1.1
111.04430	0.5
114.56828	0.3
119.04978	0.4
121.02881	2.6
127.03886	0.7
129.05476	2.8
137.02348	1.0
147.04416	1.4
147.06554	1.0
153.01826	3.7
165.01822	1.8
183.02943	1.0
187.11215	0.3
213.05545	1.6
231.06499	0.7
241.04958	0.5
242.46906	0.4
255.31694	0.4
258.05380	1.1
287.05505	100.0
288.05862	1.7
299.05460	1.8
329.06500	1.1
353.06519	1.2
383.07471	0.7
395.07556	0.5
431.09628	0.5
449.10703	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	595.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01851	0.3
55.05499	0.4
57.03444	1.9
61.02915	0.9
67.54535	0.3
68.99788	0.4
69.03416	1.2
69.42007	0.5
69.42352	2.8
70.06573	1.3
71.04988	10.4
73.02914	0.6
75.04451	0.6
75.37367	0.3
79.05479	0.4
81.03392	0.8
83.04962	0.8
84.04482	0.4
84.08151	0.7
85.02904	14.1
86.09712	0.5
91.03968	0.4
91.05482	0.8
97.02848	1.5
99.04475	0.5
109.02885	0.5
111.00745	0.4
117.07034	0.4
119.04946	1.1
121.02889	2.6
127.03910	1.0
129.05458	3.3
137.02374	0.9
137.05988	0.5
145.04929	0.6
147.04419	1.5
147.06529	0.7
153.01840	3.0
157.06396	0.4
161.06024	0.4
165.01848	1.7
175.03941	1.3
177.05466	0.6
183.03001	0.7
185.05896	0.5
207.06535	2.1
213.05476	1.1
231.06624	0.7
241.04964	0.6
258.05258	0.9
259.05984	0.4
269.04288	0.4
287.05484	100.0
288.05753	1.9
299.05466	0.5
303.05029	0.9
329.06500	0.6
347.07697	0.3
353.06155	0.4
358.71103	0.3
449.10516	0.4
471.28427	0.4
595.25336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.6
55.01871	6.1
55.05511	21.1
57.03434	5.5
57.07074	6.4
57.21363	3.1
59.04976	3.3
61.02922	7.1
67.05505	31.1
69.03423	21.9
69.07069	55.2
70.06582	8.5
71.04994	5.8
71.08641	4.2
71.25175	5.4
72.08155	4.8
73.02912	5.4
79.05490	22.1
80.68375	3.1
81.03434	17.8
81.07059	100.0
82.31750	2.6
83.04977	4.6
83.08629	21.6
84.04472	3.9
84.08152	6.6
85.02905	39.5
85.06557	22.6
86.09703	10.1
87.00830	12.6
91.05469	15.4
93.07048	33.8
95.04955	5.6
95.08610	73.7
97.02891	15.0
97.06530	8.8
97.10172	5.6
99.04402	6.5
99.08108	10.9
104.73283	3.0
105.01865	8.7
105.07035	14.2
107.08602	36.9
109.02897	8.9
109.06536	6.5
109.10157	36.7
111.08085	11.2
111.11725	15.2
119.04921	4.4
119.08572	13.5
121.06500	3.6
121.10159	23.0
123.04456	3.1
123.11713	33.6
125.09667	3.7
127.03922	22.1
127.11225	5.3
131.04918	3.8
131.08536	5.7
133.10144	7.3
135.11694	16.7
136.06190	5.9
137.05972	6.0
137.13266	23.0
139.11177	11.9
145.04915	4.2
147.04445	6.7
147.08060	3.1
147.11658	5.1
149.13254	39.0
151.03918	5.1
151.14835	7.1
153.12801	14.7
155.14334	5.5
159.11771	3.2
161.13313	5.2
163.07622	3.6
163.14824	7.8
167.14360	4.8
171.13843	6.1
175.03854	6.8
177.05461	6.9
177.16400	4.0
181.08635	2.9
185.11424	2.9
185.15323	3.9
201.05637	3.4
207.06592	8.5
249.06242	3.6
269.17560	8.3
273.25732	4.4
279.26822	9.6
285.07578	4.1
291.26794	17.3
297.28030	8.5
309.27847	33.2
327.28845	8.3
345.09641	5.0
345.29675	4.0
512.12927	3.4
593.27472	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	593.2752
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
52.53585	0.6
57.89723	0.6
64.90237	0.6
69.26688	7.5
75.54342	0.6
98.21545	1.1
261.04248	0.9
361.94284	0.8
389.17462	0.8
402.18369	1.4
403.18967	1.0
405.20718	1.5
417.16058	1.2
417.21500	4.1
418.21548	1.4
419.22141	3.6
430.17587	0.8
431.18311	9.7
432.19388	1.6
433.24298	4.8
434.24902	0.9
444.19077	0.9
445.19949	8.5
446.20700	4.2
447.21594	4.4
459.21799	4.4
460.22522	13.7
461.23267	9.3
473.23874	1.4
474.23697	0.8
477.22739	1.4
487.24881	0.9
489.26572	0.8
492.25372	1.2
504.21704	0.9
505.22000	7.3
518.22943	1.2
519.24304	0.8
533.17322	1.2
533.25476	25.1
534.25903	1.0
564.24170	1.0
593.27570	100.0
594.28094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
55.05530	0.4
56.52950	0.3
56.62830	0.3
57.03421	0.4
67.05496	1.5
70.15945	1.6
79.05512	0.7
81.07060	1.3
86.69276	0.3
91.05488	1.0
93.07043	0.7
95.08610	0.4
105.07024	0.7
118.80459	0.3
119.08562	0.5
127.09856	0.3
131.08603	0.5
133.10124	0.3
168.27919	0.3
221.13057	0.4
227.15356	0.3
242.02747	0.3
275.20117	0.4
325.14032	0.3
387.15967	0.4
388.16626	0.5
389.17743	1.0
390.18582	0.5
402.18442	1.1
403.19205	3.0
404.19766	0.9
405.20804	1.8
415.19305	0.6
416.15417	0.5
416.20343	0.6
417.16296	0.9
417.21484	3.3
418.22006	1.5
419.22287	3.7
430.17703	1.2
431.18277	8.0
432.18866	2.1
433.24210	5.0
434.24710	1.3
443.18701	0.5
445.19968	10.5
446.20892	4.5
447.21738	5.0
449.23520	0.5
459.21347	3.6
460.22620	10.3
461.23444	10.3
462.20212	0.4
463.21710	0.5
473.23764	2.2
474.24036	0.4
476.25745	1.1
487.24933	0.9
489.26822	0.5
491.24414	1.0
492.25333	1.3
504.21664	0.4
505.22073	6.2
517.81415	0.4
518.23413	0.8
519.23840	0.7
528.18243	0.3
533.25488	22.4
534.25775	0.4
561.24591	0.4
564.23724	0.4
565.28223	0.6
593.27563	100.0
594.27490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52808	0.5
69.41054	2.9
69.41465	1.3
70.58858	0.4
83.32263	0.4
220.43333	0.5
244.78073	0.5
387.16144	0.6
388.17227	0.5
389.17639	1.9
402.18619	1.6
403.19226	5.2
404.19952	1.5
405.20782	2.4
415.19681	0.8
416.20474	1.0
417.16315	1.6
417.21573	4.9
418.21786	2.1
419.22391	5.2
430.17978	1.4
431.18082	11.4
432.19370	2.4
432.24002	1.1
433.24057	10.8
434.24609	1.3
444.19077	0.5
445.19922	12.9
446.20779	5.8
447.21729	5.9
449.23306	0.8
459.21652	5.1
460.22537	16.4
461.23294	15.7
462.23846	0.8
473.23987	2.4
474.24481	0.9
476.25757	1.8
477.22250	1.0
487.24878	1.8
491.25067	0.7
492.25104	1.1
505.21881	6.5
516.22485	0.6
518.23303	1.5
519.23627	0.9
533.25458	52.4
534.25653	1.4
564.23541	0.9
565.28613	1.3
575.26538	1.1
593.27539	100.0
594.28027	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01861	2.3
55.05505	5.7
57.03434	9.2
57.22924	1.2
60.90112	1.4
62.18256	1.3
63.72528	1.2
65.08380	1.3
67.05502	17.6
69.03440	2.7
69.07056	5.1
71.04999	2.2
75.04499	1.9
79.05489	20.1
81.03419	5.7
81.07059	20.2
83.04990	2.8
83.08607	1.8
85.02899	2.8
91.05476	22.3
91.73531	1.3
93.07037	38.2
95.04945	3.5
95.08603	14.5
97.06533	2.2
97.10160	1.5
98.98467	9.5
105.07021	20.2
107.04961	1.6
107.08604	14.7
109.02905	1.8
109.06509	2.2
109.10152	4.3
111.04445	2.8
111.08145	1.8
115.16348	1.2
117.07007	7.1
118.31731	1.2
119.08585	21.2
121.10119	21.7
123.08095	1.8
123.11697	2.6
129.05469	4.5
129.07014	3.8
131.08568	9.8
133.10129	14.3
135.11656	8.7
139.07716	1.2
143.08554	3.8
145.10130	10.0
147.11684	13.0
149.09607	6.1
149.13251	6.5
155.01120	1.6
155.07080	3.2
157.10071	3.8
159.11671	8.2
161.13271	11.1
163.14832	3.4
171.11700	5.7
173.13260	8.7
175.14854	7.0
185.13277	4.9
187.14806	2.1
199.14841	3.3
215.17955	5.8
217.19499	5.9
241.19516	24.1
243.21136	3.0
259.20605	13.5
275.20056	2.5
277.21509	1.6
291.34396	1.2
295.15442	2.1
315.23160	3.1
333.24216	100.0
335.07248	1.4
435.79477	1.4
536.25385	1.4
562.17950	1.7
593.27502	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
53.51234	1.5
55.01859	3.5
55.05493	4.5
57.03416	5.3
61.02901	3.7
63.44462	1.6
65.03938	1.9
67.05504	8.2
69.03432	12.1
69.07052	7.1
70.06587	3.3
71.04988	24.1
73.02918	2.3
75.04465	2.2
79.05491	5.7
81.03418	10.6
81.03811	1.5
81.07056	12.5
83.04968	2.8
83.08616	2.7
84.04474	1.6
84.08140	2.1
85.02901	37.3
85.06536	2.9
87.00813	3.7
91.03917	1.8
91.05475	25.5
93.07036	10.2
95.04951	3.1
95.08590	9.5
97.02879	7.0
97.06509	3.9
97.10184	2.2
99.04456	3.6
99.08067	2.7
103.05447	3.0
105.01848	2.7
105.03358	2.0
105.07020	4.1
107.08575	4.5
109.02877	7.4
109.10136	6.4
111.04444	3.7
119.04936	28.9
119.08559	5.3
120.08092	1.6
121.02840	1.9
121.10131	7.7
123.04405	3.2
123.11711	2.9
127.03930	9.2
127.11186	1.9
129.05482	3.4
131.08511	1.7
133.10127	4.2
135.11674	2.3
136.06137	3.6
137.02310	2.1
137.05949	3.1
145.02835	4.4
145.04900	3.8
145.10112	2.0
147.04416	30.6
147.08081	3.1
147.11740	2.3
149.09619	3.6
149.13290	2.7
151.07590	2.1
153.01746	3.2
157.03922	2.6
159.08037	2.0
161.06044	3.0
163.11243	2.1
167.07045	4.6
175.03899	57.9
175.07408	1.8
177.05452	6.0
179.07045	3.4
181.05013	2.0
182.75644	1.7
205.23204	1.4
207.06522	100.0
207.13841	1.6
208.97079	1.4
221.04291	1.6
229.64670	2.1
235.20570	2.2
269.17267	1.7
276.14243	2.3
277.14554	2.7
299.05692	3.7
310.29056	1.5
313.10648	8.1
325.10733	5.0
327.25302	4.2
341.10202	5.0
351.10638	4.9
369.12256	2.8
397.09161	3.6
415.10214	20.6
429.11804	2.8
447.12881	8.5
457.11240	2.5
593.21063	4.0
593.29358	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	593.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50423	0.2
53.03939	0.7
55.05497	0.3
55.79423	0.3
57.03419	0.5
59.13536	0.3
61.05706	0.3
69.03433	2.4
69.29549	3.3
70.06564	0.3
71.04998	1.6
72.08164	0.4
81.03416	2.4
85.02901	2.4
86.09702	0.4
87.00812	1.3
95.04950	0.8
97.02872	1.1
98.21336	1.1
99.04433	0.6
105.99786	0.3
106.25235	0.3
109.02895	1.5
114.52674	0.3
124.05242	0.4
127.03932	1.5
129.05475	0.5
133.10129	0.3
137.02328	1.0
145.04950	0.4
151.03894	16.7
152.04608	0.6
153.01836	1.0
163.03949	0.4
165.01823	1.6
167.07079	0.4
177.05492	0.4
179.03404	0.4
180.04163	1.7
185.09436	0.4
186.06697	0.3
189.05511	0.4
191.07021	0.8
192.04082	0.3
197.05963	0.3
201.05525	0.5
205.05057	0.3
207.06506	1.0
209.00842	0.3
214.06223	0.5
217.05006	0.9
224.03130	0.5
225.05437	0.8
229.04897	0.8
231.06432	0.7
242.05748	1.6
243.06558	0.3
245.04475	0.9
253.04974	3.6
257.04416	0.5
257.08093	2.7
259.05960	3.5
269.04459	0.6
270.05167	0.8
271.05981	0.6
273.07501	0.6
281.04422	0.6
282.05179	0.3
285.07578	4.3
287.05508	6.3
297.03851	1.0
298.04709	4.2
299.05313	0.3
301.03857	0.5
301.07071	3.6
302.07816	2.7
303.04996	20.6
304.05374	0.5
313.07043	21.7
314.07404	0.7
315.04910	1.4
330.07321	23.3
331.07697	0.6
345.09680	100.0
346.10049	1.9
474.92395	0.3
514.03741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.01894	4.3
55.05499	11.9
57.03431	5.2
57.07071	6.3
59.04980	4.2
67.05494	15.8
69.03449	13.8
69.07066	52.0
70.06578	9.0
70.83643	8.4
71.04980	2.7
72.08156	3.3
73.02902	6.7
75.73173	2.8
79.05481	10.3
81.03419	6.7
81.07053	36.5
83.04977	3.0
83.08627	6.7
84.08138	6.0
85.02908	14.4
86.09701	5.6
87.00805	3.7
91.05471	10.1
93.07047	17.3
95.05003	6.8
95.08604	23.5
97.02898	9.2
97.06509	5.9
97.10168	3.7
99.04433	3.3
99.08105	3.2
105.07037	10.6
107.08594	14.7
109.02851	3.7
109.10151	14.9
111.11716	11.3
117.07001	3.8
118.06578	4.1
119.04913	3.0
119.08566	13.4
121.10123	12.5
123.04424	5.4
123.08070	5.0
123.11695	15.8
127.03893	6.6
127.11099	3.1
129.64793	3.1
129.71417	2.6
130.06535	7.5
131.08577	5.2
133.06555	3.4
133.10115	5.1
135.11665	5.0
136.06175	5.4
137.13271	4.1
139.03893	4.4
139.11211	14.0
144.08115	2.8
145.02832	3.1
145.10156	5.2
146.06020	9.1
147.04417	5.0
147.11667	5.1
149.13248	6.7
151.03894	12.8
154.06535	2.8
156.57742	3.1
157.12268	5.4
158.06085	3.8
158.08319	2.6
158.09654	7.4
159.09189	4.8
159.11649	4.1
160.07657	2.9
160.11243	5.8
161.13217	3.3
163.11188	4.2
165.05373	3.5
167.07182	4.2
171.09221	5.5
174.12866	2.8
177.05466	4.8
179.14119	2.9
182.08430	2.9
184.11217	13.1
185.48674	2.8
186.09111	5.3
188.10693	6.0
194.84866	2.8
196.11235	9.1
201.13834	4.1
202.12267	3.2
204.85867	3.0
211.12292	5.8
212.10727	10.6
213.13873	21.0
219.10136	17.1
229.13373	19.2
257.12866	19.6
275.13898	100.0
295.26260	13.0
307.26407	22.9
325.27344	6.5
367.28348	5.4
371.14822	7.1
484.93802	3.0
542.91644	3.2
579.72137	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	591.2601
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
51.02430	0.2
54.82194	0.1
62.67274	0.1
68.59159	0.1
71.44486	0.2
76.64288	0.1
79.63488	0.1
86.39309	0.2
94.67283	0.1
116.76501	0.1
150.81422	0.2
169.10164	0.1
211.31592	0.1
386.15735	0.2
399.16547	0.3
400.16873	0.4
401.17587	0.5
403.19498	0.2
404.20969	0.3
413.17926	0.3
414.18387	0.6
415.19196	2.1
416.19812	1.0
417.21094	0.3
427.19437	0.2
428.20328	0.3
429.20914	2.9
430.21616	1.7
431.22394	0.4
433.24045	0.3
443.23026	1.1
444.23441	3.1
445.24045	2.1
448.26425	0.4
457.20279	0.6
458.25153	0.4
459.21259	1.0
459.25787	1.3
460.23093	0.2
461.23615	0.3
471.21927	0.3
472.22656	1.4
473.23471	2.5
474.24399	1.2
475.25455	0.3
476.22223	0.2
485.23386	0.7
486.23804	0.4
487.24921	10.1
488.25137	0.6
489.22937	1.1
490.23734	0.2
500.22006	0.3
503.25580	0.8
515.24664	0.4
517.22485	0.3
518.23547	0.3
531.23926	5.7
532.24640	1.9
563.26477	0.2
591.26007	100.0
592.26318	3.4
599.31555	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	591.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
57.03423	1.3
61.02911	0.5
67.05483	1.3
69.03403	1.9
69.07055	0.9
70.02955	0.7
70.06590	1.2
71.01318	0.7
71.04978	2.4
71.58643	0.7
72.08154	0.8
73.02913	1.4
74.02447	2.5
79.05479	2.0
81.03407	0.7
81.07048	1.8
81.24339	0.6
83.04964	1.3
83.08592	0.8
84.08121	1.4
85.02892	2.5
91.05486	2.8
93.07043	3.9
95.04956	1.9
95.08612	1.4
95.28262	0.6
96.08113	0.6
97.02882	1.9
105.06997	1.3
106.06567	1.0
107.08566	0.9
111.04424	1.1
115.03912	0.7
115.05499	0.6
117.07003	1.0
118.06554	3.8
119.04965	0.5
119.08584	1.5
121.10134	4.1
123.04413	2.7
123.08095	0.9
124.07572	0.6
129.05478	0.8
129.06955	0.6
130.06523	5.7
130.08633	1.8
131.08559	1.3
132.04445	0.9
132.08067	2.0
137.05966	0.6
142.06544	0.6
142.08699	0.6
143.07289	0.6
144.08055	2.3
146.06001	11.3
147.04391	1.8
147.08093	1.1
148.99547	0.6
149.09578	2.1
150.12781	0.7
151.03886	6.8
154.06532	2.3
155.07288	1.3
156.08139	1.2
157.07628	1.3
158.06000	6.8
158.08369	2.5
158.09644	7.0
159.09171	2.3
160.07576	2.3
160.11194	6.1
162.07631	0.6
164.07062	0.6
165.05460	1.0
167.07300	4.1
167.10542	0.7
168.08063	4.1
169.07597	5.1
169.08824	1.3
170.05954	0.7
170.08362	2.8
170.09636	1.1
171.06770	0.8
171.09186	3.3
172.11227	2.2
174.12767	2.6
175.08733	0.7
177.05426	1.0
181.08824	0.7
182.08371	2.5
183.06778	1.4
183.09152	1.2
184.10123	0.7
184.11234	11.7
185.07082	2.1
186.07785	1.8
186.09142	6.5
186.12730	0.7
188.06944	2.8
188.10675	6.2
191.03311	0.6
194.09674	1.2
195.10423	0.7
196.09583	0.8
196.11209	8.6
197.06972	0.7
201.13860	1.7
202.12260	1.9
211.12285	7.4
212.10713	8.8
213.13857	20.5
219.10120	6.9
225.76698	0.5
225.78993	0.6
229.13342	18.0
230.11740	2.2
231.14919	3.1
231.16994	0.6
239.11815	1.5
240.10132	1.9
257.12836	17.2
258.11221	0.8
275.13879	100.0
276.14136	1.9
301.15372	2.0
348.15857	1.0
360.66693	0.7
371.14899	4.1
377.18936	0.7
437.31152	0.6
439.18573	1.3
591.26959	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22195	0.3
53.03938	0.6
55.01859	1.6
55.05499	0.4
56.05032	0.6
62.33553	0.3
65.03943	0.8
67.05495	1.0
68.99782	2.2
69.03424	0.6
69.40746	0.3
69.64426	1.3
69.64856	1.2
70.06588	2.4
72.08147	1.7
74.06055	0.6
79.05471	0.4
81.03414	0.8
81.04543	2.9
83.01340	0.4
83.04986	0.5
83.06096	0.5
84.04503	0.5
84.08131	1.8
84.11201	0.3
85.02901	0.9
86.09699	1.5
89.03916	0.7
91.05441	0.6
93.03387	0.8
95.04966	1.4
97.02872	1.0
102.05614	0.4
107.04940	1.0
109.02869	0.4
110.07171	0.5
111.04430	3.5
115.03949	0.3
116.07169	0.4
119.04927	0.6
123.04427	12.7
127.03960	0.8
127.05034	1.7
129.10242	0.8
131.04941	0.7
133.02827	0.4
135.04413	10.7
137.02338	0.7
137.05968	0.5
139.03899	100.0
140.04262	0.8
141.06952	0.5
145.06474	0.5
146.04898	0.4
147.04381	2.4
149.05981	0.5
151.03897	8.2
153.06953	1.2
159.04408	1.0
161.06004	0.8
163.03905	9.9
165.05493	1.3
169.05055	0.5
169.06404	0.7
170.56912	0.4
173.05959	0.8
175.03944	1.1
177.05482	0.8
179.03377	4.0
181.06464	1.7
185.05981	1.1
187.03900	1.6
189.05461	1.5
191.03316	0.4
193.05011	0.4
197.05952	1.1
198.06816	0.4
199.07527	0.8
201.05484	1.0
203.03362	1.2
203.06956	0.5
205.04973	0.5
207.06543	0.6
209.06004	0.8
213.05505	1.8
214.09000	0.3
215.03397	1.2
215.07042	0.6
215.13768	0.6
217.05029	1.0
227.07021	1.4
229.04990	1.9
229.12083	0.4
231.06607	0.4
237.05479	1.1
241.04951	1.2
245.04477	2.6
255.06522	4.5
257.04453	1.2
259.06061	1.3
265.04959	0.4
269.04431	1.3
271.05984	1.3
273.07535	1.9
281.04428	0.4
283.05991	13.9
285.03915	0.6
287.05441	3.4
289.03653	0.5
289.07141	1.1
291.08606	3.3
299.05511	2.6
301.07047	11.5
303.05292	0.6
303.08612	2.0
311.05423	0.9
345.06061	0.4
411.21347	1.2
421.09256	4.9
429.22308	4.1
439.10522	0.9
451.06366	0.5
506.35818	0.4
591.11584	0.6
591.20203	1.4
601.00214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.05513	19.7
57.03440	16.5
57.07079	46.8
67.05504	45.9
69.07066	19.9
71.04996	2.6
71.08636	39.5
71.28955	4.9
79.05498	34.2
81.07058	52.1
83.08620	19.6
85.10192	20.7
86.10873	2.3
86.68898	2.8
91.05482	53.2
93.07047	47.7
95.04961	4.1
95.08609	44.3
95.92386	2.1
97.10166	5.5
99.08090	4.8
103.03994	2.4
103.13134	2.7
105.07034	65.7
107.08595	28.0
109.10157	24.9
116.79523	2.8
117.07011	17.1
119.08583	49.9
121.10130	18.4
123.11697	5.8
129.06993	11.1
131.08577	17.9
132.05881	2.4
133.10135	37.2
135.11696	16.2
142.07805	3.4
143.08589	7.8
145.10147	20.8
147.11690	54.5
149.09695	3.2
149.13275	13.2
157.10101	11.7
159.11691	19.3
161.09573	3.0
161.13266	38.8
163.14792	4.6
171.11720	11.6
173.13208	13.4
175.14838	15.2
185.13293	8.8
187.14778	4.2
199.14819	8.8
208.35716	2.6
213.16412	3.2
215.17902	2.5
217.19583	3.1
231.21117	8.5
239.23619	3.6
241.19504	41.6
257.24875	3.2
259.20572	100.0
277.21576	3.8
309.38901	2.8
313.27380	94.5
314.27948	2.5
315.23245	5.6
333.24249	43.6
571.47253	5.1
589.48578	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	591.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22195	0.3
53.03938	0.6
55.01859	1.6
55.05499	0.4
56.05032	0.6
62.33553	0.3
65.03943	0.8
67.05495	1.0
68.99782	2.2
69.03424	0.6
69.40746	0.3
69.64426	1.3
69.64856	1.2
70.06588	2.4
72.08147	1.7
74.06055	0.6
79.05471	0.4
81.03414	0.8
81.04543	2.9
83.01340	0.4
83.04986	0.5
83.06096	0.5
84.04503	0.5
84.08131	1.8
84.11201	0.3
85.02901	0.9
86.09699	1.5
89.03916	0.7
91.05441	0.6
93.03387	0.8
95.04966	1.4
97.02872	1.0
102.05614	0.4
107.04940	1.0
109.02869	0.4
110.07171	0.5
111.04430	3.5
115.03949	0.3
116.07169	0.4
119.04927	0.6
123.04427	12.7
127.03960	0.8
127.05034	1.7
129.10242	0.8
131.04941	0.7
133.02827	0.4
135.04413	10.7
137.02338	0.7
137.05968	0.5
139.03899	100.0
140.04262	0.8
141.06952	0.5
145.06474	0.5
146.04898	0.4
147.04381	2.4
149.05981	0.5
151.03897	8.2
153.06953	1.2
159.04408	1.0
161.06004	0.8
163.03905	9.9
165.05493	1.3
169.05055	0.5
169.06404	0.7
170.56912	0.4
173.05959	0.8
175.03944	1.1
177.05482	0.8
179.03377	4.0
181.06464	1.7
185.05981	1.1
187.03900	1.6
189.05461	1.5
191.03316	0.4
193.05011	0.4
197.05952	1.1
198.06816	0.4
199.07527	0.8
201.05484	1.0
203.03362	1.2
203.06956	0.5
205.04973	0.5
207.06543	0.6
209.06004	0.8
213.05505	1.8
214.09000	0.3
215.03397	1.2
215.07042	0.6
215.13768	0.6
217.05029	1.0
227.07021	1.4
229.04990	1.9
229.12083	0.4
231.06607	0.4
237.05479	1.1
241.04951	1.2
245.04477	2.6
255.06522	4.5
257.04453	1.2
259.06061	1.3
265.04959	0.4
269.04431	1.3
271.05984	1.3
273.07535	1.9
281.04428	0.4
283.05991	13.9
285.03915	0.6
287.05441	3.4
289.03653	0.5
289.07141	1.1
291.08606	3.3
299.05511	2.6
301.07047	11.5
303.05292	0.6
303.08612	2.0
311.05423	0.9
345.06061	0.4
411.21347	1.2
421.09256	4.9
429.22308	4.1
439.10522	0.9
451.06366	0.5
506.35818	0.4
591.11584	0.6
591.20203	1.4
601.00214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04533	0.6
67.05485	0.9
67.41454	0.4
70.06588	1.3
71.58028	1.0
72.08156	4.4
81.07081	0.6
84.08150	0.6
85.02911	1.0
86.09727	1.3
87.05593	0.6
93.07043	1.1
95.04982	0.8
105.07022	0.6
120.08069	0.5
127.03870	0.5
129.10251	1.0
136.06189	0.8
171.02757	0.6
180.47150	0.5
181.10735	0.6
199.02147	0.8
211.07219	1.8
230.14877	0.9
256.16800	0.7
263.12540	3.5
265.14127	3.8
281.13602	1.8
305.13678	0.5
307.15057	0.8
351.13016	1.5
352.94495	0.5
393.14063	1.2
407.18253	0.6
413.17923	3.9
425.19330	0.8
439.15717	12.6
440.15732	0.7
441.17310	15.1
441.23114	1.0
457.16794	10.8
589.21021	100.0
590.21210	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	589.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.8
55.27868	5.8
56.44255	5.5
56.72452	6.7
57.03423	10.8
57.07072	39.3
57.59192	5.1
67.05499	36.7
69.07055	15.0
71.08636	30.4
71.57454	9.1
79.05493	31.8
81.07048	39.5
83.08614	11.3
85.10186	15.8
91.05478	36.8
93.07046	34.1
95.08086	7.6
95.08584	38.8
97.10170	8.7
105.07022	43.7
107.08604	18.9
109.10161	19.7
117.06981	11.5
119.08574	33.2
121.10130	10.5
129.06990	7.7
131.08549	15.4
133.10153	34.9
135.11676	18.0
145.10107	16.6
147.11685	49.2
149.13290	15.5
159.11705	15.6
161.13257	39.0
171.08347	5.2
171.11755	10.6
173.13214	11.1
175.14848	14.6
185.13342	12.9
198.99004	5.5
199.14819	6.9
231.21111	13.8
241.19493	37.0
259.20554	100.0
313.27390	97.2
315.23450	9.1
333.24246	51.9
571.47064	9.1
589.48151	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	589.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.5
55.01864	6.6
57.03419	5.0
61.02909	4.6
61.94253	2.1
67.05488	3.3
68.99771	4.0
69.03423	19.5
69.07043	3.4
69.35699	22.3
70.06575	10.5
72.08141	4.7
73.02893	5.1
78.79930	2.2
79.05497	5.4
81.03416	22.6
81.07033	6.0
84.04504	3.3
84.08144	3.4
85.02903	35.4
86.09695	5.8
87.00816	14.2
91.05493	13.1
93.07043	6.9
94.04184	3.1
95.04937	6.7
95.08632	2.6
97.02879	19.6
99.04440	6.8
103.05445	4.4
105.01855	7.2
105.07021	6.6
107.04942	4.6
109.02866	16.2
111.04431	2.7
114.10284	3.2
115.03887	3.1
115.05444	5.4
117.06982	5.9
119.04922	8.1
119.08588	8.2
120.08099	3.4
121.06487	4.1
121.10137	3.7
122.03638	8.5
123.04372	4.0
127.03931	25.0
128.06168	3.0
129.01842	3.0
129.06998	6.7
131.04997	3.2
132.05716	4.1
133.06467	7.9
136.07591	2.8
137.05968	100.0
138.61951	2.6
141.06964	5.1
145.05000	6.4
145.06454	5.9
147.04410	24.3
147.08035	4.2
148.04723	2.8
149.05957	4.2
150.05478	2.5
151.03883	2.9
153.01788	2.4
155.04909	3.5
156.05627	3.4
158.07280	2.8
159.02861	7.6
159.08127	6.2
160.05183	2.5
161.05984	25.7
164.07260	2.6
167.07043	30.8
169.06485	10.3
175.07530	38.1
177.05513	7.1
179.06985	2.8
181.04922	4.1
181.08536	4.0
186.06757	2.4
187.07495	19.0
189.05453	3.7
190.07744	4.7
191.06987	6.2
191.08600	8.4
193.08514	3.4
199.07495	15.3
201.05415	3.3
202.07732	5.4
203.08572	7.5
207.06506	5.7
211.07440	3.4
219.08051	17.0
221.09557	5.5
229.08553	10.6
231.04834	4.4
231.08026	14.4
232.08871	3.8
235.07365	3.2
236.08691	2.6
239.11717	4.8
247.07562	8.5
248.08356	9.9
249.09148	4.9
251.06989	2.8
251.10654	11.1
253.13190	3.5
259.05212	2.7
259.07574	9.8
260.08435	5.1
261.09158	5.1
263.10513	8.6
271.07602	2.8
272.15097	3.4
273.09039	3.3
275.07156	3.3
276.07782	5.1
277.08624	5.8
277.16589	3.0
279.10214	13.7
280.10849	3.7
281.08066	3.0
281.11621	5.4
290.09381	3.3
291.10168	15.0
293.08044	2.8
303.09930	2.8
305.99750	2.4
309.11185	11.6
311.09366	4.5
311.12772	29.0
321.11044	6.8
323.12781	22.2
333.11099	7.1
341.13776	29.8
351.12070	9.9
353.13824	8.8
363.12173	3.9
365.13763	11.9
383.14850	9.4
431.14838	4.8
449.15884	3.6
457.96921	2.7
583.98846	2.6
589.05731	5.3
589.25580	8.1
589.33051	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	588.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.05037	0.8
58.06363	0.3
58.06625	0.6
59.07399	0.3
60.08162	6.3
67.05498	1.1
69.07070	0.4
69.66327	1.2
69.66731	0.6
71.07372	4.0
81.07052	0.5
86.09703	32.8
91.58427	0.2
93.07025	0.5
95.08597	0.4
98.98460	3.2
104.10734	3.4
107.08587	0.4
109.10173	0.8
111.68919	0.3
125.00002	23.0
125.09650	0.3
143.01006	0.5
165.76694	0.2
179.14232	0.2
183.68889	0.2
184.07335	100.0
185.07742	0.5
227.12770	0.5
284.81488	0.3
399.23688	0.6
553.33337	0.5
570.35162	0.8
588.36371	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
54.64123	0.2
55.05506	0.5
56.05030	0.7
57.03439	0.2
58.06365	0.2
58.06620	0.5
60.08162	6.1
60.28584	0.2
65.08526	0.2
67.05497	0.6
68.56036	0.2
69.03429	0.5
69.07069	0.3
71.05013	0.2
71.07373	3.1
75.79688	0.2
79.05489	0.5
81.03430	0.3
81.07043	0.8
83.04978	0.7
85.02919	0.5
86.09702	29.8
91.05475	0.8
93.07051	1.1
95.04954	0.3
95.08598	0.6
98.98454	3.3
99.04425	0.2
104.10735	3.3
105.07034	0.7
107.08605	0.3
107.38667	0.2
111.04454	0.6
117.11391	0.2
119.08572	0.5
119.92022	0.2
121.10162	0.9
123.08115	0.3
124.99997	21.5
131.04950	0.5
131.08534	0.4
133.10124	0.2
143.01024	0.3
149.09627	0.3
155.69421	0.2
184.07330	100.0
185.07661	0.6
189.05328	0.2
289.39624	0.2
301.14328	0.3
489.22519	0.2
491.14926	0.2
570.35712	0.6
588.36975	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51238	1.4
53.03944	2.2
54.55812	1.6
55.01863	6.0
55.05501	3.2
57.03408	3.7
61.02927	2.4
65.03923	2.2
65.43813	1.5
67.05506	11.7
69.03419	7.1
69.07064	2.2
69.99967	9.1
70.06590	9.5
71.04970	4.5
72.08150	3.0
73.02917	18.2
76.06975	2.0
79.05493	16.3
81.03432	7.9
81.07048	8.3
83.04982	4.0
84.04499	3.4
84.08136	7.5
85.02905	16.1
85.06550	16.0
86.09703	11.0
91.05481	57.4
93.06474	3.7
93.07042	57.5
95.04958	8.6
95.08613	13.0
96.91036	1.5
97.02894	16.4
98.20805	1.9
99.04442	2.7
103.05464	2.5
105.03387	2.0
105.07042	10.2
107.04939	3.8
107.08584	10.8
109.02896	3.8
109.06507	3.8
109.10148	3.6
111.04443	6.3
115.05461	2.7
116.52611	1.6
117.03378	2.0
117.07047	12.2
119.04950	2.5
119.08578	100.0
120.05168	2.0
120.08103	4.5
121.06499	5.4
121.10136	11.6
123.04430	5.7
123.08099	3.2
127.03873	7.0
128.06201	3.2
129.06995	7.9
129.10287	2.5
131.04951	1.8
131.08594	11.1
133.04150	1.5
133.10127	3.1
135.04433	2.9
135.08052	10.2
137.05948	3.9
137.09633	14.1
139.07597	1.6
143.08627	1.8
145.02837	7.0
145.04955	3.6
145.10138	4.9
147.04422	10.8
147.08051	60.7
149.09651	10.8
153.09117	3.4
161.06055	2.0
161.09567	2.8
162.07607	1.9
163.07500	1.9
163.11139	3.4
165.09113	52.2
167.06995	2.0
167.10712	3.6
171.08134	1.7
177.05481	8.3
183.10201	14.1
189.09019	1.7
191.10649	10.6
209.11707	17.8
227.12767	38.9
291.12180	2.8
297.13367	2.3
304.13425	1.8
309.13251	11.1
327.14322	11.5
355.18784	1.9
588.40527	4.8
605.96204	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.05516	3.0
56.05030	0.7
57.05819	0.5
61.57009	0.3
62.73815	0.3
69.07066	0.6
70.06596	1.4
70.07450	0.3
70.90455	0.5
70.90778	0.6
72.08157	29.8
81.03429	0.4
81.07037	0.4
84.04506	5.5
84.08165	0.4
85.02908	0.6
86.09707	100.0
91.05460	0.4
93.07001	0.4
95.08580	0.4
99.65240	0.3
102.04854	0.6
102.05540	11.5
105.07072	0.5
126.05527	0.4
132.10214	1.0
138.09155	0.7
141.06607	0.3
152.10687	1.0
154.08658	0.4
154.15898	0.4
156.10236	0.7
157.10663	0.4
158.04460	0.4
167.06952	0.4
170.11769	1.2
175.44719	0.3
177.05453	0.8
183.11308	1.2
185.16508	7.3
197.12840	2.0
199.18002	0.6
201.12340	2.6
213.15977	11.1
215.13908	26.5
227.17520	0.8
229.11772	1.2
243.13409	46.5
244.13777	0.6
245.18629	6.8
289.11633	0.4
297.18100	0.7
306.09644	0.4
307.12836	1.2
311.19855	0.4
314.20596	0.7
324.19165	1.1
326.24506	0.7
342.20233	30.1
344.25549	2.6
356.21637	0.9
402.50751	0.4
410.26648	0.7
427.29251	2.7
455.28690	3.8
460.56461	0.4
473.02908	0.4
586.21216	0.7
587.08136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01861	2.0
55.05508	11.8
57.03431	6.9
57.07059	1.7
58.99585	5.2
63.80907	1.7
65.03931	2.2
67.05506	29.6
69.03422	3.3
69.07056	14.6
70.06588	10.3
70.26050	7.3
71.05001	13.2
73.02911	4.2
75.04478	2.8
76.02225	9.1
76.62215	1.7
79.05497	17.6
81.07059	71.8
83.04967	5.1
83.08625	12.2
84.04519	2.6
84.08141	3.1
85.02901	14.4
85.06537	14.0
86.09710	3.5
86.99061	4.2
87.02708	4.3
88.03980	4.9
88.54673	1.8
91.05480	25.6
93.07045	22.3
95.01345	8.9
95.04984	2.2
95.08607	83.3
97.02876	3.0
97.06538	17.9
97.10168	4.8
99.00822	1.9
99.08082	10.4
105.00082	5.7
105.07034	22.4
106.04189	3.3
107.08598	11.4
109.06519	2.4
109.10143	9.6
110.07153	2.2
111.08081	5.8
112.36994	1.8
113.02390	5.0
113.09651	2.3
117.07048	1.6
119.08584	32.3
120.08125	3.8
121.10158	8.5
122.02712	13.5
123.08070	3.8
131.03456	2.7
133.10132	22.5
135.11707	13.4
136.06230	5.5
137.05896	2.2
137.09634	3.1
137.13272	11.0
141.01808	12.6
149.05989	5.6
149.13281	7.4
153.09074	2.1
161.02713	4.0
161.13257	67.0
177.05472	2.5
179.14310	52.0
184.07449	1.9
184.23164	1.9
197.15408	21.2
209.08145	6.2
213.13174	2.1
216.43829	1.9
229.12508	4.7
241.18097	3.2
253.18074	5.9
255.14185	4.0
259.19186	3.3
271.19028	100.0
284.57922	1.8
289.20172	2.9
301.14621	4.3
303.16318	4.6
318.17413	3.6
329.17792	3.8
347.18909	2.8
357.17358	7.5
375.18246	10.5
392.20920	12.3
393.19415	5.9
410.22052	83.3
568.23639	4.1
586.25348	27.0
610.37946	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04530	3.5
62.17199	2.8
64.90431	3.1
65.65418	3.0
67.05479	2.9
67.49015	2.8
69.03419	6.8
70.06578	10.9
71.58420	4.7
72.08165	4.4
75.04469	3.9
79.05480	3.7
81.03410	4.1
81.94980	2.7
84.04496	4.0
84.08118	4.5
85.02899	14.5
86.09701	7.5
91.05476	17.6
93.03400	9.0
93.07047	6.2
95.04971	6.2
97.02887	7.8
103.05461	45.9
104.51804	3.7
105.03388	4.7
105.07027	13.1
106.04173	9.7
107.04951	6.7
109.06519	5.9
110.06046	4.8
111.32455	3.0
115.05460	3.7
119.04939	24.1
119.08585	5.2
121.06507	20.0
123.04410	4.0
123.08050	4.7
125.05976	7.5
131.04929	100.0
133.06491	8.3
137.05922	8.4
147.04411	12.3
147.08023	5.7
149.05980	30.1
151.07539	7.0
153.09097	5.5
161.05989	45.6
163.03929	3.5
163.07553	73.1
167.07054	39.0
175.07555	10.3
177.05458	19.7
179.07033	7.2
180.12886	3.2
181.08611	14.5
187.07491	18.3
191.07080	7.2
193.08612	3.4
205.08623	24.7
209.08099	90.3
217.08618	7.4
235.09689	7.8
235.62555	3.5
309.11420	4.1
330.46152	3.2
339.12100	5.7
341.13773	6.1
353.13724	4.4
371.14850	4.0
446.32303	3.3
586.28113	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	586.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.8
58.46535	2.5
65.03944	3.3
69.03431	2.9
69.27102	13.4
69.27528	13.3
70.06592	23.5
72.08144	9.4
74.06070	2.8
79.05482	4.7
84.04517	5.8
84.08125	9.6
85.02886	9.8
86.06038	2.9
86.09693	9.7
87.05585	5.1
91.05478	24.0
93.03415	4.5
93.07036	5.8
95.04934	5.0
97.02880	6.6
97.06584	3.2
103.05460	34.7
105.03374	4.8
105.07026	10.8
106.04164	9.7
107.04943	5.6
109.06487	2.9
110.02418	3.7
114.05547	3.3
114.10299	3.3
115.05445	3.3
118.06523	2.3
119.04930	21.0
120.05303	3.1
121.06515	13.9
129.05440	3.7
129.10216	4.6
131.04918	100.0
132.05731	2.3
133.06479	11.0
136.07632	2.9
137.05959	10.6
145.04918	2.8
147.04407	19.9
148.04716	5.0
149.05978	21.6
151.07500	8.5
152.07103	3.7
153.09059	4.3
159.08046	5.8
161.05957	33.6
162.06685	5.3
163.07529	56.9
164.84673	2.6
167.07033	22.7
175.07539	7.4
177.05486	18.5
179.07054	9.4
181.08569	8.1
187.07487	13.3
190.06235	2.7
191.07022	12.8
205.08534	18.2
209.08060	56.9
217.08510	5.2
235.09676	10.1
249.08862	2.9
260.19861	3.1
341.13937	5.1
350.79736	2.8
367.81778	2.3
371.14865	3.7
448.85474	2.4
586.25726	13.4
586.35284	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	586.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.5
65.03934	4.1
69.03428	1.9
70.06574	7.4
70.93348	4.8
72.08163	2.2
75.04472	5.8
78.04697	4.4
79.05488	3.1
81.03446	1.5
81.07032	2.1
84.04463	1.3
84.08146	2.6
85.02900	5.2
86.09705	4.2
89.03915	1.8
91.05483	13.5
93.03400	11.6
93.07041	10.9
94.07379	1.5
95.04967	8.2
95.08652	1.9
97.02946	1.6
97.06528	3.5
103.05466	7.8
105.07027	6.9
106.04173	27.3
107.04948	2.3
111.04414	1.7
119.04923	3.4
119.08611	1.9
121.06500	31.0
121.10145	8.3
122.10493	2.9
125.05981	6.6
131.04898	4.0
132.46715	1.4
133.02885	4.4
133.06497	6.7
134.03603	4.0
135.04457	1.9
137.05988	8.0
139.07529	2.7
145.02786	1.7
147.04440	6.8
148.05139	4.2
149.05991	49.8
149.09625	4.3
150.09926	2.2
151.07509	1.9
152.05577	1.9
153.09125	12.7
161.05933	8.5
163.07544	4.3
165.05490	2.4
167.07071	1.7
170.26768	1.7
177.05458	25.7
179.07025	1.7
181.08607	25.3
187.99776	1.8
191.06990	12.8
193.08548	7.2
209.08086	100.0
590.73816	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
55.05500	0.8
56.05033	0.5
56.83061	0.4
67.05511	1.0
69.07086	0.6
70.06577	1.8
71.57993	0.4
71.58360	0.4
71.67793	0.4
72.08147	1.9
75.04476	0.3
79.05499	0.7
81.07072	0.6
83.04977	0.8
83.08604	0.8
84.04518	0.5
84.08154	1.1
85.02910	1.0
86.09730	1.1
91.05475	2.9
92.19387	0.3
93.07059	0.9
95.01089	0.4
95.04955	0.7
95.08598	0.7
105.07050	0.9
107.04977	1.2
107.08596	1.0
109.02888	0.5
109.06533	0.4
111.04487	0.7
119.04938	3.6
119.08604	1.1
120.04442	0.4
120.05249	0.5
120.08160	0.5
121.10137	0.6
123.04420	0.7
129.13947	0.4
131.08577	0.8
132.52484	0.4
133.10135	0.4
136.06174	0.8
137.02383	0.4
137.06006	1.2
139.03917	0.9
145.10138	0.5
147.04410	15.3
148.04739	4.6
160.87360	0.4
167.01633	0.5
177.05449	0.7
181.04976	0.8
185.04298	0.8
201.03754	0.6
203.05341	1.0
204.10204	4.7
205.10562	1.9
206.11850	1.2
208.30415	0.4
218.11726	0.8
219.12096	0.5
220.29375	0.4
255.89537	0.4
259.08002	1.6
275.17508	0.8
276.17868	0.8
277.19156	0.5
292.20261	1.3
293.20587	0.9
302.07013	0.8
331.10101	1.9
360.87451	0.4
387.15936	0.7
401.17551	0.6
420.22702	0.4
421.23062	1.0
423.23340	1.8
438.23911	2.6
438.79935	0.4
439.24173	7.5
440.25348	1.7
457.20471	0.8
469.20792	0.9
471.22083	0.9
515.21509	0.6
517.45172	0.4
585.28864	100.0
586.29303	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	585.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52713	0.6
53.03939	0.7
55.05502	1.2
57.03436	3.0
60.04515	4.8
60.05645	1.1
61.02913	1.6
69.03429	6.5
69.51470	1.9
69.51886	3.8
70.06595	3.0
71.04984	7.5
72.08154	8.3
73.02916	1.4
75.04475	1.6
79.05469	1.8
81.03400	1.6
83.05006	2.9
84.04494	1.5
84.05634	0.9
84.08128	1.4
85.02905	22.5
86.09702	1.3
87.04475	1.4
89.10784	1.2
91.05466	2.8
93.07037	4.6
94.07366	1.3
96.04478	1.3
97.02893	5.9
97.07648	1.6
98.06052	0.9
99.04456	3.3
100.07647	0.6
101.06024	0.8
110.07168	0.9
111.04429	1.4
114.10292	15.7
115.08684	4.0
119.04929	7.1
119.08540	0.7
120.08102	0.7
121.10122	3.5
122.10456	1.1
124.03952	10.4
125.04285	2.7
127.03915	1.9
128.07054	0.7
129.05545	2.9
131.12898	0.8
137.06001	0.9
138.10262	0.7
139.08595	0.8
145.04948	1.0
146.08095	3.2
147.04405	87.2
149.09610	1.2
154.04976	0.6
155.12912	1.6
156.11307	1.7
164.09267	0.8
177.05469	1.1
197.13966	0.8
217.13364	7.9
218.11777	7.1
235.14433	2.4
260.13962	11.5
277.16611	16.5
281.13831	1.6
282.14264	1.8
301.16800	1.3
319.17746	1.5
377.02005	1.5
423.22495	2.4
481.23016	1.7
585.27643	100.0
586.27692	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	585.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
54.20002	0.5
55.01841	0.5
55.05506	0.8
56.42899	0.5
57.03422	1.4
60.04523	5.0
60.05633	1.8
61.02911	1.1
64.23034	0.4
68.90248	0.4
69.03423	3.8
70.06591	0.9
70.11036	2.8
71.01352	0.7
71.04989	6.9
72.08150	8.2
73.02906	1.0
75.04454	0.7
81.03406	1.7
83.04970	2.6
83.23010	0.5
84.04485	0.8
85.02900	20.6
87.04471	0.5
89.10779	2.0
91.05460	1.9
92.22168	0.5
96.04427	0.8
97.02882	4.6
97.07617	1.7
98.06059	0.9
99.04434	2.5
101.06004	0.7
109.02879	1.2
110.77480	0.6
111.04412	0.9
114.10283	19.2
115.08660	2.8
119.04951	7.9
119.99981	0.5
127.03912	2.2
128.07054	0.6
129.05455	2.9
131.12897	2.9
138.10204	0.7
139.08798	0.5
142.76192	0.5
145.04955	1.0
146.08080	2.9
147.04404	70.8
148.04816	0.9
155.12947	1.7
156.11264	2.7
164.09193	1.1
177.05562	0.7
202.12247	0.5
217.13350	5.8
218.11723	6.8
235.14433	2.3
260.13953	9.0
277.16589	18.1
277.89859	0.6
301.16495	0.7
319.17700	2.1
358.73639	0.6
359.53030	0.6
423.22217	2.5
481.22897	0.8
585.27631	100.0
586.28162	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2668
Annotation	kirkinine D
Peak:m/z	Relative Intensity
53.66255	0.7
55.05500	0.8
59.36746	0.7
61.89274	0.7
67.05486	2.5
71.34016	1.5
79.05473	1.1
81.03412	1.2
81.07021	1.8
83.04964	1.8
85.02895	1.1
89.79971	0.6
91.05470	1.7
97.02934	1.0
105.07021	0.8
107.08586	0.7
109.06524	0.8
109.10159	1.6
119.08579	1.7
121.10101	1.2
127.03878	0.9
205.19530	0.7
240.65405	0.7
389.48285	0.9
423.54333	0.9
468.93451	0.8
518.80176	0.8
542.79883	0.9
585.26648	100.0
586.26886	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.05471	0.6
57.03417	1.3
60.04522	2.0
60.05648	1.3
61.54812	0.6
69.03425	1.1
70.06563	1.2
71.04976	2.5
71.57502	1.0
72.08151	7.4
73.02884	0.7
83.04967	0.8
84.04515	0.7
85.02901	6.7
89.10794	1.2
91.05492	3.8
95.04957	0.9
97.02859	0.8
97.07625	1.4
98.06035	1.3
99.04451	3.6
107.04916	0.7
114.10291	19.3
115.08696	3.5
116.40983	0.5
117.67446	0.6
119.04951	12.9
121.06483	0.9
122.88793	0.6
129.05453	1.1
131.12920	2.9
133.06483	0.8
146.08122	2.5
147.04408	100.0
148.04831	0.7
149.05997	1.3
155.12822	0.8
156.11311	2.0
161.06020	2.3
163.03883	1.3
164.09198	0.7
167.06999	3.1
177.05533	1.1
180.11354	0.8
193.08607	2.3
195.06531	1.7
197.13947	1.8
209.08098	1.2
217.13370	5.9
218.11780	6.5
227.09200	0.7
235.14449	1.1
260.13950	9.1
277.16629	5.8
302.15036	0.9
343.17798	0.9
397.19583	1.2
439.21878	9.4
481.23157	1.1
487.01407	0.7
505.22919	1.4
506.21390	0.7
568.24927	0.9
585.27643	72.6
586.27966	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	585.1242
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
53.03933	0.8
55.01863	1.2
55.05521	0.9
57.03430	0.4
67.05498	1.0
69.03421	1.2
69.07065	0.5
69.94951	2.3
70.06588	1.2
71.01358	0.5
71.04984	0.5
72.08160	0.7
73.02935	0.4
73.57772	0.4
79.05489	1.6
81.03419	3.7
81.07066	2.7
83.04967	2.8
84.04481	0.5
84.08137	1.0
85.02888	1.6
86.09695	1.7
87.31447	0.4
91.03891	0.4
91.05473	1.4
93.07043	1.8
95.04964	0.8
95.08582	1.0
97.02876	0.9
98.21099	1.2
105.07056	0.8
107.08585	0.5
109.02894	2.2
109.10152	1.2
111.04437	1.4
116.01675	0.6
117.07040	0.7
119.08574	1.4
121.10127	1.1
122.06033	0.5
127.03905	2.9
129.07019	0.7
129.10178	0.7
133.10115	1.0
136.06180	0.7
136.22137	0.4
137.02344	100.0
137.05940	1.3
138.02744	0.7
139.03850	0.4
143.08540	0.6
145.06555	0.4
145.10161	0.6
147.04402	0.7
147.07980	0.5
147.11739	0.5
149.09633	1.0
153.01888	0.7
161.06030	0.6
162.53291	0.4
167.07150	0.7
173.78943	0.6
174.09149	0.5
177.05522	0.6
181.04926	0.8
184.07356	0.6
195.11673	0.4
199.07359	0.4
206.04459	0.5
237.10320	0.5
253.13002	0.5
255.11351	0.5
257.12241	0.4
280.11984	0.4
281.12595	0.8
282.13144	0.7
283.08014	3.0
303.05038	6.1
325.11902	1.5
326.12030	3.2
327.12381	1.1
343.13028	1.5
344.13132	2.0
345.13486	1.3
368.18524	0.5
414.19058	0.5
432.20569	0.5
433.20462	1.1
447.59430	0.5
493.14844	0.5
585.28833	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	584.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24632	0.4
55.01878	0.4
56.05025	0.4
57.03433	0.9
60.04514	0.4
61.02931	4.2
67.05175	0.4
67.05495	1.7
69.03435	2.3
69.07061	0.6
69.64548	0.4
70.06591	3.6
70.54072	1.5
71.04977	0.4
72.08125	0.6
73.02917	2.5
79.05493	1.3
81.03423	1.2
81.07060	2.8
84.04489	1.0
84.08137	1.5
85.02908	4.1
86.09693	1.9
89.83046	0.3
91.03947	2.2
91.05462	1.9
93.07061	2.2
94.04037	0.4
95.04963	0.9
97.02889	5.9
97.06528	0.5
99.04427	0.5
101.02371	0.5
102.05560	0.5
103.05462	1.0
105.07019	1.4
106.04178	0.6
107.04957	1.0
107.08591	0.9
109.02867	0.6
109.06512	0.5
109.11401	0.4
110.07143	0.4
114.10287	0.6
117.69481	0.4
119.03542	0.7
119.04932	1.3
119.08585	0.8
120.08139	0.5
121.06525	0.6
121.10133	1.2
127.03934	0.6
129.07956	0.4
129.10210	0.9
130.08611	0.4
131.04955	0.8
131.08556	0.4
133.06485	1.6
133.10110	0.5
135.04436	0.4
135.11705	0.4
136.06181	100.0
137.04587	1.6
139.07518	0.6
147.04405	2.7
148.15405	0.4
149.05949	2.1
149.13290	0.7
151.03918	0.5
153.01790	0.4
159.11682	0.5
161.06026	2.0
163.03879	0.7
164.87273	0.3
167.07062	1.5
169.01213	0.4
175.03920	0.4
177.05466	5.2
177.12679	0.4
178.07196	0.5
184.07338	2.4
191.07065	0.4
192.07686	0.4
193.04936	0.5
193.08588	1.0
195.06454	0.8
207.06496	0.9
219.10109	0.5
220.06012	0.5
225.07706	0.4
269.17508	1.5
286.16681	1.1
302.19815	0.5
303.04761	0.7
304.05286	0.3
330.19238	12.8
348.20319	1.4
369.13474	0.6
387.13950	0.5
404.22992	4.3
422.23975	50.8
423.24368	1.3
443.19324	0.7
447.86090	0.5
492.24661	1.6
584.29327	12.0
585.25336	1.2
610.38666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01860	1.3
55.05504	1.1
57.03426	3.7
67.05487	1.1
69.03435	5.5
69.25137	11.0
70.06585	4.0
73.02899	1.5
75.04456	2.3
79.05486	11.8
81.03430	1.0
81.07053	1.1
83.43775	0.9
84.08119	1.8
85.02897	3.0
86.09685	2.6
91.05478	10.2
93.05531	2.3
93.07045	61.8
95.01319	3.1
95.04976	4.3
97.02885	2.5
97.68678	0.9
103.05482	1.2
105.07034	8.4
107.08604	9.6
110.07175	1.4
113.02357	1.4
116.06264	1.0
119.04907	1.1
119.08598	3.6
121.06490	1.2
121.10146	100.0
121.49489	1.0
123.08073	2.4
123.11846	0.9
124.03965	1.9
129.10249	1.3
130.92375	1.0
131.08551	8.2
134.13638	1.0
136.06198	8.4
137.05974	1.1
141.01794	4.4
147.88649	1.0
149.09622	67.0
167.10663	10.1
177.05496	1.3
178.45580	1.0
223.13263	2.3
241.14355	33.1
281.13800	1.8
325.12796	3.0
404.23026	1.4
422.23901	5.0
584.29883	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05509	2.0
57.03430	3.2
59.28253	1.0
60.04521	1.0
62.39899	1.0
67.05518	1.6
69.03433	7.3
69.70778	1.0
69.93979	3.5
69.94392	2.6
70.06586	4.5
73.02951	1.2
75.04485	2.0
79.05494	12.8
81.07059	2.4
84.04488	1.7
84.08129	1.4
85.02901	3.8
86.09701	2.2
86.29794	1.1
88.93531	1.0
91.05466	8.7
93.07039	62.3
95.01327	2.5
95.04946	2.2
97.02869	1.8
105.04663	1.1
105.07033	7.9
107.08598	9.2
113.02323	1.2
119.08573	2.4
121.06506	1.9
121.10139	100.0
123.08043	1.7
129.07014	1.2
131.08566	7.4
136.06180	14.7
137.05954	2.0
141.01823	4.1
149.09616	72.7
160.09108	1.0
167.10655	9.9
191.59044	1.2
197.92238	1.1
223.13263	2.4
241.14333	33.6
317.63367	1.1
325.12793	3.5
330.19315	1.9
355.17493	1.1
399.16559	1.8
422.23956	7.2
584.28931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
54.11380	1.4
55.01856	2.0
55.05502	2.3
57.03436	7.9
59.74063	1.3
61.02925	2.2
62.38256	1.6
66.12217	1.3
67.05511	3.2
67.59539	1.4
69.03429	31.8
70.06595	5.3
72.08160	2.2
73.02940	1.5
79.05490	20.2
80.05003	3.9
81.03417	2.4
81.07059	7.1
83.06143	1.6
84.04464	1.8
84.08172	2.9
85.02900	14.6
86.09695	2.6
87.04467	2.9
87.05598	1.4
91.05474	22.0
93.07038	89.5
95.04966	9.8
95.08595	4.9
96.04494	2.5
97.02892	16.7
97.06516	2.1
103.05496	2.2
105.07035	11.8
106.05013	1.8
107.04957	2.8
107.08576	14.6
109.02878	2.9
111.04455	2.8
111.08064	2.5
115.03934	4.8
119.04941	2.4
119.08568	14.8
121.10139	81.3
123.04398	2.1
123.08117	1.9
123.11729	2.8
124.03949	100.0
127.03911	2.3
131.08543	11.3
133.10123	2.1
135.08171	1.7
136.06154	8.6
137.06042	1.6
147.04401	3.6
147.08000	2.5
149.09610	32.2
151.11145	1.6
154.07233	3.0
167.07016	1.8
167.10713	4.7
177.05534	1.9
189.07649	2.7
191.10655	2.0
239.75134	1.9
263.13016	2.1
281.13828	78.5
283.15268	1.9
299.14819	15.2
330.18933	1.6
369.96008	1.6
386.60831	1.9
422.23962	4.5
434.20520	3.3
443.19098	4.7
452.21432	2.1
524.65826	1.8
584.21808	1.7
584.30621	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21123	0.5
52.40649	0.4
53.03959	0.5
55.05511	0.6
57.03419	0.6
61.02900	0.7
61.10915	0.4
67.05504	0.7
69.03429	1.8
69.07072	0.8
70.06579	1.6
70.87166	1.1
70.87508	0.7
73.02924	0.6
74.16971	0.5
75.99126	0.4
78.03436	2.1
79.01855	0.5
81.03401	1.4
81.07059	0.6
85.02888	1.1
85.55536	0.5
86.09695	0.9
91.03977	0.6
91.05437	0.5
93.07073	0.8
95.01311	2.4
95.04978	0.9
96.04469	0.6
97.02886	100.0
97.95660	0.5
98.20951	0.5
100.11224	0.7
102.05589	0.6
102.91724	0.5
106.02898	7.4
107.51163	0.4
110.03651	4.2
111.04426	0.9
118.42773	0.5
123.04417	0.8
124.03943	10.2
125.05991	15.9
127.03906	0.7
128.72430	0.5
136.06183	17.6
139.03877	3.5
148.76463	0.5
153.05461	27.6
154.06244	10.7
170.05746	1.8
184.07352	0.6
185.08086	38.1
196.06073	1.7
210.15007	0.6
220.06030	26.0
238.07094	3.8
241.00752	0.5
246.27032	0.6
254.06581	1.1
263.09338	0.9
330.19177	1.1
333.13437	0.5
399.40836	0.5
400.12415	7.9
422.23923	11.4
422.29712	0.6
425.18188	0.7
443.19077	1.9
584.29095	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.7
57.07059	10.1
65.03924	4.4
67.05508	23.9
69.03416	8.0
69.07062	11.7
69.38538	14.5
69.38968	14.7
79.05505	16.1
81.07046	23.0
83.04961	3.4
83.08617	4.7
85.06524	4.5
91.05477	26.9
93.07052	38.0
95.04951	12.7
95.08612	34.8
105.07028	56.1
107.04977	5.8
107.08573	33.1
109.06569	6.4
109.10168	16.6
117.07005	14.0
119.08585	49.0
121.06548	6.0
121.10122	32.2
123.08085	23.6
123.11715	3.2
128.06252	8.5
129.06996	10.2
131.08578	20.4
133.06433	4.8
133.10120	27.7
135.08046	7.1
135.11664	7.1
137.09601	15.4
142.07808	6.7
143.08569	22.3
144.09323	5.4
145.10114	31.5
147.08052	17.5
147.11685	13.7
151.07556	24.4
155.08525	12.1
156.09349	10.7
157.10132	36.4
158.10840	4.0
159.08049	6.1
159.11697	17.9
161.09627	6.1
161.13248	4.4
163.11179	4.3
165.09116	51.6
167.08600	6.1
168.09306	5.6
169.10130	11.8
170.10876	4.9
171.11717	23.0
173.13261	13.4
175.11188	4.3
175.14844	4.3
179.08588	5.3
181.10112	11.9
182.10909	4.5
183.11722	15.5
185.13237	14.2
189.12727	6.9
193.10149	11.7
194.10936	5.6
195.11732	15.9
196.12483	6.0
197.13235	16.0
199.14883	7.0
203.14366	15.0
207.11636	8.4
207.13789	9.9
209.13258	14.6
211.14874	10.7
219.11729	3.1
219.17426	7.1
221.13222	13.2
221.15324	74.7
222.14040	4.0
223.14838	9.2
225.16344	6.7
232.12427	4.7
233.13274	7.5
235.14891	9.6
237.16315	5.5
245.13306	5.0
246.14030	5.3
247.14674	5.2
247.16948	3.6
251.17900	3.9
257.18912	3.7
261.16293	6.1
263.17950	4.7
273.16479	4.1
275.17969	4.8
295.20557	6.6
297.21985	7.6
306.10822	3.6
365.86502	3.3
375.26736	6.2
392.69858	3.4
403.29977	13.4
503.35223	7.6
509.34531	4.8
565.40411	37.9
583.41516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.05509	17.2
55.42788	2.3
57.07066	11.6
59.04980	5.0
65.03936	6.6
67.05504	29.4
69.03417	6.8
69.07070	26.6
71.04971	2.7
79.05495	29.9
81.07056	46.5
83.04977	9.3
83.08612	11.2
85.06541	8.8
91.05482	53.7
93.07043	70.9
95.04987	15.3
95.08611	47.1
97.06527	9.3
103.05476	5.2
105.07033	87.7
107.08595	62.5
107.28693	2.5
109.06518	12.8
109.10157	34.5
115.05442	4.9
116.06198	3.3
117.06323	2.2
117.06992	14.1
119.08582	100.0
121.06527	6.1
121.10137	68.1
123.08059	15.2
123.11695	7.1
125.09630	5.3
128.06236	17.7
129.06987	21.4
130.07776	10.0
131.08568	46.3
133.06548	3.2
133.10130	51.0
135.08049	8.6
135.11705	16.4
137.09584	10.8
139.11177	5.0
141.06981	12.0
142.07779	27.5
143.08565	44.8
144.09315	8.2
145.10120	62.0
147.08049	9.8
147.11682	22.7
149.09631	11.5
149.13228	4.4
151.07500	11.0
151.11136	4.6
153.06961	5.5
154.07782	3.6
155.08549	23.0
155.10609	2.9
156.09351	21.5
157.10126	65.5
158.10880	7.0
159.08063	6.9
159.11682	31.8
161.09596	4.3
161.13271	10.5
163.11180	5.1
165.06979	7.7
165.09106	18.4
166.07829	3.1
167.08612	13.1
167.10683	37.2
168.09302	7.8
169.10120	37.0
170.10858	7.8
171.11687	33.8
172.12463	3.8
173.09584	5.3
173.13271	25.7
174.13893	2.6
175.11273	3.4
175.14774	11.9
178.07751	2.9
179.08546	17.4
180.09363	6.1
181.10152	16.4
181.12178	7.0
182.10892	11.5
183.11705	33.8
184.12473	7.1
185.13268	22.5
187.11168	4.4
187.14821	10.8
189.12750	8.2
191.14302	8.6
192.09352	7.4
193.10181	16.6
193.11742	3.1
194.10928	13.9
195.11676	21.3
196.12425	8.4
197.13234	25.5
199.11290	3.7
199.14835	23.0
201.12778	4.2
201.16409	5.5
203.08546	3.6
203.14284	8.3
205.10086	6.4
206.10927	10.6
207.11688	19.5
207.13641	4.5
208.12460	8.1
209.13260	31.3
210.14017	4.3
211.11165	5.3
211.14812	12.1
213.16502	4.1
215.14377	7.2
217.10059	2.8
217.15926	16.0
218.10957	3.4
219.11638	11.2
220.12405	7.2
221.13237	19.7
221.15390	25.6
222.14017	5.5
223.14847	18.1
225.12708	3.7
225.16405	5.6
231.11662	5.9
232.12440	7.1
233.13440	13.1
233.15102	12.9
234.13963	4.3
235.14844	14.4
236.15511	4.3
237.16400	8.7
239.17885	5.3
243.11731	3.9
244.12651	3.9
245.13251	9.6
245.15530	2.5
246.13994	5.9
247.14806	7.3
247.17004	3.0
248.15575	4.1
249.16396	8.4
251.18095	5.1
253.19434	3.3
257.13208	6.8
257.19003	5.8
258.14075	3.9
259.14856	6.4
260.15543	4.0
261.16373	9.1
263.17892	9.0
265.19513	10.9
269.19058	5.7
273.16345	7.5
274.16956	2.8
275.17886	11.6
277.19431	6.8
281.19025	4.5
283.20554	11.0
287.17633	4.4
289.19418	4.3
295.20511	3.8
303.20947	2.5
309.21954	3.0
331.24265	6.3
347.23895	3.6
349.25223	5.6
361.25244	5.8
373.25201	3.8
375.26544	3.1
385.29135	2.9
491.34955	3.2
510.96533	2.8
565.40515	17.1
583.41443	74.9
597.55188	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.05515	20.0
55.05738	3.9
57.07079	14.9
58.42073	2.3
59.04985	4.6
63.58174	2.3
65.03928	5.9
66.34104	2.3
67.05502	32.8
69.03432	9.3
69.07070	26.6
69.32207	23.0
77.25750	2.1
78.42343	2.6
79.05489	33.2
81.07051	41.9
83.04969	10.5
83.08627	11.9
85.06535	4.4
91.05479	56.8
93.07047	69.9
95.04963	15.2
95.08604	39.8
97.06529	7.5
103.05450	6.2
105.07029	87.5
107.04971	2.9
107.08589	60.6
109.06495	17.0
109.10159	23.5
111.08038	4.8
115.05446	5.8
117.07019	23.9
119.08576	97.3
121.06509	5.8
121.10141	74.0
123.08080	21.5
123.11741	5.5
125.05959	3.6
125.09631	3.6
128.06227	13.8
129.06995	24.2
130.07788	8.9
131.08560	41.8
133.10118	44.9
135.08061	9.8
135.11673	18.2
137.09619	8.9
139.11159	7.4
141.06996	11.5
142.07764	27.7
143.08553	48.7
144.09315	7.4
145.10123	62.8
147.08009	12.4
147.11667	23.3
149.09630	11.0
149.13225	3.9
151.07520	13.7
151.11194	3.2
153.06984	6.0
154.07758	6.0
155.08571	22.5
156.09338	22.0
157.10124	64.0
158.10919	9.0
159.08072	6.8
159.11684	28.2
161.09613	8.5
161.13261	11.4
163.11206	12.4
165.06993	7.2
165.09116	18.6
166.07803	6.0
167.08569	12.3
167.10680	46.0
168.09352	9.7
169.10139	34.4
170.10951	10.3
171.08133	2.9
171.11697	35.5
173.09705	4.9
173.13260	33.3
175.11205	5.6
175.14890	12.3
179.08508	14.6
180.09361	7.1
181.10146	22.7
181.12262	5.6
182.10905	13.8
183.11688	33.3
184.12468	7.4
185.09666	3.3
185.13278	20.6
187.11237	4.0
187.14815	11.4
187.52774	2.5
189.12810	8.2
191.14293	12.3
192.09369	6.7
193.10161	17.4
194.10925	15.8
195.11655	23.7
196.12523	9.9
197.13211	31.5
199.14839	17.2
201.16444	4.9
203.14276	11.7
205.10077	6.3
206.10963	9.3
207.11729	21.0
207.13762	6.7
208.12482	10.8
209.13255	37.0
210.13940	5.2
211.14729	17.1
213.12784	3.1
213.16446	5.2
215.14316	7.5
216.09308	3.1
217.10176	4.0
217.15932	9.3
218.10945	4.1
219.11726	11.2
220.12508	9.6
221.13268	19.4
221.15428	35.8
222.13957	8.3
223.14868	18.3
224.15759	3.8
225.16380	8.0
227.14537	4.1
229.10214	4.0
231.11725	8.2
231.17337	3.9
232.12553	6.1
233.13469	13.5
233.15460	13.2
234.14101	6.1
235.14810	16.8
236.15572	4.5
237.16420	11.8
239.14568	3.6
239.17839	3.3
243.11736	4.4
244.12448	4.2
245.13318	10.6
246.14095	5.5
247.14917	15.0
247.17053	4.1
248.15625	3.8
249.16443	9.8
251.18022	8.2
257.13281	4.6
257.19028	6.5
259.14865	6.7
260.15643	5.7
261.16321	11.0
262.17081	4.2
263.18048	7.4
265.19498	10.4
269.19089	7.3
271.14648	3.2
273.16437	7.5
274.17081	3.4
275.17917	10.4
276.18674	3.0
277.19522	2.8
281.18942	4.2
283.20642	14.6
288.18781	3.6
289.19513	5.9
293.19092	3.5
295.20856	3.3
299.17719	4.1
303.21118	3.7
327.21140	3.7
331.24307	7.9
347.23807	5.4
349.25336	7.3
361.25269	3.6
375.26956	7.3
403.29877	4.3
503.34750	3.2
509.33926	3.8
547.39948	3.5
565.40497	25.0
583.41400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
54.48037	2.1
55.05509	16.7
57.02972	2.0
57.07075	11.4
59.04993	5.3
65.03930	5.0
66.99757	1.9
67.05510	34.0
69.03438	9.2
69.07065	24.9
72.10126	2.2
79.05492	29.1
81.07058	38.2
83.04987	12.7
83.08615	10.7
85.06549	8.6
87.35854	2.1
91.05476	60.1
91.06016	4.2
93.07041	67.8
94.89241	2.1
95.04968	17.1
95.08607	43.2
97.06539	6.2
103.05474	6.5
105.07030	85.5
107.08591	61.5
109.06539	8.1
109.10152	23.5
111.08068	3.3
115.05460	5.7
115.49663	2.6
117.07014	19.5
119.08580	100.0
121.06548	7.9
121.10134	54.3
123.08050	21.2
123.11695	7.6
125.06007	3.9
125.09643	3.7
128.06190	14.5
129.06999	21.4
130.07819	9.6
131.08574	41.9
133.06468	3.0
133.10139	47.5
135.08081	13.8
135.11710	14.2
137.09636	13.7
138.90356	2.2
141.06995	10.7
142.07774	29.2
143.08560	51.1
144.09319	8.5
145.06482	4.5
145.10127	56.9
147.08038	21.5
147.09074	2.4
147.11650	17.0
149.09633	5.5
149.13242	5.3
151.07550	19.6
152.06197	2.6
153.07022	8.0
153.09007	2.8
154.07779	4.3
155.08539	22.1
156.09343	26.7
157.10127	68.8
158.10954	9.2
159.08095	6.2
159.11700	27.0
161.09633	8.1
161.13271	9.1
163.11218	7.3
165.07014	8.6
165.09113	39.8
166.07814	6.0
167.08568	15.8
167.10640	11.7
168.09348	11.9
169.10130	36.1
170.10956	9.2
171.11671	41.5
172.12447	4.7
173.09711	3.6
173.13275	26.8
175.11171	2.9
175.14809	15.4
177.09329	2.4
179.08492	17.9
180.09395	8.4
181.10143	18.5
181.12210	8.0
182.10980	7.9
183.11708	34.7
184.12474	8.4
185.09680	2.8
185.13246	20.0
187.11174	2.4
187.14920	6.3
189.12781	7.4
191.14334	8.5
192.09398	8.5
193.10127	19.6
194.10947	13.5
195.11690	26.9
196.12556	7.1
197.13237	27.7
199.14777	16.4
201.16490	3.2
203.08574	3.1
203.14348	15.6
205.10197	4.9
206.10965	9.0
207.11740	23.6
207.13852	10.6
208.12511	7.5
209.13252	33.2
209.15138	3.6
210.13972	4.5
211.11305	3.9
211.14871	11.4
213.12723	3.4
213.16409	5.4
215.14377	3.0
217.10110	3.7
217.15860	10.8
219.11722	13.7
220.12503	8.5
221.13277	21.1
221.15431	68.7
222.14017	5.9
223.14819	16.9
224.15807	2.9
225.16423	7.5
227.14427	3.7
229.86119	2.7
230.11079	4.6
231.11719	6.9
232.12422	4.6
233.13286	15.6
233.15445	6.7
234.14030	5.0
235.14919	13.5
236.15567	3.5
237.16441	9.4
239.18042	6.3
241.15768	2.4
244.12471	3.4
245.13300	9.8
245.15552	2.3
246.14046	6.1
247.14890	11.2
247.17090	3.3
248.15649	4.2
249.16472	9.6
251.17896	4.8
257.13165	4.1
257.19049	7.7
258.14160	3.8
259.14737	5.5
259.20700	2.3
261.16373	12.6
263.18024	10.3
265.19547	6.9
269.19098	3.6
271.14908	3.3
272.15808	2.4
273.16467	6.4
275.17813	12.4
277.19443	4.5
281.19138	4.8
283.15085	2.6
283.20566	14.2
286.19476	3.6
287.20251	6.2
293.19199	3.2
295.20496	4.7
297.22095	4.5
303.20895	3.1
309.16290	2.6
315.21054	3.0
325.21643	2.9
331.24347	7.2
349.25381	7.9
375.26801	12.2
403.30011	5.1
491.35205	5.6
491.90646	2.8
503.35281	7.8
509.34521	3.2
547.39539	3.9
565.40173	18.8
583.41577	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21248	2.0
50.89274	1.9
53.03934	2.6
55.01881	4.2
55.05519	16.6
57.07088	12.8
59.04997	6.1
65.03447	2.0
65.03938	5.8
67.02254	2.2
67.05507	25.1
69.03429	9.7
69.07072	17.1
69.31529	15.0
69.31954	10.1
71.04986	2.9
77.98695	2.3
79.05492	27.9
81.07049	36.1
83.04981	8.0
83.08608	10.4
85.06532	8.1
91.05474	54.8
93.07043	65.4
95.04974	14.7
95.08601	46.0
97.06516	3.5
103.05442	4.1
105.07030	90.8
107.08592	47.1
109.06523	12.4
109.10164	25.6
111.08057	3.0
115.05450	5.5
117.07001	19.8
118.61098	2.5
119.05053	2.2
119.08573	93.0
121.06504	6.8
121.10133	48.9
123.08056	26.8
123.11684	5.7
125.05997	5.2
125.09645	3.6
128.06203	15.2
129.06989	20.0
130.07768	7.9
131.08559	43.8
133.09123	3.9
133.10117	47.3
135.08040	12.7
135.11676	19.5
137.09608	14.1
139.11168	3.0
141.06985	12.2
142.07773	29.6
142.20409	2.7
143.08553	52.5
144.09352	9.8
145.10118	60.0
147.08061	19.7
147.11679	18.6
149.09631	8.9
149.13248	3.0
151.07559	27.3
153.07011	5.2
154.07779	4.9
155.08524	22.7
156.09325	26.9
157.10132	67.4
158.10912	10.0
159.08032	4.4
159.11693	27.0
161.09659	6.4
161.13274	9.9
163.11218	8.4
165.06998	7.1
165.09113	42.3
166.07767	2.5
167.08582	12.2
167.10661	12.8
168.09346	10.0
169.10130	34.6
170.10902	13.1
171.11714	38.0
172.12477	3.8
173.13258	24.5
175.11205	4.1
175.14775	12.1
178.07803	3.5
179.08592	20.1
180.09373	8.8
181.10078	23.0
181.11510	2.6
181.12186	2.1
182.10916	11.5
183.11688	32.4
184.12485	5.9
185.13248	24.4
186.13988	2.4
187.11234	4.1
187.14841	6.3
189.12744	9.1
191.08636	4.3
191.14374	7.1
192.09340	4.9
193.10168	17.1
193.11787	2.0
194.10925	19.1
195.11688	25.2
196.12498	8.0
197.13257	29.6
199.11186	2.7
199.14847	16.9
201.12839	3.5
201.16388	2.9
203.14291	20.7
204.09381	2.7
205.10153	9.5
206.10934	7.4
207.11710	23.3
207.13794	10.9
208.12471	9.7
209.13264	30.7
210.13982	5.9
211.14755	16.1
213.16431	5.1
217.10156	4.2
217.15953	9.4
218.10968	3.0
219.11710	10.7
220.12473	6.6
221.13263	17.4
221.15402	74.6
222.14044	8.1
223.14838	20.5
225.12822	4.1
225.16409	5.6
227.14256	3.2
229.15686	2.6
230.10880	4.3
231.11766	6.4
231.17351	2.8
232.12511	8.0
233.13277	11.0
233.15405	6.8
234.13988	4.9
235.14746	14.7
237.16457	8.0
239.18031	4.2
243.11621	3.3
244.12381	3.8
245.13330	8.3
246.14107	5.9
247.14830	9.6
248.15504	5.3
249.16307	11.9
251.17937	9.3
257.19122	6.3
258.14108	3.6
259.14859	8.8
260.15668	5.5
261.16446	7.5
262.17252	3.5
263.17963	7.9
265.19522	5.7
269.19055	6.0
271.14874	4.2
272.15518	3.3
273.16388	6.0
275.17892	14.4
279.21149	4.7
281.19077	2.5
283.20575	16.2
285.16360	3.2
287.17694	4.0
289.19485	5.8
291.20969	3.5
295.20563	6.0
297.22186	7.4
301.19275	3.1
309.21960	3.4
327.21136	3.9
331.24234	8.8
349.25308	6.6
361.25049	2.7
365.24994	3.0
370.63580	2.8
375.26813	7.0
403.29996	10.2
424.23550	3.0
491.34903	3.9
503.35162	6.8
547.39319	3.2
565.40369	31.4
583.41412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.1
57.10790	0.5
67.05486	2.0
69.03425	0.9
69.07066	0.7
69.36075	4.6
71.04973	0.5
72.90661	0.5
79.05482	1.8
81.03416	1.2
81.07050	1.5
83.49145	0.5
85.02895	0.7
86.09743	0.6
91.05481	1.9
93.07024	1.2
95.04961	1.3
95.08604	1.4
96.27144	0.5
97.02876	0.5
101.27013	0.5
105.07050	1.3
107.08598	1.3
109.06551	0.6
109.10150	0.8
117.07024	0.6
119.08583	1.4
121.10130	1.3
122.64532	0.5
123.04469	1.2
131.08557	0.9
133.10138	1.4
144.08049	0.9
144.82994	0.6
145.10138	0.9
147.11658	0.7
171.10411	0.7
171.11697	0.8
172.11261	0.8
183.09184	0.7
186.09108	0.7
195.09290	0.8
197.10770	1.1
203.09386	0.8
204.10208	1.0
208.09877	1.1
213.10333	1.1
214.11110	0.5
216.10245	3.6
217.11005	0.5
223.12369	1.5
224.09451	0.8
227.11800	0.5
230.11800	4.7
232.13428	0.8
235.12308	1.6
236.09540	0.9
236.11772	1.2
242.10555	1.1
244.09650	0.5
245.10397	2.6
246.11301	1.5
250.09810	1.2
250.13403	1.2
251.11818	5.1
251.14078	0.6
252.14975	1.4
255.11440	0.6
258.11218	1.8
260.11649	0.6
263.11612	0.8
264.11362	1.5
265.12207	1.8
276.12173	0.8
278.12750	0.8
280.14401	7.0
283.10767	1.0
284.11572	0.7
286.10635	0.6
292.14474	1.2
294.12488	0.9
296.13940	1.5
301.11926	1.4
304.11768	14.0
304.15137	0.8
306.16028	3.4
307.16785	1.4
312.11417	0.6
312.14926	0.5
313.12888	0.6
314.12939	1.6
314.16351	0.8
315.13812	1.1
317.15509	0.7
319.12866	4.4
326.13306	0.6
327.13501	1.1
328.14438	2.8
330.15967	1.5
340.14536	0.9
342.15997	3.4
343.12924	3.0
343.16879	1.5
344.13846	0.7
344.17691	1.2
345.14563	0.7
354.15967	1.1
356.17627	4.4
358.19336	0.9
361.97955	0.6
370.19269	0.7
372.13632	1.5
373.14380	1.6
374.14722	3.6
374.18140	0.8
374.19025	1.1
386.14990	1.3
387.15851	3.1
388.16965	0.7
391.16830	0.8
393.16879	0.6
400.16364	0.7
402.18167	9.8
403.18515	1.1
407.18768	1.6
420.15720	1.0
421.15933	0.9
421.20761	0.7
435.17715	1.1
436.19052	1.8
446.18951	0.7
449.19904	1.1
450.20572	0.8
451.21329	1.1
465.22913	0.9
481.22495	2.9
495.20236	0.9
506.20535	1.1
509.21841	2.6
510.22433	0.9
523.23517	1.8
539.26434	0.6
553.20490	1.2
555.25970	0.9
565.24255	1.6
566.22742	1.1
568.23145	4.1
583.25488	100.0
584.25751	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	581.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.8
57.07069	10.3
65.03937	3.9
67.05502	19.8
69.03419	12.3
69.07080	21.0
71.58127	5.7
72.08124	4.0
79.05490	23.9
81.07051	28.2
83.04983	5.7
83.08609	9.4
91.05470	39.1
93.07031	44.4
95.04969	15.6
95.08600	37.8
97.06528	8.3
103.05479	4.6
105.07022	61.3
107.08589	40.6
109.06511	11.4
109.10143	17.3
111.08056	3.8
117.07009	14.0
119.08582	54.0
121.06492	6.2
121.10149	57.9
123.08048	17.7
123.11722	9.2
128.06236	10.0
129.06996	11.4
131.08554	24.7
131.94820	3.4
133.06480	4.1
133.10124	50.4
135.08031	10.7
135.11731	17.2
137.09637	10.5
139.11108	4.6
141.07021	5.2
142.07755	14.4
143.08554	29.1
144.09357	4.5
145.10109	52.4
147.08038	18.1
147.11702	15.5
149.09653	18.2
151.07558	18.0
155.08548	17.0
156.09341	12.6
157.10133	40.0
158.10872	5.9
159.08034	7.7
159.11705	19.7
161.09654	9.9
161.13275	7.3
163.11221	6.2
165.06996	4.6
165.09102	24.0
167.08517	5.9
167.10680	45.0
168.09351	5.7
169.10135	24.0
170.10820	7.3
171.11665	23.3
173.09673	7.7
173.13229	21.3
175.11176	6.8
175.14810	12.6
179.08577	13.5
181.10121	10.7
181.12207	7.7
182.10922	5.3
183.11707	19.6
184.12431	5.0
185.13200	16.5
187.11018	3.9
187.14848	8.5
189.12796	9.2
193.10158	11.7
193.28012	4.5
194.10944	5.5
195.11700	16.9
196.12616	3.5
197.13257	17.1
199.11340	4.6
199.14853	11.0
203.14291	8.7
205.10088	3.8
206.10854	7.7
207.11632	15.1
207.13600	6.7
208.12473	8.1
209.13235	14.8
209.15120	3.3
211.14874	12.8
213.12805	4.6
213.16365	8.2
215.14276	6.8
219.11783	6.8
221.13213	13.6
221.15387	55.3
223.14737	9.6
225.16464	5.1
231.11754	6.7
232.12543	5.8
233.13298	7.8
233.15427	17.2
235.14844	6.7
237.12839	5.2
237.16362	7.8
239.18051	5.2
245.13255	9.7
246.14050	5.9
247.14807	7.1
260.15652	5.0
261.16464	5.2
263.17950	5.1
265.16019	3.9
265.19672	5.5
273.16229	3.6
275.17770	4.7
283.14752	5.4
299.20139	4.5
312.20853	13.6
347.23611	3.6
373.25467	5.3
393.23935	3.7
448.35892	3.8
466.23383	3.7
553.40399	4.8
563.38806	18.7
581.39771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1498
Annotation	Artabotryside A
Peak:m/z	Relative Intensity
50.13217	0.7
54.75209	0.8
55.01846	1.1
57.03423	3.4
58.14185	0.8
68.99786	1.1
69.03426	5.2
69.27125	4.8
69.27554	3.2
70.06564	1.2
71.04990	14.2
73.02896	3.3
75.04452	1.0
81.03406	1.4
83.04961	2.1
85.02438	1.1
85.02904	16.7
86.72128	0.7
95.04974	1.2
97.02863	3.6
98.20773	1.4
99.04441	1.0
107.04947	40.3
109.52341	0.8
111.00768	1.1
111.04450	1.6
113.02375	0.7
115.03932	1.5
121.02829	1.6
121.10143	1.0
129.05457	3.0
137.02351	5.1
138.17281	0.7
139.03957	0.8
145.06458	0.9
147.04337	0.7
147.06517	0.8
149.02357	1.4
149.09735	0.8
153.01768	3.5
165.01883	1.7
168.55072	0.8
169.90485	0.7
173.06024	1.1
175.03825	1.0
177.05450	1.1
187.03746	1.0
193.04932	1.3
201.05493	2.9
205.04984	2.0
217.04927	1.3
219.06596	1.2
229.04933	5.4
231.06548	1.0
235.05942	1.1
241.04994	0.8
247.06046	3.3
257.04489	2.3
259.06067	4.4
271.06036	2.1
274.04758	1.3
282.86459	0.8
283.06107	1.1
287.05374	5.5
289.07187	1.3
299.05423	0.9
301.07034	1.6
303.04971	100.0
304.05344	1.0
311.09137	1.0
313.07184	2.3
315.04968	4.8
325.07111	1.3
327.05087	1.8
329.06662	1.1
329.10226	1.4
345.05945	5.1
353.10120	2.7
369.06070	2.0
377.09900	1.0
381.05939	1.2
383.11081	2.1
395.11340	5.3
399.07211	4.2
399.88724	0.8
407.11298	2.6
413.12338	1.3
417.08185	2.1
419.11285	2.9
425.12170	1.2
431.13440	4.7
435.09207	7.7
443.13773	0.9
449.11987	3.4
461.12369	1.7
467.13300	1.3
479.13293	2.1
497.14468	4.2
545.16113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52936	1.4
55.05498	6.4
57.03416	2.0
57.07073	1.9
58.99586	16.7
67.05503	24.7
68.05839	1.5
69.07063	19.3
71.58005	2.0
76.02227	100.0
76.03999	2.9
79.05482	19.4
81.03396	1.8
81.07053	98.1
82.07397	2.9
83.08614	3.7
84.04504	16.8
86.99042	5.1
88.02175	3.0
91.05473	7.0
93.07048	20.9
95.04975	3.1
95.08601	41.3
96.08929	2.1
98.98472	13.7
105.07018	8.7
107.08591	16.0
109.10140	19.4
116.01662	20.9
119.08561	5.8
121.10133	17.8
123.11694	7.0
125.29063	1.7
130.05022	10.4
133.10120	4.6
133.18243	1.9
135.11751	7.7
137.13251	5.3
142.03207	10.4
144.01141	16.0
147.11653	4.5
149.13264	9.4
155.01027	13.2
161.13293	2.8
162.02197	55.4
163.14828	3.8
170.02733	1.8
170.94118	1.6
179.04846	88.6
187.05363	2.5
215.04791	2.8
233.05945	19.3
245.05965	3.7
253.21980	1.8
264.23975	2.5
278.60971	1.6
291.06506	2.8
308.09134	23.1
337.27164	2.9
338.27667	7.6
459.94098	1.7
460.02228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87629	8.5
55.01860	16.9
55.05513	56.1
57.03432	30.8
60.04509	37.6
61.02920	15.8
67.05500	86.1
69.03405	35.5
69.07060	59.2
69.48869	23.0
69.49277	44.0
70.06571	20.3
71.04996	22.8
73.02927	13.1
75.41053	8.5
76.20213	8.2
79.05496	64.0
81.03402	28.6
81.07063	100.0
83.04959	30.9
83.08607	24.8
84.04528	10.1
84.08109	8.1
85.02911	40.7
91.05470	78.3
93.07042	80.5
95.04968	30.0
95.08586	37.5
97.02870	22.7
97.06526	53.1
97.10152	25.0
99.08025	8.0
105.07037	52.5
107.04962	19.6
107.08572	38.5
109.06482	25.8
109.10161	17.8
111.04448	12.6
111.08083	14.5
113.98711	8.9
115.07555	20.3
117.03397	12.4
117.07004	9.7
119.04935	18.5
119.08612	46.2
119.29122	7.7
120.04460	8.7
120.08110	9.9
121.06488	14.4
121.10132	29.8
123.04420	12.1
123.08047	22.7
125.09603	18.4
127.03932	12.7
128.06149	9.7
129.06996	21.3
131.07019	8.3
131.08542	35.2
133.06451	12.0
133.10123	27.1
135.08069	20.9
135.11638	12.4
135.77773	7.7
136.06192	7.7
137.05931	11.3
143.08488	9.0
145.02867	23.4
145.10121	28.1
147.04398	22.6
147.08020	13.2
147.11641	23.6
149.09592	15.4
150.45874	8.6
157.10143	14.9
159.11693	15.6
161.09596	25.1
163.11186	18.3
167.07053	27.7
168.41570	7.8
171.11678	11.3
175.03926	19.8
175.11189	13.3
177.05504	22.3
184.07343	11.2
189.11209	14.2
189.12755	19.5
193.12183	10.6
201.07538	11.7
207.06514	15.1
208.06779	10.1
217.15831	19.9
233.15422	12.5
245.14140	8.7
269.17471	24.4
273.18317	40.9
283.15286	11.6
291.19495	56.8
317.74658	10.0
327.68896	9.7
332.28024	21.5
347.22037	9.9
365.23248	66.6
383.24274	90.2
580.33905	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11155	7.0
51.75259	6.0
53.03934	12.5
55.01860	18.9
55.05503	29.2
57.03432	27.6
60.04524	30.5
61.02916	16.1
62.94479	5.7
63.60870	5.8
64.96655	6.4
65.03928	11.7
66.15886	6.5
67.05496	71.4
67.25579	6.4
69.03415	25.5
69.07063	55.1
70.06579	25.0
71.04983	28.0
71.57940	10.3
71.58316	11.7
72.08154	10.1
79.05497	52.6
81.03429	53.3
81.07050	100.0
83.04976	21.3
83.08595	19.7
84.04511	17.3
84.08150	14.7
85.02895	36.9
85.06548	10.8
86.09714	12.8
86.65083	5.9
87.04462	8.5
87.32545	6.0
91.05469	62.7
93.07049	79.5
95.04962	24.5
95.08607	34.8
97.02903	36.9
97.06530	76.5
97.10144	12.2
99.04453	8.4
103.05453	7.4
105.07030	48.6
107.04942	22.9
107.08613	35.6
107.09209	6.3
108.34746	6.2
109.02869	6.6
109.06519	20.6
109.10181	12.7
111.08097	10.6
115.07587	16.7
117.07007	26.5
119.04917	14.4
119.08581	42.8
120.04465	15.7
121.06516	16.0
121.10150	35.1
123.04459	6.6
123.08070	20.8
125.09670	10.9
125.74765	5.8
127.03899	18.2
129.06984	11.6
131.08589	22.4
133.06445	9.9
133.10115	28.0
135.08038	17.2
135.11681	10.4
136.06197	16.8
137.05959	11.0
145.10121	17.9
147.04401	14.7
147.08055	9.6
147.11667	16.0
149.09570	16.2
149.13226	9.2
151.11165	7.8
157.10089	8.3
159.07967	7.3
159.11671	22.8
161.09660	7.9
161.13158	9.6
163.11214	12.4
167.03387	6.6
167.07047	25.3
175.03973	7.4
175.11162	15.3
177.05519	18.8
185.13269	8.1
189.11230	7.7
189.12761	19.7
207.06569	12.4
217.15892	8.2
245.19138	9.9
269.17474	36.5
273.18539	39.8
291.19437	35.4
314.26917	23.0
317.06052	8.3
332.27982	16.3
347.22098	8.4
365.23325	32.1
383.24170	31.7
418.12271	10.6
481.61279	7.5
580.33826	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	579.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39156	2.4
63.51921	2.1
67.51311	2.6
70.87924	2.3
71.04974	2.9
71.08637	3.0
71.57768	3.8
81.07074	2.8
83.49158	2.5
96.04926	2.6
117.57782	2.6
124.75688	2.7
125.22033	2.8
125.75567	2.7
241.99193	2.9
255.57434	2.8
267.15683	8.5
323.18411	5.1
355.56189	2.7
451.17184	2.7
561.98230	3.7
579.42322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64823	2.1
55.05502	5.4
56.05022	3.6
57.03434	2.6
61.02915	2.5
67.05486	7.9
69.03420	6.8
69.07063	4.3
70.06593	24.5
70.54359	2.4
71.04987	3.4
72.08162	3.9
79.05478	3.6
81.03417	6.2
81.07041	10.7
83.08600	4.6
84.04496	31.7
84.08130	11.4
85.02900	13.9
85.03320	2.1
86.09701	17.8
91.05475	8.6
93.07020	7.5
95.04976	3.5
95.08597	6.5
97.02878	8.9
97.06506	4.6
98.21521	5.5
102.05531	10.2
103.05471	6.2
105.07021	21.2
107.04968	3.2
107.08575	2.4
112.03996	2.4
115.05460	4.4
119.04928	7.6
119.08598	4.5
120.08081	6.6
121.06466	3.3
121.10120	4.9
122.03588	2.8
123.08111	2.5
127.03922	6.3
129.10254	3.0
130.05002	23.2
131.04964	7.4
131.83858	2.4
133.06493	15.5
133.10141	2.9
135.04382	2.5
135.11679	4.1
136.06207	3.2
137.04944	1.9
137.05962	54.6
137.06953	4.7
145.02835	3.7
146.03584	6.4
147.04393	8.9
147.08023	2.8
148.06053	19.3
149.64136	2.3
151.07452	2.3
157.06354	2.5
158.08098	2.6
161.05983	96.2
162.06657	2.5
167.06989	14.0
175.07628	3.8
177.05463	7.2
181.04985	4.8
182.05440	2.4
184.05260	2.3
184.07333	2.4
191.06981	4.0
191.08527	4.2
199.07515	16.4
202.07756	10.2
203.08543	21.8
205.06532	3.4
206.07318	2.6
215.27541	3.0
219.07977	7.2
220.08821	3.2
231.08047	33.4
232.08768	6.5
234.06679	4.7
237.09077	5.2
247.07593	6.9
248.08308	17.4
249.09163	3.7
259.07541	31.5
260.08276	20.6
263.07062	2.6
263.10629	14.4
265.08621	5.7
276.07678	12.3
277.08524	5.6
279.10184	3.6
291.10141	100.0
291.13409	4.8
292.10733	5.0
293.08066	2.8
303.04840	2.7
308.10239	3.9
309.11200	61.7
315.94299	2.6
323.12738	81.1
341.09912	4.7
341.13855	65.3
382.25848	6.2
400.26828	13.2
497.40326	2.5
548.19843	8.5
580.22333	5.2
580.33423	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	579.283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46781	1.9
52.82184	1.4
53.03941	2.3
55.01874	4.6
55.05510	11.4
56.92236	1.7
57.03433	6.3
57.06804	2.0
57.07071	2.9
65.03950	4.2
67.05505	79.4
67.99081	1.6
69.03413	5.3
69.07069	13.0
70.34273	7.7
71.04968	1.9
71.08625	2.2
73.02916	4.1
75.04447	2.3
79.05492	38.3
79.98051	1.4
81.03411	5.9
81.07056	79.8
83.04999	1.9
83.08619	7.1
85.02928	3.8
85.06529	3.8
89.50453	1.8
90.39542	1.6
91.05482	19.0
93.07048	60.4
93.07634	3.3
95.04971	3.8
95.08610	68.5
97.02901	2.0
97.06504	3.4
97.10152	2.1
98.98474	7.0
99.04465	2.5
105.07043	18.9
107.08595	32.8
109.02879	11.4
109.10165	33.5
110.03669	5.2
111.04469	3.7
117.07018	11.7
119.08598	17.5
121.10145	32.9
123.08044	2.1
123.11701	20.4
125.09680	1.7
127.03895	5.0
129.07002	3.1
131.08559	18.9
133.10124	15.2
135.11688	28.4
137.09647	2.4
137.13260	7.9
145.10121	16.3
147.11708	11.7
149.09634	2.4
149.13252	17.6
151.11215	2.0
151.14888	2.1
153.12665	1.9
155.01059	5.5
157.10144	2.2
159.11699	12.6
161.13287	9.9
163.11195	2.2
163.14841	12.4
165.12784	1.6
173.13254	16.1
175.14842	2.9
177.16402	4.5
179.14328	1.9
187.14838	7.3
189.16435	1.9
191.00119	3.7
201.16351	3.3
205.15779	2.6
209.01134	1.9
233.22661	3.5
243.21065	26.8
261.22147	100.0
263.23734	5.4
279.23178	3.7
303.77164	1.7
317.24756	1.7
335.25757	19.6
336.98346	1.6
337.27304	5.1
353.26886	72.4
354.27374	2.3
377.26450	2.1
487.22763	2.5
561.26746	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	579.2069
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03930	0.5
53.61274	0.3
55.01862	0.4
55.05481	0.3
57.03417	0.5
60.04526	0.4
60.20427	0.3
61.02904	0.6
64.96095	0.3
65.03916	1.3
66.93559	0.3
67.05482	0.8
68.52608	0.3
69.03436	1.9
69.95351	1.2
70.06590	2.2
71.04973	0.5
72.08143	1.0
78.04711	2.2
79.05470	0.8
81.03410	0.9
81.07044	0.5
82.04182	0.5
84.08134	0.8
85.02907	4.2
86.09705	1.6
91.05457	1.4
93.07044	0.4
95.04939	1.1
97.02863	1.3
97.06490	0.4
103.05462	1.2
105.07031	0.7
106.04176	1.5
107.04950	1.5
109.02878	0.6
110.03639	0.5
111.04422	0.6
115.05457	3.8
116.28922	0.3
117.07015	6.2
119.04922	0.8
119.08556	0.6
120.08083	1.0
122.03643	0.5
123.04428	7.8
124.05219	2.1
125.05946	0.4
127.03909	0.8
127.05417	0.8
129.10225	0.6
130.77199	0.3
131.04936	1.0
131.08505	0.3
134.03581	0.5
135.04428	0.4
137.02267	0.3
137.05962	0.9
138.03067	0.4
139.03920	0.5
140.63959	0.3
143.04831	0.4
143.08580	0.3
145.06483	11.1
147.04384	1.3
147.08043	0.5
148.77135	0.3
149.05904	0.5
151.03917	1.1
152.04683	2.2
155.06026	2.5
161.06003	0.8
165.05498	0.4
167.07033	100.0
168.07381	1.1
171.06519	1.4
173.05980	21.2
174.06592	0.4
175.07405	0.4
177.05431	0.8
181.04945	23.0
190.06114	0.5
191.07001	0.5
201.05484	1.0
203.06903	0.3
205.08583	4.3
221.08098	0.5
233.05812	0.7
233.08054	6.4
235.09653	4.0
287.05585	0.6
387.14368	19.7
388.14679	0.7
417.15445	13.8
447.12891	0.4
579.20697	40.3
580.20856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1708
Annotation	Kaempferol 3-rhamnoside-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.05505	2.3
56.64499	0.8
57.03434	5.1
67.05499	1.5
69.03446	4.8
70.06576	2.6
70.87596	2.8
71.01349	1.0
71.04993	33.2
71.21712	1.1
72.08125	1.7
73.02900	1.5
75.04486	4.0
77.18870	1.1
79.05497	1.1
81.03399	1.0
81.07059	2.3
83.04567	1.1
83.04975	6.9
83.06080	1.1
84.04507	4.8
84.08148	3.6
85.02903	39.9
86.09694	2.4
87.04432	1.4
93.07034	1.4
95.04928	1.0
107.04981	1.8
111.04457	5.9
121.02870	7.1
121.10125	1.4
123.04423	1.7
129.05513	11.9
129.06450	1.4
129.75922	1.1
130.05014	5.1
135.04404	2.1
145.06445	1.4
147.04382	2.4
147.06465	2.4
147.07628	2.2
148.10327	1.0
151.07547	1.4
153.01883	2.9
163.03940	2.5
165.01878	1.6
167.07053	7.0
173.06049	1.4
177.05424	1.4
181.04956	2.0
183.02921	1.3
213.05507	1.3
239.09082	1.1
286.04742	1.4
287.05490	100.0
288.05707	1.3
299.05539	8.9
300.06253	1.7
313.06989	2.1
325.07053	2.9
329.06564	10.7
353.06622	8.3
379.08112	3.9
387.14246	1.1
387.67508	1.2
397.09229	11.7
399.28503	2.7
415.10330	5.3
433.11276	12.7
579.20172	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
51.19029	0.9
53.03936	1.1
54.02333	0.7
55.01859	1.5
68.99773	4.0
70.06587	1.0
70.74259	2.5
74.63506	0.9
81.03407	2.7
84.08139	1.2
85.02874	0.9
89.03889	0.9
92.85295	0.8
95.04955	1.8
97.37078	0.8
107.04947	3.3
109.02864	2.7
111.00760	2.0
111.04423	2.5
119.04926	2.5
120.56165	0.9
121.02847	2.2
123.04430	36.3
123.05332	1.7
127.03915	100.0
131.04893	1.4
135.04414	25.5
137.02328	1.5
139.03900	52.9
141.06967	1.4
143.04918	1.0
147.04408	7.6
149.02342	3.8
149.05988	1.3
151.03885	7.5
153.05406	0.9
153.06999	0.8
157.06490	1.2
159.04466	2.6
161.05952	4.2
163.03900	34.3
163.82138	0.8
165.05504	5.1
167.03407	6.4
169.06459	1.3
173.06027	2.4
175.03894	3.0
177.05516	4.2
179.03403	2.8
181.06436	1.0
185.05910	1.3
187.03886	5.9
189.05431	2.4
191.03397	10.9
193.04988	3.6
197.05949	3.7
201.05504	5.1
203.03358	7.8
203.07018	2.0
205.04933	2.4
205.87411	1.1
207.06541	1.2
215.03369	2.5
215.07056	2.5
217.04921	1.6
219.02927	1.7
225.05391	1.6
229.04999	6.2
231.06471	1.3
233.04457	7.6
241.04967	1.8
243.06473	5.0
245.04417	6.8
247.05995	13.3
251.05434	1.8
253.04842	1.2
255.06636	1.5
257.04495	9.7
259.05954	10.2
261.03964	2.6
269.04434	2.5
271.06018	18.6
273.03677	0.9
273.07547	2.0
275.05475	15.3
283.05927	7.8
285.03824	1.2
287.05490	21.8
289.07047	9.9
291.08624	13.8
297.07339	1.2
299.05441	4.7
301.07083	12.5
303.05264	1.1
303.08701	2.1
327.05469	1.2
409.03671	1.3
409.09140	21.4
411.10474	3.0
421.08771	1.0
427.10245	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	579.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67597	0.9
55.01862	1.9
57.79740	0.8
65.03918	1.5
66.32101	0.8
68.99796	4.3
70.06594	1.9
70.48960	3.1
81.01389	0.9
81.03402	3.3
85.02891	1.6
89.03905	1.1
91.05457	1.4
95.04954	2.0
99.04461	1.1
103.05477	1.0
105.03397	1.1
107.04938	4.0
109.02854	2.9
111.00747	1.2
111.04440	4.0
117.31576	0.9
119.04956	3.2
121.02905	1.6
123.04430	42.6
127.03915	100.0
131.04884	2.0
135.04416	30.5
136.07570	1.2
137.02362	2.6
137.06017	1.0
138.80910	1.0
139.03908	44.0
143.04897	1.3
147.04396	6.8
149.02322	5.3
149.05954	2.0
150.69855	0.9
151.03906	8.6
157.06459	1.1
159.04434	3.8
161.05965	4.3
163.02547	2.0
163.03903	31.4
165.05499	5.3
167.03395	8.8
169.06506	2.2
171.81830	1.0
173.05989	3.8
175.03885	3.9
177.05484	4.0
179.03395	3.1
183.04349	1.8
185.05954	1.4
187.03883	6.6
189.05499	2.7
191.03395	11.5
193.04932	3.7
197.06024	4.6
201.05484	5.9
203.03355	8.4
203.07016	2.5
205.04982	3.4
213.05450	1.2
215.06995	2.8
229.04935	6.8
231.06567	1.1
233.04482	5.5
233.06445	0.9
241.04831	1.1
242.46281	0.9
243.06546	4.4
245.04512	6.7
247.05992	12.5
253.04922	1.2
255.06734	1.5
257.04471	9.9
258.05215	1.0
259.05972	8.9
269.04413	1.2
271.05988	15.7
275.05484	13.3
283.05942	5.5
287.05493	19.2
289.07104	9.5
291.08679	8.6
299.05533	3.5
301.07050	10.8
303.08575	1.7
350.57562	1.0
360.80139	1.0
409.09213	21.5
411.10919	1.9
421.08545	1.3
427.10278	3.7
578.77393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33559	0.9
55.01880	2.6
68.99468	1.1
68.99791	5.9
70.06580	1.5
70.73064	2.4
70.73424	2.2
73.34201	1.0
80.13001	1.1
81.03407	4.3
81.82565	1.1
91.05466	1.6
93.03413	1.2
95.04990	1.9
99.04475	2.0
107.04955	2.2
109.02888	4.3
111.00813	2.4
111.04437	2.4
119.04937	2.4
121.02889	1.5
123.04425	44.3
123.05325	2.4
127.03914	100.0
131.04871	1.3
135.04422	29.6
135.05423	1.9
137.02350	4.2
137.05963	2.4
139.03899	49.9
147.04384	7.6
149.02362	3.2
149.05974	2.8
151.03908	8.4
153.05557	1.1
154.25800	1.1
159.04497	2.5
161.05988	4.2
163.03906	31.3
163.05247	2.2
165.05450	7.6
167.03378	8.0
169.06471	2.2
173.06030	3.5
175.03905	3.5
177.05475	4.3
179.03352	4.1
181.05040	1.4
187.03857	5.5
187.07477	1.3
189.05495	2.4
191.03391	8.7
193.04962	3.5
197.05971	3.7
201.05481	6.0
203.03357	7.0
203.07033	2.1
205.05013	1.9
207.06566	2.3
213.05370	1.4
215.07014	2.7
217.05098	1.5
229.04944	6.9
231.06554	1.8
233.04456	4.4
241.04956	1.4
243.06538	4.5
245.04460	6.1
247.06038	14.8
251.05539	2.4
255.06493	2.1
257.04468	11.5
257.41998	1.0
259.05911	7.8
271.06021	18.6
273.07590	2.1
275.05478	15.4
283.05896	6.6
287.05524	17.6
289.07077	13.3
291.08612	13.9
297.07507	1.2
299.05411	3.4
301.07047	9.2
303.08624	1.7
409.09174	18.8
411.10413	1.4
427.10141	3.1
433.11057	1.9
462.38217	1.2
531.53595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1343
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
53.03941	0.3
55.01842	0.3
67.01864	0.4
67.05466	0.3
69.03408	0.8
70.06595	0.3
70.74626	0.3
81.03403	0.8
81.07049	0.2
85.02892	0.9
87.00814	0.3
91.05445	0.3
93.07042	0.2
95.04961	0.2
97.02864	0.5
98.25957	0.2
99.04437	0.2
102.33344	0.2
105.03364	0.6
109.02877	0.8
109.10175	0.2
111.04468	0.2
116.12045	0.2
119.08546	0.2
122.03635	0.6
124.01592	0.2
127.03912	0.7
133.02838	4.8
137.05972	1.5
145.04858	0.2
147.04427	0.4
150.03111	1.7
151.03954	0.3
165.05463	4.4
167.03391	25.5
168.03745	0.4
175.03711	0.3
177.05370	0.3
184.03651	0.3
185.04475	0.2
193.04956	1.4
207.06554	0.2
217.04858	0.2
218.05775	0.3
219.06506	0.7
231.06622	0.3
246.05234	2.5
253.32704	0.2
270.05090	0.2
271.05991	0.5
273.04135	0.2
277.03354	0.2
287.05380	0.4
288.06277	2.8
298.04657	0.3
299.05557	0.5
315.04883	0.3
316.05753	25.4
317.06039	0.6
326.04123	0.4
331.08090	100.0
332.08478	2.8
341.06506	1.2
355.07916	0.3
493.13361	8.2
494.13504	0.3
535.14380	0.2
561.12207	2.1
579.13361	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	578.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22627	2.6
51.82070	3.4
52.24953	2.6
53.03936	6.4
55.05496	10.4
55.14188	2.9
57.03432	3.8
61.02920	6.5
67.05510	24.3
69.03432	27.0
69.07065	16.0
69.32896	3.0
71.01350	3.5
71.04998	4.7
71.59019	5.0
73.02917	5.5
74.06492	2.8
74.21210	3.0
79.05482	19.6
80.76558	2.9
81.03382	4.6
81.07051	87.7
83.04965	8.8
83.08603	7.7
85.02901	92.6
87.04468	3.2
91.03972	5.3
91.05479	17.6
92.05007	5.8
93.06478	5.2
93.07043	77.3
94.26871	2.7
95.01316	18.8
95.04951	9.4
95.08605	47.7
97.02887	25.3
97.10165	5.6
99.04444	6.6
102.98509	3.0
105.07017	11.3
107.08572	35.3
109.02875	6.6
109.10163	24.7
111.04414	11.4
111.11716	3.4
119.08548	8.2
120.04469	41.8
121.10136	100.0
123.11687	13.2
124.03946	4.4
127.03905	28.4
129.05455	4.2
130.06529	3.2
131.08531	5.2
132.04456	8.9
135.11699	18.0
137.13268	3.9
141.01825	60.1
145.04951	52.4
148.03960	3.4
149.09593	6.6
149.13248	34.0
150.05467	13.0
158.05928	3.2
159.02873	9.8
162.05559	3.9
163.05984	23.9
167.10776	3.9
177.03902	4.9
184.07520	7.6
186.05408	5.3
205.19496	17.7
212.07054	12.5
212.10440	3.5
230.08055	20.1
248.09239	8.9
266.10226	8.6
268.13147	4.0
295.15512	4.4
315.05032	10.2
316.05313	7.1
321.08328	6.2
414.18820	4.1
417.26013	3.7
499.11801	3.7
501.10571	3.3
560.23547	9.1
578.24567	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	577.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47287	1.1
53.03948	5.4
55.01873	6.7
55.05511	21.2
57.03423	6.5
57.07069	2.8
61.02910	1.4
65.03943	4.2
67.05503	47.8
67.91436	1.3
68.99796	2.4
69.03423	3.0
69.07069	25.7
70.63962	2.5
70.64329	2.5
71.04994	4.2
71.08617	1.5
74.65049	1.1
79.05492	42.8
80.06238	1.7
81.03419	6.0
81.07055	100.0
83.04987	6.6
83.08613	11.1
84.08190	1.4
85.02901	3.3
85.06549	4.7
85.46870	1.5
91.05476	42.6
93.07041	36.0
95.04977	11.1
95.08604	27.5
97.02894	1.9
97.06518	6.6
97.10180	3.4
98.98470	13.8
99.04438	1.8
99.08100	3.7
103.05476	1.6
105.07030	41.2
107.04974	6.0
107.08586	24.3
109.02920	2.5
109.06506	15.5
109.10153	12.9
111.04430	1.9
111.08076	5.6
115.05436	1.5
117.07019	11.7
119.08582	34.1
121.02875	1.8
121.06494	3.6
121.10139	24.3
123.04419	1.8
123.08076	7.0
123.11717	17.1
125.09629	2.5
129.07013	4.0
131.08577	12.5
133.06433	1.6
133.10135	17.4
135.08055	2.6
135.11725	8.2
137.02330	1.6
137.09644	4.0
137.13231	2.3
142.07666	1.3
143.08565	4.1
145.10127	10.5
147.08057	2.3
147.11685	40.1
149.02362	5.6
149.09590	6.8
149.13232	7.6
153.01802	13.6
155.01048	13.9
155.08563	1.5
157.10152	4.5
159.11655	8.5
161.13235	3.3
163.11189	4.8
163.14809	3.0
165.01843	2.7
165.12772	18.5
167.08519	1.5
169.10092	1.7
171.11761	1.5
173.13216	6.2
175.11183	2.8
175.14839	1.7
177.12737	1.6
179.14334	2.3
183.11722	2.0
183.13884	2.4
186.19705	1.3
187.11218	1.6
187.14867	2.0
193.04984	2.3
193.12167	2.8
195.13907	1.3
197.13271	1.4
201.12675	1.3
201.16374	1.4
209.11708	1.4
215.17924	1.4
217.05042	3.5
227.12764	2.7
229.04883	4.0
229.14348	3.2
229.19569	1.6
233.18951	1.2
239.17964	1.8
243.21045	3.8
245.04520	5.6
247.20653	2.4
257.04471	3.5
257.19025	3.6
258.19864	1.6
259.20505	2.1
261.22083	7.3
267.15897	18.2
269.04373	1.9
269.17371	1.7
273.03891	4.1
274.04758	1.7
275.20059	31.7
276.20459	1.6
277.21680	2.6
285.03961	3.6
285.16937	8.4
286.04712	1.9
291.19339	2.9
293.21112	4.0
299.05402	2.5
301.03378	10.2
302.04236	4.4
303.04971	29.1
313.03458	5.2
317.06372	2.3
327.04922	1.4
335.25699	7.8
337.07175	1.5
339.05045	4.0
349.23688	8.1
365.06650	3.3
377.06381	2.1
379.07803	2.4
381.09653	1.6
391.07907	2.0
395.11163	2.9
419.10968	1.4
485.32690	1.8
491.17200	2.5
503.17230	2.0
531.23444	1.5
559.23291	35.6
559.35883	6.2
560.23389	4.0
577.14374	2.8
577.24225	16.8
577.37653	11.2
578.24725	1.5
578.37018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
55.01871	15.1
55.05510	31.8
57.03435	10.4
57.07068	5.8
65.03926	4.4
67.05503	66.4
69.03419	4.1
69.07066	32.3
71.04972	8.2
71.08615	2.2
71.79918	1.8
79.05492	60.7
81.03419	15.4
81.07054	100.0
82.33582	1.7
83.04984	10.1
83.08617	18.5
85.02927	4.1
85.06531	8.0
85.32896	1.7
91.05477	56.1
92.98729	1.7
93.07040	58.4
95.04950	20.1
95.08601	47.8
97.06518	21.5
97.10162	10.4
98.98466	28.9
99.08097	4.9
105.07032	63.5
107.04953	15.6
107.08592	45.8
109.02879	4.0
109.06506	11.5
109.10155	18.8
111.04443	3.3
111.08080	6.5
113.06005	2.1
115.05443	2.1
117.07017	17.4
119.08567	43.8
121.06515	6.4
121.10139	37.7
123.08054	8.0
123.11697	19.9
125.09634	6.1
129.07013	7.5
130.96164	1.8
131.08559	19.1
133.06493	4.1
133.10127	25.9
135.08049	6.4
135.11702	10.4
137.09592	4.9
137.13228	3.2
139.11211	2.1
141.06937	2.0
143.08551	6.6
145.06483	2.3
145.10127	20.7
147.08041	3.9
147.11685	46.1
147.12813	3.7
149.09610	20.3
149.13249	11.4
150.03874	1.7
151.11154	3.2
153.01810	2.9
153.09145	1.7
155.01039	29.0
155.08568	3.7
157.10120	7.6
159.11688	13.2
161.09642	3.1
161.13251	8.0
163.11200	10.4
163.14847	4.7
165.12769	13.2
169.10184	2.4
171.11700	4.6
173.09612	2.0
173.13216	10.9
175.11188	4.4
175.14825	3.3
177.12737	4.1
179.14342	4.9
181.10066	2.1
183.04948	2.3
183.11725	3.8
185.13263	2.1
187.11165	2.9
187.14769	3.8
189.11191	6.6
191.10719	2.4
193.04924	1.9
193.12247	4.1
197.13261	2.6
203.21770	1.8
211.13181	2.7
211.14993	1.9
217.15884	1.8
227.12796	8.4
229.14250	4.8
229.19484	3.8
239.18152	1.8
243.21066	7.0
245.04536	1.9
247.20552	3.7
257.18954	7.7
259.20471	3.4
261.22168	17.6
267.15921	26.5
273.18494	4.3
275.20050	50.3
277.21652	3.0
285.16940	19.2
291.19492	7.1
293.21054	7.1
301.03445	5.9
302.04138	1.8
303.05066	10.0
303.07974	1.9
317.06281	3.3
317.24902	2.4
335.25821	17.3
336.25949	2.3
339.04843	3.8
349.23761	21.0
367.24750	2.3
423.27576	2.3
437.25287	2.3
461.29065	2.0
467.31375	1.9
541.35376	2.0
559.23553	12.2
559.36206	18.0
577.24268	5.5
577.36627	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	577.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83456	1.3
51.02377	1.4
53.03939	6.3
55.01869	6.5
55.05514	17.8
57.03433	7.5
57.07064	3.5
61.02916	1.9
63.39556	1.2
65.03934	3.1
67.05502	35.0
69.03423	10.1
69.07069	14.1
71.04987	6.0
71.29082	3.0
73.02921	7.1
75.04468	2.8
76.95952	1.2
79.05491	51.9
80.05838	1.2
81.03423	11.1
81.07056	46.7
82.07395	1.7
83.04987	5.7
83.08619	7.2
85.02908	8.6
85.06554	3.9
91.05477	43.5
93.07043	69.6
94.07381	1.5
95.04956	8.5
95.08598	29.7
97.02892	4.3
97.06527	3.9
97.10187	4.2
99.04457	5.5
99.08101	3.1
105.07027	50.5
107.04991	2.1
107.08595	35.1
109.02876	12.1
109.06543	2.4
109.10150	11.8
110.03680	3.1
111.04425	10.3
111.08084	3.5
115.05478	1.5
117.07015	15.4
119.08572	42.7
120.04485	5.3
121.06546	2.6
121.10144	31.1
123.08102	1.8
123.11736	3.9
125.09599	2.1
127.03889	6.8
129.07005	9.1
131.08565	19.4
132.99567	3.3
133.10115	36.3
135.08073	2.8
135.11684	22.9
137.02344	5.4
137.09659	2.9
137.13257	1.9
139.11186	1.7
142.07799	2.4
143.08582	8.9
145.10123	15.2
147.11690	37.8
149.09618	5.2
149.13254	16.2
152.35030	1.3
153.01820	2.6
155.08607	2.2
157.10095	7.5
159.11691	16.2
161.09663	1.6
161.13245	31.0
163.11168	3.6
163.14786	4.2
165.01886	1.4
165.12764	1.6
170.10864	1.4
171.11681	13.2
173.13272	10.6
175.11278	1.3
175.14796	11.9
177.12752	2.8
183.11592	1.9
184.07520	1.5
185.13246	11.1
185.75935	1.2
187.14786	3.3
189.12836	1.8
191.00117	5.0
199.14801	3.7
201.12692	1.6
212.07069	1.4
213.16406	4.4
217.15866	1.9
221.15370	1.7
227.12708	2.4
230.08153	1.9
231.17450	3.1
231.21059	6.7
241.19513	30.5
259.20575	78.3
265.21826	1.4
267.16144	1.4
275.20023	3.8
277.21628	8.0
301.21634	4.3
303.05197	1.7
315.05042	4.1
327.05002	2.1
333.24371	8.6
339.05133	2.4
349.23779	2.8
351.25284	100.0
352.25851	2.1
353.06580	2.8
375.25433	1.7
377.06552	2.5
395.11313	8.4
407.11276	3.6
419.56525	1.4
421.36276	1.5
431.19171	1.5
467.21503	1.7
491.17133	3.3
541.35327	1.7
559.23651	13.3
559.35529	1.5
577.24133	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	577.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62104	0.3
53.03911	0.7
55.01835	0.9
55.05504	0.4
57.03397	0.7
61.02900	0.3
67.05458	0.9
69.03432	2.4
69.03779	0.5
69.07036	0.4
71.04937	0.9
71.58313	0.6
73.02889	0.6
79.05453	0.6
81.03423	1.8
81.06998	1.0
83.04959	0.5
83.77288	0.3
84.08110	0.3
85.02898	3.4
87.00783	0.9
91.05438	1.4
93.07021	3.2
95.04922	0.7
95.08569	0.9
97.02881	2.1
99.04427	0.6
105.01837	0.4
105.06979	0.8
107.08576	0.7
108.05714	0.8
109.02872	1.6
109.10068	0.5
111.04401	0.8
115.03898	0.4
117.06962	0.4
117.17271	0.3
119.08535	1.2
121.02815	0.5
121.10137	2.2
123.08017	0.4
127.03908	1.6
131.08542	0.5
133.06505	0.3
135.04398	1.9
135.11711	0.3
143.08533	0.4
147.08041	0.4
149.09576	1.2
157.10124	0.5
159.02879	0.8
159.08032	0.4
208.10590	0.3
215.07040	0.5
225.05162	0.3
227.06885	0.4
227.18004	0.3
243.06519	4.0
253.04872	0.5
255.06551	0.5
271.05991	11.3
283.05695	0.4
285.07547	2.8
286.08261	2.5
299.05481	10.3
313.07037	10.2
314.07816	54.0
315.08167	1.0
329.10165	100.0
330.10614	2.3
577.35504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
55.05511	3.4
57.03431	1.6
58.03806	0.9
61.02927	2.4
67.05501	5.6
69.03432	8.7
69.07071	1.6
70.06596	2.2
71.05000	1.6
71.08631	9.3
71.57980	0.9
71.58398	1.0
72.08157	2.5
73.02905	1.2
81.03416	4.7
81.07068	4.3
82.07353	0.9
84.04532	0.8
84.08138	1.9
85.02901	8.0
86.06074	21.3
86.06601	1.1
86.09698	1.2
87.04475	1.4
91.05467	8.1
93.07053	6.8
95.04951	1.3
95.08601	11.1
96.08104	5.2
97.02892	5.7
97.06518	1.0
98.06043	1.4
98.09685	7.6
99.04456	3.2
99.08082	14.0
100.86301	0.9
105.07039	2.2
107.08575	1.6
108.08101	2.8
109.02876	3.3
109.10158	3.6
111.04440	0.9
113.05994	0.8
114.09159	1.3
116.10731	61.6
119.08580	12.1
121.10185	1.6
122.09676	2.3
124.07584	2.3
126.09264	0.9
127.03894	6.8
129.07005	0.8
129.10217	1.0
136.06175	4.6
137.09612	6.4
142.08630	5.1
142.12262	1.3
143.10669	1.6
145.04951	2.1
147.08084	2.6
159.11798	0.8
181.12260	1.0
183.10185	1.6
196.16991	2.3
201.11314	2.1
214.18024	22.3
236.20131	1.0
238.18015	1.6
243.12192	1.0
245.13791	0.8
254.21094	7.1
256.19141	4.7
261.13315	3.7
266.17627	0.9
280.19061	8.8
298.20129	7.5
316.21185	100.0
317.21820	1.1
373.71597	0.9
376.23273	3.2
396.27328	0.8
414.28503	12.0
477.23334	0.9
478.26492	24.3
576.34009	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	576.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
57.03438	0.3
58.42319	0.2
59.60982	0.3
60.04509	0.3
64.92336	0.2
69.03407	0.5
69.06511	0.2
70.05237	1.3
70.06589	0.5
71.04980	0.3
72.08154	2.1
72.77754	0.2
81.03415	0.3
84.04454	0.4
84.08129	0.9
85.02913	1.3
85.04066	0.2
86.09704	0.9
89.10805	0.6
91.05487	0.4
92.04979	0.4
93.05755	0.2
94.06566	5.4
95.11555	0.2
96.04485	0.5
97.02888	1.0
98.06062	0.4
98.97587	0.5
109.02856	0.2
110.06035	2.2
114.10295	5.5
115.08670	1.1
116.98666	0.3
119.04952	2.0
127.03938	0.5
130.08693	0.3
131.12857	0.5
138.05501	100.0
139.05806	0.6
139.08682	0.3
144.06523	0.7
147.04408	20.3
155.12924	0.3
156.11342	0.8
162.07570	0.6
175.04665	0.3
177.00781	0.3
191.03868	0.3
217.13293	1.7
218.11781	1.6
219.01848	0.4
229.11911	0.3
230.80530	0.3
235.14497	0.9
245.04893	0.3
248.74330	0.2
260.13947	1.8
261.02863	0.3
277.16608	4.2
301.16586	0.3
309.68164	0.3
319.17465	0.4
344.16086	0.3
393.19537	0.2
439.21887	29.6
440.22128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.05493	0.3
60.04506	0.2
63.02371	0.5
69.03434	1.0
69.47852	2.5
70.06590	1.9
71.04973	0.3
72.08161	1.1
77.09468	0.3
78.41040	0.3
81.03415	2.4
81.07052	0.3
84.04488	0.7
84.08147	0.8
85.02887	1.7
85.14778	0.3
86.09708	1.0
89.03910	5.4
91.05484	0.8
93.07041	0.5
95.05002	0.4
97.02890	0.7
100.02974	0.3
103.05447	0.5
106.04177	0.3
109.02869	0.7
110.07189	0.4
117.03375	16.3
119.04951	0.6
119.08524	0.3
120.08089	0.8
121.10157	0.3
127.03901	0.4
130.08713	0.3
134.03627	1.0
135.04424	1.5
145.02843	49.1
146.03162	0.8
147.04402	2.0
149.05978	6.2
158.05936	0.3
162.03117	0.3
163.03967	0.5
177.05461	100.0
178.05797	1.3
186.05460	1.1
195.06458	0.3
207.06442	0.4
208.06056	0.4
208.09824	0.4
220.09645	0.7
238.10727	17.4
321.09637	3.1
339.10843	1.6
576.28479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01376	0.5
53.03945	0.6
54.61518	0.4
63.02385	0.5
65.03945	1.4
68.05042	0.4
69.03425	1.5
70.06596	1.6
72.08157	0.5
77.03949	0.5
79.05495	0.5
81.03432	3.1
81.07044	0.5
85.02907	2.0
86.09713	1.7
89.03912	3.9
91.05473	12.5
93.07067	0.6
95.04973	0.7
97.02878	0.6
103.05474	0.7
105.06990	0.4
109.02889	1.3
117.03374	12.3
119.04937	26.6
119.08591	0.6
120.08125	0.7
123.04340	0.5
127.03905	1.1
134.03639	0.7
135.04387	1.5
137.05923	0.7
145.02838	38.4
147.04404	100.0
148.04761	1.3
149.06009	3.9
152.07048	0.6
157.04008	0.7
161.05995	0.7
163.03877	0.8
164.04578	0.5
165.95650	0.5
175.03906	20.7
177.05461	84.2
178.05759	1.5
179.07005	1.3
186.05484	1.0
190.08652	1.1
192.04065	0.5
207.06516	46.7
208.09677	29.3
238.10735	15.5
313.57205	0.6
321.09570	2.1
339.10641	0.8
351.10684	2.7
369.11652	2.8
415.13611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.7
55.01872	12.4
55.05506	57.1
57.03425	15.8
57.07059	3.5
59.04982	5.1
65.03933	6.0
67.05499	100.0
69.03402	7.8
69.07067	31.9
70.65101	5.8
70.65472	4.6
71.04984	20.2
71.08605	2.5
71.58221	2.4
74.33230	2.2
79.05489	77.9
81.02773	2.3
81.03403	10.7
81.07053	95.7
83.04980	12.3
83.08623	27.3
85.02898	5.3
85.06520	9.3
91.05474	72.5
93.07037	83.5
93.07627	4.3
95.04953	22.2
95.08603	69.1
97.06528	15.5
97.10147	24.4
99.08067	9.4
105.07024	56.2
105.31519	2.6
107.04938	11.3
107.08588	45.6
109.06531	17.1
109.10149	27.8
111.08083	8.1
113.25627	2.3
115.05463	5.7
117.07013	32.0
119.08573	49.2
121.06488	9.9
121.10137	32.7
123.08043	8.9
123.11697	11.3
125.09628	18.4
128.06174	6.6
129.07007	24.2
131.08553	49.5
133.06503	2.8
133.10130	35.4
135.08049	11.9
135.11647	19.9
137.09589	7.0
139.11182	2.5
141.06973	8.8
142.07759	5.7
143.08563	27.5
144.09308	3.7
145.06491	4.3
145.10117	34.2
147.08037	9.0
147.11711	20.3
149.09616	8.6
149.13239	6.6
153.12682	2.7
155.08484	15.0
156.09276	4.5
157.10127	26.3
159.08034	6.5
159.11668	27.3
161.09622	6.4
161.13258	6.9
163.11183	11.3
165.12764	3.2
167.08534	6.2
169.10133	17.7
171.11667	15.9
173.09615	8.5
173.11853	5.1
173.13223	20.7
175.11156	5.7
175.14735	2.8
177.12717	5.0
179.14351	3.1
181.10146	4.8
181.12259	4.5
183.11646	14.6
185.13240	9.7
186.82500	2.6
187.11168	3.6
187.14755	5.7
189.11234	8.4
189.12750	3.7
191.14349	2.9
193.12291	4.7
195.11636	14.7
197.13252	7.6
199.14864	10.5
201.12857	2.7
201.14696	3.0
207.11810	3.2
209.13292	6.9
213.16370	3.2
217.15878	3.6
219.13777	2.8
223.14919	5.0
227.12643	18.7
231.17447	3.5
243.17532	3.3
245.13869	3.5
259.20300	3.6
267.15854	6.2
273.18427	8.7
275.20035	20.1
283.20590	5.5
285.22119	6.8
287.20145	6.1
291.19479	14.7
297.22018	4.8
299.23654	10.5
301.21762	4.0
325.21631	3.3
335.23624	3.5
365.23669	3.1
371.26099	3.3
415.30197	5.6
421.25830	9.6
423.32211	2.9
431.27219	2.8
433.30917	20.3
451.32089	14.5
469.33182	8.0
499.34003	5.4
507.34457	9.4
517.35388	23.4
525.35797	43.2
543.36804	52.1
557.37762	15.3
575.38483	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	16.5
53.53552	4.1
55.01864	10.3
55.05503	28.0
57.03433	25.1
57.08016	3.5
61.02917	26.9
65.23533	3.2
65.69044	3.2
67.05502	69.6
69.03429	83.0
69.07058	21.9
69.59309	22.2
69.59718	5.3
71.01353	6.7
71.04990	19.2
73.02917	21.3
79.05489	51.6
81.03415	76.1
81.03862	5.7
81.07056	100.0
83.04975	40.8
83.08607	14.6
84.08170	3.5
85.02901	62.7
85.06521	5.0
87.04472	4.1
91.03961	18.8
91.05477	45.0
93.07043	83.9
95.04961	19.8
95.08614	34.3
97.02886	88.2
97.03518	5.1
97.06529	14.8
99.04459	21.5
99.08051	3.7
101.02363	14.4
103.03947	7.8
105.07026	28.3
107.04948	10.8
107.08583	37.8
109.02866	25.4
109.06548	8.9
109.10155	7.4
111.04424	28.3
111.08064	9.0
115.03897	6.8
117.07032	19.0
119.08595	21.6
121.06500	10.8
121.10143	32.9
123.08062	6.9
123.11715	7.5
127.03906	46.4
129.05499	23.0
129.06984	5.4
131.04938	4.8
131.08563	22.5
133.06485	4.4
133.10153	25.1
135.08041	8.1
135.11691	15.4
137.05893	4.5
143.08580	3.8
144.78069	3.3
145.04991	12.3
145.06480	3.9
145.10086	6.1
147.08038	4.6
147.11700	15.2
149.09634	11.0
149.13258	34.0
154.20061	3.4
155.08574	6.1
157.10124	4.2
159.08029	3.8
159.11716	19.7
161.13277	9.2
165.12753	4.5
171.11688	4.7
173.09645	4.6
173.13197	4.4
177.12746	17.4
179.14305	5.1
183.06586	14.4
185.13232	3.4
195.13777	39.7
201.07596	9.9
213.14899	13.2
219.13908	7.2
249.14842	5.6
261.14792	5.9
269.17441	60.3
275.16492	6.5
275.19940	5.6
292.63037	3.3
295.15417	3.4
297.17014	6.9
303.15787	6.3
321.16922	5.5
339.18094	15.2
349.23709	4.7
353.19669	3.8
377.19742	8.4
395.20746	21.7
413.21655	41.8
462.27231	4.2
575.26544	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	574.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.7
57.07057	27.4
67.05505	52.3
69.07059	9.6
71.04987	17.0
71.08630	21.5
71.57536	16.9
79.05477	16.3
81.07053	81.8
83.08586	12.2
85.10141	11.2
91.05483	16.9
93.07030	10.1
95.08597	24.8
105.07000	10.5
109.10138	9.5
123.11736	14.6
133.10110	11.0
193.59720	10.0
245.25742	8.7
247.45406	7.7
248.60823	7.9
301.20071	23.0
313.27338	33.9
338.26114	9.1
378.76947	9.9
481.38904	100.0
539.43018	42.3
595.41760	10.1
602.40179	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	575.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	19.3
55.01865	11.7
55.05507	24.8
57.03427	37.4
59.28556	4.5
61.02925	28.0
67.05505	76.7
69.03429	99.0
69.07062	16.0
69.63448	40.4
71.01334	11.4
71.04981	19.6
73.02908	22.6
79.05493	54.9
81.03417	82.7
81.07056	88.5
83.04977	52.4
83.08616	20.4
85.02896	68.1
85.06548	6.1
86.09682	6.2
91.03945	20.8
91.05473	58.2
93.07044	95.0
95.04977	33.7
95.08586	32.9
97.02885	100.0
97.06525	22.0
99.04436	21.0
101.02384	18.2
103.03918	16.7
103.05489	6.7
105.07011	42.3
107.04939	14.3
107.08595	36.9
109.02887	27.8
109.06508	9.5
109.10159	13.1
111.04442	29.7
111.08087	6.0
115.03912	7.9
117.07038	24.3
119.08596	32.1
121.06541	14.1
121.10135	47.7
123.04463	7.0
123.08023	9.7
123.11707	8.1
127.03922	46.9
129.05473	16.0
129.07018	12.2
131.08582	29.3
133.06535	7.4
133.10100	22.0
135.08069	11.7
135.11682	17.5
143.08572	6.7
145.04941	12.8
145.06454	8.7
145.10146	13.8
147.08087	6.5
147.11664	19.7
149.09621	21.0
149.13284	40.4
157.10052	10.5
159.07924	7.2
159.11702	40.1
161.09587	6.4
163.03932	5.8
173.13072	6.0
177.12775	33.9
177.14345	4.4
179.14458	5.1
183.06531	15.7
185.09625	5.2
195.13779	51.5
201.12686	6.1
213.14839	15.7
249.14989	5.3
257.18991	5.9
264.12076	5.4
269.17502	62.1
275.16412	5.6
297.17050	7.2
303.15921	7.7
339.18045	27.2
379.88660	5.6
395.20496	16.5
413.21643	67.5
575.27124	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	574.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78175	0.3
53.03952	0.6
54.57606	0.4
57.03433	0.4
65.03642	0.3
65.03955	1.3
69.03431	1.6
70.06586	3.0
71.04995	0.4
71.58508	0.5
71.58914	0.6
72.08170	0.8
73.02953	0.4
76.71066	0.4
77.03931	0.5
77.40430	0.3
79.05465	0.3
81.03418	3.8
81.07041	0.4
84.04504	0.6
84.08147	0.9
85.02906	1.5
86.09710	2.4
89.03933	0.4
91.05481	18.6
91.52716	0.4
93.07053	0.5
95.04973	0.9
99.04432	0.5
103.05484	0.4
105.03380	0.4
108.05724	0.4
109.02892	1.1
109.10181	0.4
119.04939	25.7
120.05288	0.4
120.08087	0.6
131.04947	0.4
132.02132	0.8
132.04443	8.8
133.02939	0.4
134.09837	0.4
135.04399	0.6
145.02881	0.5
147.04411	23.1
148.04788	0.5
149.02303	0.5
157.03993	2.2
160.03961	0.5
164.04727	0.6
175.03905	42.4
176.04297	0.9
178.04993	68.2
179.05281	1.2
179.07025	1.4
192.04112	0.7
199.18030	0.3
205.07115	0.4
206.04485	100.0
207.06525	88.4
208.06946	2.0
244.15443	1.0
293.70929	0.4
301.66373	0.3
351.10684	6.8
368.09671	1.4
369.11807	3.8
374.21622	0.6
470.76837	0.4
522.07733	0.3
574.15588	1.0
574.28632	0.6
575.20880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.2
53.30576	1.9
55.01875	29.7
55.05258	3.8
55.05507	38.5
56.03310	2.1
57.03428	9.6
57.07080	2.1
65.03931	8.5
67.05502	82.0
69.03445	3.5
69.07063	32.4
69.60719	14.4
71.04990	7.3
73.06531	2.8
77.03912	2.1
79.05488	100.0
81.03420	12.9
81.07052	79.6
83.04968	17.9
83.08620	14.4
83.92804	2.2
85.06519	4.5
91.05476	82.2
93.07034	77.4
95.04971	27.6
95.08604	40.6
96.68281	2.1
97.02886	3.3
97.06519	37.3
97.10159	15.1
103.05473	3.9
105.04501	2.4
105.07021	69.3
107.04954	30.2
107.08586	46.0
109.06514	14.0
109.10160	19.9
111.08082	7.3
115.05465	4.3
117.07011	21.0
119.08581	47.8
121.06503	8.3
121.10155	17.6
123.08083	10.7
123.11720	3.1
125.09638	11.8
128.06200	4.8
129.06996	18.3
131.08549	24.1
133.06461	3.2
133.10129	31.9
135.08055	7.5
135.11678	12.8
137.09586	4.8
141.07040	4.0
143.08565	13.8
143.12985	2.1
145.06425	2.8
145.10141	26.4
147.07991	6.2
147.11661	37.3
149.09605	34.7
149.13297	4.1
151.11215	4.3
153.06976	2.0
153.09077	2.8
157.10149	10.0
159.11667	13.6
161.09618	8.1
161.13240	14.3
163.11139	13.4
169.10152	5.6
171.11691	22.9
173.11859	2.5
173.13257	8.1
175.11192	4.3
179.10858	2.1
179.14360	4.7
181.10138	2.9
183.11728	4.6
187.11253	3.5
187.14825	3.2
189.11179	8.0
189.12784	8.6
195.11658	2.0
197.13383	3.1
207.13820	21.5
208.14244	2.2
227.12766	26.6
229.19545	2.8
239.17987	3.9
247.20656	3.9
257.18939	10.4
267.15872	2.7
273.18561	4.5
275.20044	82.8
281.17456	37.9
291.19571	6.1
293.21130	4.9
326.58978	2.2
331.22586	3.0
349.23676	21.0
377.23154	3.2
386.50955	2.6
451.27090	5.3
459.31531	4.0
555.36981	30.3
560.73022	2.3
573.37152	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	571.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.4
55.01876	15.3
55.05267	2.0
55.05508	26.6
57.03151	2.1
57.03435	30.0
57.07059	2.6
65.03933	7.3
67.05502	100.0
67.74381	1.7
69.03422	6.0
69.07063	20.8
71.04978	4.7
78.79837	1.7
79.05489	87.6
81.03418	15.9
81.07056	71.2
83.04988	16.0
83.08635	9.7
85.02893	2.5
85.06536	22.2
91.05478	83.0
93.03394	1.6
93.07037	77.3
95.01292	2.1
95.04964	84.5
95.08605	41.8
97.02859	2.3
97.06506	9.5
97.10158	4.3
103.05430	3.8
105.04492	2.7
105.07026	60.9
107.04955	22.8
107.08599	35.4
109.06510	80.7
109.10146	12.1
111.04434	2.6
111.08080	5.9
113.06005	47.1
115.05438	4.6
117.07012	27.2
119.08578	38.0
121.06482	13.8
121.10124	12.7
123.08022	11.7
125.09615	4.5
128.06223	6.3
129.06993	28.4
131.08568	29.8
133.06470	6.9
133.10130	20.0
135.08047	44.3
135.08806	1.1
135.11690	11.3
137.09586	2.3
141.06923	4.0
142.07782	3.4
143.08556	21.0
145.06479	5.7
145.10124	23.7
147.08057	14.0
147.11681	26.9
149.09645	9.0
149.13254	6.4
151.11203	2.1
153.09108	2.0
155.08540	5.0
157.10120	12.9
159.08032	5.5
159.11636	13.8
161.09608	15.2
161.13271	13.6
163.11168	5.1
165.09090	4.2
167.08543	3.1
169.10072	5.0
171.11687	19.2
173.09630	2.3
173.13274	7.6
175.11235	6.0
177.05579	1.6
177.12781	5.0
179.14322	4.9
181.10179	2.9
183.11678	5.1
185.09633	2.5
185.13266	4.5
187.11191	6.1
187.14830	2.0
189.11214	2.2
189.12759	8.5
195.11754	4.0
195.13637	2.7
197.13185	4.0
199.14830	6.9
201.12744	2.8
207.13832	14.9
217.15836	18.6
225.14883	3.7
227.17851	2.5
233.15475	3.0
237.16380	2.6
241.14372	4.9
245.18970	3.5
255.17453	7.1
257.19006	2.7
273.18469	49.2
275.20135	7.6
279.15891	17.2
281.17505	11.1
291.19519	96.8
309.20648	3.0
347.22272	9.0
365.23325	3.0
375.00186	1.9
401.76239	1.8
460.48611	2.1
527.33594	2.2
553.35443	10.3
571.36182	43.8
572.36566	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	571.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56738	1.8
62.62953	1.7
71.57903	3.1
84.08121	2.9
97.53139	1.7
98.97742	1.9
101.00923	4.6
107.01324	1.9
119.01898	26.2
130.08669	3.9
131.01920	10.5
133.03436	4.3
137.02971	7.3
143.01907	18.2
145.03444	12.2
149.02953	2.3
155.01901	13.6
155.02943	2.0
157.03484	6.5
161.01680	3.8
161.02950	32.0
163.04539	3.0
167.01961	5.2
168.99883	2.4
171.01439	2.4
173.02959	26.4
173.32143	2.1
175.04512	2.9
179.01938	3.1
185.02942	47.3
186.03123	1.8
187.00839	4.4
187.04553	4.0
191.03940	3.0
197.02975	16.3
199.04483	3.0
201.02388	2.6
203.04010	17.7
211.00491	2.1
213.02327	2.5
215.03944	11.9
217.02025	4.3
219.03369	2.3
221.05077	3.3
227.04013	8.3
228.05710	3.3
229.02005	2.4
231.03503	4.6
243.03716	2.2
245.05078	100.0
246.05177	3.2
247.02948	2.3
257.05060	6.0
259.02853	2.3
263.06171	13.7
275.02573	4.2
275.06137	11.0
289.03961	10.6
293.07187	5.5
305.07153	9.4
307.05164	11.4
313.62460	2.5
315.05081	2.6
319.05121	4.4
325.14383	2.1
331.05087	3.1
335.08298	6.0
349.06192	4.7
359.04370	2.8
365.09283	15.1
377.05579	2.6
391.07269	4.7
409.08578	3.0
511.11206	2.7
539.10889	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	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
59.62168	0.4
69.03421	0.5
69.90468	0.9
69.90863	1.1
79.05502	0.4
81.03415	0.7
81.07029	0.7
81.83514	0.4
83.04971	3.0
85.02862	0.6
86.09691	0.8
91.05470	1.8
93.07069	2.5
95.04990	0.5
95.91805	0.5
105.07031	0.5
111.04440	2.2
113.31860	0.4
115.76839	0.4
119.08562	0.7
119.36436	0.4
121.10133	1.1
124.99981	0.5
145.06604	0.5
149.09639	0.6
159.11621	0.4
184.07387	2.7
184.08768	0.5
185.04243	1.1
185.07704	0.9
259.07925	0.9
275.07416	0.5
314.85593	0.4
331.09933	2.6
345.11584	0.6
407.24121	1.0
441.21136	3.1
443.22589	0.7
499.21436	1.1
569.29285	100.0
570.21771	0.6
570.29694	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23380	0.7
62.35486	0.8
67.72695	0.7
69.57043	6.7
79.05482	1.3
81.07024	0.9
84.54828	0.7
89.23414	0.7
91.05499	1.4
93.07043	1.6
95.08633	1.0
98.20786	1.5
105.07003	1.1
107.08569	1.0
119.08575	1.1
131.08554	0.7
145.78877	0.8
153.79250	0.7
267.26593	0.8
381.07584	0.8
429.36710	0.7
569.40234	100.0
570.40564	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	570.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
56.05017	1.8
61.02910	0.7
67.05499	0.9
69.03400	2.1
69.07050	0.7
70.06595	14.2
71.03533	0.7
71.03887	1.7
72.08162	5.8
79.05531	0.6
81.03426	1.3
81.07047	0.7
83.06104	1.5
84.04505	8.0
84.08149	6.3
85.02919	4.3
86.09719	3.5
91.03942	0.6
91.05470	2.9
93.07047	1.2
95.04948	1.0
97.02888	1.8
97.06452	0.6
101.07139	2.3
102.05535	1.7
103.05461	2.2
105.07017	0.8
107.04943	0.8
109.02876	1.0
109.10226	0.8
110.07166	1.1
112.08729	0.7
115.05447	1.3
117.07022	0.7
120.08110	15.1
121.08427	0.8
124.03991	1.1
127.03940	1.2
128.06209	0.8
129.07014	7.4
129.10223	3.6
131.04903	1.1
131.08563	7.5
137.05963	2.6
138.09140	0.9
141.06989	4.3
143.04886	0.7
145.06448	1.4
157.06500	5.4
158.07245	2.7
159.08075	6.0
160.05196	0.9
161.06009	0.8
162.07718	0.9
167.07010	1.9
169.06480	2.5
170.07227	1.6
172.87794	0.6
174.06747	13.1
175.07550	2.8
180.08678	1.0
182.12889	2.9
183.11314	2.8
183.12834	0.6
184.11493	0.6
186.06799	2.9
187.07425	0.8
188.08276	0.7
189.09109	25.0
191.10669	2.4
200.13919	1.1
201.05585	0.6
201.09090	9.2
217.11824	0.7
219.10165	100.0
220.10519	1.8
231.11285	0.7
239.15002	1.0
259.11166	0.8
303.05035	9.5
308.91870	0.6
323.01630	1.3
328.81067	0.6
351.52313	0.7
377.02032	4.4
378.02316	1.0
395.02881	2.0
429.24988	0.8
478.78741	4.8
479.28500	1.8
479.78946	0.7
500.80414	0.7
503.05145	1.4
570.28693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60485	0.4
59.07132	0.3
66.91289	0.3
70.77077	1.3
79.05512	0.4
80.57780	0.3
83.04979	0.7
88.04964	0.4
91.05491	0.5
107.02084	0.4
111.04382	0.4
119.08616	0.6
129.07111	0.4
129.20227	0.4
155.69972	0.4
175.60194	0.3
185.04175	1.0
259.07990	0.4
327.24042	0.4
331.09930	2.2
407.24243	1.6
419.82608	0.4
427.47372	0.4
457.20547	2.1
471.22150	1.8
487.21063	0.7
569.29315	100.0
570.29694	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.8
57.03421	0.4
67.05486	0.6
69.03423	0.5
71.33403	0.4
71.33726	0.6
74.72947	0.3
79.05490	0.9
81.07034	0.6
83.04975	3.1
85.02901	0.6
85.10154	0.3
91.05464	1.2
93.07017	2.1
95.04976	0.3
95.08596	0.5
105.07037	0.7
109.02831	0.4
111.04439	2.5
111.48194	0.4
119.08572	1.0
121.10140	1.4
129.05455	0.4
130.28079	0.3
131.08501	0.5
133.06499	0.4
133.10086	0.5
149.09612	0.7
184.07301	0.5
185.04280	0.9
189.09149	0.4
201.03732	0.6
203.05263	0.9
217.04951	0.4
228.05034	0.4
249.16882	0.4
257.48941	0.4
259.07925	1.2
280.77472	0.3
295.15216	0.4
331.10098	1.2
407.23978	1.1
457.20435	1.3
471.21994	0.7
483.22058	0.7
487.21622	0.7
499.21475	0.4
568.47595	0.4
569.29272	100.0
570.29761	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59069	0.4
69.67384	0.4
70.86559	0.8
70.86965	0.7
77.61738	0.3
79.05520	0.5
83.01110	0.5
83.04968	0.6
84.73212	0.4
85.55157	0.4
86.63487	0.4
88.41204	0.4
93.07033	0.5
95.01104	0.5
105.88349	0.4
116.05994	0.4
117.53455	0.4
134.02583	0.4
161.56203	0.4
184.07347	0.5
185.04254	1.1
201.03754	0.7
203.05293	1.3
256.39194	0.4
259.07968	1.9
331.10132	1.3
407.23904	1.2
412.94879	0.5
457.20532	1.4
471.22092	1.8
551.28790	0.5
569.29291	100.0
570.30005	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49041	2.4
53.03917	3.6
55.05485	11.4
67.05473	8.9
69.07040	2.7
70.06580	4.9
71.59075	4.4
74.37469	2.4
77.92588	2.7
79.05454	9.9
81.03404	3.7
81.07021	9.1
83.04984	24.5
85.02874	3.5
86.09695	3.5
87.22276	2.6
91.05447	12.5
93.07011	14.3
94.52138	3.1
95.04950	5.3
95.08565	5.1
97.02882	3.9
105.07025	6.3
107.08561	4.8
107.84829	2.7
109.10107	3.7
111.04427	15.2
117.07001	4.1
119.08547	8.6
121.10128	5.3
125.78146	2.6
131.08524	4.9
131.58516	2.8
135.08014	2.7
136.06158	3.4
147.04385	4.0
147.07961	3.2
149.09512	3.4
156.56770	2.7
187.07530	3.7
276.15466	3.3
293.05475	4.0
303.96176	3.0
351.18240	4.5
406.10965	2.8
569.26868	100.0
569.35229	5.9
570.94531	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	568.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.5
57.07070	9.3
64.48455	3.4
65.04796	3.7
67.05493	14.6
67.56160	3.2
68.80993	3.1
69.03393	3.4
69.07056	15.0
70.08392	16.5
71.04994	4.1
79.05496	26.0
80.06245	6.6
81.07051	46.4
83.08591	8.4
85.06532	3.7
85.49075	3.4
85.65380	3.3
91.05476	40.5
93.07038	52.1
95.04982	39.9
95.08601	27.7
98.21391	7.0
105.07028	78.1
106.07825	5.4
107.08591	47.7
109.06546	5.0
109.10153	28.8
117.06998	30.7
119.08578	100.0
120.09308	10.2
121.10126	40.5
122.81224	3.8
123.08034	19.5
123.11694	5.3
128.06239	7.3
128.95821	4.5
129.06987	17.8
130.07753	10.9
131.08557	47.7
132.09341	12.5
133.10121	52.5
134.10936	5.3
135.08034	7.9
135.11678	20.9
137.09583	6.7
138.10388	7.9
141.06947	9.2
142.07788	21.5
143.08560	41.9
144.09328	14.7
145.10112	91.9
146.10915	5.4
147.11676	28.1
149.09628	4.7
149.13237	4.3
151.11191	6.4
155.08559	12.4
156.09348	14.0
157.10106	47.0
158.10881	10.3
159.11694	46.1
160.34665	3.7
161.09654	5.0
161.13216	8.9
163.11115	4.6
165.07016	7.0
167.08548	8.7
168.09337	7.2
169.10117	28.6
170.10878	13.3
171.11697	36.4
172.12488	7.3
173.13260	25.8
175.14824	23.8
177.12776	4.3
179.08524	10.9
181.10124	15.4
182.10896	7.2
183.11699	25.1
184.12419	8.0
185.13239	27.3
186.14009	6.0
187.14819	16.3
191.14307	12.9
193.10159	10.2
194.10883	7.0
195.11646	16.4
196.12415	7.9
197.13211	24.7
198.13998	6.0
199.14798	15.5
201.16411	11.0
207.11679	10.8
209.13232	24.4
211.14851	14.2
213.16338	7.8
217.15918	5.1
221.13266	5.4
222.13977	5.1
223.14751	11.5
225.16396	7.8
235.14804	9.1
237.16374	7.8
239.17863	6.7
241.19536	5.5
261.16507	3.9
263.17877	5.0
265.19360	6.0
272.21463	4.5
275.17889	4.9
323.23685	10.1
338.26047	47.4
362.25632	4.2
430.32117	14.7
455.09680	4.2
476.36237	17.0
568.42383	24.1
568.56592	12.6
592.08966	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	568.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
56.05037	0.8
58.06615	0.4
59.07377	0.2
60.08165	7.2
65.03939	0.1
67.05506	0.3
69.03458	0.2
69.45799	0.3
69.46207	1.1
70.06584	0.6
71.07373	3.5
73.02908	0.2
73.46305	0.2
77.83725	0.2
79.05510	0.3
81.07063	0.6
83.04989	0.3
84.08136	0.3
85.02943	0.2
86.09707	31.9
91.05484	0.4
92.44550	0.2
93.07062	0.5
97.77752	0.2
98.21541	0.3
98.98471	3.0
104.10744	5.1
104.11420	0.3
105.07007	0.3
107.08687	0.2
111.04436	0.3
119.08552	0.3
121.06509	0.2
121.10176	0.2
122.36532	0.2
125.00006	22.1
136.06175	0.2
143.01045	0.5
147.04427	0.2
179.75862	0.2
184.07343	100.0
185.07770	0.4
197.08167	0.3
207.29202	0.2
258.11127	0.2
378.86362	0.2
550.31073	1.2
568.23547	0.2
568.32355	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	568.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94539	0.3
55.05509	0.5
56.05023	0.7
56.32286	0.3
58.06600	0.4
60.08159	6.5
61.48567	0.3
67.05492	0.5
69.03400	0.6
69.07053	0.3
70.06583	0.8
71.07375	3.2
71.58688	0.5
76.72443	0.3
79.05486	0.6
81.03405	0.4
81.07037	0.8
83.04970	0.6
83.65945	0.3
84.04536	0.3
84.08101	0.5
85.02896	0.6
86.09702	31.9
91.05473	0.8
93.07037	0.7
94.07298	0.3
95.04961	0.3
95.08594	0.4
97.02878	0.3
98.98463	2.8
104.10741	5.1
105.07013	0.4
107.04895	0.3
107.08603	0.3
111.04386	0.3
119.08586	0.6
121.06410	0.3
121.10149	0.5
124.99999	20.7
137.06003	0.6
143.01045	0.5
145.10197	0.3
147.04408	0.6
152.05754	0.3
167.07086	0.5
177.05475	0.4
180.21281	0.3
184.07333	100.0
185.07634	0.6
242.46617	0.3
265.90332	0.3
280.42285	0.3
313.54993	0.3
411.98932	0.3
507.46341	0.3
550.31262	1.2
568.32587	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	568.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43469	0.4
56.05019	1.3
56.95348	0.5
57.05808	0.7
60.04519	2.2
62.49484	0.5
67.05501	0.8
68.05001	0.4
69.07068	9.7
70.06591	5.8
71.31747	0.4
71.57826	0.9
72.08139	0.6
75.05611	2.2
81.07049	0.7
82.05309	0.8
83.06097	3.9
84.04488	1.4
84.08138	1.0
86.09704	100.0
91.05467	0.5
93.04547	3.0
94.06552	0.6
95.06100	3.5
95.08575	0.6
98.09682	0.8
102.05534	0.8
105.23170	0.5
110.07162	62.5
112.03966	9.9
118.82845	0.4
130.05025	0.9
130.06554	0.7
133.10098	0.5
139.05051	1.4
140.06924	0.5
141.06648	0.9
143.11795	7.9
147.04425	1.1
156.07680	73.5
157.07747	1.0
157.09715	0.7
157.90616	0.5
166.06105	1.2
169.06100	3.3
175.08714	1.0
187.07216	0.9
223.15466	0.5
224.13966	0.7
236.13844	0.5
251.15042	2.6
251.99388	0.5
254.14984	2.5
258.20996	0.5
258.29123	0.5
259.11121	2.0
261.10855	0.9
269.16089	17.9
272.16074	8.1
279.06534	1.2
300.15558	20.7
358.21509	0.6
366.14282	0.9
375.14334	2.2
375.64899	0.7
385.24838	0.5
413.24088	2.0
550.29974	1.6
568.30884	24.4
585.40015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90995	0.3
53.03940	1.5
55.01860	1.1
55.05506	2.1
55.33990	0.4
57.03434	2.9
59.94025	0.3
63.12274	0.3
67.05508	2.2
69.03426	16.7
69.07058	0.5
69.66904	1.4
69.67312	1.0
70.06580	0.8
70.71133	0.3
71.01361	0.4
71.04984	3.6
73.02912	0.7
75.04481	0.8
77.03913	0.4
79.05062	0.6
79.05488	7.5
80.05017	3.3
81.03423	0.6
81.07043	4.7
83.04977	2.3
85.02898	8.8
87.04465	1.8
91.05474	7.3
93.07037	36.4
95.04961	4.9
95.08585	2.0
96.04490	2.4
97.02886	7.1
97.06494	0.4
99.04459	0.5
103.05435	0.5
104.96777	0.3
105.04519	0.5
105.07021	3.7
107.04922	0.5
107.08590	4.8
109.06505	0.9
109.10134	1.1
111.04455	2.0
111.08077	1.2
115.03914	2.5
116.06207	0.7
117.07023	0.6
119.08575	3.3
121.06512	1.3
121.10136	30.0
123.08071	0.8
123.11712	1.8
124.03945	100.0
125.04292	0.7
125.05992	0.6
129.05472	1.7
129.07001	0.6
131.08562	4.5
133.04971	0.5
133.07649	0.6
133.10095	0.7
137.05992	0.8
139.11192	1.3
147.04382	0.6
147.07997	0.7
147.11649	0.4
149.09613	10.6
149.10748	0.6
151.11113	0.5
161.09724	0.5
167.10670	1.6
175.05983	0.5
183.06511	0.5
189.07527	0.9
191.10690	1.4
201.07622	0.6
212.53979	0.3
242.14565	0.4
249.31693	0.3
272.76535	0.4
281.13824	30.9
282.14221	0.5
283.15500	1.7
295.15302	0.7
299.14804	3.2
412.31549	0.4
427.19434	2.3
445.20648	1.6
451.19492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
54.44025	0.5
55.01847	0.8
55.05506	2.4
57.03437	2.9
67.05496	2.7
69.03426	15.5
69.50158	3.9
69.50574	1.0
70.06579	2.0
71.04986	4.3
72.08138	1.0
73.02915	0.9
77.03957	0.7
79.05145	0.6
79.05499	7.1
80.04996	3.3
81.07052	5.3
82.44710	0.6
83.04966	1.5
84.04490	1.1
84.08133	0.9
85.02905	9.1
86.09686	1.4
87.04460	1.7
91.05473	7.9
91.69569	0.5
93.07039	42.7
95.04947	4.9
95.08595	3.1
96.04491	2.2
97.02889	8.4
97.06482	0.7
101.05976	0.5
103.05411	0.7
105.07008	4.6
107.04944	0.8
107.08591	4.9
109.06535	0.9
109.10165	1.0
111.04440	2.3
111.08060	1.4
115.03929	2.3
116.06248	0.9
119.04937	0.6
119.08556	3.9
120.08110	1.0
121.06518	1.4
121.10134	34.4
123.08080	0.8
123.11700	2.0
124.03947	100.0
125.05911	0.7
129.05460	2.2
129.06989	1.0
129.10159	0.6
131.08568	6.4
133.10106	0.6
135.03624	0.5
136.07571	0.7
137.05977	1.0
138.10887	0.5
139.11230	0.9
143.10677	0.6
146.99283	0.5
147.04422	1.2
147.08139	0.7
148.78229	0.5
149.09615	11.6
151.11150	0.8
165.05443	0.6
167.06976	1.1
167.10718	1.8
177.05475	0.7
177.09082	0.6
183.06512	0.9
189.07596	0.8
213.07591	0.6
225.07394	0.7
230.17728	0.6
263.12848	0.7
281.13828	36.3
283.15366	1.6
295.15460	1.3
299.14822	3.4
308.84317	0.6
317.89044	0.5
366.24387	0.5
386.60867	0.5
427.19748	1.9
445.20798	2.8
489.74997	0.6
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
55.05500	3.2
57.03421	7.8
67.05493	3.1
69.03426	33.1
70.06576	7.7
71.04982	4.9
72.08131	2.3
72.63297	1.7
73.02901	5.6
79.05483	13.4
80.01717	1.8
80.04983	3.3
81.03399	2.6
81.07037	7.0
83.04984	4.4
84.08118	3.9
85.02907	17.2
86.09695	5.6
87.04463	2.1
88.03954	1.8
91.05466	13.6
93.07042	69.5
93.07632	3.4
95.04958	6.6
95.08619	5.1
96.04440	2.3
96.29977	1.9
97.02894	21.0
98.20694	4.2
105.07013	8.5
107.08588	10.5
109.06503	2.6
111.04403	4.6
115.03925	8.0
119.08572	7.2
121.06520	1.9
121.10141	57.2
121.11030	2.9
123.08060	3.6
123.11662	2.8
124.03954	100.0
129.05487	3.9
131.08513	9.0
133.04892	2.6
133.10138	2.4
139.11171	2.3
149.09636	23.2
167.10686	2.4
177.05379	2.1
177.09148	2.0
189.07509	2.0
191.10619	1.9
207.74423	2.0
229.68353	2.6
281.13843	68.7
283.15387	3.5
299.14890	4.9
303.04993	12.8
304.05261	18.5
322.38354	2.2
406.46677	2.0
427.19620	3.8
445.20691	2.3
455.76550	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01867	0.9
55.05497	1.6
56.05012	0.5
57.03430	3.3
59.05007	0.4
60.04516	0.3
65.03939	0.6
65.44273	0.3
67.05491	1.1
69.03427	15.0
70.06588	1.8
71.01353	0.4
71.04997	3.0
72.08148	0.4
73.02905	0.4
75.04453	0.8
77.18143	0.3
79.05488	6.7
80.05015	2.5
81.03410	0.5
81.07047	4.5
83.04980	1.9
84.04508	0.7
84.08138	0.8
85.02901	6.9
86.09694	1.0
87.04456	1.4
87.04919	0.3
91.05482	6.0
93.07040	33.6
95.04973	4.7
95.08600	1.4
96.04475	2.4
97.02885	6.5
97.06515	0.8
98.21539	0.7
99.04445	0.4
103.05463	0.4
105.07024	4.5
107.04933	0.7
107.08584	4.3
109.06538	0.8
109.10152	1.2
111.04453	2.2
111.08064	1.0
113.06017	0.5
115.03922	2.2
116.06225	0.9
119.04905	0.5
119.08572	3.3
121.06461	0.9
121.10138	31.6
122.10473	0.8
123.04382	0.5
123.08079	1.1
123.11700	1.2
124.03948	100.0
125.04282	0.9
125.05976	0.5
129.05478	2.4
129.07021	0.9
131.08569	5.1
133.04962	0.6
133.10139	0.8
137.05969	0.8
139.11177	0.5
145.10098	0.5
147.08029	0.5
149.09624	10.6
161.09679	0.5
167.06941	0.5
167.10667	1.4
181.04903	0.7
183.06502	0.7
189.07608	0.8
191.10612	0.8
201.07648	0.7
221.11597	0.5
277.62411	0.4
281.13828	33.5
282.14096	0.5
283.15393	1.8
295.15372	0.6
299.14847	3.6
371.41605	0.4
409.18365	0.4
427.19489	2.2
445.21045	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97725	1.5
51.06197	1.4
51.53574	1.2
53.03939	2.7
55.01859	5.3
55.05497	5.1
57.03444	8.0
59.73141	1.4
61.02916	1.9
63.29666	1.4
65.03922	1.7
67.05500	3.1
68.93618	1.2
68.99795	1.5
69.03430	35.2
69.07061	2.3
70.06587	8.2
71.01340	2.5
71.04987	8.6
71.21482	1.2
71.58482	1.2
72.08136	2.7
73.02911	4.4
75.04478	1.9
79.05490	18.1
80.05036	2.4
81.03423	2.3
81.07050	11.0
83.04973	4.8
84.08131	3.8
85.02908	21.2
86.09694	6.2
87.04464	3.3
91.05480	17.6
93.07042	68.9
95.04977	9.2
95.08595	5.1
96.04469	3.5
97.02898	23.4
97.06512	1.9
99.04477	2.5
105.07032	10.8
107.04947	2.2
107.08578	11.5
109.06495	3.1
110.07162	2.2
111.04433	5.9
111.08100	2.6
115.03941	9.3
119.08574	7.6
120.25327	1.6
121.06507	3.2
121.10143	65.0
123.08047	2.9
123.11704	2.2
124.03952	100.0
129.05516	7.2
130.05034	2.4
131.08566	9.0
133.04956	3.2
133.10118	1.9
137.02318	2.8
137.05966	3.9
138.02657	2.0
139.03964	1.5
139.11186	2.8
147.04381	1.7
149.09633	23.9
152.05669	1.7
153.01834	1.6
163.11151	1.4
167.10646	2.9
173.09801	1.4
177.05521	1.6
183.06592	1.8
184.07339	1.5
189.07532	1.9
191.10526	2.1
192.09769	1.4
201.07600	2.4
205.55569	1.2
207.06525	3.0
213.38850	1.4
281.13840	78.8
283.15518	3.0
299.14819	6.1
303.05045	16.5
304.05359	27.7
315.04657	1.7
346.06299	3.2
354.06934	1.6
369.09634	2.1
370.06158	2.5
373.17792	1.9
400.07303	3.1
409.18567	2.6
427.19815	6.6
435.09418	2.2
436.09555	3.5
445.20520	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	568.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20481	1.8
53.03928	3.7
55.01862	3.7
55.05509	5.1
55.75917	1.6
57.03442	8.2
60.04521	1.9
60.88997	1.9
62.34804	1.5
64.64626	1.5
66.83906	1.9
67.05491	4.3
69.03078	2.5
69.03426	32.6
69.07056	1.6
70.06591	4.9
71.04990	7.7
72.08163	1.8
73.02914	8.3
75.04453	2.7
79.05496	15.8
80.05025	2.8
81.03438	2.4
81.07065	9.5
83.04997	6.6
84.08134	2.7
85.02895	19.5
86.09729	3.0
87.04459	4.3
91.05480	16.0
92.41400	1.8
93.07039	72.6
95.04955	6.7
95.08613	5.4
96.04481	3.8
97.02885	23.1
98.21272	9.6
103.05444	2.3
105.07045	7.3
107.08600	10.2
109.10160	2.6
110.07126	1.8
111.04432	5.5
111.08113	1.7
115.03934	7.3
119.08586	7.6
121.10134	64.0
123.08070	3.1
123.11691	4.5
124.03951	100.0
126.82906	2.0
129.05486	4.4
129.06996	1.9
131.08583	13.6
137.02335	1.9
137.05904	1.6
149.09610	22.1
167.10713	3.4
177.05598	1.9
184.07413	1.9
184.72734	1.7
189.07574	2.3
229.05013	2.4
229.66537	2.0
229.68686	1.7
230.39117	1.9
281.13828	68.7
283.15417	5.5
299.14850	5.9
303.04987	23.5
304.05374	30.2
345.11139	2.1
427.19592	4.8
436.09381	3.1
445.20508	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	568.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08116	0.8
60.44639	0.6
67.05457	1.0
70.06559	1.6
71.28812	1.1
72.08114	1.5
79.05473	0.9
81.03389	0.9
81.07024	1.1
84.04505	0.9
85.02877	1.0
86.09690	4.6
91.05416	2.3
93.07028	1.4
95.08574	1.0
97.02865	1.0
105.06959	0.8
107.04873	0.9
110.05967	0.8
110.07113	0.7
119.08553	1.0
120.08047	1.0
121.10122	1.4
124.99950	2.2
131.04904	0.8
136.06155	1.6
136.43884	0.7
137.05959	1.8
144.04387	0.9
146.05984	1.5
147.04395	2.3
152.07013	2.1
163.03745	0.7
167.07004	1.4
176.10692	1.1
177.05421	1.4
178.05928	0.8
184.07332	12.8
184.15941	0.7
194.08078	2.5
196.09892	1.3
202.08638	1.0
207.06392	0.7
209.10744	1.1
210.11426	1.0
223.12291	2.2
224.09344	1.3
225.10129	5.4
226.10918	1.3
235.08768	3.3
236.09413	3.0
237.10220	13.4
238.10995	2.4
239.11684	0.9
240.12596	1.7
241.13362	1.3
249.10205	11.9
250.10970	5.2
251.08249	1.8
251.11787	19.9
252.12537	3.4
253.09695	27.7
260.20721	0.7
261.10071	0.9
262.10895	1.1
263.08221	1.6
263.11774	2.0
265.09732	22.2
265.12778	1.3
266.10205	1.4
267.11276	8.6
268.12180	1.1
277.09720	4.2
278.10452	8.2
279.07678	5.9
279.11282	22.7
280.12003	6.2
281.09576	0.8
281.12823	2.5
282.09756	0.9
283.10837	1.7
289.09744	1.3
291.11215	1.4
293.09186	7.3
293.12817	7.9
294.10056	2.1
294.13327	0.9
295.10767	6.0
295.14404	4.8
296.11533	1.5
297.12354	5.8
299.13919	1.5
302.04166	0.7
306.10052	1.2
307.10760	4.1
308.11707	1.4
309.08786	1.3
309.12247	5.9
311.10229	5.0
311.13901	3.5
312.11044	16.0
321.12259	1.2
323.13806	2.1
324.10901	3.2
325.11786	15.1
326.12479	1.3
327.13382	67.7
328.13623	1.6
335.10175	5.3
336.11023	2.3
337.11990	3.8
339.13373	100.0
340.14188	4.2
341.14951	0.9
352.10303	1.8
353.11267	10.3
367.12866	85.0
368.13617	11.3
369.14316	1.1
385.13864	14.5
399.15503	22.9
400.16260	1.0
442.26566	0.8
504.17825	2.5
508.20807	2.8
536.20251	98.4
537.20459	1.8
554.21381	2.3
568.22772	15.0
568.30951	0.9
569.25299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.7
56.05028	0.5
57.05817	1.4
65.58962	0.5
69.55160	3.8
70.06578	0.9
72.08155	100.0
73.08489	0.7
83.05005	0.6
84.08154	0.7
85.02893	0.9
86.09709	0.9
91.05476	10.3
91.06010	0.8
98.06075	1.7
99.09206	0.9
103.05447	2.6
104.05015	0.6
104.10721	0.5
105.03399	2.9
106.06583	0.6
107.04953	0.9
114.09167	27.8
117.05799	0.8
118.06542	29.2
119.04980	2.6
119.07327	8.4
119.50535	0.5
120.08105	12.6
120.08946	0.8
120.87940	0.5
123.04486	0.7
124.01201	0.5
125.00031	0.9
127.08726	0.6
131.04951	0.7
131.08597	0.7
133.07617	0.5
134.06039	0.7
134.08363	0.6
136.07571	8.6
137.06004	1.3
137.51945	0.4
142.08630	12.9
146.06004	61.4
147.04466	1.0
147.06328	1.0
155.08604	0.6
160.11221	3.3
162.05475	2.4
165.05533	1.4
167.07156	1.1
167.08595	2.7
172.11237	4.6
174.12836	2.5
175.03963	0.9
177.05569	0.7
182.08118	2.8
184.07385	1.7
186.09221	1.3
189.13898	3.1
191.08643	0.5
194.33914	0.5
195.08089	1.1
200.10721	0.9
207.06610	2.1
208.11215	0.6
217.13364	16.9
219.08098	1.1
219.10132	0.9
223.07527	5.5
228.10341	2.6
233.12938	1.1
236.10674	7.2
236.12662	0.4
245.12865	43.0
246.13434	0.5
253.13303	0.8
254.11864	0.5
261.12329	6.3
261.15067	0.7
264.10214	0.7
265.08649	4.4
270.11325	1.4
281.14932	5.3
282.11282	7.2
287.13876	11.2
299.13937	2.6
307.12933	4.2
325.18762	0.6
327.13416	0.9
358.21274	5.7
369.17825	2.5
374.76285	0.6
381.18198	2.9
386.20715	2.5
398.20813	2.3
411.54111	0.4
426.20267	6.6
456.04495	0.5
468.21454	0.7
492.39465	0.6
567.28503	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2775
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
55.05495	1.1
57.11429	0.7
67.05503	5.2
69.03396	1.4
69.07040	0.7
71.59222	1.4
79.05479	1.6
80.66212	0.7
81.03403	2.9
81.07037	3.1
83.04967	1.9
83.08587	1.3
83.72250	0.8
86.09713	1.0
86.56899	0.7
91.05466	2.3
93.07024	2.2
95.08585	1.8
105.07024	1.9
109.10116	1.5
111.04408	0.8
113.04636	0.7
120.36058	0.7
121.10117	1.1
127.03896	0.8
145.10056	1.0
173.11671	1.1
174.31543	0.7
184.07285	3.2
196.60315	0.7
201.03583	0.9
203.05257	2.3
259.07849	1.6
307.15024	1.0
311.12274	0.8
331.10049	4.5
331.18918	1.0
373.14587	1.6
387.16385	0.9
387.21335	1.1
405.22452	1.4
455.18289	1.0
469.20346	6.1
549.26672	37.6
550.26758	1.4
567.27545	100.0
568.27765	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	567.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.05491	3.9
55.27584	0.9
59.04959	0.9
59.33057	0.8
59.95932	1.0
67.05499	17.7
69.03398	3.9
69.07053	2.9
71.04979	0.9
79.05462	3.5
81.03422	8.5
81.07066	8.0
83.04956	3.7
83.08598	1.5
85.02890	1.8
86.09689	2.3
91.05486	4.5
93.07036	6.7
95.04943	2.2
95.08596	2.2
97.02876	3.0
97.06516	0.9
97.10117	1.5
98.37639	0.8
99.04418	1.1
104.10709	1.1
105.07017	2.3
107.08564	3.1
108.46350	1.1
109.02823	1.5
109.10161	6.5
111.04414	2.6
117.06981	1.1
119.08560	2.4
121.10105	2.2
124.99944	1.4
127.03869	1.4
131.08577	1.6
133.10086	1.3
147.11678	1.3
149.13174	2.1
159.11639	1.4
173.11719	1.8
178.38107	0.8
180.12277	0.9
184.07297	3.8
185.04199	1.4
295.12988	1.0
299.14716	2.2
307.14978	1.3
331.10040	6.6
373.14603	2.0
387.16147	1.5
387.20840	1.0
405.21866	1.3
407.61401	1.2
455.18777	1.0
469.20236	10.4
549.26666	33.3
550.26892	1.4
552.04968	1.0
567.27509	100.0
568.28308	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	567.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.4
69.55225	2.8
79.05499	0.8
81.03411	0.5
83.04960	1.3
85.02908	0.7
89.91774	0.4
91.05476	0.5
93.07047	1.0
97.02911	0.5
98.21497	0.5
100.73052	0.3
105.07011	0.4
111.04455	1.1
119.08631	0.6
121.10124	0.6
127.03979	0.4
131.08582	0.5
147.11630	0.4
167.06973	0.5
168.97946	0.4
203.05302	0.9
217.24438	0.4
259.07922	1.4
311.05481	0.4
331.18839	0.7
339.04965	0.4
405.22455	2.8
567.27728	100.0
568.28052	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	567.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
60.18534	0.5
67.05507	1.1
68.23157	0.5
70.86522	1.0
71.10776	0.5
81.03381	0.5
82.65582	0.5
83.04969	0.7
91.30060	0.5
93.07063	1.1
94.23077	0.5
95.04939	0.6
121.10203	0.6
148.11153	0.6
185.04152	0.7
203.05232	0.9
235.36049	0.6
259.07950	1.9
387.16132	0.7
405.22446	1.3
540.31458	0.5
567.27679	100.0
568.28247	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	567.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
59.20417	0.4
63.98507	0.4
67.05492	1.2
69.03414	0.5
70.17713	1.0
70.18107	1.0
79.05479	0.6
81.03407	1.2
81.07050	1.4
83.04978	1.6
85.02930	0.5
91.05468	1.1
93.07036	1.4
95.04996	0.5
95.08619	0.5
97.01901	0.5
97.02901	0.6
98.20698	0.5
107.08596	0.4
109.10155	1.3
111.04430	1.7
115.24687	0.4
119.08604	0.5
121.10142	0.8
129.24904	0.4
136.72031	0.4
139.46860	0.4
147.07997	0.5
185.04219	0.9
201.03836	0.6
203.05261	1.9
215.70354	0.4
258.69736	0.4
259.07901	1.2
296.08112	0.5
331.09967	1.1
359.13223	0.6
376.28336	0.5
387.16299	0.6
401.17688	0.7
405.22525	1.3
469.20605	0.6
524.00946	0.5
567.27667	100.0
568.27863	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.3
67.05499	1.4
69.07055	0.7
70.06564	0.7
70.13126	0.4
71.04978	0.6
71.58904	0.6
79.05488	1.7
80.10191	0.4
81.03412	1.2
81.07043	1.5
83.04974	3.8
85.02895	0.9
86.09711	0.6
91.05493	2.0
93.07051	2.8
95.04961	1.0
95.08581	0.8
97.02863	0.9
105.07014	1.0
107.08594	0.9
109.02901	0.7
109.06513	0.7
109.10139	0.7
111.04437	2.5
119.08540	1.1
121.10123	1.3
123.11734	0.5
129.05496	0.6
137.05946	0.6
145.06676	0.5
149.09624	1.0
177.05557	0.5
184.07382	1.1
203.48154	0.5
280.09851	0.5
323.16223	0.6
405.22461	2.3
513.11249	0.6
567.27765	100.0
568.28125	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	567.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
54.15266	1.9
55.01846	2.6
55.05494	3.4
56.20166	1.9
58.00832	2.3
58.16644	2.2
65.03933	8.9
67.05489	5.3
69.03422	2.3
69.07069	2.7
70.06578	7.0
71.58244	3.8
72.08154	2.9
78.04726	2.4
79.05494	14.8
81.03384	3.0
81.07039	7.4
82.04199	2.3
83.04961	2.4
84.04477	3.0
84.08155	3.2
85.02905	5.2
86.09666	5.5
89.03920	2.5
91.05476	31.5
93.03394	3.0
93.07033	8.0
95.04958	8.6
95.08595	5.1
97.02900	4.4
103.05453	8.9
104.10696	4.1
105.07052	15.6
107.04946	16.3
107.08555	3.1
109.06540	2.1
109.10130	2.8
109.11370	2.2
110.03635	7.8
111.04438	10.7
115.05457	8.9
117.07080	2.8
118.04141	4.9
119.04935	38.6
119.08572	3.5
120.08121	2.6
121.06481	5.7
121.10133	3.7
122.03657	3.5
123.04412	8.6
124.05222	6.1
124.99972	3.1
125.05969	9.9
128.06219	4.4
129.07007	10.2
131.04907	7.1
132.05740	3.5
133.02798	5.6
133.06493	9.9
135.04424	3.3
137.05969	29.0
141.06961	3.5
144.05641	3.6
145.06459	4.6
147.04405	34.8
147.08040	5.8
149.05986	5.7
151.03876	6.5
151.07544	3.4
152.04648	2.8
153.05453	35.9
159.08023	12.9
160.05162	3.1
161.06013	15.2
162.06718	2.8
162.84822	2.2
163.07498	5.1
165.05554	3.9
165.06941	2.2
167.07030	100.0
169.06485	2.7
172.05269	3.5
174.06673	3.6
175.03903	31.5
175.07526	24.0
177.05469	9.7
178.07761	4.2
179.07010	9.4
179.08449	3.0
181.04942	5.0
184.07362	8.9
187.07541	22.9
189.05394	6.1
189.06894	4.5
189.09114	7.0
191.06998	11.4
191.08463	3.7
193.08588	2.4
197.05775	2.8
199.07515	8.1
201.09079	4.1
202.07779	3.8
203.08521	6.4
205.06535	5.7
206.07184	4.0
207.06516	55.8
207.08356	3.4
215.08685	3.1
217.06430	2.6
218.07225	5.8
219.08020	9.3
219.10185	17.2
220.08771	3.5
221.09616	3.9
231.08031	5.3
233.06006	3.2
233.09529	4.3
234.06696	3.7
235.07550	8.7
236.08412	3.3
237.09184	3.0
245.05969	2.7
246.06573	2.8
247.07457	6.5
248.08269	5.4
249.09087	9.8
250.09773	4.1
251.10669	4.6
260.08453	2.5
261.05402	3.7
261.09055	9.0
262.06467	3.2
263.06854	2.9
263.10837	4.9
264.07990	3.3
265.08612	6.6
273.08945	2.9
275.06970	3.0
276.07776	12.0
277.08603	8.6
278.09296	4.5
279.10031	2.5
281.11670	7.6
289.08655	7.4
291.10019	7.0
292.07083	3.2
293.08084	5.3
303.09888	2.6
306.08765	4.2
307.09622	18.8
308.10324	3.9
309.11179	9.3
319.09705	12.7
321.11203	7.8
322.80029	2.4
323.12756	7.8
339.12262	46.1
341.13861	11.4
351.12268	28.6
353.13840	8.4
378.63327	2.4
391.02612	3.0
567.21722	4.3
567.29425	4.8
567.37390	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	567.1338
Annotation	Quercetin 3-apiosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
55.01862	2.4
55.05514	1.6
56.99903	1.7
57.03442	8.0
58.09952	1.3
61.02933	2.6
62.58543	1.3
69.03420	6.6
70.06589	2.1
72.08156	1.6
73.02906	5.8
79.08327	1.3
80.42236	1.2
81.03419	2.2
83.08600	1.8
84.08172	1.3
85.02923	6.6
85.10444	1.2
87.04492	2.4
87.31311	1.5
93.07061	2.0
97.02892	5.7
100.11266	7.5
104.18019	1.6
107.04926	1.8
111.04488	1.4
114.09148	1.6
115.03925	5.3
121.02828	3.4
122.36909	1.2
127.03870	1.5
133.04993	5.7
136.06190	1.9
137.02342	5.6
137.06003	2.2
145.02907	1.7
152.05693	1.6
153.01822	3.9
163.03928	2.9
165.01909	2.7
177.05534	3.8
182.15404	1.4
196.16991	2.8
201.05600	1.8
229.04997	5.1
257.04520	3.8
285.78198	1.7
303.04987	100.0
315.04965	11.9
327.04895	2.3
329.06595	2.1
341.06833	1.5
345.05981	8.3
353.06750	2.4
369.06070	7.4
381.06070	4.2
399.07242	13.4
417.08151	3.7
435.09363	10.7
490.88812	1.6
492.86630	1.5
522.02478	1.6
548.41846	2.9
566.42523	8.3
567.29224	1.6
567.43066	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	567.1342
Annotation	Quercetin 3-apiosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
55.01863	1.6
57.03437	7.0
60.62410	0.5
61.02915	1.5
67.05464	0.7
68.99793	0.8
69.03432	6.2
70.06583	2.2
71.01323	0.7
71.58654	1.0
72.08164	0.7
73.02918	13.8
81.03381	0.9
84.04028	0.5
84.04503	0.9
84.08128	0.7
85.02899	3.8
86.09679	1.7
93.07037	0.6
97.02892	14.0
107.04966	0.8
109.02854	0.8
110.07158	0.5
111.00780	0.8
115.03941	5.9
120.08105	0.6
121.02835	1.2
123.04385	0.8
127.03904	0.8
129.10214	0.6
133.04924	1.0
137.02332	3.7
137.05988	1.5
145.02847	0.5
147.04420	1.0
149.06013	0.8
151.03935	0.6
153.01822	3.9
153.05400	0.6
161.05960	0.9
163.03917	0.6
165.01859	2.3
167.07094	0.5
177.05452	0.9
181.08688	0.5
183.02921	0.8
184.07222	0.5
187.03857	0.5
201.05438	1.7
211.06015	1.5
216.18175	0.4
229.04999	3.3
229.06963	0.7
247.05972	0.6
256.44330	0.6
257.04401	3.2
274.04645	0.6
274.97769	0.5
277.75372	0.5
285.03958	1.9
287.10242	0.8
303.04987	100.0
304.05341	1.0
315.04932	2.2
319.04550	1.4
327.05130	1.0
345.06049	3.2
345.09766	0.6
353.06390	0.9
369.06082	1.3
381.06107	1.1
399.07004	3.0
417.08185	1.1
435.09201	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	567.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34472	5.6
69.03419	8.7
71.57396	10.3
71.59987	4.8
72.39926	4.8
73.02902	8.0
83.05017	5.5
84.04465	6.3
85.02894	7.1
90.58263	5.2
97.02881	17.4
98.97539	8.7
116.98607	20.3
119.01900	6.5
121.72484	4.5
134.99646	23.5
138.05472	13.3
177.00981	10.0
179.00745	5.7
192.98662	5.2
208.00037	5.2
219.02058	8.0
221.01640	6.2
232.96729	6.0
235.00021	10.3
258.99908	25.5
260.00168	6.2
260.99902	8.5
261.03033	26.9
262.03128	10.0
263.02939	5.9
274.97726	32.4
275.97980	8.5
276.97595	20.3
277.00937	42.6
278.00940	10.0
279.00867	14.1
283.00150	35.3
284.99905	16.4
287.21628	6.1
292.98764	14.0
294.98553	7.1
298.97662	9.0
299.97855	8.9
300.97495	18.4
301.00934	100.0
302.01157	22.8
303.00861	21.8
316.98972	37.0
317.98950	14.9
318.98575	40.6
319.01953	10.5
358.96527	8.4
401.01093	9.6
402.00937	7.7
403.01038	12.1
404.01083	7.0
414.70544	7.1
418.98880	11.9
425.01434	14.6
441.99423	7.5
442.97900	7.8
443.02155	39.2
444.01395	5.9
458.99887	11.2
459.99805	7.2
460.99847	46.5
525.00323	7.4
543.00415	14.7
549.01221	19.2
567.02063	32.8
584.99725	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	566.309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
55.05500	0.5
55.70086	0.2
56.05032	0.9
57.03441	0.3
58.06375	0.2
58.06624	0.5
60.08160	7.0
67.05492	0.8
69.03423	0.4
70.06592	0.9
71.07365	3.4
71.58212	0.3
72.08160	0.4
79.05502	0.6
81.03416	0.5
81.07075	0.9
83.08600	0.2
84.04524	0.2
84.08166	0.3
85.02910	0.7
86.01761	0.2
86.09702	32.3
89.03921	0.2
91.05489	0.9
93.07040	0.8
95.04977	0.6
95.08630	0.3
97.02873	0.3
97.06516	0.4
98.98460	3.2
100.11275	0.4
103.05510	0.3
104.10741	4.4
105.07039	0.3
107.04958	0.5
107.08607	0.5
114.09169	0.2
117.03387	0.5
119.04923	0.3
119.08543	0.4
120.08112	0.2
121.10154	0.3
122.03646	0.2
124.99998	23.1
127.03905	0.2
131.04924	0.3
131.08542	0.2
133.10146	0.2
136.06175	0.4
137.05966	1.7
137.09616	0.3
143.01067	0.4
145.02820	0.6
145.10081	0.3
147.04398	0.6
149.05957	0.4
149.09569	0.2
151.07549	0.3
157.10184	0.2
159.11708	0.2
160.05061	0.2
161.06018	0.2
163.07535	0.2
165.05493	0.2
167.06990	1.2
175.07516	0.2
177.05496	1.4
177.08772	0.2
181.04947	0.4
184.07330	100.0
185.07672	0.6
207.06410	0.3
219.10094	0.4
258.10962	0.4
259.09625	0.7
259.44159	0.2
262.65668	0.2
265.08286	0.2
288.05707	0.2
291.10138	0.2
293.41550	0.2
308.14954	0.3
339.12088	0.3
376.39359	0.2
444.23798	0.2
548.30048	0.9
555.34338	0.2
566.21783	0.3
566.30640	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	566.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	5.1
57.03436	4.9
61.02906	2.6
67.05495	3.5
69.03421	4.9
69.07069	7.5
70.06601	14.7
70.38507	6.6
70.38915	3.7
71.04993	4.5
72.08157	6.2
73.02918	3.5
76.02235	6.2
79.05488	4.5
81.07059	8.2
84.04505	9.8
84.08122	6.8
85.02913	23.8
86.09707	8.8
89.98784	2.8
91.05482	7.8
93.07047	8.8
95.01298	4.9
95.08591	8.0
97.02881	10.3
98.09669	4.6
98.21417	3.6
105.07035	11.3
107.08620	7.4
109.10143	8.7
114.05528	4.7
116.01655	6.2
117.05568	2.9
119.08582	33.4
120.08067	2.6
121.10133	6.7
121.14217	2.6
124.03967	5.5
125.33710	2.4
127.03922	7.4
129.10281	2.6
131.04924	3.1
133.06439	3.8
133.10115	32.3
135.11716	2.6
136.07552	5.3
137.05983	11.2
141.01828	14.3
142.05011	3.9
145.02885	4.1
145.04927	9.3
147.04402	3.9
149.13231	2.5
156.08437	3.4
156.10190	3.5
162.02277	3.3
163.06042	3.1
167.03369	4.2
167.07014	7.3
168.07408	3.6
175.14830	100.0
177.05411	3.9
193.15880	10.6
198.72649	3.0
219.10287	3.9
259.11133	23.6
404.14789	4.5
404.20267	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	565.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70750	1.4
53.03946	2.8
55.05501	9.2
57.07067	5.5
59.04983	2.9
65.03925	3.0
65.13963	1.5
66.82307	1.4
67.05502	16.5
69.03423	4.9
69.07059	13.0
79.05486	15.0
81.07055	18.3
83.04990	4.1
83.08619	5.4
85.06547	3.1
89.23833	1.5
91.05477	22.8
92.57780	1.4
93.07035	33.8
95.04980	8.9
95.08596	20.5
97.06541	3.9
97.10213	1.8
103.05477	3.8
105.07024	53.1
107.08582	28.2
109.06505	7.5
109.10143	18.1
115.05437	3.3
117.07028	11.7
119.08569	54.3
121.06507	3.1
121.10132	38.1
123.08048	10.4
123.11705	6.7
125.05988	2.2
125.09631	2.2
128.06219	8.3
129.06992	9.7
130.07790	4.1
131.08545	21.4
133.07649	1.4
133.10118	35.0
135.08060	4.7
135.11699	12.4
135.50447	1.6
137.09656	4.8
141.07019	5.8
142.07758	17.6
143.08548	25.3
144.09361	5.9
145.10104	36.9
147.08012	8.0
147.11678	14.9
149.09636	6.0
149.13248	1.6
151.07574	4.5
153.07004	4.4
154.07765	3.3
155.08521	11.3
155.10564	2.1
156.09323	11.0
157.10121	36.8
158.10899	5.6
159.08040	3.0
159.11658	17.0
159.12665	1.6
161.09621	1.6
161.13286	7.0
163.11177	3.5
165.07016	4.7
165.09096	11.6
166.07776	3.1
167.08504	8.5
167.10643	14.9
168.09357	6.1
169.10107	18.1
170.10970	6.3
171.08003	1.8
171.11682	21.6
173.09650	3.0
173.13206	16.7
175.11182	2.2
175.14774	7.7
178.07820	2.3
179.08521	13.6
180.09384	6.1
181.10117	11.5
181.12267	4.8
182.10904	6.4
183.11700	17.1
184.12509	2.9
185.13263	18.3
187.11220	2.0
187.14842	8.5
189.12798	3.3
192.09386	4.7
193.10106	9.6
194.10941	5.5
195.11707	15.4
196.12473	3.5
197.13217	15.6
199.14830	11.4
201.12906	1.6
201.16444	4.2
203.14305	4.2
205.10051	2.8
205.15962	1.9
206.10957	5.6
207.11723	12.2
207.13824	4.6
208.12480	5.8
209.13255	18.7
210.13998	2.7
211.11130	1.6
211.14847	12.6
213.16417	3.5
215.14297	3.5
217.10179	4.5
217.15924	1.8
218.10956	3.1
219.11768	5.2
220.12448	4.2
221.13246	11.5
221.15413	19.7
222.14006	2.0
223.11180	1.9
223.14763	8.5
225.12770	1.9
225.16400	5.6
227.32478	2.1
229.10150	1.7
229.79143	2.6
231.11697	5.4
231.17569	2.7
232.12434	2.5
233.13268	8.9
233.15414	3.8
234.14015	3.3
235.14789	9.1
236.15610	2.2
237.16325	8.2
239.17989	5.8
243.11859	2.8
244.12442	2.5
245.13318	5.7
246.14153	2.9
247.14877	6.1
249.16444	5.1
251.17947	8.4
253.19458	3.3
257.13385	4.5
257.18881	2.1
258.14163	3.9
259.14929	3.2
260.15546	1.7
261.16324	8.9
263.17871	7.9
265.19540	8.9
269.18979	1.9
271.14935	3.1
271.20505	1.9
272.15558	2.4
273.16345	3.7
275.17966	6.2
277.19562	4.6
283.20566	2.4
287.17737	2.7
289.19519	3.8
295.20493	2.0
299.17789	2.2
301.19351	3.7
303.21033	1.9
307.20709	1.8
311.17905	1.7
313.19574	2.9
317.22589	3.5
317.30768	1.9
329.22803	2.3
331.24243	5.0
333.22000	1.6
341.22699	3.4
343.24152	2.5
345.25980	2.7
347.23807	2.6
355.24509	1.7
357.25833	3.8
365.24792	3.9
383.27408	1.9
385.29028	2.2
425.22400	1.9
425.27988	2.9
473.34314	7.9
491.33432	2.0
505.37213	1.8
547.39447	13.4
565.40399	100.0
566.40912	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.05503	0.7
57.03414	0.5
60.04511	0.4
63.02376	0.8
67.05507	1.2
69.03418	1.7
69.07066	0.6
70.06587	1.5
71.05002	0.7
71.58039	0.7
78.04704	0.6
79.05481	1.3
81.03425	2.9
81.07044	1.3
83.04962	1.0
84.08157	0.6
85.02901	1.6
86.09699	1.2
89.03921	6.2
91.05479	2.9
93.07033	1.9
95.04950	1.4
95.08600	0.7
97.02889	1.0
97.06531	0.4
97.40526	0.4
99.08083	0.5
105.07017	0.7
106.04181	0.5
107.04925	0.9
107.08591	1.4
109.02873	0.8
109.06546	1.0
109.10155	1.1
111.04453	0.6
117.03379	19.9
117.07045	0.7
119.04926	0.4
119.08607	0.7
120.08080	0.8
121.06529	0.8
121.10133	1.3
121.85825	0.4
123.08103	0.4
124.53738	0.4
125.05943	0.6
125.09720	0.5
129.20331	0.5
131.04944	0.6
133.10118	0.7
134.03612	1.5
135.04433	2.6
135.05283	0.4
135.11775	0.5
137.06001	1.9
145.02852	49.7
146.03169	0.6
147.04343	0.8
147.11691	0.5
149.05997	7.3
149.09624	2.3
149.13246	0.7
151.03893	0.6
152.05644	0.4
163.03932	0.7
163.14780	0.7
165.56403	0.5
167.07080	2.5
173.06032	0.6
175.07481	0.5
177.05475	100.0
178.05902	0.9
181.04973	1.6
184.07336	0.4
186.05521	1.8
191.14328	0.9
195.06490	1.3
207.06496	0.8
209.15411	1.8
321.09497	2.7
339.10715	3.3
369.42630	0.5
381.37881	0.4
488.39236	0.5
565.20660	1.3
565.37634	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	565.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
57.03405	0.6
61.02919	0.4
67.05488	1.2
69.03426	0.9
69.07075	0.7
70.06598	0.7
71.04979	0.7
71.34184	1.0
79.05493	1.4
81.03409	2.5
81.07053	1.9
83.04958	0.8
85.02899	1.3
86.09691	1.1
89.03914	6.3
91.05487	3.9
93.07024	1.0
95.04973	1.1
95.08607	1.0
97.02881	0.7
99.04416	0.6
102.75452	0.5
103.05465	0.6
105.07015	1.2
107.04938	0.6
107.08601	1.5
109.02891	1.0
109.06510	0.6
109.10178	0.9
111.08057	0.6
117.03380	18.1
117.07031	0.7
119.04955	3.2
119.08588	1.1
120.08128	0.6
121.06500	0.7
121.10146	1.1
123.11816	0.5
131.04904	0.9
131.08533	0.6
133.10146	0.7
134.03627	1.1
135.04387	1.9
135.08046	1.0
137.05988	1.2
137.09528	0.8
145.02840	42.7
145.10097	0.6
147.04439	3.0
149.05983	7.1
149.09595	2.3
159.47035	0.4
161.06026	0.9
163.03967	0.7
167.07031	1.5
173.13219	0.5
175.03920	4.4
175.07582	0.5
177.05464	100.0
178.05850	0.8
179.06982	0.5
181.05009	0.5
186.05569	1.7
191.14252	1.1
195.06499	1.1
197.11731	1.0
207.06516	10.1
208.09743	0.4
209.15358	1.9
212.26393	0.4
225.82773	0.5
307.09576	0.5
317.10068	0.8
321.09781	2.7
339.10638	3.6
501.91174	0.5
565.28308	0.6
565.36938	1.3
582.81451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1547
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
50.74599	1.5
50.79271	1.5
56.70456	1.5
57.03433	3.5
69.03422	5.3
69.29566	4.9
69.29982	13.5
71.04995	9.4
73.02895	5.7
82.02081	1.5
83.04984	2.2
85.02907	17.4
97.02881	4.6
98.21546	3.7
120.47635	1.7
121.02858	3.9
129.05466	3.7
136.02057	1.6
137.02312	2.1
142.96494	1.8
153.01807	2.5
167.06993	4.4
271.05984	2.2
287.05484	100.0
299.05469	2.7
329.06555	3.9
353.06442	2.0
383.07446	3.9
419.09637	4.8
516.01074	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1184
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03941	2.0
55.01863	1.6
55.05502	0.7
57.03437	1.6
57.03666	0.3
60.04522	0.3
61.02914	1.3
68.99780	1.4
69.03078	0.5
69.03426	7.6
70.06586	2.4
70.98794	0.3
71.04975	1.2
71.58207	0.5
72.08138	1.2
73.02912	1.5
81.03413	8.6
81.07051	0.3
84.04518	0.3
84.08142	0.8
84.48409	0.3
85.02898	12.6
86.09694	1.3
87.00823	5.0
87.05587	0.3
87.12355	0.3
89.03876	0.3
91.03954	0.6
91.05457	0.8
92.02615	0.6
93.03397	0.7
93.07034	0.4
95.04949	0.4
97.02883	4.7
97.03445	0.5
99.04440	2.8
100.11249	0.7
105.01855	3.7
105.07030	0.7
107.04948	0.7
109.02878	6.3
111.04407	0.5
115.03883	0.3
115.69900	0.3
117.01854	1.2
120.08102	0.7
121.02863	0.9
127.03910	9.4
129.01808	0.7
135.04478	0.4
137.05991	0.7
139.03859	0.9
145.04947	2.5
147.02872	0.5
147.04460	0.5
151.03893	1.3
153.01814	7.1
153.05408	0.4
159.02884	4.9
163.03940	0.7
165.01796	0.5
167.07028	1.3
177.05431	0.7
181.04912	0.5
184.07320	0.3
190.91145	0.3
201.05507	1.0
210.14847	0.8
217.04901	0.6
218.05740	0.7
228.04237	1.4
229.04938	3.2
231.02866	0.5
231.05060	1.2
245.04382	1.7
246.05257	1.8
256.03549	0.3
257.04471	2.5
260.02936	0.3
271.06088	0.5
273.03812	1.6
274.04688	3.9
284.03156	0.5
285.03931	4.3
287.05530	1.0
302.04193	12.5
303.04474	0.3
317.06534	100.0
318.06827	2.2
565.20410	0.6
587.34076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01865	7.1
55.05503	18.2
57.03438	6.2
61.02919	3.1
63.07703	2.6
65.23302	2.4
67.05504	33.6
68.46327	2.2
69.03423	9.7
69.07069	16.8
71.04990	3.2
71.58319	3.0
71.58710	2.7
79.05487	32.1
81.03419	13.9
81.06579	5.0
81.07056	85.3
83.04995	7.1
83.08607	15.1
85.02897	8.7
85.06520	2.1
91.05486	29.2
93.07049	32.0
95.04959	15.6
95.08607	23.7
97.02872	4.5
97.06528	10.2
97.10223	2.5
99.08106	2.6
105.07030	25.7
107.04964	11.5
107.08587	22.1
109.02895	4.7
109.06516	28.7
109.10152	8.4
111.08067	6.6
117.07041	11.1
119.08582	26.4
120.04491	5.6
121.06513	5.5
121.10139	17.4
123.08065	7.6
123.11716	5.6
125.09643	3.0
127.03878	11.2
129.07011	2.8
131.08554	13.2
133.06458	2.4
133.10129	18.0
135.08055	6.5
135.11682	8.6
137.09581	4.3
145.10184	11.8
147.08011	4.9
147.11694	17.2
149.09605	12.4
149.13243	7.5
151.11209	2.9
157.10098	6.7
159.11688	8.2
161.09544	3.9
161.13245	4.7
163.11174	7.5
165.12767	7.9
173.09531	2.9
173.13225	5.1
175.11177	3.0
177.12762	3.3
191.14436	3.8
193.12138	4.6
201.12886	2.9
219.13626	2.5
229.19545	3.1
230.08617	3.0
239.17892	3.8
247.20627	8.6
257.18994	7.2
275.20044	100.0
293.21088	28.4
349.23724	52.7
367.24774	42.2
383.22177	4.2
401.22995	12.0
419.24286	26.4
437.25226	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	14.1
55.05503	27.0
57.03431	18.9
60.22817	6.3
67.05505	65.9
69.03429	20.7
69.07070	32.4
71.05907	7.0
79.05486	49.0
81.03433	38.1
81.07058	100.0
83.04991	14.3
83.08618	21.3
85.02897	18.8
89.11993	6.9
91.05490	45.4
93.07047	76.1
95.04977	22.5
95.08614	42.9
97.06534	14.4
105.07021	30.6
107.08595	40.1
107.76826	8.6
109.06526	13.7
109.10158	13.2
111.08079	9.8
114.31310	6.3
117.07014	24.7
119.08595	34.2
121.06503	8.7
121.10146	26.2
127.03902	12.4
131.08598	32.7
133.10144	31.4
135.08063	10.0
135.11716	26.3
143.08562	11.0
145.10156	15.4
147.11694	16.4
149.09621	21.1
149.13249	23.1
159.11720	18.2
163.11148	8.7
169.10065	10.4
173.13307	12.4
177.12755	17.1
179.14407	9.1
181.12167	6.8
186.29556	7.0
195.13904	20.4
229.74326	7.4
239.17781	6.9
255.15886	34.9
257.19098	11.9
269.17450	55.9
275.20074	47.4
339.18039	19.6
349.23807	33.9
367.24869	11.6
485.61975	9.2
562.82416	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	564.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.8
57.03435	13.8
58.99591	2.7
67.05515	3.3
69.03417	5.0
69.07063	4.9
69.85717	11.6
70.06586	34.2
71.01344	4.9
71.07378	2.6
71.08633	15.9
72.08150	8.5
73.02916	13.2
75.04468	7.2
76.02241	11.0
77.58122	2.2
79.05486	4.5
81.03413	6.5
81.07063	9.4
83.08607	3.6
84.04501	6.7
84.08135	7.3
85.02910	24.0
86.06066	49.2
86.09709	7.2
87.08131	5.2
88.04002	3.7
91.05471	6.9
93.07043	6.2
95.01320	5.0
95.04926	4.4
97.02885	6.1
98.09657	4.2
98.20755	4.4
99.04443	3.0
99.08102	15.9
101.02396	17.8
103.03939	3.1
103.05461	2.5
105.07066	3.0
107.04924	4.5
107.08590	2.1
108.08130	2.7
109.06509	9.9
111.08071	6.3
113.02351	6.0
116.01668	3.4
116.07074	3.0
116.10724	10.3
119.04836	2.4
119.08514	4.4
120.08109	4.6
123.04452	3.3
130.05019	4.4
130.06561	2.3
131.03374	4.9
131.08530	3.2
133.10063	3.5
134.09610	2.8
137.05977	10.4
141.01859	11.8
141.26732	2.3
143.10687	17.2
145.02756	3.6
145.04973	2.7
147.04405	7.6
147.08093	2.6
152.10698	4.1
157.07663	4.0
159.02940	2.6
162.02187	8.1
162.07600	5.4
167.07079	2.4
168.06380	2.4
170.11763	10.1
173.11736	11.1
175.06032	3.8
177.05463	6.6
179.04858	10.9
180.10271	3.3
184.07324	4.0
198.11258	100.0
214.17909	2.8
267.15988	2.8
275.11273	4.7
287.05453	6.1
290.15964	25.3
296.18600	14.7
300.13464	3.3
302.04245	7.9
308.09167	3.5
308.34641	2.7
317.06424	11.7
338.10861	5.9
349.14886	8.1
350.15039	3.3
356.68240	2.7
388.23349	22.9
448.17963	3.6
465.21268	3.8
466.19186	67.2
477.02975	2.3
478.91507	2.2
546.25189	11.7
564.26508	43.3
564.34131	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46719	2.9
51.82027	2.7
53.03940	6.1
53.88159	2.7
55.01870	14.6
55.05515	27.8
57.03424	17.9
57.07073	5.0
61.02900	3.3
64.12498	3.1
65.03957	5.5
67.05173	5.4
67.05506	74.6
68.05837	2.9
69.03426	12.3
69.07065	30.0
70.05766	11.8
71.04982	7.8
73.02915	5.3
79.05492	48.0
79.34144	2.8
81.03413	25.4
81.07057	81.3
83.04971	16.8
83.08609	15.5
85.02890	8.1
85.06541	7.0
91.05480	52.7
93.07045	50.8
95.04970	14.5
95.08613	38.9
97.02905	7.4
97.06528	12.1
97.10175	7.9
99.04452	3.5
105.03349	6.8
105.07027	52.8
107.04945	12.8
107.08600	49.1
109.02888	13.4
109.06519	17.4
109.10153	62.8
111.04446	8.6
111.08059	8.1
113.06014	4.2
117.07014	11.6
119.08591	19.2
121.06507	8.9
121.10129	20.2
123.08080	10.5
123.11710	14.3
125.05976	5.3
125.09595	4.1
127.03905	14.5
127.07611	4.0
129.07016	5.8
131.08589	17.2
133.06479	7.1
133.10124	76.2
135.08052	11.5
135.11714	9.1
136.06197	4.1
137.05988	8.8
137.09605	7.2
143.08600	5.4
145.10143	7.4
147.07986	4.1
147.11751	10.6
149.09613	9.3
151.07521	4.2
151.11180	36.9
153.12703	3.5
157.10056	5.3
159.11638	3.7
161.09593	9.2
161.13229	4.8
163.11185	7.0
165.09100	8.7
165.12775	4.3
169.12268	13.2
173.13307	3.5
175.11206	6.2
177.09138	3.7
177.12769	4.9
179.10698	5.9
179.14284	3.8
181.12219	5.0
189.12779	5.2
193.12413	3.9
208.17027	3.5
213.66576	3.2
215.12808	8.2
245.19119	6.8
253.14366	100.0
253.37584	3.1
257.17664	3.9
263.20016	9.2
269.13898	6.3
271.15439	13.6
273.18533	23.7
275.20288	4.5
279.23212	6.0
291.19507	29.7
305.24646	24.5
319.26300	13.8
341.15891	10.4
347.22015	5.1
347.25784	66.6
365.23178	46.3
365.26984	13.8
390.29861	10.8
421.29468	85.7
422.29724	6.1
435.23660	6.4
439.30499	13.0
544.37000	6.9
562.30756	5.9
562.38312	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35076	2.4
52.06098	2.3
52.92817	3.4
55.01864	6.8
55.05520	14.1
57.03436	9.1
61.02900	3.0
61.11470	3.4
61.92461	3.1
63.55677	2.6
67.05506	42.6
68.21658	2.5
69.03424	7.3
69.07062	10.9
71.04991	5.1
72.02225	2.6
72.37206	3.4
73.02914	2.6
79.05498	28.1
81.03413	8.6
81.07056	47.6
81.58662	2.3
83.04985	12.7
83.08615	8.4
85.02905	5.2
85.06543	5.1
91.05486	37.4
93.07053	32.4
95.04974	10.0
95.08599	12.4
97.02874	4.2
97.06531	2.6
105.03397	10.6
105.07045	33.6
105.89643	3.1
106.07368	3.9
107.04972	6.9
107.08592	28.1
109.06520	6.9
109.10156	38.8
111.08105	4.6
117.07018	5.7
119.08601	11.7
119.56721	2.5
121.06519	4.5
121.10133	13.1
123.08044	3.8
123.11702	6.0
131.08577	9.8
133.06526	4.2
133.10138	54.6
135.08076	7.1
135.11668	6.4
143.08600	5.4
145.10117	4.4
147.07982	3.6
147.11639	3.3
149.09642	9.1
151.11171	27.7
159.08041	5.8
161.09607	7.8
162.13446	2.8
169.12280	6.2
175.11162	4.1
215.12712	4.0
253.14363	100.0
269.13879	3.4
271.15546	13.5
273.18460	17.6
291.19553	16.7
312.73260	3.1
347.22269	7.8
352.14786	2.6
365.23218	80.1
544.37152	4.7
562.37915	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.2
55.05516	26.9
57.03421	8.1
58.61408	4.6
67.05505	25.2
67.25511	4.4
69.03419	13.6
69.07066	21.5
69.34013	31.2
69.34432	13.7
71.04962	5.3
79.05488	27.1
81.03419	14.3
81.07078	24.5
82.45216	5.1
82.74158	4.9
83.04956	12.1
83.08617	12.1
85.02859	4.6
91.05483	19.4
93.07040	28.5
95.04967	11.2
95.08603	11.3
97.02883	14.3
97.06519	5.3
97.10178	12.8
105.03423	6.0
105.07020	17.5
107.04954	8.4
107.08601	11.8
109.10178	9.3
117.07021	8.6
119.08608	16.0
121.10141	8.4
125.09609	13.3
131.08577	4.5
133.10103	6.3
137.09540	6.5
145.10136	9.7
147.08078	6.8
149.09680	8.3
157.10164	5.3
163.11203	4.4
175.11188	6.5
189.11150	6.3
193.12279	11.7
194.04762	6.8
223.13321	20.0
227.12802	8.4
263.03229	4.5
267.15952	5.7
273.18433	12.9
285.16861	9.3
291.19562	97.0
291.22821	5.0
339.88806	4.8
365.23224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
54.22307	1.4
55.01874	3.8
55.05511	13.2
57.03434	2.6
67.05497	15.7
67.32423	1.5
69.03429	8.0
69.07066	13.0
69.36386	1.5
71.04993	1.8
78.07189	1.4
79.05494	14.8
81.03417	9.5
81.07047	13.0
83.04980	4.5
83.08625	7.2
85.02905	4.4
91.05481	13.5
93.07042	13.4
95.04979	7.1
95.08611	6.9
97.02892	5.3
97.06538	2.5
97.10175	10.0
98.21516	3.2
98.59861	1.4
99.04473	1.6
105.03430	3.2
105.07039	9.3
107.04939	4.1
107.08569	8.3
109.02895	3.1
109.06500	1.9
109.10171	3.9
111.08035	1.6
117.07022	4.0
119.04973	1.8
119.08598	8.0
121.06486	2.5
121.10172	6.1
123.08082	2.7
125.09629	5.7
127.03911	7.0
129.07039	3.2
131.08582	5.5
133.06497	2.7
133.10135	4.8
135.08069	2.8
137.09718	1.8
142.79906	1.4
143.08580	2.3
143.74280	1.7
145.10168	4.7
147.07999	4.3
149.09686	1.9
157.10170	2.7
161.09723	2.3
163.11220	1.9
165.09091	2.0
168.32173	1.6
189.11227	5.6
193.12257	2.2
223.13284	9.7
249.14818	3.0
267.16098	1.6
273.18475	10.5
275.00458	1.4
275.80582	1.5
285.17007	3.2
291.19540	100.0
292.20068	2.9
325.12607	2.0
334.93530	1.8
347.10236	1.4
354.39609	1.9
365.23230	37.3
370.26956	1.6
435.23810	4.8
452.24811	1.8
527.28400	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92421	0.9
53.22464	0.8
55.01872	2.4
58.06594	2.4
69.03425	1.9
70.06591	38.4
71.02853	1.9
71.03197	1.1
80.10052	0.7
80.10527	0.9
81.03424	1.2
82.06577	1.1
83.01318	0.9
84.08146	2.5
85.02892	3.6
86.09689	2.0
91.05473	2.0
93.06979	0.8
95.01347	1.7
95.04930	1.4
96.08145	2.1
97.02879	1.4
106.06538	1.4
107.04920	1.2
109.05301	1.1
110.06046	0.8
119.04952	2.1
120.04393	0.9
120.08118	1.3
123.04424	15.8
127.03898	1.1
129.07001	1.0
131.04900	1.2
132.08057	0.9
133.06439	1.0
133.24786	0.9
134.06009	6.0
136.07529	1.4
139.03960	1.4
141.01837	3.2
145.06557	1.0
147.04359	5.4
148.07555	1.3
149.05981	1.5
150.09328	1.3
151.03888	13.6
152.07109	1.3
155.08527	1.0
157.06482	0.9
162.05481	0.9
162.09180	1.5
163.03841	1.7
164.07047	2.2
165.05463	2.9
165.06955	1.0
167.08548	1.8
173.05995	1.7
174.09088	0.8
175.07596	4.1
176.07101	1.2
177.05461	12.7
178.08626	1.1
179.08575	1.0
180.10265	2.2
180.12209	0.7
185.06039	2.2
187.07547	1.2
188.07077	5.1
189.05464	1.5
195.08139	2.6
197.06073	1.9
199.07498	1.4
201.05516	1.0
203.07016	1.3
206.11801	1.5
210.06792	1.5
211.07532	2.7
213.05412	0.9
213.09114	1.1
215.07040	2.4
223.07541	3.5
224.12881	4.2
225.09058	1.8
227.07095	2.0
229.05127	0.9
230.12288	1.0
234.11305	3.8
239.07072	1.8
239.53624	0.8
241.08617	1.8
243.02885	0.9
243.06560	2.9
249.05505	1.2
251.07039	5.2
253.08687	1.5
261.07693	1.7
267.06610	3.4
269.08047	2.7
272.11444	2.5
273.07700	1.0
279.06598	1.6
285.07718	1.5
295.06012	1.8
297.07648	1.2
301.06638	1.2
303.08606	1.4
315.08832	1.2
333.09756	3.4
374.12387	1.2
377.01849	1.2
383.11014	1.0
386.15921	1.7
392.13272	2.0
401.12613	0.9
410.14456	100.0
411.14624	2.1
480.74567	1.4
526.17218	1.0
544.18457	3.2
548.93225	0.9
562.19177	76.8
563.19452	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	561.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01874	5.7
55.05511	24.2
56.88957	1.6
57.03436	6.3
57.07067	5.2
58.52699	2.0
59.04998	1.4
65.03950	4.5
67.05506	66.1
69.03432	3.9
69.07069	18.2
69.37909	14.7
71.04993	25.1
71.08634	5.4
73.02911	1.5
79.05494	48.6
81.03418	11.1
81.07056	79.9
83.04980	12.4
83.08619	18.6
85.02892	2.4
85.06545	4.4
87.04475	1.8
87.23119	1.5
91.05476	40.3
93.07041	52.7
95.04951	13.4
95.08605	34.2
95.09174	2.7
97.06519	10.4
97.10159	7.1
99.08092	4.2
105.07028	35.3
105.07685	2.6
105.20415	1.7
107.04976	4.3
107.08593	28.5
108.08893	1.4
109.06548	5.3
109.10152	16.8
111.04482	1.7
111.08097	6.2
113.09663	3.0
115.05450	2.3
117.07032	12.0
119.08582	24.1
119.09379	2.4
121.06502	3.1
121.10145	22.4
123.08108	3.1
123.11709	13.6
125.09623	3.9
129.07037	6.1
131.08585	16.8
133.10124	27.0
135.08087	3.9
135.11691	14.0
137.09668	2.2
143.08575	4.3
145.10141	13.7
147.08099	2.0
147.11703	11.8
149.09662	4.7
149.13269	10.5
151.11185	7.9
155.08647	2.3
157.10167	6.0
159.11700	10.9
161.09634	1.9
161.13326	5.4
163.11237	6.6
163.14861	2.0
165.12822	4.0
169.10234	2.1
171.11752	3.0
173.09657	1.9
173.13318	5.0
175.11273	2.8
175.14890	2.0
177.12743	3.5
179.14261	7.3
181.12299	2.0
183.13843	5.6
185.13368	4.7
189.11264	2.2
189.12738	1.6
191.10701	1.5
193.12311	1.7
195.11859	1.7
195.13843	3.7
197.13316	1.7
199.14789	2.3
216.40224	1.7
227.12886	5.2
234.09964	1.7
241.19699	2.3
247.20663	1.8
259.20685	5.0
261.22159	2.8
267.16016	6.6
269.17624	4.4
275.20099	11.8
277.21808	6.2
285.17120	3.8
289.21671	1.7
293.21304	4.4
335.26086	2.1
349.23846	3.7
351.25613	2.0
363.25711	2.0
437.33685	1.9
451.32394	2.1
469.33209	3.4
474.20758	2.1
475.21478	1.9
517.39075	6.2
525.35815	2.7
529.38843	8.2
543.36633	11.9
561.25116	4.6
561.40039	100.0
562.40491	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	561.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.5
51.25893	0.9
53.03940	6.9
55.01878	3.5
55.05511	24.6
57.03434	3.6
57.07076	4.2
59.05025	1.1
62.21486	1.0
65.03926	5.4
67.05505	91.7
69.03429	2.8
69.07069	18.0
69.07425	1.9
71.04993	56.4
77.03934	1.5
79.05491	65.7
81.03446	4.5
81.07056	100.0
83.04992	10.0
83.08617	12.7
85.06539	6.3
91.05482	68.6
93.07044	65.1
95.04974	11.9
95.08608	41.5
97.06532	10.9
97.10181	4.1
99.08150	1.9
103.05477	1.1
105.07025	34.6
107.05001	2.4
107.08593	35.9
107.09286	2.3
109.06558	3.7
109.10152	18.6
111.08139	3.3
117.07012	12.0
119.08591	14.1
119.31076	1.0
121.06550	1.6
121.10139	24.2
122.90262	1.2
123.08098	3.2
123.11710	21.0
125.09652	2.3
128.06276	1.4
129.07048	2.7
131.08575	17.8
131.09492	1.1
133.10129	34.2
135.08052	1.6
135.11699	15.3
139.11256	1.5
143.08575	2.3
143.91168	1.2
144.09358	1.2
145.10117	7.5
147.11679	7.9
149.09674	1.4
149.13268	16.3
151.11192	15.6
153.12753	1.2
157.10172	1.6
159.11690	11.6
161.13287	3.7
163.11232	2.2
163.14786	1.1
165.12807	1.3
169.12299	2.1
171.11642	1.6
173.13284	3.0
175.14873	2.8
177.12810	3.8
183.13800	17.9
185.13272	2.0
187.13365	2.1
187.14853	1.5
195.12314	1.6
195.13745	5.4
213.14935	1.6
227.12761	1.5
227.16534	2.9
229.72447	1.7
261.22269	3.5
267.15839	1.4
269.17560	2.4
275.20300	3.4
277.21576	2.1
283.19156	2.5
285.17126	4.2
293.21271	1.7
327.23123	1.3
349.23782	1.5
363.25598	2.3
487.05484	1.3
517.38879	19.8
529.38953	8.9
543.36951	2.6
561.41327	53.0
562.41595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.0
53.03942	4.5
55.01866	3.3
55.05511	21.0
57.03426	3.0
57.07072	2.2
62.82883	1.5
64.23280	1.2
65.03928	2.8
67.05502	84.4
69.03429	3.5
69.07070	17.4
70.84257	3.7
71.04988	50.3
71.05367	3.0
71.08614	2.2
75.14720	1.4
79.05487	61.2
81.07054	100.0
83.04975	11.0
83.08603	10.3
85.06564	6.1
91.05479	56.1
93.07040	65.6
95.04950	12.2
95.08601	34.5
95.09167	2.6
97.06512	9.2
97.10201	3.5
99.08138	3.3
105.07025	31.9
105.07675	2.0
107.04937	1.8
107.08587	34.6
109.06548	3.4
109.10143	15.4
109.10741	1.6
111.08091	5.5
115.23608	1.4
117.07029	9.6
119.08572	12.5
121.06494	1.5
121.10143	28.8
123.08060	2.3
123.11703	23.1
125.09633	3.0
129.07022	3.4
131.08548	12.6
133.10129	32.3
133.11070	1.9
135.11705	19.0
139.11192	2.4
145.10095	7.2
147.11731	6.1
149.13245	14.6
149.14149	1.3
151.11188	15.9
157.10161	2.0
159.11676	12.0
161.13287	3.6
165.12683	1.8
166.87943	1.5
173.13341	2.2
177.12793	4.9
179.14354	2.0
183.13828	17.5
185.13173	1.5
187.13374	3.7
195.13908	5.0
243.21085	2.1
257.17545	2.6
261.22186	3.8
269.17560	2.9
275.20157	2.2
285.17194	5.1
293.21167	3.5
301.38928	1.6
361.27277	2.1
363.25391	4.9
399.01755	1.9
491.95642	1.5
517.38855	27.2
529.38898	7.5
561.41669	52.9
562.41809	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01863	6.3
55.05268	2.2
55.05511	30.5
57.03439	11.8
57.07065	4.6
65.03944	3.3
67.05500	61.5
69.03410	3.0
69.07066	26.7
69.98458	11.5
71.04976	5.4
71.08624	1.9
79.05490	44.5
80.53252	2.0
81.03413	16.3
81.07055	100.0
83.04973	7.4
83.08627	12.8
85.02873	2.7
85.06569	4.5
85.10220	2.6
91.05476	55.0
93.07038	46.2
95.04984	15.7
95.08603	35.6
97.06501	10.2
97.10150	5.7
99.08099	5.4
100.38707	2.1
103.05466	2.3
105.07027	63.8
107.04961	6.0
107.08587	35.0
109.06502	10.5
109.10164	11.1
111.08080	7.2
117.07010	13.8
119.07711	3.2
119.08575	61.4
119.09454	2.9
121.06535	4.3
121.10139	31.1
123.08025	5.4
123.11699	22.1
124.11955	2.0
125.09592	2.3
127.07519	2.3
128.06197	2.9
129.05412	2.3
129.06963	9.3
131.08571	15.5
133.06467	2.2
133.10126	29.5
135.08026	3.6
135.11693	11.2
137.09612	2.2
143.08525	7.6
145.10130	19.6
147.11678	73.5
149.09628	4.6
149.13281	15.4
151.11180	4.6
157.10103	8.6
159.11691	13.5
161.09601	1.9
161.13258	20.2
163.11127	4.3
165.12733	23.0
169.10095	2.6
171.11678	7.6
173.13257	9.0
175.11197	2.6
175.14830	7.9
177.12675	2.2
183.11661	2.4
183.13901	4.4
185.13232	7.3
187.14769	2.2
191.14252	2.8
193.12268	3.8
197.13191	2.2
199.14819	3.2
221.15457	2.7
227.12689	3.0
229.14352	4.9
231.21078	5.1
241.19530	20.8
257.18973	3.0
259.20547	39.1
267.15845	23.1
269.17444	6.6
275.20032	10.3
277.21582	7.8
285.16946	34.3
295.22797	3.7
301.21677	3.4
315.23129	6.0
333.24268	27.7
349.23499	3.0
351.25214	6.4
383.96170	2.2
451.31827	5.7
469.32852	7.4
477.73380	2.0
525.35614	3.1
543.36810	19.3
556.04779	2.4
561.38135	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	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01856	6.1
55.05505	24.7
57.03443	11.1
57.07064	5.0
59.04992	2.0
65.03932	2.4
65.08719	1.7
67.05504	60.4
69.03415	3.4
69.06721	2.3
69.07072	23.3
71.04990	6.2
73.02901	3.3
77.69499	2.0
79.05491	51.3
81.03415	7.5
81.07054	100.0
83.04993	8.8
83.08617	13.3
85.02876	2.3
85.06544	4.1
86.09709	2.4
91.05474	56.5
91.06017	3.7
93.07039	50.5
95.04971	11.0
95.08607	44.4
97.06531	8.3
97.10150	3.5
98.20761	7.3
98.98485	9.1
99.04436	3.6
99.08084	4.8
103.05454	2.0
105.07030	66.6
107.04973	2.3
107.08586	33.4
109.02857	5.0
109.06528	5.4
109.10154	15.4
111.04441	3.5
111.08074	3.9
117.07013	15.0
119.08575	57.2
121.06503	2.1
121.10146	29.5
123.08094	5.9
123.11689	20.5
125.09603	2.6
127.03931	2.2
129.07019	10.1
131.08568	22.2
132.99542	3.0
133.10132	32.5
135.08044	3.2
135.11685	14.1
136.07506	1.9
137.09615	2.9
137.13255	2.8
139.11191	2.1
143.08578	8.2
145.10115	15.2
147.08032	2.3
147.11685	68.8
149.09706	4.1
149.13277	9.6
151.11237	3.0
155.01009	6.5
155.08594	3.0
157.10129	9.5
159.11685	16.9
161.13257	21.0
163.11235	2.9
163.14815	3.9
165.12769	20.3
169.10201	2.2
171.11717	8.0
173.13213	9.8
175.11208	2.9
175.14784	11.5
177.12749	2.9
183.11787	2.2
185.13321	6.2
187.14812	5.6
191.00133	2.3
193.12231	3.5
199.14742	5.0
211.14841	2.7
227.12759	2.5
229.14366	5.5
229.97301	2.9
231.21106	5.2
241.19489	24.9
257.19174	2.3
259.20590	44.4
267.15924	26.0
269.17471	2.7
275.20154	6.5
277.21674	8.3
285.16980	33.4
291.19763	2.2
315.23126	4.8
324.21991	2.1
333.24234	28.0
335.25916	3.0
337.27377	7.3
351.25473	2.4
385.46466	1.9
439.20041	1.9
451.31973	3.1
469.33078	6.0
487.34271	2.1
525.35895	4.1
543.36713	21.7
561.38116	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	561.1943
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
65.52113	0.3
70.06598	2.0
70.14947	1.5
72.08146	0.7
81.03441	0.6
83.01108	1.1
84.01862	0.4
84.08159	0.9
85.02898	0.5
86.09717	1.5
91.05473	1.1
95.01093	2.3
96.01872	1.0
97.02890	0.5
98.20907	0.7
100.07648	0.4
103.05482	0.6
107.04939	0.4
110.07156	0.3
112.01340	0.6
113.02117	3.3
119.04935	0.8
120.64228	0.4
123.04435	0.6
131.04950	1.4
136.07642	0.4
136.50502	0.3
137.05977	0.8
137.08368	0.3
139.03912	0.4
141.05272	0.4
145.44003	0.3
147.04436	1.0
151.07524	0.4
157.04692	0.8
158.43098	0.3
167.03123	0.5
185.04218	5.5
185.05739	0.9
187.03661	0.4
201.03651	1.9
202.06015	4.3
203.05203	2.4
203.06885	0.5
320.01929	0.4
351.62341	0.4
365.12076	1.1
410.14447	1.4
543.19214	0.4
561.19409	100.0
562.19543	4.7
562.27704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.2
55.01867	4.2
55.05507	38.5
57.03435	9.0
58.43257	3.8
65.03926	4.4
67.05503	100.0
69.03415	5.1
69.07066	29.0
69.78923	23.5
71.05009	8.3
74.24242	3.3
79.05487	83.1
81.03414	7.5
81.07053	86.2
83.04967	11.0
83.08619	15.5
85.06584	4.0
91.05478	70.2
93.07038	85.1
95.04960	23.8
95.08606	53.0
97.06528	9.0
97.10171	7.1
105.07028	52.6
107.04940	8.0
107.08601	37.1
109.06516	7.2
109.10141	16.5
115.05521	4.4
117.07009	17.1
119.08574	32.4
121.10132	21.0
123.08060	7.1
123.11665	3.8
129.06984	19.7
131.08563	22.8
133.10088	23.9
135.11656	16.2
136.06145	4.2
141.55501	3.3
143.08562	16.5
145.10138	24.2
147.11687	30.2
149.13226	8.9
149.99416	3.5
157.10080	4.8
158.53819	3.7
159.11705	10.8
161.09596	5.1
161.13255	9.4
163.11165	5.9
168.99977	3.6
169.10257	4.8
171.11679	24.1
183.11670	6.1
185.13353	5.5
187.11174	3.5
187.14783	4.1
189.12766	10.5
197.60867	4.9
199.14757	3.7
207.13794	16.2
225.14742	4.8
261.22144	10.3
263.23584	4.7
279.15952	5.5
281.17462	41.9
291.54709	3.8
325.25137	3.9
335.25720	27.3
449.34436	6.6
467.35516	5.5
515.12640	3.8
527.37659	5.4
541.38995	53.2
559.39276	14.4
573.87335	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	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.3
55.01877	9.0
55.05514	38.3
55.71718	6.1
56.97301	6.1
57.03437	10.1
57.07082	7.5
67.05505	100.0
68.21400	5.3
69.07076	30.7
69.40363	6.3
71.04972	6.4
71.90873	5.9
79.05494	95.4
81.03413	12.5
81.07062	99.8
81.73848	5.6
82.70359	5.9
83.04994	17.9
83.08634	14.0
91.05488	76.3
93.07042	88.4
95.04965	30.5
95.08610	65.9
97.06545	8.9
105.07038	62.4
107.04988	12.8
107.08598	38.6
109.06551	8.0
109.10154	25.0
114.72253	6.3
117.07034	20.9
119.08595	42.4
121.10138	23.1
123.08073	9.3
123.11716	8.3
125.41322	6.3
129.06993	19.3
131.08592	30.7
133.10162	23.0
135.11717	19.3
143.08540	7.7
145.10117	21.0
147.11676	34.7
149.13213	9.2
157.10153	8.7
159.11664	13.1
169.10139	7.0
171.11687	26.3
173.13272	8.3
185.15205	5.9
189.12784	10.9
195.13832	7.3
207.13763	13.7
242.02388	6.6
243.21043	8.9
261.22247	20.6
281.17493	29.2
335.25830	19.7
359.88565	7.4
541.39069	56.8
559.38965	18.7
584.82556	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	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.2
55.01860	3.6
55.05507	32.0
55.79715	2.2
57.03422	10.9
65.03931	5.5
67.05502	100.0
69.07069	24.0
71.04984	4.2
71.08620	4.6
77.03951	3.1
79.05491	94.1
81.03405	12.4
81.06587	5.1
81.07055	95.6
83.04981	13.2
83.08610	17.0
85.06533	4.7
91.05476	73.1
92.18211	2.5
93.07037	99.0
95.04976	19.9
95.08604	56.3
97.06487	7.0
97.10147	5.6
99.08089	4.1
105.06386	4.4
105.07027	57.9
107.04939	11.3
107.08588	39.1
109.06480	7.6
109.10151	24.1
111.08089	4.6
115.05457	4.6
117.07011	20.8
119.08569	37.0
121.06491	7.7
121.10146	31.4
123.08028	8.6
123.11682	4.8
125.09676	3.1
127.67211	2.2
128.06224	6.2
129.06139	2.7
129.06978	13.7
131.08566	23.1
133.10132	24.5
135.08002	3.7
135.11671	22.4
136.06212	4.5
137.13245	2.7
143.08563	14.0
145.06447	4.1
145.10123	20.1
147.07957	5.2
147.11691	32.0
149.13251	10.3
151.11240	3.1
155.08504	3.7
157.10106	7.0
159.11725	12.0
159.69443	2.8
161.13261	13.4
163.11139	6.6
163.14827	4.1
165.12756	3.9
169.10126	3.4
171.11665	21.4
173.13240	8.9
179.14311	10.3
181.10193	3.3
181.12140	3.2
183.11665	6.4
185.13266	5.0
187.14835	6.1
189.12723	9.6
197.13284	4.3
199.14818	5.3
207.13831	16.3
227.12772	9.0
229.67697	2.8
243.21100	4.3
257.19058	3.0
261.22083	15.5
267.15820	3.9
275.20013	5.6
277.21619	8.2
279.15955	8.4
281.17450	28.6
291.19562	7.2
307.47559	2.9
317.24826	2.9
335.25803	22.5
339.37027	2.9
418.76944	3.3
432.66641	2.6
485.36163	3.8
516.56635	3.9
523.37598	3.2
529.39038	3.1
541.39026	59.0
559.39124	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	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51994	1.8
53.03929	7.9
55.01871	11.5
55.05270	2.5
55.05509	37.8
57.03423	7.4
57.07063	2.4
65.03938	3.9
67.05500	66.3
69.03428	5.2
69.07060	27.9
70.99416	4.5
70.99786	3.8
71.04977	8.8
73.61486	2.4
79.05014	3.1
79.05488	57.8
81.02935	2.5
81.03414	77.0
81.07054	100.0
83.04988	7.7
83.08617	29.5
85.02898	3.6
85.06546	6.2
91.05476	51.9
93.07039	42.3
95.04961	34.2
95.08604	41.3
97.02874	3.0
97.06525	14.6
97.10154	15.3
98.32688	2.1
99.08040	2.3
103.05380	2.5
105.07021	50.3
107.04963	14.1
107.08588	33.0
108.18707	2.1
109.06517	22.0
109.10144	20.6
111.04432	4.6
111.08064	8.7
117.07002	18.0
119.08572	39.7
121.06493	9.8
121.10149	23.5
123.08047	8.2
123.11674	10.6
125.09615	7.0
128.06233	3.1
129.06998	17.4
130.07765	2.3
131.04935	2.6
131.08575	25.2
133.06448	6.5
133.10138	26.1
135.08028	7.2
135.11667	8.9
137.09593	7.4
141.06963	4.2
142.07780	5.9
143.08548	8.8
145.06474	3.8
145.10104	23.9
147.08043	8.2
147.11676	27.8
149.09631	13.6
149.13248	5.7
151.11197	3.0
155.08531	4.6
157.10074	17.2
159.08070	5.9
159.11644	11.4
161.09566	3.9
161.13254	5.9
163.11159	13.1
163.14737	3.1
165.12732	11.3
169.10066	3.4
171.08096	2.6
171.11673	7.8
173.09683	4.0
173.13261	6.3
175.11165	10.3
175.44838	2.2
177.12683	5.3
183.11694	6.0
185.09587	2.5
185.13225	2.9
187.11174	4.3
189.09186	2.3
189.11214	7.3
191.10648	2.8
193.12263	23.3
197.13251	5.3
203.14259	2.2
213.12759	3.2
227.12761	5.2
239.17941	3.0
247.20509	4.0
257.19003	7.5
267.15900	22.1
271.20773	2.5
273.18356	3.7
275.20078	39.9
287.23691	3.1
287.57434	2.3
293.21045	7.5
299.20056	4.6
315.19302	2.7
315.22995	4.0
349.23843	11.5
421.30551	3.5
431.28799	3.9
449.30469	12.2
467.31512	17.6
485.32928	9.8
541.35175	33.5
559.28833	5.4
559.36255	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.6021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53252	4.0
55.05520	24.9
55.94579	4.3
57.07080	46.5
67.05514	41.0
69.07072	43.4
69.29410	22.0
69.29845	22.5
70.21291	4.0
71.08643	35.8
79.05497	9.5
81.07060	89.5
83.08629	31.9
85.10182	16.0
93.07070	4.3
95.08605	100.0
97.10173	28.3
109.10158	69.0
111.11718	19.4
122.63603	5.7
123.11728	20.1
125.13291	7.8
137.13258	9.7
165.16367	4.7
197.09610	4.5
203.69295	4.6
272.18152	4.9
557.60498	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	558.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.6
55.05498	5.6
57.03416	1.9
57.40397	1.4
61.02921	2.2
65.03931	1.9
67.05504	27.2
69.03419	6.9
69.07051	3.4
70.06577	7.1
71.04977	2.5
71.58080	1.6
72.08128	2.8
73.02879	2.1
75.86045	1.4
79.05477	1.7
81.03389	4.1
81.07063	3.3
83.04974	2.0
84.08131	3.8
85.02905	14.9
85.06495	2.6
86.09692	6.0
87.00812	1.6
91.05461	4.4
92.05002	5.6
93.07027	6.9
94.06512	2.1
95.04932	2.2
95.08604	100.0
97.02872	4.6
99.04445	2.2
105.07039	2.0
107.08620	2.3
109.02863	4.6
111.04436	3.9
113.09638	13.3
119.08597	1.7
120.04462	72.8
120.08119	2.5
121.06461	1.9
123.04469	1.7
127.03900	6.5
136.06163	4.9
137.05978	7.5
145.10056	1.9
146.06001	2.3
147.04451	4.1
148.03941	5.6
150.05463	3.3
161.06013	1.7
184.07587	12.0
186.05499	2.4
188.03796	8.3
188.07175	1.7
212.07016	13.6
216.06725	1.5
220.93422	1.5
230.05827	2.3
230.08113	47.0
241.09842	1.7
248.09213	18.5
250.14374	1.5
251.23611	1.5
266.10220	28.6
266.12903	3.2
314.07114	2.3
316.15219	1.7
373.00159	2.4
476.17978	2.0
558.09192	1.7
558.29730	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	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
53.49632	2.0
55.01870	5.7
55.05509	23.7
57.03416	4.8
57.07055	4.5
58.70129	2.1
67.05504	47.1
69.07079	20.0
69.35361	8.9
69.35780	14.2
71.04993	4.8
79.05492	36.9
79.74340	2.1
81.03410	4.4
81.07058	52.4
83.04959	5.6
83.08600	11.8
85.06512	3.7
89.28082	2.1
91.05481	39.3
93.07038	31.0
95.04940	9.2
95.08606	30.6
97.06520	3.8
97.10162	6.0
105.07027	35.9
107.04916	5.6
107.08599	23.8
109.06524	6.0
109.10166	12.4
109.29042	2.3
115.05467	4.0
117.07020	20.6
119.08572	27.2
121.06503	2.5
121.10100	11.3
123.08054	6.9
125.09608	3.8
128.06223	7.1
129.06996	17.6
131.08562	34.1
133.10126	18.2
135.08012	3.7
135.11679	9.0
135.14227	2.2
141.06973	8.6
142.07806	4.4
143.08563	25.5
145.10121	27.7
147.11693	14.8
149.09630	3.4
149.13269	6.0
154.07780	3.9
155.08543	23.4
157.10118	25.9
159.08089	3.1
159.11676	18.2
161.09610	4.8
161.13272	9.3
165.06912	3.2
166.07767	2.2
167.08597	8.4
168.09361	5.2
169.10123	22.4
171.11664	29.6
173.09645	3.4
173.11893	3.2
173.13264	12.5
175.11324	2.4
175.14783	3.5
179.08588	3.5
181.10085	17.4
182.10927	3.1
183.11665	20.7
185.13248	15.8
187.14801	6.5
189.12701	2.6
193.10155	6.3
194.10931	2.6
195.11732	11.4
197.13326	17.3
199.14793	12.1
201.16243	3.1
205.10199	3.2
207.11713	4.4
209.13277	10.2
211.14818	12.0
212.29607	2.4
213.16365	10.1
221.13219	6.0
223.14833	6.4
225.16318	4.9
233.13239	2.9
235.14720	3.3
237.16364	6.9
241.19531	5.7
251.18159	2.7
259.20575	9.8
263.17892	2.4
265.19644	2.9
279.15894	2.4
281.17523	6.7
285.18280	2.8
295.17532	2.9
297.22034	3.4
321.22250	2.9
323.23453	2.5
333.24261	4.8
337.25232	3.8
339.23224	3.6
349.25336	4.4
353.24570	4.8
397.27469	2.8
419.32935	6.1
429.31680	7.5
437.34048	16.6
447.32736	30.4
465.33649	39.0
483.34802	19.0
501.35596	5.1
511.38025	2.9
521.36237	8.5
529.38770	10.1
539.37280	100.0
557.38379	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	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14367	2.5
53.03932	7.8
53.67273	2.6
55.01868	9.2
55.05509	32.6
57.03436	5.6
57.07077	5.7
58.19664	2.7
59.53019	2.7
60.56479	2.5
64.17196	2.8
65.03945	3.5
67.05505	68.1
69.03410	3.7
69.07070	22.9
69.71124	17.6
71.04996	5.8
79.05056	5.1
79.05490	55.1
81.03413	7.8
81.06578	5.4
81.07053	62.4
83.04976	7.7
83.08608	17.7
85.06541	3.1
91.05482	58.4
93.07043	51.4
95.04984	17.6
95.08617	40.9
97.02802	3.2
97.06533	11.3
97.10178	9.9
103.05476	3.5
105.07033	49.1
107.04943	7.2
107.08590	27.8
109.06509	8.0
109.10159	18.3
111.04427	3.3
111.08070	5.3
117.07005	27.2
117.33615	2.5
119.08574	37.0
121.06532	5.5
121.10146	22.3
123.08060	10.3
123.11628	4.4
125.09621	6.7
128.06190	5.8
129.06998	25.2
131.08563	40.2
133.06516	3.5
133.10130	26.8
135.08011	4.4
135.11671	14.1
141.07021	10.5
142.07785	7.2
143.08566	30.6
145.06458	5.9
145.10132	40.8
147.08032	7.6
147.11719	17.9
148.20241	2.9
149.13269	7.6
153.06937	4.1
153.12747	2.7
155.08549	26.6
157.10129	25.2
159.08057	4.7
159.11676	24.0
161.09596	4.2
161.13243	13.2
163.11243	4.9
167.08589	10.7
169.10121	28.0
171.11662	27.1
173.09631	4.6
173.13290	16.0
175.14836	5.8
177.09319	3.1
177.12773	3.1
179.08545	4.7
181.10091	15.1
182.10954	2.9
183.11682	22.3
185.13272	15.9
187.11285	3.5
187.14859	6.1
193.10176	4.9
195.11743	15.2
197.13234	17.2
199.14780	7.6
201.16454	4.8
207.11742	8.4
209.13235	9.9
211.14888	15.3
213.16438	9.2
221.13237	5.7
223.14839	6.7
227.12775	4.7
235.14786	3.5
237.16357	6.0
241.19424	10.7
259.20572	14.4
261.22482	3.4
275.20090	5.5
279.15848	5.3
281.17499	7.0
323.23654	3.7
333.23990	5.5
335.23813	5.6
339.23303	3.9
349.25217	3.2
353.24625	4.9
419.33337	4.1
429.31277	5.5
437.33951	15.6
445.77625	3.1
447.32697	29.3
465.33945	33.1
483.34894	16.4
511.37674	5.2
521.36414	15.4
529.38623	10.6
539.37445	100.0
540.37469	4.0
557.38855	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.4
55.01870	28.7
55.05510	51.0
57.03432	22.8
57.07077	3.6
65.03953	5.4
66.20904	2.6
67.05502	70.6
69.03421	10.1
69.07064	26.4
71.04985	7.7
71.58525	4.7
72.12858	2.5
73.02966	2.3
79.05491	71.6
79.73005	3.1
81.03421	53.0
81.07058	79.8
81.07532	6.1
83.04982	15.1
83.08617	29.8
85.02878	2.7
85.06554	10.2
91.05470	57.3
93.07050	50.3
95.04960	50.0
95.08602	34.8
97.02903	5.2
97.06528	18.4
97.10163	21.0
99.08082	3.4
103.05508	3.4
105.04539	2.4
105.07037	45.0
107.04958	30.0
107.08582	36.8
109.06518	45.9
109.10157	22.8
110.07800	2.5
111.04438	6.5
111.08070	8.2
113.05993	13.4
115.05467	4.8
115.93295	2.5
117.07008	25.7
119.04915	4.5
119.08582	32.4
121.06489	20.6
121.10153	22.9
123.08088	10.2
123.11730	4.6
125.09622	21.3
128.06204	6.5
129.06993	20.6
131.04967	4.3
131.08574	33.6
133.06494	7.4
133.10078	15.0
135.08058	30.3
135.11719	10.0
137.05984	3.1
137.09625	8.2
141.07022	7.6
142.07814	7.3
143.08585	16.9
145.06506	13.7
145.10141	24.0
147.04425	4.0
147.08032	15.9
147.11708	10.6
149.09554	12.9
151.11230	3.5
153.09102	4.2
155.08607	9.9
157.06544	6.3
157.10130	20.1
159.08064	11.4
159.11723	10.8
161.09544	13.1
161.13344	4.8
163.11176	14.6
165.09134	6.2
165.12714	3.0
167.08597	4.2
169.10187	10.2
171.08057	5.2
171.11656	12.6
171.96571	2.9
172.08734	3.0
173.09679	11.2
173.13281	5.7
175.11182	13.5
176.27637	2.6
177.12788	4.4
179.08604	2.6
183.11739	7.0
185.09602	7.6
185.13318	3.3
187.11241	8.9
189.09607	3.1
189.11253	11.0
189.12782	6.0
191.14395	3.6
193.12294	8.4
195.11754	3.8
197.09711	3.5
197.13290	5.6
199.11238	10.1
201.12755	5.5
203.10571	3.1
204.64464	2.5
213.12793	3.7
217.15840	6.0
219.13829	8.8
223.11235	3.3
225.12891	3.5
227.12746	13.7
227.17882	3.9
233.15565	3.4
245.15440	5.1
245.19006	3.8
247.16945	5.1
255.17482	5.1
267.15909	9.3
273.18484	33.6
291.19513	36.3
291.26935	4.9
295.19867	3.1
297.18564	6.1
311.19940	4.9
313.21600	22.4
315.19754	5.3
319.19104	2.9
329.21338	3.2
337.22064	3.6
341.21133	6.6
347.22232	6.2
367.22794	4.0
369.24216	3.6
375.21338	3.1
429.27548	5.3
433.25873	7.8
447.28799	14.3
459.27850	3.4
465.30151	22.4
483.31335	12.5
501.31866	5.8
539.33734	27.2
557.34729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01861	1.7
65.03939	1.7
69.03429	2.3
70.06582	5.2
71.09572	2.8
79.05493	2.8
81.03423	2.5
84.04501	2.3
84.08140	2.4
85.02913	6.3
86.09698	2.9
91.05481	21.3
93.07053	3.6
94.04182	2.4
95.04960	3.3
99.04379	1.2
103.05464	28.1
105.03409	4.7
105.07033	13.7
107.01350	1.1
107.04961	4.0
109.02839	1.6
109.06499	6.0
110.07145	1.4
111.04440	1.6
115.05469	4.9
117.07034	1.9
119.04939	27.9
119.08593	3.1
121.06521	2.9
122.03653	4.5
123.08125	1.6
125.05936	1.3
127.03941	1.8
128.06203	2.8
129.07014	12.1
129.10249	1.3
131.04927	69.6
133.02852	4.6
133.06485	15.9
137.05975	100.0
143.04953	2.6
145.06517	2.4
147.04422	12.3
147.07976	2.3
149.05994	3.9
151.07536	18.0
153.05453	4.7
157.06487	11.2
159.08087	2.9
160.05196	3.0
161.05983	50.2
162.06717	2.8
163.07542	33.0
165.05457	2.6
172.05202	2.5
173.06068	1.7
174.06743	4.4
175.07542	30.4
177.05478	2.2
179.07040	14.5
187.07538	25.4
189.09116	18.5
191.08495	1.8
193.08638	2.6
203.08517	1.7
205.08543	8.8
205.10173	1.1
207.10161	2.2
217.08533	6.1
219.08160	2.4
231.08154	2.4
235.09663	2.6
247.07530	2.7
248.08400	2.8
251.10724	2.7
259.07516	1.9
271.09628	1.8
276.07727	1.7
279.10229	7.6
281.08099	1.9
283.09702	1.5
291.10226	7.0
308.10574	1.7
309.11221	5.6
311.12729	17.8
323.12659	10.3
329.13852	2.1
341.13809	13.8
386.45767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37858	1.8
53.03947	2.0
55.01872	4.8
55.05495	2.5
57.03423	2.6
60.98156	1.8
69.03430	7.0
70.06595	11.1
70.86785	4.5
70.87122	2.3
72.08149	2.8
79.05486	6.8
81.03431	3.2
84.08122	2.8
85.02898	13.3
86.09686	5.5
91.05475	39.5
91.37106	2.1
93.07035	4.7
95.04977	6.1
95.08601	2.2
97.02884	7.1
103.05472	27.0
105.03391	8.4
105.07039	13.9
107.04968	7.3
107.08555	2.3
108.70142	1.8
109.02892	2.1
109.06514	8.1
109.10197	1.7
115.05473	6.2
119.04939	45.8
119.08559	3.8
120.08086	2.7
121.06520	3.7
121.10076	1.8
122.03651	3.8
123.08094	3.5
127.03934	5.4
128.06206	2.5
130.10657	1.9
131.04924	48.3
133.02826	1.9
133.06494	16.8
135.04510	2.4
136.07549	2.4
137.05971	100.0
145.04948	4.2
145.06467	3.9
147.04404	25.4
147.08011	3.7
149.05986	7.2
151.07559	26.2
159.08034	3.9
160.05173	3.5
161.05972	30.2
162.06711	5.9
163.03905	1.9
163.07542	62.0
165.05498	2.6
167.07040	1.8
172.05148	2.9
175.07547	28.4
177.05409	5.1
179.07019	29.9
187.07521	14.8
189.09105	3.3
191.07080	4.2
191.08583	2.4
193.08614	8.3
199.07570	1.8
201.09157	2.1
205.08647	6.5
217.08669	8.3
219.08223	2.2
219.10175	2.0
235.09819	2.4
236.08176	2.1
251.10774	4.8
279.10141	6.6
291.10254	3.1
309.11108	23.6
311.12738	19.2
323.12775	4.0
336.47171	2.3
341.13834	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	556.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71188	0.4
53.72490	0.4
54.08735	0.4
54.92612	0.5
55.01855	0.8
67.05506	1.1
69.03407	1.1
70.06596	2.5
71.03818	1.4
72.08125	1.0
74.06102	0.6
80.05003	0.6
81.03403	0.8
81.07055	0.8
84.08138	1.2
85.02889	1.5
91.05475	4.1
93.07034	4.6
94.06559	0.9
95.04963	2.1
95.08569	0.6
97.02851	0.7
105.07014	0.7
107.08605	0.8
108.08108	2.1
109.06488	1.0
110.06052	0.8
111.08095	2.4
116.64301	0.4
117.06961	0.6
118.06499	0.5
119.04969	0.7
119.08553	0.8
120.08118	1.0
121.06489	0.9
121.10165	0.9
122.06054	0.7
124.07581	2.4
126.09170	0.8
130.05003	0.5
132.08086	1.4
133.10031	0.7
134.09647	2.3
135.08069	1.0
136.07582	5.0
137.05991	1.1
138.09149	0.7
148.07483	0.7
150.09155	1.0
152.07019	1.0
152.10704	1.8
153.01787	0.8
154.08644	1.0
160.07527	1.1
162.09132	15.5
163.07542	1.2
164.07028	0.7
166.08640	1.8
168.10185	2.5
176.07167	0.8
177.05481	0.7
178.08633	0.9
180.10193	11.0
184.07588	0.7
185.07056	0.6
187.08669	1.1
188.07068	0.7
190.08678	3.0
194.08098	0.7
197.07117	0.5
199.08635	2.3
200.09401	2.1
201.10309	0.9
204.10245	1.3
206.08008	0.5
207.06500	0.7
208.09683	20.7
211.08620	1.9
212.07217	0.5
212.09346	0.6
213.06590	1.2
213.10150	2.3
214.07353	1.5
215.08199	3.5
218.08112	2.3
220.09692	0.7
222.11278	0.6
223.08649	0.7
225.06567	2.3
226.10948	0.7
227.08170	3.7
228.08925	1.4
229.09715	4.9
230.08130	1.4
230.10405	0.6
231.11208	0.8
234.07556	1.2
237.10031	0.5
239.08095	2.6
240.08778	1.4
241.09819	2.4
242.06871	1.9
242.10490	0.9
243.07622	2.8
243.11320	2.5
244.09761	0.7
245.12912	0.8
248.09081	1.4
249.10086	0.8
250.10844	3.2
251.08063	0.9
252.09055	0.7
253.09741	1.8
255.07622	3.9
255.11328	1.1
256.08429	1.5
257.09201	8.4
258.09979	5.1
261.12341	0.7
262.14337	0.9
265.09799	0.6
267.07581	1.0
267.11276	0.8
269.09143	1.4
271.10739	2.9
272.11588	1.2
273.08847	1.1
273.12329	2.9
276.08630	5.3
279.07593	1.1
281.09213	1.0
283.07190	0.8
283.10693	1.0
284.07950	0.5
285.08682	9.2
287.10251	1.4
289.11810	8.7
295.10797	0.7
299.10291	3.9
301.08212	0.7
302.08975	2.3
302.17682	0.7
309.08704	0.7
311.10190	1.4
315.09760	2.4
315.13174	1.0
316.10568	8.2
317.11307	100.0
318.11624	3.1
329.11093	0.6
341.11047	0.7
343.12915	1.4
355.12912	2.1
358.15515	0.7
363.10117	0.6
367.13077	0.9
369.10922	1.4
371.12402	2.1
383.12238	3.3
385.14056	0.8
386.15106	0.8
414.14600	0.9
444.15375	0.7
474.16647	5.8
480.21442	1.7
492.17673	5.2
506.19357	3.2
524.20282	61.7
525.20801	2.8
542.21082	2.7
556.23328	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.6
55.01873	16.7
55.05272	2.4
55.05510	35.9
56.58362	1.8
57.03422	5.7
65.03940	4.2
67.05502	74.8
69.03432	2.6
69.06721	2.5
69.07062	26.3
71.04989	4.1
71.59326	2.8
73.06523	2.1
79.05490	100.0
79.51488	2.3
81.03415	11.0
81.06595	3.5
81.07059	61.9
83.04990	13.9
83.08614	12.6
85.02876	3.6
85.06528	3.9
85.24141	2.2
89.93296	1.9
91.05481	87.5
93.06478	3.9
93.07042	64.8
95.04974	26.4
95.08601	43.6
97.06522	24.5
97.10179	10.3
103.05457	4.7
105.07027	71.5
107.04964	18.9
107.08589	47.1
109.06514	10.3
109.10165	21.9
111.08080	3.4
113.09620	2.3
115.05470	4.1
117.07017	24.4
119.07794	3.9
119.08580	42.2
121.06496	6.5
121.10162	11.6
123.08052	5.2
123.11674	5.1
125.09615	8.7
128.06242	6.4
129.07007	17.5
131.08574	27.2
133.06485	3.1
133.10135	32.8
135.08072	4.3
135.11685	7.9
137.09613	3.6
141.06989	4.6
143.08580	15.6
145.06534	2.4
145.10120	32.0
147.08057	3.3
147.11670	35.7
149.09584	18.6
149.13258	3.9
155.08524	4.8
157.10104	9.4
159.08075	2.8
159.11694	16.4
161.09566	5.9
161.13255	16.0
163.11188	11.5
167.08453	2.4
169.10110	7.9
170.10785	2.5
171.11702	22.3
173.11845	3.0
173.13252	7.8
174.41458	2.2
177.12685	3.6
179.14333	6.8
181.10144	4.5
183.11638	10.3
187.11319	3.9
187.14771	5.4
189.11261	4.2
189.12776	7.0
195.11711	5.2
197.13284	5.5
201.12695	2.9
207.13817	11.8
209.13196	2.6
211.14839	2.3
215.17978	2.2
229.19473	5.6
235.55026	2.1
239.17912	5.8
257.18976	29.2
275.20056	65.0
281.17474	7.0
293.21066	4.2
313.21555	2.5
342.51443	2.2
349.23804	2.4
445.31165	3.7
463.32547	2.5
537.35504	8.8
555.36896	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01857	1.3
55.05507	2.5
57.03438	3.8
65.32004	0.6
67.05497	2.1
69.03078	1.2
69.03429	16.1
69.07056	1.3
70.06588	2.9
70.92953	1.6
71.04992	0.9
72.08141	1.8
73.02914	4.2
75.04471	0.7
79.05495	6.9
80.05009	3.8
81.03423	1.5
81.07055	3.0
84.04501	1.4
84.08148	1.8
85.02899	4.1
86.09707	1.3
87.04464	1.4
91.05481	7.6
92.95905	0.6
93.07043	36.0
95.04961	5.1
95.08602	2.6
96.04467	2.4
97.02890	10.0
97.06474	0.7
98.81077	0.7
99.04424	1.1
105.04538	0.8
105.06406	0.8
105.07009	4.7
107.08590	4.8
109.06539	1.2
109.10194	1.0
110.07208	0.8
111.04484	0.9
111.08082	2.0
115.03927	3.8
116.06224	0.6
119.08574	6.1
120.08942	0.8
121.06519	2.1
121.10143	34.4
123.08056	0.8
123.11684	0.9
124.03954	100.0
128.07063	1.0
129.07033	1.1
129.10248	1.2
129.96965	0.7
131.08586	6.3
133.10121	1.8
135.11679	1.2
137.05956	0.9
139.11183	1.1
145.10106	1.3
147.04433	1.7
149.09630	11.3
166.33455	0.7
167.10722	1.2
175.14818	3.0
176.15202	2.7
189.07591	0.8
191.10738	1.1
273.42743	0.6
281.13843	36.8
299.14917	6.5
413.18176	2.6
431.19250	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34723	1.9
52.65564	1.6
53.03944	2.8
55.05504	5.0
57.03429	8.8
59.04988	2.7
64.22099	2.0
67.05498	2.0
69.03094	2.9
69.03432	36.1
69.46964	3.4
69.47380	12.6
70.06577	6.8
72.08140	6.5
73.02895	7.5
79.05482	11.7
80.05020	4.0
81.03436	2.5
81.07041	7.0
83.26408	1.6
84.08137	7.0
85.02915	9.7
86.09699	4.4
87.04476	3.0
90.96634	1.8
91.05482	13.9
93.07043	72.7
95.04939	7.1
95.08604	3.1
96.04446	2.7
97.02888	23.4
99.04434	2.2
102.05538	4.8
105.07021	8.2
107.08598	9.6
111.08064	4.1
115.03919	7.3
119.04927	1.7
119.08589	10.6
121.06479	3.2
121.10139	63.1
123.08051	2.6
124.03951	100.0
129.10222	4.0
131.08577	8.5
136.07632	3.0
137.06009	2.0
138.05441	2.0
149.09624	24.6
152.36330	1.8
161.93927	1.7
164.07085	1.8
167.10722	3.7
263.12787	2.2
281.13840	79.5
299.14966	8.8
300.15845	1.9
303.05029	2.7
304.05267	4.5
305.05322	2.3
306.05792	1.7
316.69034	1.8
413.18005	4.6
431.19366	4.1
543.51984	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2981
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
50.29827	0.4
63.70260	0.5
67.06636	0.4
69.93352	2.4
82.25101	0.4
83.04980	1.0
93.07038	0.7
180.50305	0.5
184.07381	0.7
185.04265	1.9
201.03738	1.0
259.07965	1.3
275.07443	0.9
301.08887	0.7
311.10461	0.7
329.11176	0.7
330.11707	1.4
331.09995	3.4
345.11700	1.2
359.13318	0.6
373.14590	0.5
391.24548	0.7
401.17749	0.7
455.23087	0.5
483.22302	1.6
553.29834	100.0
554.30023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.05492	2.5
57.03428	9.8
57.71035	2.4
60.40226	1.8
61.02902	2.3
67.05483	3.7
69.03432	36.4
69.44883	5.6
69.45295	13.9
70.06581	4.2
72.08134	3.6
73.02934	10.4
73.03246	2.1
79.05487	16.1
80.05001	3.4
81.07027	9.6
84.08134	6.8
85.02899	8.7
86.09707	3.9
87.04478	3.6
91.05467	21.2
93.07036	91.8
95.04945	10.6
95.08604	4.8
96.04539	2.3
97.02887	24.5
99.04436	2.8
102.78935	1.9
105.07051	9.8
107.08566	9.5
109.06581	2.5
111.08090	5.1
115.03894	11.0
119.08566	11.7
121.10134	72.0
123.08070	2.9
124.03047	5.1
124.03951	100.0
129.10284	2.2
130.08591	4.1
131.08548	9.6
139.11182	2.4
147.04463	2.4
149.09613	33.7
150.05469	2.1
233.08058	3.0
259.65833	2.4
281.13818	95.4
299.14871	9.1
345.99588	2.2
413.17755	5.0
431.19275	5.9
472.25620	2.3
486.70944	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.5
66.84553	0.3
67.05518	0.8
70.34080	0.4
70.34420	1.5
79.05536	0.4
79.13850	0.4
81.07074	0.9
83.01089	0.5
83.04967	0.7
86.09684	0.6
91.05492	1.9
93.07025	1.0
95.01086	0.6
95.04996	0.7
105.07042	0.6
107.04942	0.8
111.04437	0.5
119.04930	0.7
121.06516	0.8
121.10181	0.4
131.04926	1.1
132.05780	0.8
135.04465	0.5
137.05983	1.0
139.03827	0.4
147.11543	0.4
149.06007	0.7
157.04712	0.6
165.05504	1.2
167.03415	3.8
167.07098	2.9
177.05489	1.9
179.07104	1.0
180.07797	2.0
184.03482	0.5
184.07217	0.8
185.04239	1.8
188.06146	0.3
191.07088	1.0
192.07837	0.7
194.05418	0.4
198.28423	0.4
201.03734	0.9
203.05226	1.9
207.02841	0.7
209.08101	0.7
254.02177	0.5
259.07977	1.7
268.99533	0.4
269.04477	5.0
284.03262	1.5
287.05499	0.7
297.03931	13.2
298.04425	0.4
314.55127	0.4
315.04947	0.6
325.03506	3.1
327.05011	3.3
331.10046	2.0
345.11688	0.5
359.13135	0.9
373.14578	0.8
391.24902	0.4
401.17789	0.6
402.19431	0.4
415.19324	0.8
441.21210	0.6
455.22098	0.5
483.22122	1.5
505.11392	3.3
507.12891	1.9
517.11481	2.0
518.12085	0.5
535.12335	8.0
553.13116	4.5
553.29846	100.0
554.13715	0.5
554.29980	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.05502	0.7
56.05009	0.7
57.03432	1.5
61.02895	0.6
67.05495	1.1
69.03412	1.4
70.06578	1.6
71.01344	1.0
71.57816	1.1
72.08141	1.1
73.02902	1.9
81.03402	0.9
81.07050	1.1
84.04457	0.6
84.08142	0.6
85.02903	5.1
86.09656	0.9
91.05479	1.5
93.07067	1.0
94.06554	1.0
95.01318	2.2
95.04951	1.1
97.02901	0.9
97.06527	0.6
99.04430	0.7
100.11221	0.6
105.07043	1.0
107.08581	0.8
113.02333	0.9
119.08559	1.7
120.04462	1.0
120.08075	0.7
121.10131	0.9
122.06038	1.5
131.03369	0.7
133.10130	0.9
136.07561	0.8
137.05986	1.5
138.09116	1.8
141.01802	1.8
142.23119	0.5
144.08092	0.6
147.04399	1.2
148.03894	1.2
153.50720	0.6
160.07529	0.6
163.03827	0.7
167.07030	0.8
173.07117	2.3
175.08568	0.6
175.14859	1.9
177.05534	0.7
184.07481	0.7
184.11240	1.5
186.09096	0.9
186.11484	0.7
187.08652	1.5
198.09222	0.7
200.09317	1.2
201.10291	1.2
201.13881	4.0
203.05316	1.8
207.06509	0.7
212.10744	5.3
213.06563	1.2
213.10201	0.7
214.10806	1.8
214.12549	1.2
215.08191	1.9
215.11736	1.1
226.08640	0.8
227.08185	1.5
228.08945	2.5
229.10025	3.1
229.13345	31.2
240.10213	2.4
241.09840	0.9
242.10437	2.6
243.11314	6.0
255.11247	2.1
257.12845	100.0
258.13217	2.2
285.12332	30.8
303.05002	2.4
304.05359	1.5
305.05585	1.9
323.68826	0.7
359.16016	33.5
360.16376	0.9
377.16998	43.3
378.17325	1.1
535.19696	1.7
553.22198	15.6
553.42822	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.6
56.05024	1.1
58.06594	1.6
59.07368	0.6
60.08163	16.6
67.05495	1.5
69.03416	0.7
69.07056	0.9
69.52133	0.4
70.06575	0.7
71.07370	6.9
71.08614	0.7
71.59284	0.6
79.05473	1.1
81.07047	1.9
83.04977	0.8
83.08640	0.6
86.09702	52.6
91.05459	1.1
93.07026	1.2
95.04963	0.4
95.08575	0.5
98.98472	4.1
104.10739	100.0
104.26573	0.4
105.07011	1.6
105.11060	0.4
118.80973	0.6
119.08533	1.1
121.10107	0.5
125.00000	28.7
129.53136	0.4
131.57965	0.5
133.10077	0.4
143.01033	1.1
163.01559	0.5
166.99588	0.4
175.05592	0.5
184.07335	90.6
198.06552	0.5
198.34837	0.4
258.11026	1.4
271.02011	0.5
295.12305	0.4
320.13318	0.4
534.31909	8.8
552.33008	29.9
553.33313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01851	0.5
55.05497	0.5
57.03416	1.3
67.05494	0.9
69.03411	1.0
69.28159	0.4
70.06564	1.4
71.01330	1.3
71.58692	1.0
72.08163	0.7
73.02925	2.5
79.05478	0.8
80.04956	0.4
81.03387	1.0
83.01306	0.6
83.04973	0.8
84.04500	0.7
84.08098	0.6
85.02489	0.5
85.02897	4.5
86.09692	0.5
91.05454	1.0
92.04959	0.7
93.07047	1.1
94.06542	0.5
95.01298	2.1
95.04937	1.3
97.02862	0.8
97.06505	1.2
99.04420	0.5
101.02362	0.7
103.03909	0.6
103.05475	0.7
105.07021	1.0
113.02348	1.1
119.04962	1.0
120.04424	1.2
120.05242	0.6
120.08141	0.5
121.06541	0.5
121.10143	1.2
122.06014	1.8
124.07584	0.5
131.03377	1.0
131.08533	0.6
136.07539	0.8
137.05920	1.0
138.09131	2.0
141.01805	1.8
143.08539	0.7
144.08017	0.5
147.04390	3.4
147.16182	0.4
148.04744	1.7
155.30544	0.5
160.07558	0.6
166.04959	0.7
167.06967	0.6
169.05020	0.6
169.08839	0.5
169.10141	0.4
171.10379	0.7
172.07492	0.5
173.07053	2.2
174.09149	0.7
177.05481	0.7
177.75807	0.5
184.07547	0.5
184.11237	1.1
185.07005	0.4
186.09180	0.6
186.11458	1.1
186.12848	0.7
187.08679	1.9
189.10277	1.1
191.07068	0.5
194.09479	0.5
198.09160	0.7
199.08543	0.8
200.09338	0.9
201.10205	1.4
201.13840	4.5
207.06396	0.6
208.09698	1.0
209.10049	0.5
212.10736	5.8
213.06627	1.0
214.10649	0.7
214.12248	1.6
215.08397	2.1
215.11766	1.2
226.08542	0.6
227.08116	1.1
228.08858	2.8
229.09970	3.2
229.13330	32.8
230.11757	1.0
230.13754	0.5
239.11768	1.2
240.10219	1.6
241.09683	0.8
242.10435	2.7
243.11302	6.0
255.11243	0.9
257.12827	100.0
258.13190	1.3
259.09604	0.7
285.12311	31.6
303.04907	0.6
303.08237	0.5
359.15982	34.2
360.16144	0.6
377.17047	45.3
378.17310	1.0
535.19177	1.2
553.20044	1.3
553.28217	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.6
57.22432	0.2
58.06616	0.4
60.08162	6.9
61.40301	0.2
63.29074	0.2
67.05511	0.2
69.79031	1.2
71.07371	3.5
72.72304	0.2
77.23499	0.2
79.94315	0.2
86.09704	33.9
89.14085	0.2
98.97855	0.3
98.98458	3.4
98.99030	0.2
104.10738	4.6
114.87370	0.2
125.00002	23.1
143.01054	0.4
184.07333	100.0
185.07697	0.7
191.01875	0.2
218.10841	0.2
299.84283	0.2
338.51407	0.2
342.97107	0.2
534.32062	1.6
552.33160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04251	0.1
50.94824	0.1
51.80661	0.1
53.14552	0.2
56.05026	0.6
58.06350	0.2
58.06615	0.5
60.08162	6.8
67.05494	0.2
69.54914	0.3
69.55307	1.4
71.07371	3.5
74.02754	0.2
79.05488	0.2
79.40419	0.2
81.07047	0.4
86.09702	32.9
91.05477	0.2
95.44355	0.2
96.28750	0.1
98.98464	3.3
104.10738	8.8
105.07018	0.2
113.95549	0.2
116.99463	0.2
120.04461	0.1
124.99998	24.3
143.01006	0.3
150.97572	0.2
169.37057	0.1
184.07330	100.0
185.07669	0.7
258.11078	0.3
276.20987	0.2
534.31946	1.7
552.32983	3.7
561.99005	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	552.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.6
57.03409	1.5
61.02910	1.4
62.83213	0.7
65.46629	0.7
67.05495	1.9
69.03420	1.7
69.07063	10.3
70.06594	4.4
71.57806	1.1
72.08146	4.2
78.31870	0.8
79.05485	1.4
81.03426	1.0
81.07050	3.6
82.06573	5.2
83.08575	1.7
84.04511	1.3
84.08120	1.9
85.02913	5.3
86.09683	2.1
88.03993	1.1
91.05463	5.3
93.07027	5.3
95.04967	1.0
95.08611	6.4
96.08106	1.1
97.02903	3.0
103.05435	1.1
105.07030	9.3
107.08591	6.3
109.02837	0.9
109.06537	1.0
109.10164	4.0
111.00800	1.0
116.07123	0.7
117.06998	1.2
119.04969	1.7
119.08578	36.2
120.08102	4.3
121.10149	4.8
122.37894	0.9
124.03963	0.9
124.07621	0.8
128.07080	9.1
129.10193	1.0
131.04903	1.7
133.10130	31.7
135.11690	11.4
136.07582	1.8
137.02336	2.2
137.05963	1.1
137.09605	1.6
138.02649	1.2
142.08643	1.1
145.10086	2.6
147.04396	5.5
147.11681	5.8
153.01811	1.4
160.12494	1.3
162.11362	0.9
166.08627	2.4
170.08110	1.0
173.13312	1.2
175.14821	100.0
176.15131	1.4
177.03322	1.5
177.05496	1.2
177.16347	4.3
187.10776	3.8
193.15886	9.0
215.10284	2.1
230.05171	1.7
295.13327	0.8
303.04999	15.9
304.01877	1.2
304.05328	24.0
305.05469	1.9
328.21039	1.6
372.23993	1.4
534.28851	2.7
552.27478	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83910	7.8
55.05488	20.3
57.07070	50.0
67.05480	32.2
69.07056	18.8
71.08616	29.8
71.18446	7.8
79.05486	22.7
81.03413	47.6
81.07046	39.8
83.04977	10.3
83.08608	24.5
85.02894	21.6
85.10160	17.7
91.05468	29.9
93.07036	19.6
95.04947	27.3
95.08622	34.4
97.10106	8.0
105.07001	16.3
109.10147	16.2
119.08563	17.4
123.11685	10.8
129.07037	8.1
131.08521	10.3
133.10120	12.0
147.11655	8.7
175.11122	11.4
193.12166	35.0
211.13275	62.5
229.70963	7.3
267.15744	12.9
280.20993	7.3
551.43054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.3
55.01862	5.4
55.05513	4.1
58.82198	3.5
65.03934	4.4
67.05510	20.0
67.77532	3.4
69.03416	13.0
69.54647	30.6
70.06583	6.5
71.04975	6.5
72.08152	4.3
73.02914	8.7
76.02219	8.5
79.05487	16.3
81.03400	12.7
81.07056	16.5
83.04956	4.2
83.96684	3.7
85.02888	17.9
85.06535	8.6
86.09712	3.6
91.05487	49.9
93.03410	3.7
93.07037	53.3
95.04947	11.9
95.08604	40.8
97.02889	10.6
97.06526	7.4
98.21485	5.1
105.07023	17.9
105.79075	3.7
107.04964	6.4
107.08588	14.9
109.02889	5.3
109.06543	4.1
109.10178	3.9
111.04407	5.0
111.08026	3.6
113.05996	5.1
117.07010	16.0
119.04923	5.7
119.08580	92.4
121.06493	7.1
121.10130	16.9
123.04412	7.9
123.08057	17.9
123.11699	4.9
127.03938	6.7
129.06976	8.9
131.04907	4.3
132.64508	3.4
133.05420	3.8
133.06444	4.7
133.10126	4.6
135.08070	6.9
135.11635	6.4
136.06181	12.8
137.05948	17.9
137.09633	16.8
145.10081	5.2
147.04420	25.0
147.08055	45.6
147.11705	8.5
149.06274	3.3
149.09616	72.0
151.03917	17.0
151.07516	6.0
161.13266	11.4
163.03935	4.6
165.09096	29.2
165.12720	3.5
167.07016	12.8
171.11670	5.7
174.10393	6.5
177.05411	6.8
183.10234	6.5
189.12680	31.0
191.07219	3.8
200.53003	3.1
207.06532	7.0
207.13792	100.0
216.82068	4.2
219.10217	13.3
221.10722	5.4
303.04877	9.7
327.14313	6.7
371.15060	7.3
373.15564	5.4
486.35269	3.8
520.20667	3.9
525.66089	3.9
551.26917	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	551.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97542	0.4
53.84682	0.4
55.05507	0.7
67.05502	1.8
68.55623	0.4
69.03412	0.7
69.07056	0.8
70.53987	1.8
76.25682	0.5
79.05495	0.8
81.07040	1.8
83.04918	1.0
83.08625	0.7
86.09722	0.9
90.92777	0.5
91.05498	1.3
93.07051	1.2
95.08587	0.8
97.06525	0.5
104.10754	1.0
104.13271	0.5
105.07037	0.6
107.08547	0.6
108.97148	0.4
109.10154	0.5
111.04453	1.0
111.65772	0.5
119.04961	1.0
119.08569	0.6
121.10227	0.6
124.99958	0.5
140.06377	0.5
145.10199	0.7
147.04405	0.8
166.08984	0.4
169.04756	0.5
175.03899	1.4
184.07346	1.2
207.06540	3.4
213.12570	0.6
245.05325	0.5
259.07916	0.7
303.05066	1.9
329.10608	0.5
365.15475	0.7
389.22931	1.0
487.88467	0.5
551.28247	100.0
552.28674	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	551.2822
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
52.75467	0.5
55.05503	0.7
56.05017	0.6
56.72867	0.6
60.08144	1.0
67.05489	1.8
68.49685	0.5
70.06592	0.7
71.07371	0.8
71.58640	0.8
71.85361	0.6
79.05498	1.1
81.07044	1.2
83.04976	1.3
85.02909	0.8
86.09712	4.6
86.80055	0.6
91.05494	1.3
93.07039	1.1
95.08616	0.8
104.10759	2.7
105.07038	0.9
105.11086	0.6
109.10123	0.8
110.50298	0.5
111.04395	1.0
119.08593	0.9
121.10111	0.6
125.00008	2.9
132.59396	0.6
133.10069	0.7
136.17488	0.5
149.91730	0.5
184.07326	14.0
203.05280	0.8
216.19803	0.6
216.62383	0.6
232.76747	0.5
259.07983	1.2
329.11304	1.2
389.22916	1.6
389.83624	0.5
551.28247	100.0
552.28448	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	551.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	1.3
53.03952	3.1
55.01868	3.6
55.05503	9.9
57.03431	8.8
57.07056	1.5
59.05002	1.3
60.04499	1.6
61.02929	6.1
67.05504	4.8
69.03429	17.9
69.07063	17.6
70.06590	4.9
71.01350	6.3
71.04979	4.8
71.57555	1.3
71.57986	2.4
72.08148	3.5
73.02914	11.3
75.04517	1.4
76.97804	1.2
79.05492	4.5
81.03423	8.4
81.07059	12.8
83.01346	3.0
83.04976	5.5
83.08628	5.0
84.04509	1.8
84.07676	1.5
84.08146	6.0
85.02904	100.0
85.06529	11.1
86.09674	2.7
87.00841	2.0
87.04449	2.1
91.03947	3.7
91.05480	3.9
93.07034	8.5
95.01328	34.6
95.04946	2.0
95.08598	19.3
97.02890	32.4
97.03513	1.7
97.06528	4.6
97.10171	4.7
99.00807	3.0
99.04429	2.5
99.08102	9.1
101.02385	4.1
103.03939	4.4
103.05489	1.9
105.07034	2.9
107.08576	11.1
107.09126	1.2
109.02880	8.3
109.10175	7.2
111.08094	1.7
111.11701	3.9
113.02354	8.9
113.09643	4.3
115.03844	1.8
121.06412	1.2
121.10139	19.0
123.04470	1.5
123.11696	4.3
125.09618	3.0
127.03903	23.2
131.03421	7.0
131.04924	3.1
135.10744	1.6
135.11668	9.6
137.02293	2.1
137.05992	3.5
137.13261	10.5
139.11180	3.9
141.01820	93.3
145.04944	24.6
147.04413	3.8
149.13281	1.8
151.14832	2.2
153.01897	2.1
153.12767	4.2
159.02898	12.5
161.02272	1.3
163.03870	3.2
163.05983	4.1
163.07375	1.7
167.03279	1.4
167.07040	3.3
177.05547	1.4
177.16386	57.0
181.04938	2.3
195.17447	24.3
198.07863	1.8
199.08701	2.4
199.12294	2.8
201.05437	1.5
210.09103	3.4
211.08604	2.0
212.09320	2.2
213.10193	1.7
213.18484	38.0
215.06993	2.4
225.06519	1.5
226.07333	2.5
227.08134	4.2
227.11731	11.1
229.05014	1.7
229.09671	1.8
239.08199	1.8
240.08984	6.7
241.09778	6.2
255.11276	41.8
256.11810	2.0
259.09573	3.7
268.08618	1.9
283.10736	12.4
287.05243	1.5
303.04987	33.7
304.05276	2.6
357.14468	17.7
374.04333	2.3
375.15396	17.9
376.15970	1.7
389.29568	1.6
463.99496	1.4
551.27313	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	551.246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15586	0.7
53.78768	0.6
53.94681	0.7
53.96216	0.6
55.01870	1.0
55.05507	1.0
67.05492	2.1
69.03426	0.7
69.07055	0.8
70.06577	1.8
70.77171	1.4
70.77563	1.2
72.08137	0.5
79.05486	1.6
81.03433	0.8
81.07047	2.0
83.08643	0.8
84.08121	0.8
85.02908	2.4
85.06567	0.7
86.09641	0.6
88.50119	0.7
91.03912	0.6
91.05487	4.1
92.42246	0.7
93.07040	2.0
93.54720	0.7
95.08604	1.2
97.02917	1.1
99.04439	0.7
103.05457	1.0
105.07047	2.0
107.08580	1.7
111.04390	0.7
111.93819	0.7
117.07006	1.0
118.06551	1.5
119.04965	0.9
119.08560	3.1
120.08091	0.7
121.10177	1.5
127.03880	0.7
129.06943	0.7
131.04953	0.7
133.10091	0.9
137.05969	2.6
145.10182	0.6
146.06023	2.6
147.04420	1.2
147.08031	1.3
163.11195	0.6
167.07051	1.9
177.05484	1.7
188.07118	1.4
200.18028	0.6
205.08403	5.0
207.09949	0.7
223.09448	3.1
244.20740	0.7
272.20026	3.4
295.06335	0.7
303.05103	1.5
309.13034	0.8
349.12488	2.2
351.14136	18.1
351.18353	1.0
357.13812	0.6
360.26208	0.6
364.24893	1.9
367.13666	6.9
369.15234	13.8
477.15601	1.7
489.24570	5.6
533.23260	1.6
533.30084	1.1
551.24622	100.0
552.24976	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.6
55.01862	4.9
67.05509	1.7
69.03431	3.7
70.02102	8.3
70.06590	11.0
71.04962	2.3
73.63877	1.3
76.77747	1.5
79.05484	11.9
80.27493	1.6
81.03416	2.6
84.08131	2.8
85.02917	5.8
86.09687	2.0
91.05479	6.3
95.04946	4.3
97.02901	1.8
98.20811	2.3
103.05474	26.6
105.07031	72.8
107.04949	2.9
110.07198	1.5
110.91077	1.5
115.05471	16.7
116.58913	1.4
117.03429	1.5
118.04169	12.1
119.04961	5.0
120.08118	2.6
127.03901	2.7
131.04932	16.9
133.06493	68.7
137.05978	5.8
143.04980	1.9
143.06052	5.7
147.04401	10.0
148.05193	8.3
161.05989	100.0
163.03818	2.0
163.07521	11.4
167.07072	2.3
175.07552	1.9
177.05469	3.7
191.07033	70.8
193.08609	45.0
224.87524	1.6
259.09540	1.7
287.05478	2.7
303.04993	16.0
315.12830	2.4
344.12643	2.0
357.13971	1.6
367.39404	1.7
370.16809	1.5
452.04279	1.7
515.87970	1.6
519.15302	2.9
551.17859	6.1
551.26813	4.8
554.20404	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1546
Annotation	Antibiotic DC 114C
Peak:m/z	Relative Intensity
52.63629	0.5
55.05514	0.8
57.03378	0.5
65.03947	0.4
66.94343	0.5
67.05504	1.4
69.03419	0.5
78.04700	0.5
79.05497	1.2
81.07061	0.9
83.04974	2.1
85.02884	0.6
86.09687	1.5
91.05470	1.8
93.07039	1.3
95.04975	1.7
102.88324	0.5
103.05457	3.5
104.06255	0.6
104.10773	1.2
105.03394	0.6
105.07015	0.9
106.04155	0.5
107.04980	0.5
109.06510	1.0
111.04428	1.3
115.05417	0.7
117.03326	0.9
117.07005	0.7
118.04135	1.6
119.04908	0.6
119.08575	0.7
120.02097	1.0
121.02861	1.0
121.06504	1.9
121.10204	0.5
123.04455	1.3
125.00014	0.8
130.04099	0.8
131.04935	4.3
132.05725	2.1
133.02846	1.2
134.03722	0.6
135.04373	0.8
137.02444	0.5
137.05994	0.9
138.03127	0.8
146.03615	0.9
147.04437	1.4
148.05183	0.9
149.02333	0.8
149.05975	1.8
151.03928	0.8
157.06601	0.6
160.05162	1.1
165.01891	1.2
165.05426	1.4
166.02640	1.5
167.03360	0.6
167.07047	6.1
167.08292	0.8
173.05840	0.6
176.04710	1.8
177.05476	2.7
178.06174	1.1
179.03482	0.6
181.04964	8.6
181.06468	0.8
184.07384	2.4
185.05867	0.5
187.03821	0.5
191.06996	2.8
192.07832	3.0
195.04448	0.5
197.06059	0.7
213.05469	1.9
214.06204	0.8
216.89227	0.5
225.05527	1.0
226.06415	0.7
227.07045	1.0
229.08586	0.8
237.05545	0.6
239.07162	0.5
241.05009	2.6
242.05728	1.9
251.07060	0.6
252.04228	0.8
252.08078	0.6
253.04907	2.4
255.06537	1.3
256.03833	0.6
257.08063	2.8
265.04984	0.8
267.06442	0.7
268.03650	1.0
268.07330	1.6
269.04446	8.5
270.05157	5.5
271.06094	0.9
281.04523	1.4
282.05304	0.7
283.02811	0.7
283.05859	2.7
284.03171	2.3
285.07584	8.0
297.03986	7.8
297.07565	2.0
298.04803	4.3
298.07956	0.8
299.05496	4.9
299.08682	0.7
309.04050	0.8
309.07663	1.6
311.05505	1.5
312.06174	0.8
313.07037	38.6
314.07394	1.1
324.06317	1.3
325.03470	0.8
325.07211	0.7
326.04349	1.0
326.07901	1.5
327.04947	2.0
327.08511	0.9
328.05795	1.2
340.05753	1.2
341.06522	11.6
341.10318	0.9
342.07330	7.5
343.08054	6.4
351.04654	0.8
353.06638	0.9
355.08215	1.5
383.07730	1.2
387.33704	0.7
397.08951	0.6
457.08990	0.6
475.10052	1.0
487.10156	0.6
489.11859	0.9
503.09882	1.4
517.11298	1.1
518.11853	1.2
521.14429	2.3
533.14484	17.8
534.14862	0.7
551.15460	100.0
551.27551	6.7
552.15692	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	551.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.5
51.61471	0.4
53.03936	1.9
55.01861	1.0
55.05503	0.8
56.96559	0.5
57.03426	2.4
57.62695	0.4
61.02919	2.1
67.05484	1.8
68.99777	1.0
69.03080	0.6
69.03425	9.0
69.07067	0.8
69.62450	2.3
69.62862	0.8
70.06593	1.1
71.04973	1.2
72.08123	0.6
73.02907	2.2
74.46126	0.4
79.05486	1.6
81.03411	10.0
81.07045	1.5
83.01344	0.7
83.04977	1.2
84.08154	0.7
85.02900	12.3
86.09682	0.9
87.00816	4.0
89.03895	2.1
91.05473	3.9
93.07034	2.0
95.04971	1.4
95.08591	1.4
95.50918	0.4
97.02896	5.0
99.04455	3.2
101.87925	0.4
103.03925	0.6
103.05473	1.1
105.01864	2.7
105.07007	2.0
107.01320	0.8
107.04938	2.3
107.08566	1.4
109.02869	7.4
109.06525	1.0
109.10139	1.0
111.04411	1.0
117.01894	0.7
117.03360	3.3
117.07007	0.7
119.04924	1.9
119.08573	2.7
121.02827	0.5
121.06474	0.8
121.10135	1.5
123.04420	1.5
123.08043	0.7
123.11673	0.4
124.01556	2.1
127.03900	11.8
129.01849	1.0
129.06985	0.7
130.04948	0.5
131.04930	2.5
131.08522	1.2
133.02887	0.6
133.10080	0.9
135.04407	7.8
135.11690	0.7
136.05237	0.7
136.06131	2.7
137.02330	1.0
137.05968	4.9
137.09586	0.5
139.03897	2.0
141.07016	0.5
145.02838	7.0
145.04961	2.0
145.10080	1.0
147.02893	0.5
147.03279	0.6
147.04395	4.1
147.08040	1.1
147.11771	0.5
148.04752	0.7
149.05977	0.6
149.09550	1.1
151.03891	0.6
151.07497	0.7
152.01033	14.9
153.01836	3.0
159.02861	4.3
161.05904	0.9
163.03893	36.3
163.07553	1.3
163.11221	1.0
165.09108	0.5
167.03389	83.1
167.07030	4.5
169.06502	0.6
169.84404	0.5
170.02100	18.0
175.03893	2.8
175.07457	0.8
176.04225	1.0
177.05540	0.9
178.02586	1.8
184.54149	0.4
193.04971	3.5
193.08754	0.6
197.05942	1.5
201.05475	0.7
207.06479	5.4
207.13797	0.7
208.06798	3.2
211.07397	0.6
219.10114	0.6
225.05461	2.1
231.04922	1.4
239.07031	1.4
242.05705	0.7
243.06644	1.2
245.04387	0.5
253.04967	4.5
257.08035	1.6
267.06598	1.4
270.05212	1.1
271.05939	1.5
273.03925	1.3
285.07574	5.2
288.06284	2.8
303.08597	100.0
304.09085	1.5
311.98956	0.6
317.24722	0.5
335.25659	0.6
345.09821	0.7
403.60861	0.5
442.53683	0.5
503.21591	0.4
514.43488	0.5
551.13763	0.9
551.23279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01872	2.2
56.05029	0.3
57.03445	1.2
61.02909	1.1
61.25297	0.3
61.68982	0.3
62.90965	0.2
65.03935	0.6
67.05495	0.5
68.99789	1.5
69.03083	0.5
69.03426	6.3
70.06590	2.2
71.01328	0.3
71.04986	1.1
72.08141	0.5
73.02919	1.2
79.05479	0.9
81.03413	7.7
81.07076	0.3
84.04480	0.5
84.08138	6.8
85.02901	11.3
86.09689	1.0
87.00819	5.0
91.03944	0.6
91.05476	0.7
93.03404	0.7
93.07056	0.4
95.04966	0.5
97.02295	0.3
97.02885	5.5
97.06508	0.4
99.04445	2.4
103.05466	1.2
105.01861	2.9
105.07022	2.6
107.04960	0.5
109.02876	6.9
110.07143	0.3
111.00775	0.9
114.10330	0.3
115.03932	0.3
115.05434	0.4
117.01839	0.9
117.07027	0.5
119.04971	0.3
120.08075	0.4
121.02885	1.2
123.04458	0.4
127.02961	0.5
127.03905	9.9
129.01854	0.6
129.10201	0.3
130.08632	0.7
131.04913	0.9
133.06491	2.4
137.02327	3.8
137.03311	0.4
137.05992	1.0
143.25525	0.2
145.04932	2.6
145.06464	0.5
147.02831	0.5
147.04401	0.5
147.11351	0.3
149.02296	0.3
149.05995	0.5
152.06996	0.3
153.00703	0.4
153.01823	4.1
153.46362	0.2
159.02884	4.6
160.05002	0.2
161.05983	3.9
163.03825	0.6
163.07463	0.5
165.01817	1.9
167.07045	0.6
173.05948	0.7
177.05450	0.7
181.04945	1.0
183.02902	0.8
187.03975	0.4
189.05556	0.2
191.06996	1.6
193.08607	1.3
195.02853	0.3
201.05513	1.7
209.08098	0.8
215.07054	0.3
227.08287	0.3
228.04362	0.4
229.04982	4.8
231.05020	1.1
239.03743	0.3
241.09755	0.3
242.10257	0.3
247.06009	0.9
257.04459	3.4
259.09836	0.3
268.11786	0.4
269.12271	0.3
274.04892	0.5
285.03842	1.6
303.04974	100.0
304.05328	1.0
315.12372	0.5
342.12198	0.5
343.12323	0.5
344.12665	0.7
345.06073	0.7
357.06088	0.3
359.14783	0.4
371.14862	0.4
371.29080	2.0
374.04556	0.4
389.30185	1.9
411.07449	0.3
491.15509	0.7
519.15155	2.4
534.11316	0.3
551.18140	1.2
551.27136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49248	0.2
55.05505	0.6
56.05028	0.9
58.06609	0.4
60.08163	6.8
67.05505	0.5
69.28055	2.6
71.07374	3.1
76.92550	0.2
79.05489	0.5
81.07021	0.4
86.09705	31.5
91.05473	0.5
98.97839	0.4
98.98466	3.4
104.10742	4.2
125.00002	21.3
132.17807	0.2
143.01045	0.5
184.07338	100.0
185.07730	0.4
192.96373	0.2
258.10883	0.3
386.12750	0.2
489.71466	0.2
532.29987	1.0
550.24146	0.3
550.31427	4.1
559.35614	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	551.1032
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.44760	0.2
53.03946	1.9
55.01872	2.0
56.21930	0.2
56.48724	0.2
56.53072	0.2
57.03426	1.4
61.02930	1.2
68.99789	1.7
69.03428	6.7
69.76991	1.2
71.04994	1.0
73.02927	1.7
81.03418	8.8
83.01334	0.3
85.02905	12.6
87.00304	0.3
87.00830	6.1
91.03961	0.4
93.03380	0.3
95.04980	0.2
97.02889	4.8
98.20774	0.3
99.04451	2.8
105.01865	2.9
108.31518	0.2
109.02124	0.4
109.02878	7.2
111.00785	1.0
114.72756	0.2
117.01859	1.3
121.02872	1.0
123.04427	0.2
127.03921	8.9
129.01860	1.0
133.51279	0.2
137.02339	3.6
137.03391	0.2
145.02704	0.2
145.04965	2.6
145.06067	0.3
145.06534	0.2
147.02893	0.4
149.02328	0.2
153.01833	4.7
155.04897	0.3
159.02895	3.9
161.05983	0.5
163.03917	0.8
165.01834	2.3
173.04597	0.2
173.05974	0.4
177.05394	0.2
179.03413	0.2
179.44159	0.2
183.02930	1.0
183.04323	0.3
187.03909	0.4
195.02884	0.3
201.05455	2.2
205.04797	0.3
219.02849	0.2
219.06570	0.4
229.04964	5.1
231.05009	1.2
247.05966	0.8
257.04404	2.9
274.04706	0.8
285.03943	1.5
290.87820	0.2
303.04984	100.0
304.05307	1.1
345.05923	0.4
391.35318	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	550.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
56.05027	0.7
58.06607	0.3
60.08158	7.1
61.42717	0.2
67.05500	0.6
69.73039	1.2
69.73446	0.6
70.06597	0.3
71.07374	3.4
79.05480	0.3
81.07060	0.4
83.04987	0.2
83.62812	0.2
86.09702	34.4
91.05483	0.4
93.07054	0.3
95.08617	0.4
98.98459	3.1
104.10726	3.8
124.99997	23.1
141.47993	0.2
143.01048	0.7
167.06787	0.2
171.59317	0.3
184.07332	100.0
185.07706	0.5
207.06458	0.3
312.53589	0.2
323.91074	0.3
369.30545	0.2
408.83423	0.3
410.58331	0.3
413.84897	0.3
446.22873	0.5
464.24008	2.1
477.69241	0.3
516.30664	0.3
545.57489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
56.05029	0.7
58.06606	0.6
58.34962	0.3
59.07384	0.3
60.08163	7.4
65.81918	0.2
67.05491	0.3
69.03441	0.3
69.07084	0.3
69.59839	1.5
71.07372	4.0
77.01311	0.2
79.05492	0.5
81.07069	0.6
83.05010	0.4
86.09703	35.0
93.07070	0.4
98.98460	3.0
104.10740	9.3
107.08566	0.3
125.00002	23.7
131.08583	0.3
143.01085	0.4
147.22687	0.3
184.07335	100.0
193.20848	0.2
246.87846	0.3
258.11136	0.3
313.50705	0.2
411.77115	0.2
532.30347	1.8
550.31354	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
56.05025	1.4
58.06600	1.7
59.07355	0.4
60.08163	15.7
62.76211	0.4
67.05505	1.5
69.03427	0.6
69.07063	1.0
70.06569	0.6
71.05000	0.4
71.07377	7.0
71.58770	0.7
79.05489	1.6
81.03421	0.6
81.07053	3.0
83.04958	0.8
86.09703	46.1
91.05473	1.3
92.22052	0.4
93.07067	0.9
95.04982	0.9
95.08607	1.0
98.98470	4.4
104.10741	100.0
105.06998	1.1
107.08668	0.5
111.04451	0.5
116.61312	0.5
119.08574	0.6
121.10110	1.1
125.00001	23.8
143.01097	0.8
147.11665	0.5
184.07338	86.7
188.81207	0.4
232.90845	0.5
233.16486	0.5
237.60347	0.5
258.11182	1.2
375.76361	0.5
440.02368	0.5
532.30383	8.0
546.94012	0.5
550.31439	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	550.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.8
67.05518	0.6
68.06960	0.5
68.20344	0.5
69.92009	3.1
70.06590	1.0
79.05446	0.7
81.03412	1.0
81.07066	0.6
83.04986	0.6
84.08128	0.7
85.02893	0.7
86.09657	0.5
91.04895	0.9
91.05477	16.5
93.07025	0.5
95.04944	0.5
103.05457	0.6
105.07015	0.5
109.02927	0.7
119.04939	23.9
121.02873	0.5
121.67854	0.6
132.02049	1.3
133.47838	0.6
136.05161	0.5
136.06181	0.5
137.05980	1.2
145.02898	0.7
147.04401	25.1
149.02309	0.8
157.03954	2.6
164.04643	0.8
175.03905	35.9
176.04506	0.6
177.05466	0.8
179.06992	2.2
192.04243	0.7
199.50850	0.5
207.06517	100.0
208.06798	0.8
225.07695	0.7
226.58249	0.5
239.93729	0.5
297.23776	0.6
341.79251	0.5
351.10535	0.7
369.11807	1.0
377.94290	0.5
446.23254	0.5
550.23700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01864	0.9
55.05507	0.5
65.03926	0.7
67.05517	1.2
69.03432	1.5
70.06579	1.1
71.58539	1.0
73.02896	1.1
79.05495	2.2
79.68979	0.4
81.03412	2.4
81.07045	0.7
83.19794	0.5
84.08138	0.7
85.02889	2.6
85.06571	0.5
91.05476	12.6
93.03397	0.9
93.07039	8.7
95.04978	1.6
95.08604	1.2
97.02878	2.5
103.05481	0.5
105.07045	1.4
107.04962	0.5
107.08601	0.7
109.02874	0.9
109.06467	0.6
111.04440	1.0
117.06993	3.0
119.04861	0.4
119.08576	18.2
120.08092	0.4
120.08838	0.4
121.06472	1.1
121.10151	1.3
123.04453	0.8
123.08055	0.6
123.11640	0.4
125.77233	0.4
127.03914	1.2
128.06232	0.8
129.06999	1.8
132.04448	5.6
133.10121	0.6
135.08022	0.5
137.09610	0.9
145.04967	0.6
147.04362	0.7
147.08044	10.0
147.09212	0.7
148.07591	0.4
149.09619	0.6
165.09128	4.6
167.07030	0.7
169.69778	0.4
175.14749	0.4
177.05534	0.6
178.04987	55.0
179.05353	0.6
206.04475	100.0
207.04764	1.3
211.08687	0.6
212.09126	0.6
213.10222	0.6
214.10469	0.5
225.07587	0.4
225.10248	0.6
226.10544	1.0
231.08557	0.8
241.09814	0.5
241.12917	0.5
242.09946	0.6
254.09973	0.8
257.12848	0.7
258.13098	1.1
268.11960	0.6
269.12561	0.6
296.11252	0.5
303.04919	0.9
313.11725	1.1
314.12155	2.7
315.12766	1.0
342.11746	0.6
343.12338	1.5
368.09586	0.6
374.14182	0.8
490.15250	2.8
514.16974	0.5
518.14899	3.9
532.18176	3.5
550.17401	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	550.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30307	0.3
53.03956	1.0
55.01870	0.7
55.05515	0.8
57.03430	0.5
58.24886	0.3
61.02919	0.3
65.03959	0.6
67.05505	0.9
68.63702	0.3
69.03443	1.8
70.04403	0.3
70.06588	1.2
71.04991	0.4
71.57616	0.4
72.08160	0.5
73.02930	0.5
79.05503	2.3
81.03413	3.0
81.07038	0.8
85.02903	3.0
91.05482	13.4
91.37756	0.4
93.03408	0.8
93.07043	8.5
95.04970	2.0
95.08601	1.2
97.02898	1.2
99.04436	0.6
103.05486	0.4
104.06281	0.4
105.03419	0.4
105.07035	1.1
107.04946	1.0
107.08578	0.7
109.02885	0.8
109.06525	0.4
109.10191	0.4
111.04416	0.5
115.05477	0.6
117.07027	3.1
119.08582	19.3
121.06528	0.6
121.10146	1.3
123.04412	0.5
123.08051	0.6
127.03938	1.2
128.06227	0.4
129.06990	1.5
129.76662	0.3
132.04440	6.4
132.05435	0.6
137.09612	1.4
141.23407	0.3
147.04395	0.8
147.06924	0.7
147.08047	9.0
165.09102	4.2
167.06990	0.4
173.09547	0.3
173.14317	0.3
175.14807	0.4
177.05473	0.9
178.04996	55.8
179.05138	0.4
181.99744	0.3
206.04486	100.0
207.04747	0.5
207.13715	0.5
225.07784	0.4
225.10204	0.7
226.10582	0.6
231.33249	0.3
242.10207	0.5
257.12744	0.4
258.13062	0.8
268.11670	0.5
291.12430	0.7
297.12073	0.4
298.12723	0.3
303.04797	0.4
309.13406	0.5
313.11694	1.0
314.12097	1.1
315.12943	0.6
343.12277	0.9
490.15048	1.5
518.14722	2.5
532.18170	4.1
550.17499	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
61.02917	0.4
64.53702	0.3
65.03926	1.4
67.05486	0.6
69.03434	0.5
69.07027	0.4
70.06597	0.8
70.70172	0.9
70.70575	0.7
71.04985	0.5
72.08157	0.6
73.02899	0.4
77.03895	0.4
79.05475	0.8
81.03423	1.5
81.07037	0.7
82.69286	0.4
84.08143	1.0
85.02898	1.2
86.09701	0.7
87.00801	0.4
89.03896	0.6
91.05484	18.7
93.07024	1.3
95.04961	0.9
95.08620	0.7
96.94737	0.5
97.02882	0.9
107.08611	0.6
109.02864	0.7
109.06512	0.5
110.07141	0.4
113.40384	0.4
117.07081	0.4
118.04220	0.4
119.04942	27.4
119.08630	0.7
121.10168	0.5
123.04426	0.5
127.03841	0.6
131.04889	0.6
132.02063	1.2
133.02834	0.4
135.04474	0.5
136.06169	1.0
137.05986	1.8
138.06311	0.6
145.02831	0.8
147.04414	26.5
149.02327	1.0
152.05635	0.5
157.03972	2.0
163.03905	0.9
164.04680	0.9
167.03345	1.1
167.07047	1.2
175.03911	42.9
179.07050	2.5
184.07364	0.8
192.04129	0.6
207.06531	100.0
208.06836	0.9
240.03943	0.4
244.29404	0.5
303.05130	1.0
303.08685	1.6
351.10748	0.8
369.11838	1.1
371.07596	0.7
418.11954	0.6
449.48511	0.4
518.19257	0.6
550.21594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02988	1.6
53.03936	3.6
55.01860	3.7
55.34002	1.5
57.03431	11.3
59.18620	1.4
61.02917	14.6
65.03925	2.2
67.05501	4.6
69.03078	2.4
69.03426	31.1
69.07059	2.6
70.01354	8.7
70.06583	12.0
71.04985	3.6
72.08126	2.8
73.02901	5.7
78.59865	1.4
79.05459	4.0
81.03429	14.4
81.07063	8.8
83.04980	3.8
84.04486	2.8
84.08121	3.5
85.02901	90.9
85.06541	9.5
86.09687	7.2
87.04450	6.8
90.03579	1.6
91.03943	6.5
91.05486	8.7
93.07044	8.3
95.04975	5.0
95.08598	5.8
97.02290	2.7
97.02887	34.8
97.06559	2.1
98.06061	1.8
99.04451	6.2
105.07014	11.8
107.04929	2.9
107.08578	7.9
109.02891	7.5
109.06522	8.9
110.07166	3.1
111.04433	1.9
112.64856	1.5
117.07050	3.4
119.08585	11.6
120.08105	1.5
121.02815	1.8
121.06488	9.4
121.10168	7.7
122.03623	6.6
123.08070	20.9
125.05991	2.1
127.03905	23.8
129.10231	3.1
131.08522	5.7
133.06471	5.6
133.10132	7.7
135.08049	4.5
135.11682	2.4
137.05972	80.6
137.09543	1.5
138.06317	2.3
143.08508	2.3
145.04965	29.5
145.06259	2.6
145.06474	2.4
145.10098	8.9
147.04411	3.5
147.07990	4.6
147.11690	6.0
148.96667	1.7
149.09601	3.5
151.07532	47.8
156.09314	3.1
159.08044	3.7
161.13268	2.6
162.02101	2.3
163.06058	2.7
163.11168	43.1
167.07080	11.0
167.34065	1.8
171.11662	4.6
173.05991	3.1
174.10355	4.9
175.07431	2.2
177.09148	2.0
181.04916	15.7
181.12212	31.3
189.12735	100.0
191.14326	14.9
207.13782	27.3
223.13289	2.4
225.10193	2.8
225.14830	3.2
235.09723	2.1
241.09756	1.9
257.12787	3.3
258.05246	1.9
286.04691	11.4
301.07043	29.2
307.15317	3.5
313.11758	3.6
314.12579	2.3
325.16245	3.7
342.12241	2.5
357.13260	12.2
369.19067	36.8
373.14078	3.1
387.14236	6.7
440.96854	1.6
485.75516	1.6
489.14719	6.5
517.14459	4.5
549.18823	30.0
549.25580	6.1
550.70563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54126	0.9
58.99572	0.9
61.73671	1.0
69.03432	1.2
70.06592	5.1
70.25404	0.9
71.56671	1.7
71.57012	0.9
72.08157	2.3
79.05488	1.2
81.07058	1.3
84.04488	1.3
84.08132	2.8
85.02892	3.1
86.61230	0.9
91.05480	1.3
93.07022	1.1
102.05529	1.0
108.09998	1.1
111.63726	0.9
112.20667	0.9
119.01888	2.7
147.04391	3.6
161.02966	1.4
161.23607	0.9
171.04988	1.5
173.02991	1.1
177.05478	1.2
193.12010	3.6
195.13545	2.8
201.03714	5.3
203.05260	17.2
207.13759	1.4
211.57643	0.9
229.12810	1.1
253.12811	4.6
271.13956	2.8
278.64822	1.1
319.05167	1.0
369.13785	1.0
373.18307	100.0
374.18597	4.1
377.06882	3.2
379.08636	2.4
453.09589	1.3
498.13239	1.1
549.21429	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	549.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01868	1.5
55.05515	1.0
67.05492	2.1
68.37800	0.6
68.99787	1.0
69.03419	0.9
69.07067	1.0
70.06580	1.4
70.90000	2.1
72.08145	1.1
77.03890	0.6
78.31670	0.6
78.69791	0.6
79.05495	2.1
81.03413	2.8
81.07066	5.1
84.08154	0.9
85.02892	1.4
91.05460	4.1
93.07047	1.7
95.04972	2.4
95.08607	2.6
98.10913	0.7
103.05469	3.3
105.03410	1.0
105.07021	2.3
107.04937	1.5
107.08604	1.1
109.02875	2.6
109.10173	2.1
111.04448	1.0
116.01657	0.6
117.06974	1.3
119.04937	7.8
119.08548	1.0
121.06484	1.8
121.10132	1.4
122.03655	1.1
123.04427	34.0
123.08060	2.1
125.02356	1.1
127.03900	2.4
129.07043	0.9
131.04895	4.1
131.08594	1.4
133.06522	0.8
133.10120	0.7
135.04401	2.8
135.08078	1.3
137.05984	12.4
139.03896	2.3
143.04936	0.7
143.08571	0.8
145.02863	0.8
145.06493	1.3
145.10092	1.1
147.04410	26.6
149.05972	3.4
149.09592	1.5
151.03900	89.6
153.05455	1.3
159.04413	0.9
161.05986	3.7
163.03908	3.5
165.05473	15.4
167.07011	3.0
173.06007	1.1
175.03882	1.4
175.07610	0.8
175.98848	0.7
177.05486	9.0
177.09120	2.1
178.05908	0.8
179.07124	1.0
181.05069	3.6
189.05429	1.2
189.09140	0.8
191.07027	3.0
201.05437	0.8
201.09113	1.8
205.08591	0.8
207.06503	2.8
207.10170	1.3
211.07494	0.7
217.08481	0.8
219.10162	100.0
249.11198	1.4
287.05469	1.6
303.08505	3.3
351.92139	0.7
353.13834	2.0
371.14871	56.7
399.10980	0.8
517.18628	9.7
549.20349	3.5
569.00006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09204	0.6
53.03955	1.1
55.01862	2.2
55.05516	1.6
57.03427	0.9
65.03937	1.3
67.05489	2.5
68.99801	1.3
69.03420	1.6
70.06583	3.3
71.04994	0.9
71.58444	1.2
79.05492	2.4
81.03411	2.6
81.07049	4.7
84.08145	3.6
85.02897	2.7
91.05482	4.7
91.45606	0.8
93.07049	2.8
95.04949	3.3
95.08602	2.8
97.02897	1.2
103.05444	2.3
105.03375	1.1
105.07030	1.4
107.04936	1.0
109.02866	1.6
109.06545	1.0
109.10137	2.6
111.04449	1.1
115.05471	1.2
119.04938	8.7
119.08533	1.2
121.06493	1.1
121.10126	1.2
122.03631	1.2
123.04428	34.2
123.08050	2.0
127.03895	2.8
130.08682	1.8
131.04948	2.3
133.06490	0.9
133.10143	0.9
135.04434	2.9
136.07643	0.8
137.05975	19.0
139.03896	2.7
143.04939	0.9
144.05685	0.9
145.02820	1.4
145.06465	1.0
147.04411	26.1
149.05977	2.8
149.09602	1.2
151.03903	87.3
159.08064	0.9
161.06035	4.3
163.03883	4.8
163.07457	1.4
165.05479	16.0
167.07057	4.1
175.03899	1.6
175.07573	1.4
176.04799	0.7
177.05492	11.8
177.09062	1.5
178.05824	1.6
179.07037	1.3
181.04941	3.3
187.07481	1.5
189.05513	1.5
191.07063	2.6
194.07430	0.7
201.09137	2.3
207.06494	3.5
207.10101	1.2
219.10161	100.0
220.10674	0.9
231.10254	0.9
245.06233	0.8
249.11226	1.3
269.11572	0.8
274.97388	0.7
286.04660	2.1
301.07050	6.9
303.08685	2.8
351.12311	0.8
353.13898	1.4
357.13306	2.3
366.56772	0.8
371.14890	51.4
372.15228	1.0
387.13898	2.4
478.16306	1.3
517.18713	4.1
549.19574	5.9
558.02026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
57.03431	0.9
65.03921	0.9
67.05498	2.0
68.99780	1.3
69.03406	1.9
70.06577	2.7
72.08144	1.5
73.02896	0.6
76.02214	1.2
79.05485	2.4
81.03419	1.6
81.07060	3.7
82.31895	0.7
83.04961	0.8
84.04494	1.5
84.08135	1.6
85.02892	3.0
86.09698	2.0
87.67472	0.7
90.10632	0.7
91.05456	3.6
92.44187	0.7
93.07028	2.1
94.04159	0.9
95.03696	0.7
95.04951	2.2
95.08619	1.9
97.02866	1.2
98.20994	4.2
103.05445	0.9
105.03374	1.3
105.07024	1.7
105.20103	0.7
107.04951	3.2
107.08559	1.3
109.02900	2.0
109.06530	0.8
109.10149	2.0
115.05453	0.7
116.25919	0.8
117.03360	1.6
119.04932	8.0
119.08620	1.3
120.08103	1.9
121.06482	1.9
121.10120	1.6
122.03635	1.3
123.04430	29.8
123.08059	2.3
125.02303	0.9
127.03911	1.9
131.04922	1.4
131.08504	0.9
133.02881	0.7
133.06494	1.1
135.04408	1.9
135.08098	0.7
135.11743	0.8
136.06175	2.6
136.66586	0.6
137.05972	22.4
139.03889	2.4
143.04967	1.3
145.02844	3.9
146.03165	1.4
147.04405	27.1
149.05977	3.9
149.09595	1.3
151.03900	86.3
152.04207	1.3
153.05559	1.1
161.05972	3.7
161.09607	0.9
163.03917	3.5
163.07492	1.1
165.05478	12.5
165.09201	0.9
167.07022	7.2
173.05952	0.8
175.07558	0.7
177.05481	15.5
177.06903	1.4
177.09094	1.4
178.05803	4.1
179.07054	1.5
181.04938	3.8
187.07599	1.3
191.06998	1.9
201.09125	1.7
205.08835	1.0
207.06551	2.8
207.10217	1.2
211.07527	0.7
217.08673	0.9
219.10161	100.0
220.10457	1.6
238.10710	1.9
239.08830	0.8
239.11143	1.8
249.11162	1.1
259.07642	0.8
262.69763	0.7
287.05463	2.0
303.05106	1.0
303.08664	2.5
303.53476	0.7
321.11148	1.0
327.12363	1.1
353.13803	1.5
355.08105	1.6
357.13309	3.1
371.14902	41.3
387.14087	1.5
517.18262	1.0
549.19385	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	549.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05498	1.4
57.03438	1.5
61.10820	1.4
69.03419	5.8
70.06573	5.5
71.04997	1.7
71.57475	3.2
71.57847	1.6
72.08150	2.3
79.05515	2.4
81.03416	4.4
81.07041	3.2
84.04514	1.9
84.08168	2.9
85.02908	16.4
86.09687	2.4
91.05463	3.1
93.07021	5.3
94.06641	1.7
95.01343	1.6
95.04967	3.9
97.02879	5.7
105.07003	4.5
107.04939	1.9
107.08575	1.9
109.02885	2.0
117.03357	1.7
117.92471	1.6
119.04903	2.2
119.08562	3.2
120.08065	1.6
121.02917	1.8
121.06509	2.2
121.10101	2.7
123.08028	2.3
127.03878	2.2
137.05984	6.5
145.04930	2.2
145.10100	1.8
146.05998	1.7
147.04366	3.1
148.07529	2.0
149.05954	1.6
149.09622	2.1
151.07523	5.4
161.05928	1.6
163.11182	6.3
165.12819	1.7
167.07005	1.9
177.05473	4.7
178.04988	2.8
181.04955	2.8
181.12271	3.1
183.09254	1.9
189.12730	5.3
191.14317	2.1
197.10716	4.6
198.06192	1.5
198.07869	1.8
198.11476	2.8
199.08606	14.5
201.10281	1.6
204.06590	1.5
206.04456	2.8
207.04788	1.7
207.06580	2.5
207.13817	11.9
211.08684	13.5
211.12320	2.1
212.07556	1.7
212.09435	6.2
213.10208	18.5
214.07436	1.8
214.10941	4.6
220.79970	1.8
221.10822	1.8
224.09290	1.8
224.54204	1.6
225.10194	30.4
225.14865	2.1
226.07343	10.5
226.10945	11.8
227.08128	17.4
227.11691	11.3
237.10426	1.7
239.08206	4.3
239.09531	1.8
239.11742	16.6
240.08939	3.2
240.12524	10.1
241.09737	22.7
241.13370	4.4
242.10468	19.1
250.08652	3.1
251.11818	3.8
252.08766	2.5
253.09700	19.2
254.10454	4.8
255.06554	2.6
255.11305	18.0
257.12836	53.3
258.12949	1.6
265.09854	2.2
267.11267	23.3
268.08688	3.6
268.12045	20.3
269.09250	2.6
269.12814	5.2
270.13751	1.9
271.10806	2.4
280.12173	3.2
281.09134	3.4
283.10953	2.5
284.11536	3.1
285.12296	10.4
286.13174	4.3
295.10751	21.0
296.11539	18.8
297.12396	7.9
299.10300	3.4
299.13660	1.7
313.11804	81.7
314.12546	34.2
315.12967	2.9
341.11133	7.6
342.12088	53.7
343.12592	2.5
355.12781	2.8
356.13776	1.8
363.10016	1.5
369.19028	5.5
373.13974	19.2
373.18329	2.8
374.14282	12.8
383.12399	2.8
401.09399	2.2
401.13983	2.8
411.11780	2.9
417.12524	2.3
429.13226	3.4
433.16248	4.0
443.14709	8.9
457.12659	4.6
461.15839	1.9
471.14078	10.2
473.15549	6.2
489.15018	72.3
499.13480	3.3
517.14508	96.1
518.14667	2.9
522.56427	1.6
531.15118	2.2
549.17096	100.0
549.24261	3.5
550.17444	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	549.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20891	0.9
55.01875	0.9
67.05494	0.9
67.27609	0.8
69.03442	1.1
69.26717	3.4
69.27139	6.0
70.06574	3.4
70.06924	0.8
72.08150	1.4
84.08118	1.4
85.02896	2.2
86.09692	2.0
90.17382	0.8
97.02918	0.9
105.06992	0.7
108.75510	0.8
108.87247	0.7
120.08097	0.8
136.06332	0.8
137.05998	3.9
140.44342	0.8
146.05975	0.8
148.07536	1.2
151.07451	0.9
155.26428	0.8
161.06020	1.0
166.05055	1.0
167.07027	2.5
197.10699	2.1
198.07877	2.7
198.11513	2.1
199.08667	12.0
201.10155	1.1
207.13789	1.6
211.08667	12.4
211.12259	1.8
212.09418	4.7
213.06783	1.5
213.10226	13.6
214.07442	2.7
214.10919	4.2
222.09235	1.2
225.10196	17.8
226.07349	15.0
226.10893	6.1
227.08167	18.7
227.11653	7.7
229.09731	0.9
237.10355	0.8
239.08067	1.4
239.11847	6.8
240.08960	4.3
240.12593	6.2
241.09708	18.3
241.12369	0.9
241.13380	1.9
242.10495	15.7
243.11079	1.3
251.08186	1.6
251.11847	1.3
252.09039	1.0
253.09718	10.1
254.10532	2.6
255.11278	12.9
257.12857	18.6
257.89035	0.9
258.10306	1.2
267.08218	1.2
267.11264	10.7
268.08859	1.9
268.12045	14.3
269.09262	2.5
269.12872	3.1
271.10825	2.0
280.08548	0.7
280.12177	1.5
281.09244	2.4
283.10730	1.2
284.11530	2.4
285.12347	5.1
286.09598	1.8
286.13104	2.7
295.10736	7.4
296.11575	14.0
297.12256	3.6
299.09988	1.4
313.11823	31.6
314.12573	15.8
323.10065	1.3
341.11282	3.6
342.12106	56.8
343.12354	1.7
345.14203	1.6
355.12845	1.2
369.13571	1.5
373.14008	8.5
374.14584	6.4
383.12631	1.3
401.09824	3.5
417.12625	1.4
429.12961	2.6
433.16293	2.0
443.14642	3.9
457.12436	3.4
461.15747	1.0
471.14017	4.9
473.15515	4.4
475.13538	1.0
489.15042	31.5
499.13531	2.2
517.14539	100.0
518.14856	2.5
531.16193	1.9
549.17139	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86761	8.5
55.05493	38.3
56.95149	7.3
57.03424	30.2
58.30965	7.4
59.76715	7.8
66.29022	8.2
67.05499	91.1
69.07051	35.8
69.36661	89.6
78.38252	8.5
79.05484	72.7
81.03436	11.3
81.07062	97.7
83.08620	17.2
85.02883	15.0
86.09716	20.5
91.05482	64.7
93.07030	100.0
95.04984	10.3
95.08620	68.5
97.02827	12.0
97.06509	12.5
97.10180	10.4
105.07014	66.2
106.69177	7.9
107.08599	50.8
109.10147	41.9
112.83691	8.0
117.06979	27.0
119.08591	65.1
121.10133	50.6
123.11726	10.1
125.00037	12.3
127.03921	13.2
129.65942	9.8
131.08545	34.3
131.53505	9.9
133.10155	40.4
135.11685	39.8
143.08635	12.8
145.10101	19.5
147.11670	37.4
149.13263	23.2
159.11688	35.6
161.13257	33.1
163.11081	11.6
163.14790	10.2
173.13173	16.7
175.14859	9.7
184.07291	43.6
185.13219	12.9
187.14813	22.5
205.15930	9.5
229.14351	19.1
241.19389	17.0
259.20544	52.3
269.17529	11.0
277.21631	60.2
278.53094	11.1
351.25308	76.0
356.14426	9.2
394.81207	8.9
419.08334	9.1
429.28162	8.7
432.42078	8.5
481.66913	10.0
548.35864	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	548.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	33.2
57.03426	25.8
57.07065	5.8
67.05503	64.8
69.07066	20.7
69.94530	35.3
75.04514	6.5
79.05493	66.1
81.03429	16.2
81.07063	81.1
83.04988	10.1
83.08612	16.1
85.02927	8.7
91.05488	57.9
93.07038	78.3
95.04958	13.3
95.08595	56.5
96.04449	6.4
97.02913	10.0
97.06527	7.8
97.10176	9.3
98.21425	9.3
100.19549	7.7
105.07026	59.4
107.08572	49.5
109.10138	19.5
110.10394	6.2
117.07024	24.0
119.08549	38.7
121.09364	9.0
121.10125	41.6
129.06984	8.5
131.08545	35.2
133.10081	35.3
135.11679	34.7
145.10132	22.5
147.11699	27.3
149.13246	11.7
157.10172	7.5
157.62451	6.0
159.11693	19.0
161.13239	13.1
171.11635	8.3
173.13251	15.4
175.14824	8.0
176.10349	6.4
184.07379	8.0
187.14790	18.3
201.16393	8.2
241.19499	12.7
259.20560	39.3
269.17435	9.7
277.21652	27.7
293.36288	8.9
295.47015	6.1
333.24243	8.1
351.25272	100.0
351.29156	12.3
452.78430	7.1
549.39673	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	548.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01869	2.4
55.05503	9.9
57.03436	4.9
61.02940	8.5
61.03183	1.8
65.03542	1.6
67.05494	11.1
69.03427	18.2
69.07063	22.4
70.06594	3.8
71.04988	2.6
71.58347	1.8
71.58787	2.5
73.02900	2.2
79.05479	6.1
81.03410	3.7
81.07071	12.2
83.01303	2.4
83.04974	17.5
83.08615	2.8
84.04487	1.9
85.02907	26.5
86.09696	2.3
91.03938	4.4
91.05469	8.8
93.07030	11.2
95.01334	5.3
95.04967	7.9
95.08605	32.7
97.02905	10.3
97.06530	5.4
97.10163	8.9
99.04430	2.6
105.07029	22.5
107.04916	2.3
107.08597	13.8
109.02850	4.0
109.06504	4.8
109.10163	16.9
111.04448	3.3
111.08051	2.7
113.02337	2.4
113.05994	2.8
117.07021	2.3
119.08578	53.9
120.09383	3.0
121.06497	3.7
121.10136	26.7
123.04468	3.1
123.08081	7.1
123.11719	8.5
125.06015	3.0
125.09611	3.9
127.03905	7.3
131.08574	4.3
133.06509	3.9
133.10127	85.3
135.08026	8.8
135.11652	3.4
137.05959	5.4
139.03882	7.1
141.01820	2.9
142.38422	1.6
143.03404	5.7
143.08597	2.4
145.04930	2.8
145.10115	5.1
147.08047	5.1
147.11676	29.5
149.09692	2.0
149.13286	3.0
151.07549	3.4
153.05469	5.3
153.09064	3.9
157.04955	7.2
159.11650	2.5
161.05966	4.3
161.13200	8.7
163.07581	2.5
165.09145	2.3
167.07072	7.4
169.04913	3.4
173.09589	2.8
173.13338	2.9
175.07516	2.0
175.14818	100.0
176.15613	9.2
177.03915	6.1
177.05461	3.1
179.07076	5.4
180.08768	2.5
181.05003	2.1
183.06537	8.1
185.04523	2.6
185.08110	7.4
185.13254	2.1
187.14857	3.4
189.09099	2.9
193.08618	3.6
193.15936	8.7
193.17439	1.9
199.14731	1.9
203.05490	8.9
203.14314	3.4
207.10248	2.4
211.06012	10.0
213.07484	4.4
215.05489	20.0
215.14311	2.4
217.08511	2.4
225.11220	6.3
229.07072	33.7
243.08687	8.4
249.67911	1.6
251.96881	2.1
253.10606	4.9
257.10193	9.9
257.12665	2.4
267.11340	2.4
269.10104	1.9
271.11755	38.0
287.16446	2.0
295.11697	2.5
305.17438	7.4
313.11658	10.5
325.10654	2.0
333.17148	3.5
342.12323	2.8
351.18002	87.7
369.19427	3.2
373.13904	20.5
404.88770	1.9
489.14792	2.7
517.14453	3.3
532.18860	1.7
548.27185	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	547.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.05500	3.0
55.05733	0.7
57.03420	2.0
61.02936	1.0
61.71284	0.7
62.54888	0.9
67.05505	5.1
69.03419	3.0
69.07073	0.8
70.06577	1.7
71.03442	1.7
71.04987	0.9
72.08140	0.6
73.02925	0.8
73.40486	0.7
79.05494	5.8
81.03411	2.8
81.07063	5.4
83.08605	1.4
84.04495	1.1
84.08109	0.7
85.02911	4.8
86.09713	5.7
91.05479	16.4
93.07048	7.5
95.04950	2.2
95.08591	4.2
97.02903	1.6
97.06554	0.9
103.05475	1.0
105.01856	2.0
105.07032	10.7
107.03344	0.7
107.04932	1.4
107.08598	5.4
109.02880	1.7
109.06512	1.3
109.10155	4.2
115.05442	3.8
116.06250	1.1
117.07020	10.8
119.04933	2.1
119.08583	15.9
121.06502	0.7
121.10149	11.3
123.11727	0.9
125.00017	4.0
127.03915	2.3
128.06226	2.1
129.07025	4.8
129.40906	0.9
131.04935	1.2
131.08554	7.6
133.06477	1.2
133.10124	8.8
135.08018	1.1
136.06177	2.5
137.05980	1.0
139.03880	0.8
141.06950	1.8
141.90242	0.7
142.07776	1.3
143.08569	5.7
145.02872	1.2
145.06485	7.4
145.10126	6.7
147.04411	1.5
147.08046	10.0
147.11699	2.5
149.05934	1.1
149.09608	2.1
151.07610	0.7
155.08530	3.9
156.09343	1.0
157.10100	4.2
159.08052	10.2
159.11708	2.3
161.09644	7.7
163.03995	0.9
163.11186	1.1
167.07072	1.2
167.08537	1.5
168.09290	0.9
169.10127	6.9
171.08061	0.8
171.11638	4.4
173.09630	3.6
173.13255	1.0
175.03860	1.0
175.11203	1.1
177.05432	2.2
179.08533	1.3
181.10118	2.6
182.10751	0.9
183.11685	5.5
184.07333	13.0
184.08960	0.7
185.09612	2.6
185.13246	1.7
187.11171	2.3
191.07072	0.8
193.10118	2.9
195.11745	1.8
196.12578	0.9
197.09647	1.6
197.13249	3.0
199.11227	2.8
206.10899	0.9
207.06555	1.0
207.11658	1.6
208.12309	0.8
209.13332	1.5
210.23228	0.8
211.11230	2.9
211.14731	1.4
219.11807	0.8
221.13263	2.8
221.73926	0.7
223.14941	1.4
225.12772	1.3
225.16429	1.4
233.13254	1.8
235.14824	1.4
237.16493	2.0
239.14305	1.8
239.17964	7.4
248.15582	1.1
253.16061	1.0
253.19475	3.5
263.17975	8.9
266.16824	0.9
281.18997	100.0
282.19376	2.9
283.20575	1.5
299.05627	0.7
299.20032	1.8
301.14377	1.6
318.03876	1.3
328.32364	0.7
341.10318	0.8
385.12680	1.4
409.14038	0.9
415.10181	2.5
428.75943	0.7
547.25903	12.6
547.34448	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26724	1.4
53.03932	1.5
55.01865	3.1
55.05516	6.9
57.03442	7.1
57.07055	3.5
57.67958	1.2
62.06062	1.2
67.05229	1.2
67.05505	14.1
69.07063	12.6
71.05012	1.8
71.08624	4.8
73.78117	1.2
79.05486	9.2
81.03419	2.4
81.07056	22.4
83.04962	3.1
83.08605	4.3
85.02894	1.7
85.06537	2.2
91.05467	10.9
93.07038	13.5
95.04955	3.1
95.08599	15.2
97.06519	3.9
97.10173	2.0
98.06039	2.8
98.98460	3.6
99.08083	2.9
102.51585	1.2
102.77232	1.2
105.07012	12.2
107.08588	12.0
109.06515	9.6
109.10146	7.5
111.08051	2.1
117.07007	1.8
119.08574	14.8
121.10123	8.7
123.08057	17.4
123.11713	2.9
125.09626	1.8
131.08589	6.5
133.06477	1.3
133.10124	13.3
134.10374	1.3
135.08057	10.7
135.11639	2.5
137.09602	1.8
143.08527	2.1
145.10115	4.9
147.11667	9.2
149.09607	3.9
149.13229	3.6
151.11203	1.8
157.10068	2.8
159.11664	3.6
161.09639	2.4
161.13203	2.1
163.11182	2.2
165.12686	2.1
167.14291	1.8
171.11742	1.7
173.13208	2.7
175.11182	1.6
175.14850	8.8
177.12807	3.2
179.14314	25.9
185.26886	1.3
193.15936	2.1
201.27745	1.4
205.15866	4.4
231.15915	1.2
248.96379	1.2
263.20041	2.6
267.15875	1.4
271.20493	1.4
275.20081	2.4
289.21640	7.6
293.21140	2.6
303.26871	1.4
319.22812	2.3
331.26291	13.6
337.23831	1.4
347.25861	1.8
349.27411	7.5
356.29477	1.3
357.27905	1.9
369.27808	1.3
374.30524	26.2
375.28900	3.0
387.28943	8.3
405.29984	100.0
406.30292	3.3
468.01364	1.3
485.26416	2.5
503.27618	7.0
528.37848	1.7
546.38550	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17541	1.5
53.03933	1.7
55.01883	1.6
55.05511	7.9
56.71861	1.3
57.03432	5.4
57.07083	1.7
62.36676	1.2
66.22372	1.2
67.05500	17.3
69.07076	12.3
70.91732	2.3
71.04984	2.1
71.08637	6.6
72.25285	1.4
79.05477	11.2
79.05866	1.4
81.03419	3.0
81.07055	21.1
83.04971	2.1
83.08622	5.5
85.06530	2.8
91.05493	10.6
93.07042	12.4
94.07339	1.7
95.04959	2.8
95.08602	15.8
97.06522	3.1
97.10186	2.9
98.98478	5.1
99.08115	2.3
105.07016	14.1
106.07339	1.6
107.08601	15.0
109.06527	8.0
109.10147	7.7
111.08106	1.4
117.07008	2.5
119.08594	14.3
120.08905	1.5
121.10133	9.0
123.08058	19.2
123.11745	2.7
125.09674	1.5
131.08574	5.1
133.10127	10.9
135.08040	10.0
135.11682	3.3
135.85132	1.3
137.09583	1.8
143.08592	1.3
145.10127	4.6
147.11674	6.2
149.09663	3.6
149.13272	4.2
157.10106	2.0
159.11696	3.7
161.09636	1.9
161.13242	3.7
163.11205	1.3
165.12805	1.6
173.13338	1.6
175.11165	1.7
175.14845	6.8
177.12756	3.7
179.14301	24.1
193.15874	2.3
205.15909	4.3
210.08922	1.4
261.22214	1.9
263.20047	2.3
277.21552	1.6
289.21613	6.5
293.21130	2.1
303.26959	2.9
331.26248	15.3
349.27542	9.0
366.92889	1.7
374.30685	9.6
375.28720	1.4
387.28925	5.3
405.29990	100.0
406.30444	1.5
417.21085	1.7
433.24008	1.6
454.33783	2.2
461.23331	1.6
503.27499	5.4
528.37500	4.2
546.25494	2.8
546.38745	8.1
547.27081	10.4
574.80188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01884	2.2
55.05518	6.6
55.13274	1.0
57.03432	5.6
57.07074	2.6
62.06071	1.7
67.05507	16.9
69.03420	1.2
69.07070	9.0
70.33546	4.2
71.05003	2.3
71.08618	5.1
79.05492	8.5
81.03422	3.0
81.07055	18.8
83.04966	2.6
83.08641	5.0
84.03065	1.0
85.02895	1.7
85.06553	1.4
91.05471	10.5
93.07040	10.0
94.07407	0.9
95.04974	4.1
95.08614	12.5
97.06522	3.9
97.10146	2.1
98.06071	1.3
98.98462	3.6
99.08094	3.4
104.74510	1.0
105.07032	11.7
107.08588	11.8
109.06513	9.1
109.10152	6.1
111.08092	1.8
117.07069	1.6
119.08578	12.2
121.10131	6.9
123.08059	18.1
123.11665	2.7
125.09630	2.0
131.08620	5.7
133.10150	9.5
135.08055	8.7
135.11696	3.4
136.93336	1.0
137.09564	2.2
143.08527	1.3
145.10106	5.1
147.08003	1.4
147.11726	7.7
149.09605	3.1
149.13243	3.2
149.22633	1.0
157.10141	2.7
159.11705	4.2
161.09627	2.0
161.13274	1.7
163.11154	1.8
163.14819	1.1
165.12717	2.1
167.14302	2.1
171.11678	1.5
173.13240	2.3
175.11209	1.4
175.14825	8.0
177.12814	4.7
179.14313	27.3
179.15845	1.9
181.58173	0.9
187.14752	1.0
193.12190	2.1
193.15875	1.6
203.14346	0.9
203.38185	0.9
205.15862	3.4
216.06335	1.6
259.20264	1.1
263.20050	1.7
267.15973	1.7
272.20889	1.0
275.19998	2.2
276.20499	1.4
289.21780	8.8
293.21185	2.2
303.26859	1.7
312.88803	1.0
331.26398	12.9
349.23770	1.2
349.27405	7.7
369.27933	1.6
374.30493	11.1
375.29279	2.1
387.28940	7.8
405.30008	100.0
405.89087	1.0
406.30121	2.0
503.28104	4.9
546.38147	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	546.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.01872	2.7
55.05515	7.6
57.03442	4.9
57.07071	2.2
63.06862	1.1
67.05502	8.5
69.07069	8.5
69.55309	8.4
71.04994	1.3
71.08630	4.4
79.05501	8.5
81.03397	1.9
81.07056	14.1
82.40265	1.0
83.04967	2.3
83.08614	5.8
85.02912	1.1
85.06521	2.5
91.05482	7.9
93.07034	9.8
93.15412	0.9
95.04966	2.9
95.08602	13.0
97.06544	3.3
97.10133	1.6
98.06061	1.0
98.20807	1.9
98.97870	1.0
98.98464	4.0
99.08080	2.3
105.07028	10.1
107.08584	9.6
109.06512	8.2
109.10146	4.8
111.08104	1.4
117.07005	1.2
119.08585	9.6
119.63680	0.9
121.06505	1.2
121.10146	6.6
123.08070	17.8
123.11716	2.2
125.09609	2.4
131.08571	3.6
133.10135	11.3
134.40378	0.9
135.08069	9.3
135.11688	2.6
137.09619	1.6
143.08554	1.0
145.10129	4.2
147.11682	7.6
149.09628	3.3
149.13280	3.3
157.10121	2.5
159.11649	2.7
161.09555	2.2
161.13214	1.7
163.11160	1.4
165.12729	1.1
167.14255	2.1
173.13298	2.5
175.11028	1.4
175.14821	9.5
177.12808	3.5
177.16318	1.6
179.14314	25.5
185.13271	1.1
191.14359	1.9
193.12170	1.7
193.15942	2.6
198.05363	1.5
205.15952	4.0
211.11366	1.2
245.58134	1.2
247.20656	1.5
263.20169	1.5
267.15933	1.6
271.20517	1.5
275.19983	1.2
283.15390	1.1
289.21707	7.3
291.19516	1.4
293.21274	1.6
293.81540	1.1
301.16626	1.1
303.27008	1.9
319.22552	1.9
331.26199	14.1
347.25961	1.2
349.27405	8.9
369.27673	1.3
374.30676	6.7
375.28925	2.8
387.29019	6.8
405.29996	100.0
406.30240	4.6
503.27756	4.7
546.31494	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
55.01867	7.2
55.05506	15.3
57.03434	9.8
61.02926	13.6
62.20777	2.9
67.05502	13.5
69.03438	30.7
69.07066	9.0
70.06588	9.7
71.01344	6.4
71.04990	7.4
71.67169	3.1
72.08138	4.8
73.02918	10.4
76.02238	8.3
79.05487	20.4
81.03426	11.4
81.07060	26.9
81.65433	3.2
83.04977	25.0
83.08619	5.9
84.04503	6.5
84.08122	5.2
85.02913	48.9
86.09706	4.6
87.04468	4.1
91.03965	4.9
91.05482	55.2
91.06017	5.1
93.07047	54.9
95.04977	13.8
95.08627	15.4
97.02893	13.5
97.06546	4.8
97.10180	6.8
99.04465	4.3
105.07021	17.9
107.04955	7.1
107.08618	11.2
109.06543	7.7
109.10144	5.0
111.04478	17.0
117.03397	4.6
117.07049	21.0
119.08582	100.0
121.06517	11.2
121.10154	8.3
123.08111	8.6
125.09605	7.1
127.03909	5.9
129.05493	17.8
129.07030	9.2
131.08583	8.6
133.10110	3.3
135.08067	11.4
136.06201	10.3
137.05952	6.7
137.09641	10.3
145.02867	13.1
145.10115	4.1
146.03169	6.0
147.08038	45.9
147.11725	6.4
149.09596	3.2
155.07060	7.2
159.11682	4.0
161.09569	3.9
161.13293	4.7
162.02206	6.1
163.07491	4.9
163.11176	5.3
165.09111	39.6
175.11217	3.8
177.05458	23.7
178.05872	8.4
179.04877	8.2
183.10239	25.0
184.07433	5.1
189.12740	4.2
274.18997	5.0
275.12711	4.0
281.13834	5.1
287.05450	5.6
292.19824	5.8
293.13821	27.2
301.22775	3.7
311.14911	89.3
368.25815	5.9
384.24384	5.7
386.26761	7.7
460.31015	5.4
546.16595	16.8
546.33832	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01867	7.2
55.05264	3.2
55.05508	42.3
57.03431	8.2
57.07079	4.1
58.80087	1.9
62.18699	1.9
65.03932	4.0
67.05502	82.5
68.03864	1.7
69.03426	3.9
69.07064	22.6
69.31940	4.3
69.32334	20.4
70.80040	2.1
71.04995	5.5
79.05489	57.5
81.03413	28.0
81.07055	78.1
83.04985	7.6
83.08622	23.6
85.02907	7.5
85.06533	6.0
91.05484	45.1
93.07037	55.3
95.04964	24.0
95.08606	46.2
95.09153	1.9
97.06531	6.9
97.10149	17.5
98.21490	4.5
105.07028	36.9
107.04955	7.4
107.08601	35.8
109.06532	8.1
109.10159	30.8
111.08091	6.5
117.07011	18.0
119.08575	34.5
119.09367	3.7
121.06518	6.5
121.10134	26.6
123.08069	5.8
123.11744	9.2
125.09612	14.9
128.06299	2.7
129.07004	10.8
131.08559	30.7
131.09398	2.9
133.06516	5.8
133.10129	18.6
135.08064	6.8
135.11681	12.2
137.09653	3.9
142.07866	2.5
143.08607	9.7
145.10109	24.1
147.08046	4.9
147.11685	21.9
149.09628	6.2
149.13316	8.0
151.11212	2.7
153.09071	2.4
155.08582	4.4
157.10143	12.9
159.08026	2.8
159.11685	15.4
161.13258	8.9
163.11197	3.5
163.14845	3.8
169.10159	6.5
171.11676	8.2
173.09724	2.4
173.11993	2.2
173.13252	13.2
175.11241	8.5
175.14873	4.3
177.12851	2.4
181.10083	4.0
182.85370	2.1
183.11745	5.2
185.13306	5.2
187.11172	2.3
187.13341	3.1
187.14809	4.7
189.11234	11.2
193.12224	16.4
197.13289	4.3
199.14856	2.7
201.14752	3.2
205.12303	2.0
206.16568	2.5
211.13307	12.6
211.14531	2.5
211.15039	4.4
227.12805	15.9
233.15369	2.7
261.22150	13.3
267.15884	17.7
273.18576	3.4
283.24213	2.4
285.22192	6.0
287.19922	2.8
301.25214	15.4
303.23285	2.8
329.21115	3.7
335.25748	15.0
359.25980	2.4
417.31531	3.9
421.25699	3.3
435.32553	9.6
453.33664	16.2
471.34720	12.8
509.35822	3.3
527.37396	55.2
537.24115	1.9
545.38385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01868	8.2
55.05511	48.9
57.03442	12.2
57.07071	5.8
58.07375	2.3
59.62747	2.6
62.84667	2.1
65.03934	5.9
67.05504	100.0
69.03429	4.3
69.07063	32.4
69.90611	7.9
69.91019	7.0
71.04984	7.4
79.05495	70.0
81.03411	20.4
81.07056	96.9
83.04969	7.9
83.08624	21.6
85.06522	4.9
91.05479	58.9
91.06020	4.5
93.07043	74.5
95.04977	27.8
95.08605	63.0
97.06528	14.8
97.10164	27.4
98.20806	3.4
99.08128	3.5
105.07033	53.5
107.04936	8.3
107.08589	48.4
108.08954	3.1
109.06516	8.2
109.10150	28.1
111.08101	10.0
113.92562	2.3
117.07009	27.1
119.08573	46.9
120.08891	2.7
121.06494	8.6
121.10130	29.2
123.08105	3.4
123.11704	10.9
125.09636	16.8
128.06223	3.7
129.07011	16.5
131.08566	49.2
133.06508	3.4
133.10123	27.9
135.08023	5.9
135.11694	17.5
137.09665	5.2
141.07048	5.4
143.08554	23.8
145.10130	42.6
147.08049	6.5
147.11716	20.7
149.09642	8.0
149.13237	15.2
155.08574	9.8
157.10149	26.1
159.08098	2.7
159.11687	30.1
161.09657	4.1
161.13298	14.3
163.11200	6.5
163.14960	3.4
167.08531	4.7
168.09373	3.1
169.10129	10.4
171.11713	15.7
173.13261	23.7
175.11183	3.9
175.14812	8.0
177.12756	3.2
181.10123	6.0
183.11661	13.3
185.13293	9.4
187.14824	10.6
189.11234	9.5
189.16458	2.3
191.14450	2.8
193.10378	3.0
193.12292	7.4
195.11676	5.0
195.13879	3.5
197.13254	8.8
199.14819	8.3
201.16425	4.4
205.58136	2.6
211.14905	4.5
213.16403	5.5
223.14920	2.9
227.12820	10.9
241.19557	7.8
241.74469	2.8
247.16914	4.1
249.18153	3.3
257.19159	3.2
259.20560	12.2
261.22241	11.1
267.15924	18.3
269.17456	8.9
279.23303	3.2
283.24100	3.5
285.22079	4.5
299.23611	5.1
301.21823	3.9
301.25107	21.3
309.22095	3.0
315.23453	3.2
333.24142	4.2
335.25818	12.3
353.24789	4.0
407.33023	3.0
417.31445	5.7
425.34476	5.3
435.27359	3.2
435.32721	19.9
453.33652	28.0
471.34915	16.3
509.36649	4.9
517.39087	10.8
527.37311	89.5
528.37933	3.0
545.38330	97.8
546.38837	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.8
54.66027	2.7
55.01852	7.7
55.05510	48.6
57.03425	8.0
57.07059	4.5
65.03914	6.6
65.51311	2.5
67.05502	85.6
69.03416	7.8
69.07063	30.7
69.16433	3.2
69.49859	22.5
71.04992	6.1
74.11355	2.9
79.05057	4.7
79.05485	57.6
81.03418	28.9
81.06581	5.3
81.07051	89.2
82.07389	3.3
83.04977	10.2
83.08618	22.6
85.06516	4.1
91.05479	50.5
93.07037	63.1
95.04965	20.8
95.08593	60.3
97.06536	5.7
97.10172	31.0
98.21513	2.9
99.08088	4.7
99.71583	2.7
105.04520	3.1
105.06390	4.0
105.07026	41.1
105.32645	2.9
107.04948	7.4
107.08591	46.0
109.06492	8.8
109.10159	33.9
109.38032	2.4
111.08081	7.8
117.07015	17.7
119.08554	37.7
121.06507	10.7
121.10149	20.4
123.08058	10.5
123.11699	13.7
125.09633	23.2
129.07010	12.1
131.08582	35.4
133.06483	3.4
133.10129	36.2
135.08022	8.0
135.11673	14.0
137.09563	3.9
137.13376	3.0
142.07759	3.6
143.08563	12.5
145.06557	3.8
145.10120	24.5
147.08046	5.7
147.11653	16.8
149.09604	4.2
149.13194	7.1
155.08562	4.1
157.10141	15.8
159.08080	6.3
159.11667	18.5
161.09634	5.0
161.13290	10.0
163.11145	3.2
163.14801	4.6
169.10178	4.7
171.11726	10.6
173.09566	5.1
173.11908	3.4
173.13229	14.5
175.11188	6.0
175.14807	6.0
183.11755	4.0
185.13216	9.5
187.11270	3.9
187.14803	7.4
189.11247	12.6
193.12251	11.8
197.13266	5.0
199.14793	5.2
201.16429	2.8
227.12682	14.0
247.17039	3.6
258.21594	2.9
261.22198	14.4
267.15961	24.9
273.18576	4.7
283.24426	2.7
285.22134	5.2
301.25217	23.6
306.11908	2.7
335.25751	14.9
354.03012	3.0
359.25598	4.7
377.16660	3.8
417.31531	3.7
421.25879	3.5
435.27280	3.3
435.32516	12.6
453.33612	21.8
471.34644	18.2
524.21082	3.1
527.37268	68.3
528.37708	3.3
545.38306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01868	7.1
55.05265	3.3
55.05515	47.7
57.03436	9.3
57.07082	5.6
59.04998	2.4
65.03921	3.9
67.05507	90.1
69.03444	5.4
69.07072	28.6
69.82229	6.4
69.82645	7.7
70.90567	2.1
71.04988	6.3
71.08626	2.1
74.28479	2.0
79.05497	62.2
80.05804	2.3
81.03421	22.0
81.07056	78.6
81.07526	4.5
83.04992	6.7
83.08618	23.6
83.70544	2.2
84.10269	2.2
85.02906	3.8
85.06564	3.4
86.09725	3.0
91.05482	47.4
93.07041	58.3
95.04977	25.1
95.08607	53.3
95.09161	3.8
97.06543	9.6
97.10164	28.0
105.07037	43.7
107.04986	10.2
107.08597	38.9
109.06545	8.4
109.10161	31.6
111.08108	8.6
117.07008	23.5
119.08591	37.6
121.06525	13.0
121.10147	25.1
123.08089	9.1
123.11701	14.9
125.09639	19.7
129.07016	12.7
131.08586	35.4
131.09511	3.0
133.06575	3.5
133.10132	27.7
135.08087	7.3
135.11705	19.8
137.09694	5.5
139.11305	2.0
141.06999	5.2
142.07790	3.2
143.08560	12.4
145.06497	3.7
145.10127	30.7
146.98216	6.4
147.08080	4.8
147.11676	16.8
149.09671	4.5
149.13297	7.1
151.11168	3.4
153.09171	2.6
155.08563	6.2
157.10117	12.6
159.11702	15.9
161.09592	3.7
161.13240	11.4
163.11249	3.3
163.14818	4.0
169.10153	5.3
171.10439	2.5
171.11661	10.6
173.13239	13.2
175.11234	6.4
175.14853	6.2
177.12769	3.4
181.10161	3.2
183.11769	6.9
185.13358	8.1
187.11224	2.5
187.13371	3.4
187.14897	9.4
189.11212	17.0
189.16502	2.4
193.12245	14.8
195.11766	3.3
197.13287	4.8
199.14825	3.9
209.13307	2.9
211.14894	3.3
213.16426	2.7
224.37613	2.3
225.16530	2.9
227.12775	14.8
233.15460	3.5
243.21213	4.8
246.65511	2.2
247.17043	4.9
255.15877	2.3
259.17084	2.6
261.22186	11.4
267.15897	24.1
273.18594	3.5
275.19855	2.5
277.21716	4.5
279.23474	2.3
281.21231	2.7
283.24304	4.4
285.22296	6.9
287.20581	4.4
299.23935	3.1
301.25238	22.4
303.23297	4.9
307.19238	3.1
317.24744	3.6
335.25845	17.9
341.24811	2.3
359.25925	4.2
403.24756	2.7
417.31427	3.2
421.26105	4.5
435.27563	2.9
435.32761	11.1
453.33655	21.3
463.30722	2.6
471.34354	11.3
486.26974	5.2
489.35733	3.2
509.36172	3.7
513.40607	2.5
527.37274	63.9
528.38110	2.9
545.38556	100.0
546.39172	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.3
55.01866	8.2
55.05511	44.8
57.03428	8.1
57.07052	4.7
65.03929	4.5
67.05505	85.2
69.03426	4.8
69.07063	20.9
70.11788	13.7
71.04985	3.4
79.05493	61.7
81.03422	26.5
81.07055	74.2
83.04982	9.1
83.08621	28.4
85.06540	4.6
91.05482	44.2
93.07040	53.4
95.04964	27.6
95.08609	51.3
97.06534	8.8
97.10170	28.3
98.21403	5.0
99.08123	2.9
105.07032	49.1
107.04968	7.4
107.08603	37.4
109.06518	7.3
109.10155	28.1
111.08076	10.3
115.05475	3.2
117.07030	25.8
119.08581	33.3
121.06520	10.1
121.10161	19.2
123.08097	6.6
123.10962	3.2
123.11662	15.7
125.09617	19.4
128.06200	3.9
129.06953	12.7
131.08539	29.3
133.06543	4.1
133.10136	25.7
135.08092	8.1
135.11723	17.0
135.32549	2.9
137.09625	3.2
137.13217	2.5
143.08583	10.9
144.61621	2.5
145.06534	4.2
145.10124	27.3
147.08035	4.7
147.11693	18.1
149.09679	5.2
149.13287	11.2
151.11171	2.9
155.08575	4.0
157.10153	12.1
159.11710	15.4
161.09715	3.6
161.13290	10.9
163.11241	6.7
163.14824	3.5
169.10146	6.2
171.11713	9.3
173.09779	3.3
173.13292	15.3
175.11246	7.1
175.14879	5.0
177.12831	3.8
183.11662	3.9
185.06798	2.6
185.13283	8.1
187.13391	3.5
187.14886	5.4
189.11255	15.1
189.16353	4.7
193.12283	10.5
195.11714	3.7
195.16905	2.9
197.13228	3.7
201.54671	2.6
202.58110	2.5
213.16389	3.2
215.17873	3.0
227.12659	16.3
247.17010	4.3
261.22171	13.8
267.15878	22.2
277.21368	3.9
283.24109	3.3
299.23685	3.5
301.25189	22.2
303.23151	3.4
335.25922	17.9
359.25751	3.8
421.26083	3.6
435.32761	10.7
453.33627	20.5
471.34717	17.9
489.35620	3.9
509.36777	4.0
527.37372	63.4
528.37567	4.6
545.38348	100.0
546.38501	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	545.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	17.0
57.03429	16.3
60.01879	7.2
65.03937	12.9
67.05507	41.5
69.03431	14.3
69.07076	15.9
71.04994	43.8
71.58092	9.4
72.08133	10.7
79.05478	22.6
81.03399	12.3
81.07035	32.7
83.04977	13.0
83.08619	8.0
85.02908	48.3
85.06512	12.6
91.05460	29.8
93.07042	34.4
95.04980	40.0
95.08609	21.9
97.02881	10.6
97.06497	14.5
105.07017	20.5
107.04930	8.3
107.08577	12.6
109.06495	22.2
109.10131	17.4
110.84202	8.1
111.56805	7.9
113.05975	32.6
115.69790	7.8
117.06956	12.6
121.06444	14.4
121.10138	16.3
131.08574	15.9
135.08011	25.0
139.60193	9.3
145.02792	10.6
175.03941	25.1
184.24973	8.0
189.17291	8.7
207.06470	18.6
217.85344	9.8
273.18430	15.9
278.03293	9.8
291.19479	31.1
313.03397	20.4
355.08127	13.1
365.23242	38.2
399.10739	100.0
440.73276	9.8
501.22968	18.8
545.25665	24.3
545.32648	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	5.0
55.05505	14.9
56.62348	5.3
57.03430	20.5
58.99600	5.7
61.02913	5.0
67.05507	31.7
69.03425	12.0
69.07059	9.8
69.47604	7.6
69.48004	45.9
71.04978	29.6
74.29326	4.7
79.05470	20.8
81.03405	11.9
81.07047	21.0
83.08591	9.8
85.02910	41.6
85.06563	8.8
86.09718	7.7
91.05475	25.6
93.07040	29.6
95.04955	25.9
95.08619	17.6
96.65324	5.3
97.02914	7.4
105.07010	13.4
107.04961	6.6
107.08602	11.1
108.03493	5.1
109.06526	13.6
109.10157	8.5
111.04449	7.1
113.05994	18.3
119.08575	14.9
121.10130	17.8
131.08603	10.6
133.10098	7.4
135.08060	15.2
143.08565	7.0
147.04420	9.1
147.11617	9.1
161.09695	6.9
175.03915	13.4
177.05478	8.4
207.06488	8.5
217.15715	6.3
245.04544	6.9
273.09412	8.5
273.18356	13.3
278.34641	5.4
291.19571	28.5
301.03159	10.1
313.03351	17.0
325.19714	7.6
355.08206	10.4
365.23273	36.9
375.17841	7.8
383.11096	10.3
399.10730	100.0
401.55655	6.5
501.23038	15.8
545.25226	25.2
545.32739	22.6
557.41626	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	545.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03433	1.4
61.02911	1.1
62.65562	0.8
69.03431	4.0
70.06602	1.3
71.04982	1.0
71.12925	1.5
71.13259	0.8
76.00172	0.7
77.03900	0.8
77.78120	0.8
78.33965	0.7
79.05502	2.6
81.03401	1.3
81.07050	2.7
84.08142	1.1
85.02902	9.0
91.05476	3.8
92.38377	0.7
93.07030	1.0
94.04188	3.9
95.03332	0.8
95.04990	0.9
97.02895	3.1
103.05479	3.4
105.07021	10.8
109.06513	2.7
115.05467	5.4
118.04147	0.9
119.08609	1.6
122.03654	7.8
123.04432	0.8
127.03889	1.9
128.06212	2.6
128.40620	0.7
129.07014	1.2
131.04893	3.0
133.06462	6.0
136.06197	1.8
137.05975	89.8
138.06357	1.1
140.95187	0.8
141.06964	2.2
146.03683	5.4
147.04401	2.4
149.06000	2.4
156.05644	1.8
157.06505	0.8
159.08070	1.0
161.05983	61.7
162.06625	1.1
168.05823	1.3
169.06422	0.8
171.08037	2.2
175.07574	1.5
177.05498	1.7
184.05199	3.9
187.07568	3.4
189.07019	0.9
191.08571	2.4
192.09326	1.7
199.07529	26.3
202.07776	11.1
203.08559	21.7
203.10431	1.7
204.09322	2.3
205.06468	2.1
215.08511	1.5
219.08084	9.3
219.10161	1.1
220.08824	8.2
230.07254	2.5
231.08052	32.4
232.08818	8.2
233.09518	1.0
235.11160	2.3
237.09099	1.2
243.08058	1.0
245.09505	1.0
247.07574	6.4
248.08322	18.5
249.08994	2.4
258.06747	1.5
259.07553	25.7
260.08295	13.2
261.09042	1.8
262.09888	1.5
263.10669	19.4
265.08533	1.6
273.09079	1.1
275.07050	4.6
275.10571	1.0
276.07806	14.3
277.08652	6.5
280.11172	0.8
291.10147	100.0
292.10825	9.9
293.08194	3.8
295.10089	1.0
295.13367	3.3
308.10437	3.5
311.69925	0.8
312.16013	0.8
323.12772	58.8
324.13232	1.3
355.08167	1.5
383.11270	1.7
545.32654	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	545.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42105	0.4
52.68768	0.4
55.05499	1.0
57.03445	1.9
60.39484	0.3
61.02915	1.0
66.94235	0.4
67.05497	1.9
69.03413	1.1
69.07069	0.9
70.06582	2.3
70.11189	1.9
71.04996	0.6
71.06950	0.6
72.08148	0.4
73.02924	1.8
79.05482	1.3
81.03407	1.2
81.07041	2.1
83.04929	0.4
84.04491	0.5
84.08120	0.9
85.02908	2.0
86.09705	0.9
91.03975	0.5
91.05466	2.7
93.07031	1.5
95.04971	1.2
95.08599	1.3
97.02899	1.4
97.10165	0.4
98.21397	0.6
98.25947	0.5
105.07018	1.4
107.04954	0.6
107.08572	0.8
109.06490	0.6
109.10162	0.8
111.04451	0.4
117.03368	0.5
117.07036	0.6
117.08056	0.4
119.08572	1.1
121.06477	0.5
121.10140	1.1
127.03933	0.5
128.06213	0.4
129.07028	0.6
131.04973	0.4
131.08603	1.0
133.10127	1.0
136.06140	0.9
137.02380	0.4
137.06056	0.6
145.02870	1.0
147.04456	0.8
147.11633	0.5
149.09615	0.7
153.01833	0.4
159.11726	0.4
167.07037	0.4
171.11642	0.4
173.09622	0.4
175.04010	0.6
177.05417	2.5
185.04271	0.5
215.05298	0.4
229.06920	0.6
251.06851	1.2
315.04950	0.6
317.08426	8.4
365.23392	0.5
369.07666	0.4
383.11328	1.6
383.23480	0.5
390.29016	0.4
399.11105	1.2
413.12094	1.0
459.04346	0.4
518.17578	0.4
544.32117	0.6
545.16278	100.0
545.33490	13.2
546.16699	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	544.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57182	0.7
55.01863	1.3
55.05518	1.7
56.05022	1.1
57.03436	1.3
61.02903	1.6
67.05489	2.3
67.09684	0.8
69.03416	4.7
69.07059	3.3
70.06601	4.7
71.01350	1.4
71.04976	1.2
71.58010	1.4
72.08151	1.6
73.02914	2.1
79.05486	2.1
81.03424	3.6
81.07042	2.0
83.04956	0.9
84.04506	1.8
84.08137	2.5
85.02906	20.8
86.09710	3.5
91.03989	1.2
91.05479	3.1
92.94796	0.8
93.07031	1.7
94.06588	1.9
95.01344	8.1
95.04972	2.3
95.08596	1.1
97.02889	6.1
99.00808	1.1
99.04433	1.4
103.03947	1.3
105.07046	1.4
107.04952	1.5
107.08627	1.3
108.04479	3.6
109.02892	1.4
109.05249	9.4
110.06034	4.8
110.07192	0.9
113.02347	1.1
118.06503	1.3
119.08595	1.0
120.04373	1.8
121.10117	1.1
122.06024	12.3
127.03902	4.0
131.03397	1.1
131.04974	0.8
132.04453	4.3
133.05217	3.0
134.06021	1.9
136.04033	1.7
136.06171	2.0
136.07581	2.4
141.01826	16.4
143.08618	0.8
145.04939	5.5
145.10147	1.1
146.06004	17.9
147.04442	2.4
149.04745	1.1
150.05513	1.8
159.02879	1.2
159.06789	3.1
160.07640	1.8
162.09134	1.5
163.06129	1.0
164.07114	1.2
177.05501	1.0
177.12793	1.0
178.12262	9.2
188.10701	22.6
190.08583	1.0
191.61841	0.8
206.11761	100.0
207.06523	2.7
207.12175	1.4
244.57042	0.8
257.18967	0.9
257.60886	0.9
276.20346	1.6
322.53140	0.9
350.24176	2.3
355.08173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.5
53.03948	0.6
60.66906	0.5
63.02374	0.7
63.26456	0.4
64.45159	0.4
65.93083	0.4
69.03425	1.5
70.06580	2.3
72.08151	1.4
75.75359	0.5
77.87687	0.4
81.03415	5.2
84.04511	0.9
84.08129	1.7
85.02891	1.2
86.09692	2.3
89.03915	7.5
91.05451	1.1
97.02872	0.7
99.04426	0.6
109.02892	1.1
117.03377	20.0
119.04948	0.6
120.08118	0.4
132.04448	9.7
134.03622	1.7
135.04410	1.2
145.02843	50.2
146.03133	0.5
147.04396	1.2
149.05966	7.0
160.03925	0.6
163.03963	0.6
177.05464	100.0
178.04980	68.4
179.05316	0.9
186.05531	1.0
195.06473	0.5
206.04480	94.2
207.04703	0.8
321.09683	6.9
339.10846	2.7
368.09531	0.8
383.11221	0.9
509.73105	0.5
512.20081	0.5
544.23950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.7
55.05512	49.8
57.03449	31.1
57.07075	59.6
65.03940	5.7
67.05502	74.8
67.64505	6.3
69.07072	74.1
70.84201	19.3
71.08627	44.6
74.21056	6.6
75.04489	15.2
77.59589	5.7
77.91209	5.8
78.68730	5.5
79.05499	38.9
80.79286	5.9
81.06641	10.8
81.07061	100.0
83.05000	8.0
83.08615	59.6
85.10188	16.5
91.05478	22.0
93.07053	33.2
94.26884	5.9
95.08601	77.0
95.09161	7.0
97.06554	12.8
97.10164	48.5
97.54656	6.3
105.07076	9.8
107.08582	26.6
109.10170	32.4
111.08100	7.5
111.11730	9.7
121.10130	31.4
123.11731	14.3
125.09634	12.2
125.13234	5.8
131.08513	8.5
133.10162	6.7
135.11700	20.1
137.13261	7.2
143.08720	6.9
145.10199	6.7
145.82391	5.6
149.13214	15.4
250.91071	6.3
349.34619	16.9
359.33096	22.0
377.34222	53.7
413.36133	43.5
442.65033	6.7
451.37827	44.3
469.39029	73.6
525.41254	20.8
543.43134	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77802	1.2
53.03936	4.5
55.01871	6.5
55.05265	2.0
55.05509	28.5
57.03444	6.4
59.05003	1.6
63.74312	1.1
65.03929	2.8
67.05502	42.7
69.03418	1.9
69.07065	17.2
69.91592	5.1
69.92018	2.2
71.04995	3.3
73.02933	1.6
75.82808	1.3
79.05489	34.5
81.03412	5.7
81.07053	40.5
83.04981	4.5
83.08611	16.3
85.06543	3.9
91.05474	31.0
91.06014	2.7
93.07041	30.3
95.04972	12.2
95.08601	20.4
97.06514	3.9
97.10164	14.0
98.11772	1.2
99.08097	1.7
103.05475	1.5
105.07027	27.0
107.04947	5.0
107.08580	20.4
109.06517	5.4
109.10149	13.8
111.08076	3.6
115.05447	2.6
117.07020	19.5
119.08578	20.0
121.06507	5.1
121.10157	9.7
123.08098	4.0
123.11709	2.9
125.09633	11.6
128.06232	2.8
129.06995	13.7
130.07811	1.9
131.08565	21.7
133.06509	2.0
133.10132	13.3
135.08049	6.4
135.11728	7.0
137.09666	2.4
141.06973	4.5
141.32526	1.2
142.07782	3.5
143.08556	14.2
145.06479	4.6
145.10109	21.3
147.08063	3.8
147.11687	10.3
149.09630	3.8
149.13249	5.2
151.11185	1.3
154.07826	1.7
155.08525	8.4
157.06523	1.5
157.10130	14.5
159.08069	5.2
159.11667	15.4
161.09613	3.0
161.13283	3.8
163.11249	3.8
167.08539	3.0
168.09285	1.2
169.10149	9.5
171.08044	2.2
171.11710	10.3
173.09705	5.0
173.13235	9.8
175.11224	1.9
179.08546	1.5
179.14299	1.8
181.10149	4.8
182.10780	1.3
183.11713	10.0
185.09619	1.8
185.13280	6.0
187.11232	2.9
187.14879	4.3
189.11215	4.1
189.12717	2.2
193.10158	2.0
193.12277	1.6
195.11705	4.6
197.13254	6.7
199.11220	2.4
199.14868	3.7
201.12889	1.5
209.13318	3.5
211.14810	3.7
213.12762	1.8
213.16440	2.0
215.14282	1.6
221.13226	2.1
223.14943	2.4
225.16417	2.1
227.12814	5.2
239.17967	2.5
247.16927	1.5
257.19073	3.0
259.20612	3.0
267.15924	2.0
273.18588	1.6
275.20093	8.3
277.21729	2.5
281.22763	1.7
281.80905	1.2
283.20526	2.3
285.18570	1.6
297.18683	1.6
297.22107	3.0
299.23633	10.2
301.21524	1.8
315.23154	1.8
405.31055	1.7
415.29916	3.5
421.25671	1.8
423.32544	2.7
433.31036	9.6
451.32047	18.4
469.33163	10.9
487.34006	1.6
507.35107	2.7
525.35785	28.4
543.36780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24617	0.7
53.03966	1.1
53.15951	0.9
54.55168	0.8
55.05508	1.2
57.03448	1.4
67.05517	1.8
69.03419	1.4
69.07079	2.5
69.27730	10.3
70.06577	5.1
71.05003	1.0
72.08170	1.4
74.06099	1.0
76.02231	1.3
79.05497	2.1
81.03445	2.4
81.07072	3.0
84.04491	1.2
84.08152	2.4
85.02924	2.6
86.09726	3.6
91.05502	2.5
93.07065	2.1
94.99517	0.7
95.04988	2.4
95.08617	1.9
97.02928	1.7
97.06551	1.2
98.21149	4.2
103.05460	0.9
105.07038	2.2
107.04992	2.0
107.08617	1.1
109.02853	0.9
109.06551	1.9
117.07100	1.1
119.04971	1.0
120.08073	1.4
121.06496	1.1
121.10195	2.0
127.03914	0.9
129.73831	0.7
130.05046	1.0
133.10164	1.2
136.05292	1.0
136.06230	2.6
137.06023	1.4
137.09616	1.1
141.05263	1.2
141.07034	0.9
146.87469	0.8
147.04405	1.4
152.05791	1.0
153.01828	1.9
167.07095	2.5
175.19235	1.0
189.05592	0.9
277.16827	1.7
287.07571	3.3
293.21176	1.1
295.18710	5.9
345.11737	1.4
367.17563	1.4
439.23532	1.8
457.24030	9.0
481.24387	4.0
499.25131	33.1
525.14893	1.3
525.23187	15.1
543.14996	7.6
543.24329	100.0
544.24438	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03724	0.7
59.73962	0.6
66.92544	0.6
70.74117	2.2
100.58504	0.6
108.42109	0.6
175.65567	0.8
180.35136	0.7
322.38083	0.8
338.66379	0.8
363.06790	6.2
381.07925	14.9
398.57861	0.7
456.13120	0.8
532.21466	0.7
543.13190	100.0
544.13086	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	543.219
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76144	3.1
65.04630	2.6
69.28804	16.2
69.29227	11.4
70.06584	3.4
84.08121	2.3
98.21568	5.3
104.82540	3.1
118.06555	13.7
132.08095	6.2
143.07339	3.4
144.08086	11.0
146.06010	63.2
159.09175	4.2
170.06013	3.4
188.07071	100.0
205.09767	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	543.132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66542	0.5
56.05015	2.0
56.96552	2.2
57.05368	0.8
67.05548	0.6
70.06572	0.8
70.40453	1.2
70.40858	1.4
72.08135	1.1
84.08144	62.6
85.02868	0.8
85.07925	1.2
85.08470	17.5
85.08950	1.3
86.09685	1.1
97.02870	0.8
98.97579	3.3
112.05106	1.1
112.99162	1.1
115.02432	0.7
116.98633	3.0
119.01904	2.2
121.01637	0.6
130.08638	100.0
131.00177	1.6
131.01868	0.7
131.08994	34.6
132.10178	0.6
133.01671	0.8
133.03464	2.8
134.99677	1.1
139.67471	0.6
143.01817	1.0
145.01674	0.8
145.03456	0.9
146.99619	0.7
147.05016	1.4
149.01225	2.0
151.04483	1.4
155.01955	0.8
157.03474	0.7
161.01224	0.7
161.02975	1.1
163.02669	1.5
167.02252	0.9
170.06660	0.9
171.05008	6.9
173.02919	1.3
175.02829	0.8
175.04500	0.9
177.00777	1.1
181.07980	1.3
185.02921	0.8
186.04356	0.9
187.02788	1.3
187.04430	0.8
189.00713	1.2
189.04335	0.9
189.06120	2.1
191.02097	0.6
193.03828	1.1
197.02951	0.9
201.06041	0.7
205.03983	0.7
207.07114	1.0
210.89784	0.6
211.04767	1.7
217.06834	0.6
219.01768	1.8
219.07133	1.8
221.05110	1.4
223.04941	0.8
225.06163	1.0
225.08243	2.3
231.07149	1.7
237.02873	2.3
245.05110	2.5
247.04942	1.7
249.08191	2.7
255.07098	1.1
261.08188	3.3
263.09827	1.2
270.16345	1.2
273.08316	1.3
279.03958	1.4
321.10364	7.2
322.10156	0.7
323.10220	0.7
337.08008	4.4
339.11502	1.1
351.11365	14.2
355.09192	3.2
363.06760	4.0
367.09268	1.6
381.07907	10.7
413.21268	0.8
511.09842	1.0
525.12854	0.9
526.47827	0.8
543.13263	71.1
544.13641	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32104	0.5
53.03959	0.5
54.54860	0.4
60.04526	0.5
60.28575	0.5
70.06596	1.1
71.06933	0.9
71.59702	0.4
79.05472	0.9
81.03423	0.9
85.02894	1.4
86.10558	0.4
91.05498	1.7
93.07066	1.0
94.53130	0.5
97.02895	1.2
103.05463	7.0
104.74222	0.6
106.89612	0.4
107.04951	1.8
113.07184	0.5
119.04920	1.0
120.08105	100.0
121.08441	0.9
127.03922	0.6
131.04941	2.1
135.04449	0.9
136.06210	4.0
137.05957	1.4
137.08144	0.6
147.04391	2.6
149.05971	1.8
166.08641	42.7
167.07028	1.2
179.07011	3.1
223.66161	0.5
295.06671	0.5
316.55984	0.6
446.34006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01864	2.3
55.05511	1.0
57.03429	1.4
59.13091	0.7
60.04511	0.6
68.59480	0.6
69.03418	3.0
70.06587	4.5
71.04972	0.7
71.58009	1.0
72.08144	2.3
73.02895	0.7
79.05492	1.6
81.03400	2.0
81.07048	1.0
84.04508	1.2
84.08143	2.0
85.02898	11.1
86.09695	2.8
87.00813	1.4
91.05521	3.2
93.07024	1.2
94.04160	1.9
95.04952	1.7
97.02876	3.3
99.04468	1.0
103.05470	6.3
105.01861	2.3
105.07051	4.4
106.04187	1.0
107.04929	1.0
109.02872	1.9
109.06480	1.3
110.07150	1.0
117.06969	1.1
119.04937	1.3
120.08095	0.7
121.06487	4.1
122.03630	6.1
124.05209	0.7
127.03918	3.3
128.06207	1.2
129.06985	0.9
129.10233	1.0
131.04915	8.5
133.06483	17.1
135.08064	6.1
137.05971	100.0
141.01805	1.3
143.08525	1.6
145.04941	1.6
145.06470	3.8
147.04503	0.8
147.08020	2.0
149.05981	2.9
151.07549	5.9
153.55753	0.6
157.06519	1.6
159.07965	0.7
163.07541	28.1
165.09061	0.8
169.34016	0.7
171.07976	1.7
174.06818	1.2
175.07539	2.6
177.05560	1.9
177.09143	0.7
187.07645	0.9
188.08322	1.3
189.09134	3.6
194.06841	0.7
203.10608	3.5
209.08052	3.9
210.08409	1.0
219.10153	0.9
231.05034	0.7
235.11220	1.2
263.10760	2.4
292.18967	0.8
295.13342	12.2
327.15875	16.8
335.49335	0.7
345.17068	1.4
443.36493	0.8
473.06857	0.8
542.26221	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05033	1.8
56.96554	0.4
71.57510	0.4
84.08143	60.6
85.08483	0.5
98.97573	0.7
116.98620	0.5
130.08638	100.0
131.00247	0.3
131.08992	0.8
134.99672	0.2
136.06143	0.4
138.46445	0.2
145.01649	0.2
149.01166	0.3
161.01175	0.2
163.02718	0.2
173.02594	0.2
186.04414	0.2
204.05479	0.2
211.04758	0.2
237.02837	0.2
267.80862	0.2
301.14417	0.2
321.09857	0.2
355.09070	0.3
412.21335	0.2
413.12939	0.2
413.21582	0.3
504.99777	0.2
543.12982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.8
69.84432	0.3
71.57634	0.4
71.57993	0.5
84.08141	58.7
85.08485	0.5
92.51012	0.4
104.11348	0.3
130.08638	100.0
131.08995	1.1
136.06195	0.8
242.09764	0.4
368.98465	0.4
413.21707	0.6
430.47485	0.4
475.29819	0.4
543.13165	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.9
51.02372	2.3
51.56809	1.0
53.03941	8.9
55.01857	2.5
55.05510	26.9
57.03437	2.4
57.07068	3.1
63.25491	1.1
65.03931	6.4
67.05502	81.7
68.21846	0.9
69.03420	2.2
69.07068	21.1
71.04984	3.0
76.38979	0.9
79.05489	100.0
81.03436	6.1
81.07052	71.3
83.04977	10.5
83.08615	10.6
85.06525	3.6
91.05479	68.3
93.07040	81.7
95.04971	23.9
95.08605	46.2
97.02855	1.0
97.06540	5.1
97.10187	4.0
99.08094	1.1
103.05465	1.4
105.04500	1.7
105.07029	46.3
106.07354	1.0
107.04966	4.7
107.08588	29.7
109.06532	6.7
109.10165	12.0
111.08100	2.6
115.05437	1.6
117.07001	15.2
119.08578	29.8
121.06478	2.6
121.10142	21.0
123.08083	5.2
123.11715	3.6
127.07513	1.0
128.06236	3.3
129.07002	12.4
130.07755	1.4
131.08551	15.8
133.06419	1.4
133.10127	15.2
135.08095	1.3
135.11682	12.0
137.09669	1.3
139.11168	1.0
141.07007	2.1
142.07809	1.2
143.08560	12.5
145.10121	14.9
147.08075	1.4
147.11688	31.9
149.13264	4.9
155.08589	3.8
156.09235	1.3
157.10161	3.0
159.11641	7.8
161.09639	2.6
161.13263	13.0
163.14818	1.8
169.10146	5.1
171.11668	22.9
173.13286	4.3
175.14777	1.2
181.10132	2.1
183.11757	3.9
185.13307	3.1
187.14835	1.3
189.12733	7.7
195.11742	2.1
197.13289	2.2
199.14876	1.3
207.11903	2.2
207.13809	20.9
209.13354	1.5
225.14795	1.9
243.21127	1.6
261.22174	5.3
263.18686	1.0
281.17545	1.5
368.48779	0.9
419.63901	1.0
442.68622	1.1
449.34238	3.8
467.35608	2.1
523.38605	1.8
541.38953	64.5
542.39392	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
53.03944	8.8
55.01871	2.9
55.05508	27.2
57.03440	3.1
57.07063	2.4
57.27526	0.9
65.03938	5.9
67.05503	79.3
67.79453	0.9
69.03432	2.6
69.07064	19.6
69.83772	0.8
71.04990	3.1
73.06544	1.4
77.03929	1.4
79.05489	100.0
81.03414	7.0
81.07053	72.4
83.04976	11.8
83.08616	10.4
85.06535	2.9
88.07638	1.2
91.04960	1.2
91.05476	70.7
93.07038	92.9
95.04963	29.2
95.05555	1.4
95.08603	47.1
97.06535	7.2
97.10189	4.1
99.08110	1.7
103.05460	1.8
105.04520	2.0
105.07027	47.8
107.04988	4.1
107.08592	31.9
109.06515	7.9
109.10154	12.3
109.10825	1.0
111.08112	2.9
115.05443	1.9
117.07012	12.7
119.08579	30.8
121.06533	1.7
121.10140	20.6
123.08070	5.2
123.11747	2.8
125.09664	1.4
127.07571	1.7
128.06262	4.0
129.07008	14.2
131.08556	14.7
131.09375	1.2
133.10126	16.9
133.11067	1.3
135.08072	1.4
135.11681	14.6
135.12581	1.3
137.09616	1.8
141.07065	2.3
143.08539	9.8
145.10117	15.9
147.08058	3.3
147.11682	33.0
147.12764	2.1
149.13245	6.3
155.08591	2.0
157.10181	2.5
159.11682	7.4
161.09683	4.3
161.13229	14.7
163.14822	1.7
167.08633	1.0
169.08861	1.0
169.10176	3.0
171.11673	29.3
173.13324	4.2
175.14857	2.0
181.10146	2.5
183.11653	1.1
184.07451	1.0
185.13310	2.3
187.14795	2.3
189.12752	10.5
199.14909	1.8
201.16457	1.3
203.09537	1.1
207.13795	26.7
209.13397	1.2
211.14905	1.3
215.17905	0.9
219.82372	1.1
225.14986	3.4
243.21272	2.2
259.20688	1.3
261.22098	6.5
281.17587	3.2
289.73245	0.9
431.33365	1.4
449.34351	4.1
523.37762	1.1
540.53528	2.1
541.39105	75.7
541.54260	3.8
542.38910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	25.6
57.07084	7.0
57.46510	3.9
62.21107	3.8
67.05505	50.6
69.07063	16.5
69.29633	49.3
73.06120	4.7
75.18168	3.7
79.05496	39.2
81.03415	9.2
81.07057	48.1
83.04982	4.2
83.08623	8.3
90.03065	4.2
91.05478	35.8
93.07052	37.6
95.04961	14.9
95.08593	31.7
97.06540	6.3
97.10183	7.0
105.07036	30.6
107.08595	19.0
109.10151	9.4
112.11971	4.3
115.05463	5.6
116.89427	4.0
117.07024	16.1
119.08554	23.3
121.10142	12.0
125.09625	5.3
128.06186	4.7
129.07005	18.1
131.08603	26.4
133.10107	10.7
135.11700	8.5
141.06929	4.5
142.07825	4.8
143.08578	28.5
144.08472	4.0
145.10117	16.7
147.11696	14.8
149.13287	5.2
155.08562	20.8
157.10202	20.3
159.11743	8.6
161.13203	9.2
169.10130	19.5
169.11411	4.3
171.11729	16.2
173.13202	7.6
181.10191	10.2
183.11662	15.4
185.13290	8.7
188.67274	5.5
195.11728	5.0
197.13280	11.3
199.14771	12.6
209.13257	7.3
213.16451	4.6
223.14790	5.4
226.97289	5.3
251.17851	4.8
293.43814	4.4
311.20123	4.7
311.23837	6.3
431.33170	8.9
434.60504	5.1
449.34213	18.5
467.35208	8.5
523.37646	12.9
541.39087	100.0
541.52795	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	541.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01833	2.1
51.02399	3.3
53.03955	11.7
53.14262	2.0
55.01871	2.7
55.05513	30.0
57.03422	3.1
57.07078	6.2
65.03934	6.6
67.05510	81.1
67.05873	3.8
69.03437	2.4
69.07076	19.7
70.06592	3.2
70.24134	4.2
70.24552	8.1
79.05496	100.0
81.03402	7.4
81.07057	77.5
83.04984	11.9
83.08611	9.5
85.06544	2.8
88.07623	5.7
91.05483	76.3
93.07047	94.7
95.04982	27.9
95.08051	3.8
95.08615	48.8
97.06528	5.9
97.10123	4.6
98.20865	2.4
102.09200	3.5
105.04519	2.1
105.07035	52.0
106.05058	3.0
107.04919	5.6
107.08596	32.9
109.06513	8.3
109.10151	11.5
111.08035	3.0
117.06998	14.2
119.08591	30.1
121.10128	24.7
121.10818	2.4
123.08076	6.1
123.11729	2.3
129.07001	20.3
130.07733	2.7
131.08568	10.6
133.10135	13.9
135.11722	11.4
141.07014	2.9
143.08542	12.6
144.54144	2.2
145.10129	18.9
147.11688	35.0
149.13283	5.6
155.08475	2.8
157.10143	5.0
159.11688	7.6
161.09654	2.7
161.13228	14.0
169.10138	4.6
171.11707	30.3
173.13237	3.1
184.44682	2.4
185.13260	2.9
189.12743	6.7
207.13802	25.9
225.14803	3.3
256.26358	6.1
257.26810	3.2
261.22073	3.8
311.29459	5.6
312.29932	5.7
449.34698	3.0
538.75946	2.5
539.67200	2.7
540.53278	4.8
541.39008	72.9
541.53510	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
57.87338	0.6
60.26440	0.7
64.76484	0.6
67.05507	2.2
69.03415	1.3
69.07073	1.1
71.58432	0.9
75.21375	0.6
79.05499	1.9
81.03410	0.8
81.07062	2.5
83.08611	1.2
91.05482	1.7
93.07036	1.1
95.04969	1.1
95.08607	1.6
97.10081	0.8
105.07082	1.5
117.07078	0.7
119.08583	1.6
121.08802	0.6
129.07053	0.8
131.08585	1.1
133.10081	0.9
183.83569	0.6
185.09663	0.6
185.13275	0.6
253.27130	0.7
275.19904	0.8
312.29971	0.6
353.29190	0.7
394.96509	0.9
411.29773	0.9
423.18289	0.7
467.32477	1.1
541.37097	100.0
541.54114	2.7
542.37469	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59252	3.1
53.03937	5.4
55.01891	3.2
55.05515	19.4
57.03432	9.5
57.07078	19.8
58.03791	3.8
59.08433	3.4
61.02952	3.5
65.03922	5.1
67.05502	45.9
69.03134	3.0
69.03433	30.5
69.07059	31.3
70.06599	17.3
71.04471	8.7
71.04966	3.4
72.08156	7.9
79.05477	22.1
81.03426	7.9
81.07062	85.8
83.04968	7.7
83.05439	3.7
83.08596	9.9
84.04504	5.6
84.08134	8.0
85.02918	16.7
85.06022	5.0
85.06543	100.0
86.09701	5.5
91.05466	18.9
93.07044	45.0
95.04956	10.0
95.08613	60.8
97.02876	5.8
97.06523	10.1
97.10183	4.5
99.08082	13.7
105.07037	26.9
107.08572	28.7
109.06495	6.4
109.10155	51.2
111.08057	15.9
113.09697	3.6
119.04961	4.9
119.08581	20.4
120.08100	4.7
121.10142	24.2
123.04433	7.8
123.08118	3.8
123.11703	43.7
125.09638	65.9
129.10184	5.0
131.04947	3.8
133.10078	9.2
135.11691	20.0
137.05977	8.3
137.09631	6.3
137.13298	6.7
138.05336	3.3
139.11172	15.1
141.01851	8.1
145.10088	5.2
147.04424	7.6
147.11685	11.3
149.05945	4.0
149.13229	11.3
151.11172	6.1
153.01801	7.8
153.12753	10.3
155.06999	4.4
155.10655	8.3
157.12143	4.0
159.11679	6.6
161.13254	9.0
163.14825	8.1
165.12727	4.4
167.07216	3.6
169.12251	10.6
171.13823	49.9
173.13286	3.8
175.14706	3.9
177.05489	7.7
177.16336	4.7
180.10222	8.5
191.17905	10.4
201.05476	5.9
207.06421	4.4
208.09695	7.2
209.02570	3.7
210.02914	3.7
211.02249	5.1
215.17851	5.7
221.19012	4.2
229.04977	11.3
239.20087	20.1
267.06662	3.4
277.25223	8.0
281.21231	3.6
289.25317	14.1
295.26318	20.4
307.26404	32.4
313.27399	12.0
325.27319	8.5
341.06528	28.6
343.28400	13.7
359.07388	3.9
361.29327	10.3
365.15656	3.5
457.14365	3.9
492.17502	5.0
535.80396	3.7
541.13043	8.8
541.22137	5.7
541.42456	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	541.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04182	8.3
55.05496	24.4
57.03437	12.6
57.07051	11.3
60.53307	8.2
63.67789	8.2
67.05491	35.6
69.03419	34.7
69.07053	13.6
69.38749	88.5
72.73917	8.0
79.05471	26.2
81.03400	27.7
81.07045	33.1
81.75388	7.3
83.04991	20.8
83.07176	8.9
85.02905	47.5
85.06527	21.0
87.00817	17.5
91.05473	41.5
93.07026	34.1
95.04964	24.6
95.08597	31.7
97.02900	18.5
99.04406	9.3
105.07012	22.5
107.04952	71.4
107.08573	34.6
108.05289	28.7
109.02869	10.2
109.06495	13.9
109.10145	22.4
111.08111	15.8
113.12534	9.2
119.08554	33.8
121.06469	14.4
121.10129	43.7
123.04419	52.4
123.08062	9.0
123.11711	13.6
125.09611	16.1
127.03856	22.7
131.08604	13.8
133.10115	18.5
137.09610	19.3
145.10143	24.3
147.04410	14.4
149.09578	36.8
151.11143	11.6
153.09094	18.3
159.08032	10.8
159.11693	16.1
163.11153	18.5
173.13264	24.0
176.29883	9.7
181.90916	8.7
189.12822	9.5
191.14267	13.6
195.75060	8.3
205.12184	14.1
207.13739	9.4
208.51987	9.4
219.13803	10.7
239.17859	10.2
257.18906	17.8
275.20154	65.0
293.21103	90.1
308.06723	14.1
399.01160	8.4
449.19321	17.1
511.28708	19.6
541.12659	10.2
541.30304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09513	1.7
69.03428	1.9
69.75365	8.5
69.75774	3.6
70.06593	7.4
72.08154	3.1
79.05489	2.7
81.07055	2.4
84.08140	4.6
84.91352	1.6
85.02922	4.2
86.09714	5.5
86.41663	2.1
91.05475	8.8
93.07022	4.0
98.20807	2.0
98.21369	4.3
100.07616	1.9
103.05467	8.8
104.05379	1.9
105.07032	2.7
107.04932	2.5
115.05480	3.6
117.07018	5.2
119.08592	15.0
121.10194	2.5
122.03659	3.1
127.15142	1.9
128.06274	2.7
129.07008	3.9
131.04915	14.8
132.05687	6.7
136.07526	2.1
137.05972	60.7
147.04422	5.0
147.08017	11.1
149.06030	2.8
154.78310	1.9
160.05203	5.7
163.07553	32.2
163.08809	3.3
175.07539	100.0
193.08578	3.1
209.08185	3.1
219.10234	2.9
266.46756	1.8
293.83569	1.9
325.14279	10.3
343.15543	2.2
371.23145	2.0
546.65509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04516	1.3
65.03937	1.0
68.92532	0.9
69.03437	2.2
70.06580	5.4
70.14539	4.5
71.01360	1.0
72.08154	2.7
79.05476	1.6
81.07064	1.5
84.04518	1.3
84.08141	2.9
85.02901	2.3
86.09710	3.5
88.02935	1.0
91.05487	10.0
93.07054	3.5
94.04200	1.6
95.04987	1.3
97.02889	1.7
100.07623	1.0
103.05466	8.4
105.07056	2.2
107.04942	2.6
107.74741	1.1
108.94015	1.0
110.07126	1.1
115.05445	2.0
117.07021	1.8
119.04911	1.4
119.08585	14.0
120.08080	2.2
122.03663	3.3
127.03973	1.4
128.06218	2.3
129.07004	3.2
129.10265	1.3
131.04909	17.2
132.05701	5.0
133.06505	1.5
135.08051	1.6
137.05974	65.2
145.06384	1.2
147.04442	5.6
147.08049	11.0
149.05978	2.4
151.07512	1.3
157.06454	1.3
160.05182	4.0
161.05948	1.7
163.07545	31.9
165.09155	1.3
169.06444	2.0
175.07545	100.0
177.05511	1.7
179.07039	4.0
187.07552	1.6
189.09180	1.6
193.08601	4.7
201.09154	3.2
209.08067	2.4
219.10240	1.2
253.68158	1.0
279.09976	1.1
325.14301	8.0
343.15204	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.234
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05431	0.4
69.07030	0.6
70.06554	0.4
71.17337	0.6
71.17670	0.7
72.46844	0.4
79.03451	0.3
85.02840	0.5
91.05454	0.5
93.07000	0.9
95.04937	0.6
100.59554	0.4
107.08570	0.4
110.05977	0.5
118.99506	0.4
120.04433	1.3
121.10115	0.8
122.05966	1.0
140.07040	0.9
146.05981	0.9
150.05246	0.4
152.07079	2.0
154.04987	0.4
154.08588	0.6
156.10194	1.0
167.06956	0.5
176.10658	1.6
191.07077	0.4
194.08087	1.8
202.08653	0.6
209.10696	1.7
210.11473	0.5
211.12236	0.5
219.40092	0.4
221.10675	1.0
222.07869	0.6
222.11491	0.5
223.08691	0.7
223.12341	2.2
224.09506	0.8
225.10178	3.4
226.10898	0.5
227.11765	0.4
234.09087	0.8
235.08627	3.7
236.09290	2.8
237.10202	9.4
238.10991	2.4
239.11717	1.5
240.12550	0.7
241.13332	0.8
248.09308	0.9
249.10246	8.5
250.10930	5.1
251.08041	1.7
251.11774	17.4
252.08888	0.8
252.12642	3.0
253.09700	16.1
253.13274	0.8
254.10350	1.1
261.10229	1.4
262.11002	1.1
263.08112	0.6
263.11777	2.3
264.08859	1.0
265.09717	19.2
265.12732	0.9
266.10437	2.3
267.11258	5.4
269.12762	0.5
277.09723	4.1
278.06799	0.9
278.10480	7.0
279.07697	5.1
279.11234	24.7
280.11966	5.2
281.09396	0.9
281.12805	1.9
282.09842	0.9
283.10760	1.4
289.09576	1.3
291.11200	1.0
293.09171	5.2
293.12802	6.2
294.09909	3.4
294.13242	0.8
295.10739	4.1
295.14362	3.0
296.11459	1.6
297.12357	4.4
306.09814	1.3
307.10675	2.6
308.11478	1.4
309.08792	0.9
309.12274	6.2
310.13010	0.5
311.10217	3.3
311.13901	2.2
312.11026	10.0
312.14499	0.5
321.12305	0.7
323.10388	0.6
323.13876	1.5
324.11002	4.1
325.11801	13.4
326.12469	1.5
327.13373	46.4
328.13638	1.8
335.10168	5.6
336.11017	1.4
337.11755	4.5
339.13379	100.0
340.14008	4.0
341.15073	1.2
349.12198	0.5
352.10464	1.9
353.11310	8.3
354.11798	0.6
357.14389	0.5
367.12869	89.5
368.13550	8.3
384.13162	0.6
385.13916	12.1
399.10184	0.9
399.15494	15.4
400.15952	0.7
476.18030	3.8
480.21378	1.9
491.66553	0.5
508.20789	77.2
509.21088	2.7
526.21930	2.2
540.12927	1.3
540.23242	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	540.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00997	1.2
55.01888	1.0
57.03440	7.8
61.02912	3.9
67.05492	1.5
69.03427	10.0
69.07076	1.6
69.27563	11.1
70.06586	2.9
71.04964	1.1
73.02918	18.1
77.39615	1.0
79.05481	3.5
81.03421	2.1
81.07046	3.2
84.08139	1.1
85.02908	14.0
86.09708	1.5
91.05484	100.0
93.07047	2.0
95.04952	1.6
95.08575	2.2
97.02887	15.6
98.09704	1.0
98.20484	1.2
100.19372	1.0
100.74112	1.3
105.07044	1.3
107.04957	55.7
107.25793	1.2
109.10101	1.1
111.04431	1.4
115.03930	10.5
115.04657	1.5
115.10865	0.9
119.04989	1.1
121.06462	1.5
127.03898	4.3
131.04811	1.0
133.04967	2.6
134.03514	1.0
136.06189	1.9
145.04961	3.3
147.04471	1.3
181.12251	2.7
191.07141	1.0
199.13399	1.7
229.08495	2.9
241.07082	1.5
253.09689	1.7
327.05429	1.0
327.10126	1.1
327.13361	7.1
328.25916	1.1
331.08707	1.1
343.24838	1.3
442.38901	1.1
569.82953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89810	0.5
69.07033	0.8
69.98709	3.0
70.06532	0.6
86.09641	0.5
91.05415	0.8
98.21288	0.9
100.45226	0.4
116.31261	0.4
119.04977	0.6
120.04443	1.1
147.04347	0.6
152.07024	1.7
156.10144	0.7
168.10156	0.8
175.03783	0.7
176.10620	1.3
192.06519	0.8
194.08073	1.7
194.09744	0.5
196.09802	1.0
207.06410	2.0
209.10678	2.2
210.11475	0.7
211.12195	0.8
221.10765	0.7
222.07861	0.5
223.08499	0.5
223.12326	2.4
224.09193	0.7
224.12790	0.5
225.10210	3.1
225.13843	0.7
233.10783	1.0
234.11469	0.6
235.08627	3.1
235.12192	0.6
236.09409	2.7
237.10202	10.7
238.11069	2.8
239.11678	1.1
248.09229	1.0
249.10242	8.9
250.10988	5.6
251.08061	1.4
251.11787	17.4
252.08884	0.7
252.12442	2.3
253.09717	16.3
253.13193	1.3
261.10220	1.6
262.10977	1.1
263.08154	1.5
263.11703	2.5
264.12466	0.6
265.09698	18.9
265.12766	1.0
266.10300	1.2
267.11261	4.7
268.11575	0.5
277.09753	4.2
278.07129	1.0
278.10486	7.2
279.07648	4.2
279.11224	23.5
280.12009	4.4
281.09348	0.9
281.12796	2.0
282.10095	1.0
283.10788	0.7
285.12396	0.6
291.11316	0.6
293.09158	5.0
293.12787	6.0
294.09906	2.8
294.13525	1.3
295.10736	3.7
295.14365	2.6
296.11450	1.5
297.12299	5.8
299.13934	0.6
301.15131	0.6
306.09821	0.9
307.10675	2.2
308.11438	1.6
309.08847	1.0
309.12241	5.7
310.13110	0.6
311.10196	3.3
311.13910	1.8
312.11008	12.0
321.12381	0.6
323.13846	1.2
324.11023	3.1
325.11780	12.1
326.12234	0.8
327.13373	44.9
328.13757	1.4
335.10153	4.5
336.10989	1.4
337.11731	4.9
339.13370	100.0
340.13788	4.6
341.14954	0.8
352.10507	1.8
353.11255	8.0
354.11954	0.6
357.14304	0.7
367.12857	87.2
368.13516	8.8
385.13913	11.3
386.13995	0.6
399.15512	14.7
400.16006	1.1
476.18069	4.4
480.21292	2.2
508.20767	67.2
509.21207	2.9
526.21857	1.6
540.23322	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	539.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	22.7
57.03464	2.8
57.07077	61.5
59.21722	2.9
62.26006	2.7
65.03927	3.1
67.05506	71.9
69.07061	18.5
71.04993	58.4
71.08633	39.8
79.05487	19.7
81.07059	100.0
81.53141	3.1
83.04987	10.8
83.08618	24.4
85.06547	10.1
85.10175	14.2
89.06005	3.5
91.05477	41.9
93.07059	23.7
95.04964	3.6
95.08607	42.1
97.06543	8.3
97.10175	7.7
105.07032	15.9
107.08592	12.0
108.66014	2.6
109.06516	4.1
109.10139	20.8
110.16409	2.8
111.08049	4.9
117.07027	5.5
121.10123	5.8
123.11713	24.3
131.08595	6.5
133.10144	23.6
135.11690	4.8
149.13280	12.7
151.11172	19.4
159.11691	8.8
177.12799	7.6
183.13802	26.8
187.13284	3.8
195.13780	6.2
213.14836	2.6
239.23744	11.1
269.17627	4.1
273.79800	2.8
283.18994	3.4
285.17084	7.7
313.27689	3.6
314.55472	3.4
339.29236	4.2
341.27051	4.4
345.98154	2.6
370.00748	2.7
495.40503	49.2
539.43121	96.7
540.07404	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	540.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01862	2.1
56.05029	2.2
61.01151	1.1
61.17067	0.9
61.90918	0.9
65.03930	3.1
67.05480	1.2
70.06583	6.0
70.10021	1.0
71.49434	1.5
72.08140	1.5
75.04464	4.1
78.04702	3.9
79.05491	2.7
81.07050	1.7
85.02908	5.8
86.09716	1.5
89.03905	1.5
90.18644	0.9
91.05475	16.3
93.03411	9.7
93.07045	8.3
95.04959	5.9
96.08091	0.9
97.06516	3.4
103.05476	5.2
105.04529	1.1
105.07027	2.0
106.04169	31.1
107.04949	1.9
109.06522	1.1
110.07176	0.9
115.05441	1.1
117.03436	0.9
118.04152	1.4
119.04949	1.4
119.08578	1.6
120.08052	1.1
121.05658	2.0
121.06505	31.1
122.07310	1.2
123.04388	1.5
123.08045	1.1
124.05157	1.2
125.05999	7.9
129.07016	2.6
131.04926	2.3
131.08568	2.2
134.03647	5.0
135.04399	2.1
136.28795	0.9
137.05966	5.6
139.07503	2.5
141.06993	1.8
145.02838	1.1
148.05185	2.2
149.05978	50.1
151.07507	2.8
151.25880	1.0
152.08255	1.3
153.05426	2.9
153.09096	13.4
153.12740	1.3
157.06487	2.3
158.07213	1.3
159.08078	2.9
161.06001	1.2
162.01410	1.0
163.03883	1.3
163.07500	3.3
166.06248	2.3
167.06992	3.4
174.06770	4.2
176.48338	0.9
177.05467	28.3
181.08582	24.4
189.09091	8.8
191.07036	2.5
195.06496	1.1
201.09062	2.6
209.08083	100.0
214.54926	1.0
219.10153	32.9
223.04303	6.9
277.43198	0.9
300.02548	0.9
309.86136	0.9
334.15115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
55.01878	21.5
55.05509	36.4
57.03428	9.4
57.07075	100.0
65.03932	5.2
67.05505	93.5
69.03432	9.7
69.07070	37.5
69.34418	8.0
69.34842	19.1
71.05003	6.3
71.08633	65.7
73.02921	7.8
79.05492	49.0
81.03427	14.1
81.07057	82.4
83.04980	38.8
83.08621	37.6
85.02911	18.1
85.06533	5.9
85.10188	37.9
85.10675	4.6
91.05481	31.9
93.07040	48.5
95.04955	17.2
95.08607	85.3
97.02892	2.8
97.06514	13.7
97.10184	20.2
99.04468	14.2
99.08118	3.1
99.11712	4.0
105.07029	15.7
107.04961	20.4
107.08597	25.1
109.02888	14.1
109.06496	3.9
109.10149	36.3
111.04446	72.6
111.05201	4.3
111.08057	15.1
117.07056	12.0
119.08592	19.6
121.06489	5.3
121.10137	31.8
123.08048	2.6
123.11734	10.2
125.05984	4.9
125.09681	4.2
127.03921	7.5
129.05460	2.7
129.07001	5.1
130.07738	3.0
131.08574	14.6
132.99489	5.8
133.10133	3.9
135.08118	3.0
135.11700	32.0
137.13251	4.9
141.06999	3.5
143.08554	4.9
145.10107	35.1
147.11708	4.1
149.09615	9.2
153.12727	32.4
155.08582	9.3
163.11192	52.3
171.11659	2.5
173.09641	17.7
181.12236	50.5
181.13858	2.6
183.11774	3.4
191.00136	5.2
191.10667	45.2
209.11591	15.5
211.66875	2.5
227.12801	50.3
239.23706	29.1
245.13942	3.3
265.14304	13.5
283.15396	51.1
301.16336	3.9
313.27322	25.3
323.62100	3.1
327.47803	3.2
447.32611	3.9
521.38312	10.8
539.29291	6.9
539.39386	99.6
540.39532	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	539.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	6.2
55.05510	26.9
57.03422	14.3
57.07063	15.3
57.28135	5.0
67.05503	52.7
69.03422	14.8
69.07066	45.6
70.06584	22.1
71.04984	9.6
71.57739	9.1
78.85705	5.1
79.05489	28.9
81.03403	12.6
81.07053	100.0
83.04977	17.2
83.08626	12.7
84.04489	5.8
84.08134	10.6
85.02898	30.6
85.06538	98.7
85.07025	9.7
86.09703	13.9
87.04471	7.5
91.05474	39.1
91.66813	5.7
93.07042	77.2
95.04961	36.2
95.08606	78.8
97.02879	12.0
97.06532	13.3
97.10174	11.5
99.04446	9.6
99.08089	14.0
103.05458	5.2
104.06992	4.6
105.07018	43.0
107.04935	8.8
107.08587	52.3
109.02885	5.2
109.06511	13.7
109.10161	47.8
111.08080	7.6
113.05994	6.4
117.07060	8.5
119.04921	10.9
119.08591	36.9
120.08060	11.2
121.10125	37.5
123.04405	9.2
123.08055	5.9
123.11690	21.6
125.09634	12.0
127.03896	4.7
129.06877	5.3
131.04910	11.9
131.08586	18.8
133.10139	25.3
135.04437	5.4
135.11676	22.7
136.06230	7.5
137.02316	7.5
137.05972	86.8
137.09586	8.8
137.13283	10.4
139.11145	11.6
143.10683	7.5
145.02856	13.3
145.10120	21.9
147.11707	26.5
149.13231	29.8
151.07613	4.7
153.12767	7.0
157.10144	7.4
157.12245	7.0
159.11697	18.8
161.13289	14.7
163.14792	8.6
165.12740	6.2
167.07065	7.4
171.11510	4.8
171.13757	8.1
173.13255	6.8
175.03835	9.6
175.14842	11.4
177.05534	25.8
177.12723	6.2
177.16391	6.0
181.04950	24.0
181.08603	11.8
182.05319	11.2
183.05498	8.6
187.14758	9.5
189.16394	6.6
201.16515	6.3
203.18187	4.7
207.06560	13.2
213.16400	9.3
243.97731	5.1
247.14777	11.5
269.22687	6.9
275.23630	10.4
287.23688	9.9
293.24829	11.8
305.24731	33.9
311.26047	5.5
323.25674	14.6
341.26813	7.6
343.08044	6.4
345.08511	8.9
362.08987	11.1
375.10767	29.3
376.10992	39.9
377.11295	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
55.05510	21.0
57.03429	5.3
57.07066	4.2
62.97405	1.9
64.63008	1.6
67.05508	24.4
69.03419	5.1
69.07067	36.2
70.06586	6.1
70.83574	5.6
71.08601	2.1
72.08158	2.5
73.02905	1.8
78.02103	1.9
78.52483	2.0
79.05494	11.4
81.03409	4.5
81.07056	35.8
83.04980	3.7
83.08633	18.0
84.04502	5.3
84.08138	7.2
85.02903	8.8
85.06533	2.8
86.09701	6.3
91.05482	13.1
93.05514	2.5
93.07046	14.4
95.04961	4.5
95.08603	33.8
95.24684	1.8
97.02887	3.2
97.06541	4.2
97.10165	16.0
105.07033	11.6
107.04932	2.5
107.08575	10.2
109.06484	3.0
109.10137	16.0
111.08058	3.5
111.11699	5.6
115.07575	2.3
117.06989	2.1
119.04990	2.5
119.08575	6.9
121.10158	11.3
123.04443	2.7
123.11690	6.2
126.05529	2.9
127.03922	2.7
133.10117	8.0
135.11699	14.6
136.06143	5.3
137.05956	9.7
137.13251	3.8
139.11148	3.5
141.01819	4.0
147.04402	4.7
147.11699	5.0
151.03902	2.8
153.12781	2.9
161.13255	4.4
163.03857	2.4
165.12796	1.9
167.06952	3.0
175.14816	3.4
177.05521	4.2
179.14285	4.1
181.04950	2.6
193.19531	1.8
208.84506	1.8
217.19577	11.9
235.20502	12.7
246.45978	1.9
253.21686	9.4
285.08655	2.1
308.06717	2.8
309.24167	6.9
317.11411	7.6
327.25299	100.0
328.25580	3.2
339.04895	3.1
343.64301	2.0
345.26324	5.2
368.84949	1.8
377.09848	3.2
413.88016	2.0
447.17618	2.2
484.26740	1.8
485.26501	3.0
508.20609	4.1
509.10077	2.4
521.21484	2.0
539.12018	3.6
539.22003	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.9
55.01875	21.8
55.05507	24.4
57.03434	23.0
57.07076	78.1
61.02922	8.1
67.05505	49.2
69.03429	54.5
69.07071	26.2
71.04982	12.4
71.08630	62.1
71.32119	5.7
71.32469	5.1
73.02919	51.6
79.05478	17.8
81.03415	35.1
81.07059	54.3
83.04958	9.0
83.08621	39.1
85.02904	39.3
85.09804	3.3
85.10190	38.6
89.06022	3.6
91.05476	14.5
93.07040	17.9
95.04926	5.7
95.08607	75.4
97.02897	19.2
97.06535	5.1
97.10181	20.6
99.04450	27.1
99.08112	3.3
99.11722	4.7
105.07021	11.5
107.08566	9.4
109.02877	76.4
109.10155	33.6
109.49809	4.0
110.03657	13.6
111.04444	68.3
111.08056	4.0
111.11687	6.1
121.10146	7.4
123.11716	17.1
125.13210	5.4
127.03912	38.8
132.99567	18.9
135.11644	6.2
137.13217	10.5
140.76131	3.1
145.10112	4.7
151.00613	12.8
161.46898	2.8
163.11168	5.0
164.98572	3.3
172.99013	6.1
191.00078	42.1
209.01132	13.4
209.11719	11.8
221.22632	5.8
227.12621	3.9
239.23709	100.0
257.24689	16.1
265.03677	3.8
283.15439	5.1
289.90161	3.3
313.27374	60.7
328.39264	3.4
433.96817	3.3
539.28741	46.9
539.38519	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	539.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55706	0.7
55.01843	0.9
55.05495	1.4
67.05489	1.7
69.07050	1.0
71.59111	1.0
78.04720	0.8
79.05494	3.1
81.03405	1.6
81.07052	2.4
91.05463	4.4
93.07040	1.5
95.04962	1.4
95.08612	1.3
103.05495	2.4
105.07023	1.7
107.04964	2.3
109.10142	1.8
118.04121	0.9
119.04959	1.2
119.08572	1.7
120.81286	0.7
121.06487	1.8
125.09641	0.8
130.04176	0.8
131.04929	5.9
131.08551	1.1
132.05688	4.8
133.06433	0.9
133.10110	1.3
135.04382	0.8
137.05957	2.0
143.38969	0.8
145.06583	0.8
146.03644	1.0
147.04408	1.2
148.05190	0.9
149.05989	2.1
151.07492	1.1
153.05537	0.9
154.06215	2.8
160.05186	2.2
160.11940	0.8
160.94107	0.8
163.03864	1.0
165.05484	2.2
167.03427	3.9
167.07034	11.3
176.04709	1.0
177.05475	4.8
179.61861	0.8
180.07820	6.3
181.08601	0.8
182.09409	3.6
184.07420	1.2
187.33505	0.7
191.07040	3.5
192.07820	8.6
194.83054	0.8
207.53423	0.8
210.08899	0.9
227.07109	1.0
228.04242	1.3
230.05640	1.8
231.06384	1.7
242.05684	1.6
243.06602	2.1
255.06618	2.6
257.04465	2.2
258.05136	5.2
259.06067	1.9
271.05945	4.5
272.06842	1.6
273.07526	4.5
278.41757	0.8
283.06104	2.1
285.07523	1.5
299.05603	2.8
300.06479	1.9
301.07056	20.2
315.04861	4.7
316.05820	2.5
327.04990	6.9
329.06470	6.0
330.07294	1.6
331.08063	0.8
341.06552	2.1
357.06198	1.6
416.08807	0.9
423.38254	0.9
430.94107	0.8
450.09247	1.0
465.12158	1.3
491.09988	1.0
509.14526	2.2
521.14447	3.8
539.15466	100.0
539.32782	3.0
540.15796	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	539.1549
Annotation	Didmolamide A
Peak:m/z	Relative Intensity
53.03935	0.4
55.01876	0.8
55.05491	0.8
57.03417	0.6
65.59302	0.4
67.05499	1.2
69.07063	0.5
71.57731	0.8
78.04668	0.7
79.05494	1.1
79.11770	0.4
81.03436	0.5
81.07050	1.3
91.05481	2.7
93.07042	1.1
95.04966	1.7
95.08599	0.5
97.75108	0.4
103.05460	3.4
104.06261	1.3
105.03373	0.6
105.06415	0.5
105.07036	2.6
107.04952	1.8
107.08496	0.5
109.06525	0.6
111.04491	0.5
115.05434	0.8
115.16277	0.4
117.03403	0.8
117.07040	0.7
118.04154	1.6
119.04940	1.3
119.08566	0.6
121.06489	1.1
123.04422	0.9
124.05247	0.5
125.02380	0.7
126.18356	0.4
129.06970	0.4
129.33821	0.4
130.04128	1.4
131.04929	12.0
131.08580	0.5
132.05702	11.7
133.02846	1.1
133.06483	1.7
133.10123	0.7
134.03644	0.5
134.65292	0.5
135.04420	0.7
135.08005	0.4
137.05952	0.8
139.03874	0.7
140.04626	2.5
143.04915	0.6
145.02859	0.5
145.10133	0.5
146.03595	2.1
147.04419	1.8
148.05173	0.5
149.05972	2.6
151.03905	0.7
153.05438	0.7
154.06247	1.4
159.04411	0.8
160.05206	3.8
161.05954	2.9
162.03104	0.5
163.03951	0.8
165.05521	1.6
167.03392	4.6
167.07050	6.1
175.03998	0.7
176.04721	1.6
177.05447	5.3
178.06259	1.5
179.03439	0.5
180.07838	2.7
181.08607	1.1
182.09425	1.1
184.05225	0.5
191.07048	3.8
192.07799	12.2
203.03423	0.6
207.02776	0.4
212.04674	0.6
215.06923	0.6
227.03542	0.5
227.06995	1.2
228.04271	1.1
229.05220	0.5
230.05630	2.4
231.06471	2.5
240.04202	0.5
241.04913	0.9
242.05722	1.7
243.06560	2.7
245.08105	1.0
255.06496	2.1
256.03683	0.7
257.04449	3.0
257.08099	1.1
258.05212	6.0
259.06015	4.1
261.03952	0.9
270.05453	0.5
271.06055	5.7
272.06668	0.5
273.07581	4.9
283.06049	2.3
285.04288	0.5
285.07516	2.4
286.04712	1.1
287.05475	4.2
297.07562	1.0
299.05548	3.0
300.06247	1.0
301.07040	23.2
311.05447	0.6
313.06757	0.9
315.04974	10.6
315.08478	0.5
316.05716	3.9
327.04980	5.5
328.05627	0.8
329.06500	9.4
330.07300	3.8
331.08221	2.7
341.06635	4.7
357.05994	4.6
367.08066	1.8
371.07578	1.6
385.09027	2.4
415.08017	0.5
489.11536	3.7
491.09464	0.9
506.12070	1.2
509.14532	2.7
521.14386	9.6
528.60925	0.4
539.15466	100.0
540.15833	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	539.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01878	3.6
55.05500	3.9
55.37794	1.8
57.03428	2.2
61.02917	2.7
63.13357	1.8
65.03934	4.1
67.05520	2.9
69.03431	4.0
69.07063	3.2
70.06583	2.1
71.04999	3.1
71.58067	2.2
72.08151	1.9
79.05499	9.4
81.03425	2.5
81.07061	7.4
81.58423	1.9
83.04982	2.1
84.04482	3.2
84.08128	2.8
85.02895	6.6
86.09704	4.1
86.10206	1.7
91.05478	18.7
93.03374	2.8
93.07037	8.0
95.04960	8.0
95.08589	3.7
97.02908	2.9
100.07638	1.8
100.11255	2.4
103.05428	8.4
105.07029	7.5
106.04160	6.5
107.04967	7.1
107.08601	2.2
109.02874	3.6
109.06495	1.9
112.05453	2.0
117.71478	1.7
119.04922	6.0
120.04448	3.7
121.02865	1.9
121.06487	11.0
121.10157	2.5
122.03587	2.0
123.04430	5.4
131.04950	18.3
132.05725	12.2
133.02859	2.1
133.06464	4.1
134.03627	2.3
135.04398	4.9
135.08061	2.2
136.06190	5.9
137.05978	10.4
139.03862	2.9
140.04689	1.8
147.04369	4.6
147.07948	1.7
148.05190	3.8
149.02312	2.8
149.05962	15.1
151.07510	5.8
152.05699	2.4
153.01836	21.2
153.09041	2.1
154.06227	4.6
159.04480	2.5
160.05185	6.1
161.05977	10.2
163.03955	4.0
163.07608	4.2
165.05453	19.0
166.06322	2.2
167.07036	39.6
170.15405	4.2
176.34975	1.8
177.01823	4.0
177.05489	20.7
179.07027	14.6
180.07799	45.4
181.08601	7.1
182.09373	9.8
182.15387	3.5
191.07021	25.6
192.07802	27.2
193.08617	5.9
197.13206	1.8
198.14784	4.2
199.03966	2.2
207.02898	4.0
209.08107	18.6
210.08896	9.1
223.02377	2.9
226.14449	2.1
227.03435	7.6
233.05925	2.3
239.03395	4.0
255.02885	29.7
257.04480	3.0
269.04453	2.1
273.03961	7.3
283.02359	100.0
284.02707	3.7
285.04004	8.4
299.05209	2.0
301.03342	5.4
311.01892	38.4
313.03397	65.0
314.03592	2.0
325.03256	2.4
329.02997	2.8
367.04425	2.4
411.05026	3.2
424.31683	2.0
461.08984	1.8
463.09647	2.0
471.07098	6.5
489.08179	8.3
491.09689	66.6
503.09708	24.5
509.10687	19.7
521.10706	18.9
539.12280	14.8
539.28876	9.0
539.41229	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1182
Annotation	Yunnaneic acid C
Peak:m/z	Relative Intensity
51.02355	0.8
53.03917	1.3
55.01855	2.0
55.05507	4.2
55.05710	0.9
57.03405	1.4
65.03936	1.8
67.01846	1.4
67.05470	2.5
68.99764	1.4
69.03407	1.6
69.07027	1.7
70.06578	1.1
71.03784	1.2
78.04667	1.5
79.05489	5.0
81.03361	1.4
81.07053	4.7
81.26483	0.8
82.18530	0.7
83.04959	1.9
83.08585	3.5
84.04445	1.2
84.08107	1.8
85.02864	1.1
89.03899	1.6
91.05477	14.9
93.03349	1.2
93.07043	5.6
95.04960	6.6
95.08568	1.4
97.02876	1.6
97.06489	2.1
97.73575	0.9
100.07588	1.6
100.11263	5.4
101.80441	0.7
103.05460	7.3
104.06216	1.6
105.07005	4.6
106.04124	1.4
107.04957	7.4
107.08519	1.8
109.06438	2.3
109.10091	2.2
111.04379	2.5
115.05416	1.3
118.04148	1.1
119.04932	4.7
119.08509	2.0
121.02807	2.6
121.06524	7.9
121.10086	2.1
123.04386	3.4
123.08029	0.9
127.03864	0.8
128.07021	2.0
130.04123	1.2
131.04941	11.6
131.08449	0.9
132.05716	8.1
133.02779	2.5
133.06465	4.5
135.04362	3.5
135.07945	0.9
136.05124	1.3
136.06125	1.8
137.05196	0.7
137.05968	8.3
139.03876	0.9
139.07466	0.9
145.02829	1.1
146.03537	0.9
147.04358	3.2
147.07942	0.7
148.05061	1.1
149.02269	2.7
149.05974	7.8
149.13254	5.5
151.03854	1.6
151.07442	2.5
153.01816	21.8
153.05421	1.0
154.06181	2.2
159.04312	2.4
159.07974	0.8
160.05118	2.6
161.02303	1.3
161.05972	4.1
163.03926	3.7
163.07509	1.1
164.04677	1.1
165.05469	14.2
167.07037	23.9
171.04358	1.6
176.04590	1.5
177.01836	2.1
177.05464	12.6
179.03300	1.0
179.07011	8.3
180.07803	25.8
181.08478	2.7
182.09344	3.8
182.15405	4.5
184.16861	3.2
187.03859	1.1
189.01735	1.7
189.05493	1.0
191.07033	8.6
192.07803	11.4
193.08575	1.9
195.06477	1.9
197.08081	1.6
203.03345	1.6
207.02820	1.6
209.08080	5.0
210.08827	2.6
210.14882	4.9
211.15181	1.0
215.03322	1.5
217.04883	3.4
223.02203	2.3
227.03384	7.2
228.15858	1.6
229.04884	3.6
239.03296	3.4
245.04370	2.6
253.04636	1.1
255.02881	35.7
257.04245	2.2
266.21118	2.3
269.04276	0.9
273.03906	5.9
281.04395	1.7
283.02353	100.0
284.02762	2.9
285.03967	8.6
294.20547	4.2
295.02145	0.9
295.20834	1.1
299.05530	0.9
301.03271	5.8
301.06894	2.5
309.03555	2.4
309.07080	1.0
311.01880	22.4
311.05295	1.3
312.02539	1.2
313.03400	48.0
323.08771	0.9
325.03317	2.6
327.04852	2.4
329.02841	1.5
337.03122	1.7
337.20966	2.7
339.04803	1.8
355.21893	1.4
357.05878	1.6
365.06290	0.9
367.04034	1.5
367.08182	2.0
373.18262	1.5
377.22745	1.5
393.30862	1.1
411.04730	1.0
415.08075	1.1
428.05081	1.0
443.07288	1.8
463.10077	1.5
471.06601	1.4
475.09778	2.7
479.08969	1.0
488.07193	1.0
491.09702	37.6
493.11179	6.4
503.09692	17.1
507.08807	2.8
509.10364	1.8
511.12027	1.3
520.36969	3.1
521.10791	61.8
521.36877	1.8
522.10669	2.1
538.38745	4.8
539.11499	45.9
539.27637	3.6
539.38757	1.9
540.11792	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
54.37946	0.8
55.01871	1.7
55.05502	1.6
69.03416	2.4
69.26709	7.6
69.27120	2.3
70.06597	4.2
72.08154	0.8
76.02222	1.1
79.05503	4.9
81.07049	2.7
84.04499	1.1
84.08142	2.1
85.02908	5.5
85.07659	1.0
86.09698	2.5
87.27505	0.8
91.05468	5.4
93.07042	8.0
94.04172	1.8
95.04964	3.1
97.02903	1.4
100.11150	1.1
103.05489	1.8
105.07033	7.2
107.04957	1.8
107.08596	4.7
109.02865	0.8
109.06548	2.0
111.76731	0.8
115.05457	2.4
117.07011	1.8
119.04962	1.2
119.08585	2.1
120.08095	1.1
121.06500	3.2
121.10145	3.2
122.02784	1.9
122.03645	4.7
128.06165	1.1
129.07007	1.6
131.04935	1.4
131.08537	1.1
132.05669	1.7
133.06480	4.2
136.06134	1.0
137.05983	100.0
141.01846	0.9
145.06479	3.7
146.96925	0.8
147.04398	2.6
147.08049	3.3
149.05983	5.1
149.09625	8.9
150.09157	1.2
155.04965	0.9
159.08072	2.4
160.05278	1.7
161.05986	16.6
162.06747	2.4
163.07423	1.0
171.07936	0.9
173.06033	1.5
175.07553	25.7
179.07028	0.9
185.06017	1.3
187.07542	7.3
190.07774	1.3
191.08557	5.5
193.08633	4.3
199.07568	2.5
199.55307	0.9
202.07848	0.9
203.08601	2.3
205.08568	3.1
218.07300	1.3
219.08063	8.3
231.08051	3.6
236.08344	1.6
247.07495	4.0
248.08293	2.1
251.10704	11.3
259.07547	1.5
260.08264	1.0
263.10739	1.5
276.07971	1.2
277.08807	0.9
279.10101	9.4
291.10065	3.9
292.10651	1.1
294.15158	0.8
309.11057	1.2
311.09210	1.1
311.12796	22.6
323.12839	6.4
329.13797	3.5
341.13831	6.8
356.72028	0.9
362.16232	1.6
388.17685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	38.6
57.03441	21.8
57.07078	68.0
67.05502	99.6
69.07080	29.9
69.32861	9.9
69.39109	64.5
69.39529	37.6
71.08627	48.0
77.54236	9.5
79.05496	94.7
80.04762	9.5
81.03405	12.7
81.07046	91.6
81.80173	10.7
83.04989	33.2
83.08619	28.2
85.10204	30.0
91.05482	87.7
93.07044	100.0
95.04971	30.5
95.08613	59.4
97.10142	14.1
103.15311	12.0
105.07027	45.1
107.08626	19.1
109.10188	17.4
111.04433	12.1
117.07006	13.7
119.08599	28.6
129.07059	17.3
131.08598	13.6
143.08569	11.4
145.10049	11.9
147.11713	49.0
161.13293	17.3
171.11745	41.1
189.12694	18.0
207.13815	26.2
264.04810	13.6
281.17517	82.9
313.27356	52.2
360.37201	10.7
519.40649	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	537.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.7
55.62893	9.9
57.03431	13.9
57.07067	27.7
57.50776	9.5
58.55619	9.2
67.05505	44.1
69.39083	100.0
69.51949	9.0
71.08625	22.8
79.05492	49.2
81.07056	55.0
83.04946	12.8
83.08640	15.1
83.34916	10.2
85.10171	28.5
91.05475	39.8
93.07037	66.9
95.04951	24.6
95.08601	39.2
98.57267	9.3
105.07037	26.5
119.08566	20.7
142.63548	11.0
147.11678	40.5
161.13234	14.2
171.11699	27.0
189.12744	10.8
207.13701	18.4
222.29813	10.0
223.06059	10.9
251.28046	11.4
281.17581	51.7
313.27356	60.4
519.40570	76.7
544.61804	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	537.3034
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
55.05511	0.5
57.03428	0.5
67.05493	1.6
68.09550	0.4
69.07047	0.7
71.59090	1.0
77.00942	0.4
79.05492	0.8
81.03382	0.5
81.07040	1.1
83.08687	0.4
93.07054	1.0
95.04974	0.5
95.08597	0.8
97.10181	0.5
107.08601	0.5
109.10134	1.1
115.89475	0.4
118.41666	0.5
119.08573	1.2
131.08626	0.6
188.59056	0.4
210.85867	0.5
234.77179	0.5
273.18472	0.6
301.20334	0.5
347.47055	0.4
462.55777	0.5
537.30292	100.0
538.30609	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	537.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58151	1.0
53.03944	1.3
55.01867	2.3
55.05502	3.7
55.16980	1.1
56.51244	1.1
57.03444	1.4
58.03374	1.2
59.04226	1.0
61.02916	1.2
67.05505	5.2
69.03425	4.3
69.07061	2.4
69.42677	1.9
69.43094	10.0
69.90524	1.1
70.06590	4.9
72.08156	1.1
78.04720	1.3
79.05486	4.2
80.41474	1.1
81.03411	3.3
81.07075	5.8
83.04991	1.6
83.08629	2.0
84.04500	2.1
84.08147	5.7
85.02898	5.4
86.09708	3.6
89.03915	14.1
91.05461	6.8
93.07050	5.4
95.04972	3.4
95.08588	3.2
97.02898	1.7
98.21508	2.2
99.04480	1.1
103.05466	3.4
105.07024	4.1
107.05000	2.6
107.08588	2.8
108.89716	1.0
109.02887	1.3
109.06523	2.1
109.10168	3.7
111.04436	1.8
117.03379	29.8
117.07011	1.4
119.08572	3.2
120.08122	1.3
121.06526	2.0
121.10141	4.3
122.03679	1.7
123.04476	1.9
127.03933	2.6
129.07008	3.9
131.04959	4.8
131.08549	3.8
133.10129	2.4
134.03645	3.8
135.04408	3.7
135.08121	1.5
136.06166	2.0
137.05980	14.9
141.06992	2.2
145.02852	63.7
145.10173	1.2
147.04387	3.9
148.75464	1.1
149.05984	9.8
149.09631	2.5
149.13266	1.6
151.07536	4.0
157.06470	1.5
158.07297	2.0
159.08070	2.7
163.03900	1.7
163.07549	4.0
167.05710	1.4
167.07047	4.6
169.06502	1.5
173.13272	1.5
174.06732	5.1
175.07561	3.4
177.05475	100.0
179.07047	1.2
186.05431	1.7
187.07510	1.9
189.09106	8.8
191.07100	1.1
201.09103	4.1
219.10168	34.2
325.14240	2.1
350.15891	1.3
365.19040	1.3
519.12653	1.8
537.20728	1.4
537.28442	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1601
Annotation	Chrysosplenoside E
Peak:m/z	Relative Intensity
53.03953	0.3
57.03407	0.6
57.35879	0.3
61.02901	0.7
64.00823	0.3
69.03425	1.4
69.92683	1.7
78.04707	0.4
81.03431	0.7
85.02913	2.4
85.41646	0.3
87.04477	0.3
92.02608	0.4
96.81850	0.3
97.02886	0.7
98.21437	0.4
106.04135	0.5
120.02075	1.1
121.02873	0.5
123.04470	0.5
137.02336	0.6
138.03139	0.7
139.03870	0.9
148.01570	0.4
151.03880	0.6
152.04668	1.1
153.01866	0.4
154.06271	0.5
164.04848	0.3
165.01845	3.0
165.05432	0.6
166.02621	2.2
167.03384	2.3
179.03415	0.9
180.04176	3.9
181.04953	29.7
184.03725	2.0
209.00792	0.7
219.06523	0.3
221.08008	0.3
224.03146	1.3
227.07072	0.3
229.04990	0.6
237.07611	0.4
239.03429	0.5
243.06517	0.5
245.79294	0.3
247.06061	0.6
255.06549	0.7
257.04526	0.4
269.04449	0.3
271.06226	0.6
272.06790	0.5
273.07635	0.3
274.04770	0.6
283.05966	2.3
284.06790	1.0
285.03839	0.5
285.07361	0.6
287.09299	0.9
289.07040	1.2
299.02274	0.4
299.05310	1.5
300.06290	0.5
302.04239	0.4
309.11926	0.4
311.05560	1.4
312.06171	0.5
313.03384	0.9
314.00635	0.4
314.04163	1.9
315.08554	3.1
317.06473	3.1
325.07111	0.5
327.04941	1.9
328.05771	4.3
329.06586	4.1
331.08157	3.3
332.08853	0.9
343.08124	15.3
344.08435	0.5
345.06174	1.0
359.07562	1.0
360.08377	17.9
375.10727	100.0
376.11203	2.3
524.97424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.6
55.01840	0.7
55.05497	0.6
57.09754	0.3
60.08132	0.7
65.03915	0.4
67.05508	1.6
69.07050	0.5
70.19041	1.2
71.04940	0.3
77.99874	0.2
78.04680	0.7
79.05500	1.4
81.03382	0.4
81.07016	1.2
83.04926	0.5
83.08591	0.3
86.09705	3.4
89.03877	0.3
91.05469	2.5
93.06986	1.0
95.04927	1.0
95.08578	0.5
97.06461	0.3
97.10140	0.5
98.98402	0.5
102.04649	0.3
103.05445	1.9
104.06234	0.4
104.10691	0.5
105.03333	0.4
105.06977	1.0
106.04128	0.5
107.04944	1.5
107.08544	0.5
109.05213	0.3
109.06479	0.6
109.10129	0.6
111.04437	0.5
115.05449	0.4
117.03360	0.3
117.06999	0.4
118.04129	0.8
119.04961	0.6
119.08562	0.6
121.02875	0.4
121.06509	1.7
123.04377	1.2
123.08015	0.3
124.05174	0.5
125.00013	2.0
125.02305	1.3
125.09516	0.4
130.04117	0.5
131.04939	3.6
132.05699	2.8
133.02765	0.4
133.06436	1.0
133.10094	0.4
134.03586	0.4
135.04370	0.8
137.05920	1.1
139.03789	0.3
140.04642	0.6
145.02821	0.6
146.03586	1.0
147.04391	1.5
148.05101	0.7
149.02325	0.3
149.05975	1.6
151.03879	0.9
152.04617	0.5
152.08234	0.3
153.05438	0.8
154.06201	1.0
155.04843	0.5
159.11601	0.4
160.05183	1.7
161.05946	1.2
163.03886	0.7
163.07553	0.4
165.05479	0.8
166.06229	0.6
167.03395	5.7
167.05650	0.6
167.07045	12.8
173.02333	1.5
175.03865	0.6
176.04616	0.8
177.05458	1.8
178.06252	1.1
179.06984	0.5
180.07790	1.4
181.08549	0.5
182.09409	1.6
183.04437	0.4
184.07339	8.5
185.04401	0.5
185.07629	1.0
187.03888	0.6
187.07500	0.3
191.03362	0.3
191.07095	1.6
192.07805	2.9
193.08524	0.3
195.02917	0.3
195.51009	0.3
197.05920	0.4
199.03920	0.4
200.04593	0.9
201.01805	0.7
203.03398	4.2
210.08749	0.5
211.03935	0.4
213.05585	0.4
215.07005	2.5
222.27484	0.3
227.07043	0.7
228.04108	1.6
229.04933	0.4
233.06149	0.3
239.03375	0.3
241.05046	0.5
243.06517	9.3
244.06891	0.4
249.05273	0.4
253.04955	0.8
255.06564	1.1
256.03644	4.8
256.06342	0.4
256.07312	0.4
257.04349	0.7
265.04895	0.4
267.06479	0.6
269.04382	0.4
271.06018	15.0
272.06461	0.7
273.18591	0.3
279.06433	0.4
281.04489	0.4
283.05896	2.6
284.03125	2.8
284.06219	0.5
285.03900	0.4
291.19397	0.3
295.06036	0.7
297.04126	0.6
297.07364	0.5
298.04700	0.6
299.05490	39.5
300.06183	3.0
301.07013	0.4
310.04782	0.7
311.05548	1.1
312.06250	1.0
313.07019	0.9
325.03589	0.4
325.07123	0.6
326.04092	1.1
326.07690	0.3
327.04999	8.4
328.05768	4.5
329.06543	2.9
337.06668	0.7
339.04861	1.6
341.06561	1.6
353.06512	0.8
359.09192	0.3
369.06119	0.7
383.07639	0.6
393.09784	0.6
427.08072	0.3
444.08493	0.3
457.09116	0.4
461.08487	0.6
473.08429	0.4
475.10538	0.4
489.08392	0.7
503.09375	0.4
507.12607	2.0
519.12811	4.4
537.13916	100.0
538.14148	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
55.01843	0.6
55.05499	1.1
57.03430	0.7
61.02903	0.6
67.03767	0.6
67.05501	1.8
68.06406	0.6
68.99796	0.6
69.03407	1.4
69.07053	0.8
70.06593	1.5
71.04986	0.6
71.58307	0.8
71.58659	0.7
73.02877	0.9
79.05484	3.0
81.03401	1.3
81.07061	1.7
82.06614	0.6
83.04952	1.0
84.08134	0.9
85.02887	1.4
86.09713	1.1
89.03930	0.7
91.05477	2.4
93.07035	5.5
95.04942	1.6
95.08604	1.4
97.02864	1.0
101.34807	0.6
103.05466	1.8
105.07020	2.0
107.04957	1.8
107.08589	1.8
109.06490	0.7
109.10129	0.9
111.04441	1.2
115.05447	1.0
117.03374	1.8
117.06991	1.3
119.04980	0.8
119.08507	1.0
121.06554	1.2
121.10147	4.7
122.76433	0.6
123.04423	1.3
128.06186	0.7
129.06979	1.0
131.04922	2.5
131.08583	1.5
132.05687	1.1
133.02850	0.8
133.10164	0.9
134.03632	0.7
135.04419	0.7
136.06209	1.4
137.05969	4.6
138.05527	0.7
145.02864	2.3
145.10063	1.0
147.04393	1.2
147.11714	0.9
149.05969	2.2
149.09624	2.7
149.13196	0.6
153.01953	0.5
161.05951	1.1
163.03899	0.7
163.07571	0.7
167.03410	2.0
167.05620	0.9
167.07007	5.6
177.05475	4.8
180.07761	1.2
180.76857	0.6
181.08705	0.7
189.05389	0.6
191.07034	1.4
192.07881	1.1
195.42967	0.6
200.04663	3.3
201.05516	0.7
217.05013	0.6
221.53601	0.6
225.05516	0.9
226.06288	0.6
228.04221	5.9
241.05020	0.9
243.06500	4.4
253.05093	0.6
256.03674	5.3
265.04929	0.9
269.04413	1.3
271.06006	19.0
281.04568	1.4
283.05991	1.9
284.03146	19.5
285.03723	1.3
297.03922	1.2
298.04651	1.1
299.05493	57.2
300.06223	1.8
309.04016	0.9
311.05414	0.7
313.03500	2.3
313.06882	0.8
314.04141	1.8
315.04999	1.0
322.31549	0.7
327.04993	8.2
328.05753	4.0
329.06534	3.7
339.04953	1.4
341.06561	1.1
343.09201	0.7
396.41614	0.7
461.08823	0.7
503.08875	0.7
504.10416	0.9
507.13049	1.0
518.54797	0.8
519.12610	2.4
537.13922	100.0
538.14270	1.9
542.93323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05493	1.0
57.03435	0.6
58.70720	0.4
60.08147	0.5
65.03948	0.4
66.72845	0.4
67.01837	0.6
67.05501	2.6
69.03423	0.6
69.07088	1.0
69.31646	0.4
70.65463	1.3
71.07406	0.4
73.67059	0.3
76.35117	0.4
78.04710	0.7
79.05475	2.4
81.03401	0.6
81.07050	2.7
83.04955	0.5
86.09693	2.8
89.03921	0.5
91.05453	3.4
93.07040	2.0
95.04954	1.9
95.08610	1.0
96.75317	0.4
99.04453	0.7
100.31400	0.4
102.04687	0.7
103.05450	3.0
104.10727	4.5
105.07004	2.3
105.11043	0.6
106.04137	0.7
107.04979	1.9
107.08567	1.3
109.06514	1.6
109.10157	1.2
111.04439	0.9
115.05460	0.6
117.07005	0.9
118.04151	1.4
119.04948	1.3
119.08589	0.6
121.06462	2.1
123.04403	1.9
124.05201	0.7
125.00012	1.5
125.02337	1.3
129.06976	0.6
130.04163	0.9
131.04918	7.1
131.08559	1.1
132.05688	5.1
133.02834	0.7
133.06477	1.2
133.10095	0.4
134.03583	0.8
135.04366	0.7
137.05968	1.5
145.06456	0.5
145.10126	1.0
146.03648	1.2
147.04422	1.9
147.11658	0.5
148.05190	1.0
149.05974	1.7
151.03925	0.8
153.05589	0.5
153.07024	0.5
157.10165	0.5
160.05177	2.4
161.05959	1.2
163.03938	0.9
163.07547	0.5
165.05490	0.7
167.03391	10.4
167.04738	0.6
167.07030	10.9
173.02371	1.4
175.03954	0.8
176.04697	1.1
177.05484	4.6
178.06299	1.6
181.08649	0.7
181.10216	0.4
183.04515	0.6
184.07346	4.8
185.07671	0.8
186.03123	0.4
187.03960	0.8
187.07454	0.7
191.07031	2.3
192.07808	5.8
197.13374	0.5
200.04683	1.0
201.01779	0.8
202.02446	0.5
203.03412	5.4
215.03554	0.4
215.06982	2.5
227.03683	0.4
228.04230	1.7
239.06927	0.5
241.04944	1.0
243.06529	9.4
243.08961	0.6
251.07010	0.5
253.05002	0.9
255.02831	0.4
255.06596	1.0
256.03687	5.6
256.06366	0.7
256.07306	0.6
257.04498	1.3
263.07098	0.7
266.05859	0.5
268.03635	0.7
269.04529	0.6
270.05249	0.5
271.03070	0.7
271.06003	15.4
272.06754	1.1
273.07654	0.4
273.18634	0.5
281.04544	0.8
281.08148	0.5
282.05347	0.9
283.05948	3.5
284.03278	3.8
284.06470	0.8
285.07376	0.6
295.05988	1.5
297.04178	0.9
297.07486	0.8
299.05478	40.9
300.06030	3.8
301.07135	1.0
305.07587	0.4
310.04764	1.0
311.05457	1.3
312.06351	1.5
313.07013	0.9
319.05963	0.4
325.07120	1.0
326.04156	1.0
327.04971	12.1
327.08704	0.8
328.05759	5.3
329.06528	4.2
337.07031	1.1
339.05289	1.0
341.06567	1.9
369.06287	1.7
383.07480	2.2
393.09387	0.6
458.10440	0.5
489.08328	0.8
503.08881	0.5
507.12869	1.6
519.12793	13.6
537.13910	100.0
537.29944	2.9
538.14276	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	537.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98133	0.5
55.47843	0.5
57.03439	0.7
67.05509	1.3
68.62636	0.6
69.03429	2.6
69.47440	4.6
70.06578	0.5
72.58502	0.7
73.32624	0.6
79.05482	1.0
81.03420	0.8
81.07053	1.5
83.04983	1.3
86.09717	2.0
91.05489	0.7
93.07045	1.3
95.04980	0.6
95.08626	0.9
99.04461	1.0
103.05453	1.0
105.07057	0.8
107.04951	1.2
107.08576	0.7
111.04454	1.4
112.05114	2.5
115.05433	0.8
121.10185	0.6
123.04451	0.8
124.99998	1.4
125.02364	7.1
131.04939	2.1
133.32118	0.6
147.04422	0.8
151.03882	0.7
156.04391	0.6
159.04482	0.7
163.03973	0.8
165.06950	0.6
167.03433	7.4
167.07068	3.7
171.04379	0.8
177.05426	0.8
179.08537	0.7
181.04951	0.9
184.07382	3.9
185.07706	1.2
186.07910	1.2
187.03947	0.7
189.05531	0.7
191.07076	3.5
192.07797	1.6
202.07898	0.6
205.06586	1.0
213.05498	0.7
215.07101	0.6
218.07265	0.6
219.08130	1.6
221.05977	1.0
223.07632	1.8
227.03328	0.9
227.24808	0.7
231.08124	1.4
233.06113	0.9
234.06747	1.3
235.07567	1.3
237.05511	1.5
239.03374	0.6
247.07645	2.3
248.08234	0.9
249.09251	1.0
250.06364	1.1
251.07059	2.2
259.07498	1.1
261.05591	1.5
262.06268	2.8
262.62640	0.7
263.07019	1.4
264.07745	1.0
265.05154	0.9
265.08432	1.0
267.06680	1.0
273.05557	1.0
274.06226	1.0
275.07135	2.3
276.07806	1.2
277.05164	1.2
277.08572	2.2
278.05795	1.1
279.06485	4.3
281.04547	0.7
281.08115	0.7
285.07599	0.8
287.06985	1.4
289.04929	1.4
289.08554	0.7
290.05667	1.7
291.06488	2.1
293.04721	0.7
293.08041	1.0
295.06049	1.1
299.05914	1.4
299.09198	0.7
300.06506	0.6
300.09869	1.8
302.05844	1.2
303.06509	1.7
304.07297	1.4
305.04636	1.0
305.08127	1.8
307.06052	2.6
308.06726	0.8
315.06479	0.9
317.08026	0.7
318.05209	1.7
319.05933	2.1
321.07635	1.6
322.08334	0.8
325.07443	0.8
327.06412	0.7
329.07840	0.7
331.06067	0.7
331.09808	0.9
332.06873	0.8
333.07532	2.5
335.05475	1.6
337.07010	1.0
341.07028	0.9
342.08847	0.7
343.05927	0.7
343.09641	1.0
347.05359	0.8
349.07104	2.6
350.07919	0.9
359.09213	1.0
361.07086	3.2
363.05002	2.4
365.06247	1.4
365.10513	3.1
371.09262	0.9
374.07730	1.0
378.07370	1.5
379.08188	0.8
381.09738	6.3
387.08594	1.4
388.09378	0.7
393.09647	15.2
399.08859	0.8
401.10248	2.3
405.09488	1.5
411.08487	0.7
413.10712	0.7
415.07968	1.2
417.09833	0.7
427.07874	0.7
429.09985	1.5
431.11331	1.1
433.09222	2.1
443.07706	1.0
445.09177	0.8
450.94489	0.6
457.08813	1.1
458.09827	1.2
459.10583	1.8
461.08655	2.2
473.08728	1.8
474.09454	1.4
475.10538	1.6
476.11072	0.9
486.09180	1.1
487.10364	2.2
489.08130	7.9
491.13455	1.8
492.10315	1.2
503.09726	2.6
504.10553	4.3
507.12894	33.7
508.13364	0.7
519.12891	100.0
520.13287	2.5
537.13977	41.2
538.14313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
56.05036	0.6
57.03438	0.7
58.06599	0.5
60.07919	0.6
60.08162	5.6
61.65141	0.5
67.05487	1.6
69.07056	0.8
69.32035	4.8
71.07375	3.2
71.08618	1.1
75.98550	0.4
79.05487	1.3
81.07064	2.4
83.04953	0.7
84.53947	0.4
85.34271	0.5
86.09706	29.2
91.05467	0.8
93.07032	2.2
95.04962	0.7
95.08583	1.1
97.10182	0.5
98.98474	2.8
99.08095	0.7
104.10724	4.1
105.07015	0.9
107.08587	1.0
109.10136	0.6
119.08602	0.6
121.10186	0.6
125.00007	20.2
133.10115	0.6
163.11075	0.6
167.05467	0.5
179.14308	1.5
184.07343	100.0
185.07518	0.8
210.27211	0.5
277.21600	1.1
299.06192	1.0
334.30630	0.5
351.25146	2.5
500.31543	0.6
518.32526	3.4
536.29047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96769	0.5
55.01860	0.5
55.05502	1.3
57.03422	0.7
66.29784	0.5
66.68975	0.5
66.69597	0.4
67.05480	0.8
68.99793	0.8
69.03436	0.6
69.07079	0.7
70.06568	0.8
71.58084	0.7
79.05482	1.4
81.03416	0.7
81.07043	0.8
81.94444	0.5
83.04971	2.2
84.08136	0.7
85.02895	0.9
86.09698	0.9
91.05480	1.8
93.07040	1.8
95.04972	1.3
96.19598	0.5
97.02887	1.0
103.05449	2.3
105.07005	1.4
107.04963	0.8
111.04431	1.7
118.04146	1.3
119.04968	0.9
119.08585	1.1
121.06512	1.3
121.10147	1.4
123.04440	1.6
130.04129	0.6
131.04948	3.4
132.05701	1.7
133.02922	0.6
135.04430	0.7
136.06216	1.3
137.02325	0.6
137.06001	2.0
140.04733	0.7
143.08539	0.6
145.02853	0.5
145.06453	0.6
146.03561	0.7
147.04453	1.0
149.05936	0.9
151.03915	0.6
153.01889	0.6
155.04900	0.8
157.90257	0.5
160.05223	1.2
161.05988	0.8
163.03792	0.8
167.03404	4.1
167.07004	4.0
169.06567	0.5
173.06000	0.6
175.11223	0.5
176.04727	1.2
177.05489	1.8
178.02623	0.8
180.07761	0.7
183.04346	0.6
187.07562	0.7
191.03450	1.3
191.07054	1.8
192.07780	2.6
197.06081	0.9
200.04727	1.9
201.05402	0.6
203.03349	0.5
212.04642	0.5
215.07133	0.9
225.05539	1.3
227.07141	0.7
228.04195	4.3
229.04997	1.0
235.40114	0.5
237.05515	1.1
241.04936	1.3
243.06464	2.7
253.05038	0.7
254.05833	0.7
256.03674	3.8
265.04965	1.6
269.04520	1.5
271.06000	14.4
281.04501	1.2
282.05182	0.9
283.05994	2.8
284.03156	12.9
284.06393	0.8
285.04111	1.4
286.04718	0.6
295.06030	2.3
297.04120	1.4
298.04721	1.0
299.05493	41.2
300.06183	1.6
309.03894	0.7
310.04733	0.5
311.05600	0.7
312.02820	1.0
312.06290	1.8
313.03452	4.2
313.07123	1.8
314.04245	2.2
315.05197	0.9
325.07187	0.6
327.04968	12.5
328.05716	8.9
329.06534	7.1
339.05139	0.8
341.06616	1.1
369.06076	1.0
461.08673	1.1
475.10257	0.7
489.08234	1.9
503.09631	1.4
504.10477	0.6
507.12897	2.7
519.12946	10.6
537.13934	100.0
538.14349	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	536.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24848	1.7
52.43020	1.7
53.90705	2.1
55.01865	3.7
55.05501	7.4
56.05026	2.9
58.99580	16.1
62.23632	1.9
67.05513	9.1
68.09563	1.8
69.03432	3.8
69.07063	3.2
69.75597	12.1
70.06585	7.0
72.08133	4.0
74.00641	2.3
76.02227	100.0
76.03992	5.2
79.05485	7.1
81.03418	24.7
81.07050	7.8
81.84860	1.8
83.04963	7.0
83.08607	8.7
84.04505	24.4
84.08134	5.9
85.02898	3.8
86.09686	6.2
86.15110	2.0
86.99062	5.2
87.09925	1.9
88.02197	2.8
91.05467	8.9
93.07029	3.8
95.04966	7.8
95.08620	2.5
97.02879	4.3
97.06519	2.0
98.20785	1.9
105.07021	6.5
107.04923	1.9
107.08611	2.7
109.06496	2.7
111.08092	4.4
112.03989	2.1
116.01691	23.4
119.08585	4.9
120.08086	3.0
121.10129	3.9
129.07030	2.2
130.05005	16.5
131.08601	3.0
133.10120	3.7
137.05960	6.0
142.03212	9.2
144.01147	15.1
147.04358	4.6
147.11647	3.3
157.10152	3.8
162.02193	44.7
165.05565	3.9
170.02759	4.0
175.11177	4.8
177.03288	5.9
179.04843	92.3
193.12204	18.8
211.13261	29.2
215.04910	3.4
232.83864	1.9
233.05899	25.5
233.33902	2.2
245.05757	3.0
287.08966	2.5
288.06232	2.3
288.09436	4.7
291.06464	3.2
308.09088	77.8
536.24091	2.8
539.64392	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.6
58.06623	0.5
60.08165	6.5
60.08472	0.3
67.05499	0.8
69.38423	1.1
69.38850	0.6
71.07368	3.0
78.52589	0.2
81.07060	0.5
86.09707	31.0
87.10028	0.2
89.92424	0.2
93.07021	0.2
95.08598	0.5
98.21524	0.3
98.98473	3.2
104.10751	3.1
125.00007	22.1
143.01064	0.4
177.95793	0.2
184.07341	100.0
185.07693	0.6
258.11081	0.2
333.28375	0.2
500.30994	0.7
518.32355	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	535.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35661	0.5
55.05489	0.7
67.05489	0.8
69.91101	3.1
79.05502	0.8
81.07018	0.7
91.05466	1.3
93.07043	1.7
95.04947	0.6
98.20716	0.6
105.07004	1.1
107.04916	1.4
132.12518	0.5
136.06114	0.7
136.64676	0.7
161.15419	0.5
184.07344	1.5
223.09410	3.6
305.23825	0.6
309.13165	1.6
330.77625	0.6
335.15048	0.7
349.12476	3.7
351.14163	8.9
351.20786	0.6
367.13635	9.0
369.15164	18.1
517.24103	3.1
535.25110	100.0
536.25385	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	535.251
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.7
69.07052	0.6
70.24809	2.9
77.36890	0.7
81.03387	0.7
81.07040	1.2
83.04982	0.7
85.02846	1.3
91.05441	0.7
105.07023	0.8
107.04969	1.0
119.08578	1.2
121.10157	0.9
144.87801	0.7
176.52660	0.7
182.89749	0.7
205.08344	11.0
207.09949	2.2
223.09409	2.1
279.62729	0.8
335.14627	17.5
351.14136	10.4
353.15701	16.2
473.25131	8.4
535.25085	100.0
536.25354	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
54.81212	1.9
55.01868	4.7
55.05508	11.6
57.03435	20.9
61.02927	3.7
65.03953	1.8
66.54691	1.5
67.05502	37.9
69.03423	7.3
69.07066	17.2
69.74167	1.8
70.01598	8.6
70.06590	4.5
71.01357	20.2
71.04989	6.9
72.08161	2.0
73.02917	26.3
75.04470	2.7
79.05060	2.5
79.05494	29.4
81.03403	5.0
81.07057	99.8
83.01337	4.1
83.04990	10.7
83.08610	7.3
85.02905	45.5
85.06543	6.7
91.05485	36.5
92.54889	1.6
93.07044	19.3
95.01330	18.9
95.04954	6.9
95.08594	24.6
97.02880	8.2
97.06524	10.0
98.21498	2.4
99.00808	5.8
99.08085	5.3
101.02390	7.0
103.03934	6.3
103.05460	4.0
105.07030	51.8
107.04964	3.2
107.08602	17.8
109.02808	2.4
109.06503	7.0
109.10143	2.6
111.08074	2.7
113.02373	17.0
119.08578	40.0
121.10149	23.6
123.04398	2.6
123.08031	3.8
123.11703	29.3
127.03872	1.9
127.07563	2.9
129.06979	4.4
131.03407	12.7
131.08496	2.3
133.06496	2.7
133.10124	6.4
136.06203	2.5
137.06018	5.3
137.13191	2.6
141.01808	28.6
145.10123	2.3
147.04396	6.7
147.07883	1.9
147.11690	100.0
149.09618	2.8
151.03973	2.0
151.07481	1.7
157.06480	1.6
157.10143	5.7
158.33882	2.0
159.02847	3.7
161.05948	2.6
163.07664	1.8
165.12755	62.6
167.06985	4.5
175.11142	5.0
177.05492	4.0
183.13802	16.4
193.12335	9.0
211.13368	4.6
215.05431	2.8
229.14360	31.5
233.06625	2.4
244.46924	1.6
267.15915	92.5
272.11218	1.8
281.44751	2.1
285.16977	72.6
287.05637	11.2
341.19540	15.1
359.20682	29.9
508.01550	1.8
517.22827	2.7
535.23608	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	535.1081
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03938	1.3
55.01866	1.3
55.05514	0.8
56.06575	0.5
57.03431	1.4
57.40172	0.7
61.02913	0.9
64.87032	0.5
67.05484	1.2
68.99776	1.2
69.03425	4.8
69.07059	0.7
69.46742	3.5
69.47160	1.2
70.06577	2.3
71.04971	1.6
72.08167	0.8
73.02913	1.3
79.05505	2.7
81.03035	0.6
81.03418	5.7
81.07043	1.9
84.08134	0.8
85.02899	8.8
86.09686	1.1
87.00831	5.1
87.04455	0.6
91.05457	1.8
93.07059	4.1
94.07382	1.3
95.04964	0.9
95.08604	0.8
97.02894	6.9
97.06513	1.5
99.04446	2.2
105.01859	2.1
105.07067	1.2
107.04966	0.8
107.08610	1.0
109.02876	4.1
109.10165	0.8
110.54028	0.5
111.00819	1.1
113.50468	0.5
114.10270	0.6
119.04967	0.6
119.08607	1.3
121.02882	2.9
121.10133	3.7
122.10459	1.2
123.11700	0.8
127.03898	5.3
132.04495	0.7
135.08044	0.9
137.02380	0.8
137.05983	1.7
145.02869	0.8
145.04916	1.6
147.04410	1.8
147.11655	0.8
149.09625	1.7
153.01839	4.6
159.02916	1.8
161.05884	0.6
163.03874	1.3
165.01854	2.2
167.07057	1.2
173.02350	0.6
177.05412	1.3
178.04990	5.4
179.05341	2.4
183.02855	1.3
189.05328	0.5
206.04494	9.4
207.04794	5.4
211.84436	0.5
213.05475	1.3
231.04698	0.6
231.06703	0.8
241.05098	0.6
258.05283	1.6
259.05774	0.5
259.09531	1.3
287.05496	100.0
288.05783	1.1
359.20331	0.9
389.12027	0.8
431.18973	2.3
535.21600	2.3
535.28308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1083
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.00339	0.1
53.03944	1.8
53.30901	0.1
54.29432	0.1
55.01869	1.6
57.03441	1.2
61.02921	0.9
68.99787	1.6
69.03429	6.5
69.61814	0.7
70.06586	0.1
71.04989	0.8
71.18014	0.1
73.02921	1.2
79.05456	0.2
81.03417	6.9
83.01344	0.1
85.02905	10.6
87.00828	5.4
87.04488	0.2
91.03954	0.3
95.04985	0.1
96.87610	0.1
97.02893	3.7
98.21513	0.2
99.04455	2.2
103.04005	0.1
105.01865	2.8
105.03373	0.3
107.04950	0.4
109.02879	6.7
111.00814	0.8
111.04418	0.1
117.01863	1.0
121.02866	2.6
121.06503	0.1
127.03918	8.7
129.01836	0.8
129.07016	0.2
133.02815	0.4
135.04417	0.3
137.02321	0.9
141.06879	0.2
145.04956	2.4
145.06265	0.2
145.06454	0.2
147.02913	0.6
147.04349	0.6
149.09171	0.2
153.01825	3.8
157.06445	0.6
159.02895	4.0
161.06000	0.2
163.03857	0.1
165.01851	1.9
165.05481	0.2
171.02992	0.1
171.04411	0.3
183.02924	1.0
185.06007	0.4
189.05460	0.2
203.07004	0.2
213.04059	0.1
213.05525	1.6
229.04956	0.2
231.04665	0.8
231.06718	0.4
241.04964	0.9
243.06541	0.1
258.05246	1.5
259.06027	0.4
269.04398	0.2
276.92471	0.1
287.05490	100.0
288.05786	1.1
311.05518	0.2
329.06561	0.4
513.74835	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1083
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03945	1.7
54.98512	0.2
55.01868	1.6
57.03432	1.0
61.02932	1.1
61.54051	0.2
67.01838	0.2
68.99790	1.4
69.03429	6.6
70.06583	0.4
70.14131	0.8
71.01342	0.2
71.04977	0.6
72.08128	0.2
73.02919	1.5
79.05484	0.3
81.03418	6.9
81.44893	0.2
83.01325	0.2
84.08145	0.4
85.02906	10.3
86.09682	0.4
87.00835	4.7
91.03937	0.4
95.04954	0.2
95.60446	0.2
97.02888	3.9
99.04455	2.2
105.01872	3.1
105.03371	0.4
107.04958	0.5
109.02883	5.9
111.00795	0.7
111.04440	0.3
117.01860	0.9
121.02865	2.3
127.03916	8.6
129.01834	0.8
133.02809	0.5
135.04428	0.2
137.02315	1.1
137.06009	0.3
137.85663	0.2
145.04965	2.3
145.06477	0.3
147.02892	0.7
147.04445	1.0
153.01831	4.7
157.06500	0.5
159.02885	3.6
161.05974	0.3
165.01848	1.8
167.07083	0.2
169.06586	0.2
171.04483	0.3
183.02919	0.7
185.05980	0.4
203.06932	0.2
213.05489	1.4
231.04948	0.7
231.06813	0.4
241.05038	0.8
258.05289	1.2
259.06015	0.6
269.04373	0.2
286.04739	0.3
287.05493	100.0
288.05734	0.8
329.06348	0.3
333.89221	0.2
377.01776	0.2
395.07758	0.2
409.72260	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	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	14.7
57.03426	10.9
60.08140	15.4
67.05502	62.7
69.07050	32.0
69.43629	69.3
71.07346	7.5
76.92238	6.9
79.05471	23.0
81.07054	100.0
83.08620	17.0
85.02946	8.2
86.09693	48.5
90.68239	6.7
91.05455	13.4
93.07045	28.1
95.04944	7.3
95.08616	66.0
97.06525	9.0
97.10147	11.1
98.20764	10.6
101.23996	6.7
103.65954	6.7
104.10730	83.8
105.07031	9.6
107.08572	16.7
107.28909	6.1
109.10135	28.5
121.10126	21.7
123.11680	9.4
125.00004	24.0
133.10083	15.5
135.11658	9.5
137.13206	9.8
147.11684	7.7
151.14854	6.9
161.13257	11.4
163.14711	8.0
175.14824	9.3
179.17940	7.3
184.07329	95.5
203.18202	7.4
245.22641	54.6
250.44423	7.3
263.23648	70.3
285.78455	8.1
337.27359	46.5
338.95947	7.6
383.86981	9.2
534.35327	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	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68169	4.3
53.03942	5.5
55.05511	31.7
57.03421	5.3
57.07064	8.3
60.08155	6.2
67.05504	97.3
67.10129	4.6
69.03424	22.2
69.07062	28.1
69.61683	10.1
69.62086	30.9
70.56516	4.9
75.11990	4.3
79.05493	30.4
81.03412	12.3
81.07061	100.0
83.04964	4.4
83.08594	22.8
85.02900	18.1
85.06520	4.4
86.09700	26.0
91.05489	23.9
93.07043	42.4
95.05001	5.1
95.08612	82.3
96.98628	4.5
97.02892	5.0
97.06514	5.3
97.10207	8.7
98.21501	6.5
99.04441	5.5
104.10751	27.8
105.07005	16.6
107.04947	5.1
107.08574	19.1
109.02884	4.7
109.10148	25.3
117.07020	6.5
119.08600	18.1
121.06509	6.6
121.10153	17.0
123.11718	8.4
124.99972	10.4
131.08527	5.3
133.10130	14.8
135.11684	8.6
137.13231	5.7
145.10098	7.2
147.11722	7.0
149.13188	7.1
151.14789	5.7
161.13336	7.2
163.14830	9.0
184.07298	35.4
189.16434	5.0
227.20096	7.5
243.21173	5.9
245.22563	15.1
261.22049	6.1
263.23697	23.8
291.20059	5.2
291.23154	9.2
353.24573	5.6
371.25729	24.9
389.26791	11.7
391.01349	5.0
407.27771	15.1
440.08276	5.4
463.26892	6.2
534.35107	6.4
535.22845	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	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
56.05021	1.1
58.06602	1.5
60.08160	17.2
62.97493	0.3
65.09198	0.4
67.05506	1.8
69.07062	0.6
71.07369	8.1
71.08617	1.4
71.58644	0.7
79.05499	1.6
81.03400	0.5
81.07063	1.9
81.07460	0.3
83.08614	0.4
86.09699	52.7
91.05477	1.5
93.07031	1.8
95.04948	0.6
95.08600	1.0
98.98473	4.8
99.08095	0.7
104.10736	100.0
105.07033	0.7
107.04945	0.5
107.08584	0.9
109.10109	0.5
119.08564	0.9
121.10151	0.6
124.99998	27.7
131.08621	0.5
133.10045	0.5
143.01039	0.6
151.11208	0.7
154.92519	0.3
179.14217	0.9
184.07329	91.2
185.07693	0.5
203.02164	0.4
228.56064	0.4
258.11081	1.1
516.30737	5.9
534.31927	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.1
55.05507	0.2
56.05037	0.6
58.06603	0.3
59.07400	0.1
60.08165	7.8
67.05501	0.4
69.07077	0.2
69.23816	1.8
70.06587	0.1
70.93862	0.1
71.07378	3.5
71.08601	0.1
79.05515	0.2
81.03427	0.2
81.07059	0.5
86.09705	34.0
87.10054	0.2
88.01904	0.1
90.95383	0.2
91.05495	0.2
93.07043	0.3
98.21509	0.3
98.98460	3.4
99.08121	0.1
104.10748	5.3
125.00006	23.7
139.52354	0.1
143.01064	0.5
184.07341	100.0
184.80325	0.2
185.07710	0.6
210.05431	0.1
239.39795	0.2
258.10983	0.2
336.42557	0.2
350.69305	0.2
426.71194	0.2
516.30780	0.9
534.31946	3.4
544.50476	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	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60735	0.1
55.05503	0.2
56.05029	0.7
57.03418	0.2
58.06635	0.5
59.07378	0.2
60.08161	6.6
67.05500	0.3
69.03428	0.1
69.07063	0.2
70.06579	0.2
71.07372	3.6
71.58505	0.1
79.05486	0.5
81.03394	0.1
81.07040	0.4
83.04980	0.1
84.08138	0.1
86.09700	34.3
87.09998	0.2
91.05487	0.4
93.07037	0.5
95.08602	0.2
98.98461	3.5
104.10737	3.6
105.07019	0.3
107.08585	0.2
109.10159	0.1
116.99522	0.2
119.08585	0.2
124.99996	23.2
131.08527	0.2
135.11626	0.1
143.01054	0.6
166.02620	0.1
184.07327	100.0
185.07664	0.4
196.52797	0.1
198.24940	0.1
258.11096	0.2
289.89291	0.1
473.09518	0.1
498.29749	0.5
516.30792	2.4
517.30646	0.1
535.27032	0.1
559.98950	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	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.6
58.06607	0.4
60.08162	6.2
67.05499	0.5
69.56239	1.4
70.06560	0.2
71.07371	2.9
79.05485	0.4
81.07049	0.6
86.09702	30.6
91.05518	0.3
93.07075	0.4
95.04967	0.3
98.21584	0.2
98.98459	2.7
104.10740	3.5
114.27828	0.2
124.99999	21.6
143.01050	0.5
145.27238	0.2
170.73735	0.2
176.78606	0.2
184.07332	100.0
185.07695	0.4
221.32401	0.2
258.10953	0.3
339.32703	0.2
516.30774	1.0
534.31750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
56.05031	1.5
57.03440	0.8
58.06587	1.4
60.08163	17.2
67.05493	2.3
69.07073	1.5
69.92944	3.4
71.07371	7.4
79.05486	2.1
81.07054	1.9
86.09702	54.0
87.09988	0.7
91.05489	2.1
93.07050	3.0
95.04964	2.5
95.08610	1.4
98.21416	0.7
98.98466	4.1
104.10739	97.5
105.07021	2.5
105.11058	0.6
107.08594	1.3
117.07006	1.2
119.08552	1.2
121.10146	0.9
125.00000	29.0
133.10138	1.3
145.10098	0.7
163.01556	0.5
171.41902	0.5
184.07335	100.0
185.07697	1.9
223.13286	1.7
241.33157	0.6
258.11127	1.1
269.03531	0.5
275.20078	1.0
349.23721	0.7
494.64755	0.6
498.29703	5.8
516.30853	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.05505	0.9
57.03436	0.9
65.03958	0.3
67.05495	0.8
67.15581	0.3
69.03426	2.7
70.06599	1.1
71.58458	0.6
72.08170	0.8
73.02920	0.3
75.04478	1.1
78.39116	0.4
79.05489	5.3
81.03419	3.7
81.07053	2.3
84.04506	0.4
84.08135	0.5
85.02890	1.5
86.09711	0.8
91.05481	5.4
93.07041	21.1
94.07400	0.3
95.01379	0.3
95.04967	1.7
95.08611	0.8
97.02917	1.5
99.04501	0.4
100.11259	0.7
103.05451	0.4
105.04495	0.5
105.07027	2.2
107.04925	0.5
107.08597	4.5
109.02888	1.9
109.06516	0.4
111.08059	0.9
116.06254	0.4
119.04915	0.3
119.08599	1.5
120.08160	0.4
121.06491	0.7
121.10139	21.4
122.10499	0.4
123.08030	0.6
123.11672	0.8
127.03931	0.7
129.07050	0.4
131.08571	1.7
131.52222	0.3
132.04449	6.4
137.05995	0.5
139.11183	0.5
145.02849	0.5
147.04459	0.5
147.08078	0.7
147.11690	0.8
148.08405	0.4
149.08409	0.6
149.09612	10.4
149.10739	0.6
160.03912	0.5
163.03889	1.0
165.12762	0.4
167.06981	0.5
167.10677	1.8
169.95387	0.3
177.05495	0.4
178.04990	61.5
179.05313	0.9
206.04478	100.0
207.04800	1.6
207.06429	0.7
210.14902	0.4
227.03523	0.4
287.05426	1.6
293.08328	0.3
293.13889	3.9
311.14914	2.1
516.18549	2.9
534.43207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	11.3
67.05500	17.8
68.49429	8.0
69.03432	20.6
70.02910	53.5
70.06595	23.5
71.04966	9.3
72.08163	21.4
73.02898	9.5
76.45443	8.3
77.30157	8.7
79.05489	24.5
81.03416	24.5
81.07068	19.9
84.04504	19.2
84.08121	22.5
85.02910	40.1
86.09727	27.7
89.00274	8.6
91.05475	69.7
91.49614	8.7
92.50198	8.2
93.07040	21.1
95.04964	14.4
95.08609	16.7
97.02893	25.5
98.37163	8.8
103.05486	36.1
105.07056	20.5
107.04939	20.8
107.08614	11.2
109.02887	14.6
109.06489	11.1
111.04398	11.5
119.04913	56.2
119.08576	21.2
121.10147	16.4
122.03663	10.2
123.04411	14.6
125.05990	12.9
127.03910	11.5
131.04921	32.7
137.05997	77.4
137.09546	8.8
141.06912	9.2
145.10194	11.4
147.04408	100.0
147.08051	18.4
147.11618	10.4
148.04994	8.4
149.05988	12.6
149.09630	18.1
153.05475	16.3
159.08096	13.0
161.06032	18.1
163.07486	48.3
167.07018	71.5
168.07375	9.6
172.05240	12.5
175.03859	43.1
175.07535	18.1
177.05507	29.4
179.07043	11.3
181.04971	8.9
186.03059	9.9
187.07558	35.8
193.08493	9.5
199.07506	23.6
201.05322	14.8
207.06512	84.2
209.10669	10.7
210.49167	9.6
217.08583	12.4
224.02809	9.3
237.10320	12.8
262.69287	8.8
273.06729	8.8
291.06445	10.3
291.95413	11.4
351.10974	9.9
353.13922	33.0
371.15158	21.6
533.26392	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	533.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
55.01873	1.3
57.03477	0.9
69.03427	2.4
69.56620	6.5
70.06580	2.5
72.08150	1.1
78.04706	2.0
79.05506	6.9
81.03407	1.1
81.07059	1.3
84.08157	1.7
85.02901	3.0
86.09679	1.4
91.05495	4.6
93.07049	1.1
95.04955	1.6
95.08550	1.1
97.02881	1.3
102.81319	0.9
103.05483	3.7
105.04521	0.8
105.07045	7.9
106.04144	1.7
107.04950	14.3
109.02845	0.8
115.05460	3.7
117.07019	1.7
118.04150	1.3
119.04932	1.8
119.08586	2.2
121.06565	1.4
123.04434	6.3
124.05225	3.3
125.05968	1.1
128.06215	2.1
129.07016	6.0
131.04912	3.9
132.05705	2.1
133.06483	5.4
135.04414	1.2
137.06001	2.7
144.05708	2.3
145.06465	1.9
147.04442	2.1
147.08035	3.3
149.05975	1.6
151.03885	2.1
152.04723	3.2
153.05496	2.6
156.05629	1.3
159.08073	5.4
160.05199	1.5
161.05983	8.7
163.03911	1.3
167.07043	100.0
168.07365	1.8
169.06364	1.1
171.08006	1.2
172.05186	1.7
175.07544	25.1
176.04765	1.2
177.05505	2.4
184.05156	1.7
187.07535	19.5
189.07124	1.1
189.09125	3.1
190.07745	2.0
191.07027	8.5
193.10165	1.4
199.07571	10.5
202.07738	1.9
203.08565	4.1
205.06395	1.0
206.04488	1.0
206.07297	1.6
209.08119	2.1
215.08507	1.7
218.07277	4.0
219.08067	2.4
221.09633	3.2
231.08122	2.8
232.08899	1.4
233.09583	3.7
234.06711	2.9
235.07564	1.7
246.06665	1.3
247.07535	1.7
248.08281	1.8
249.09143	4.4
250.09900	1.2
251.06897	1.6
260.08255	1.2
261.09064	4.6
263.07080	1.6
274.06366	1.5
277.08643	2.9
278.09366	2.3
281.11713	5.8
289.08533	4.2
290.09351	1.9
291.10382	1.3
293.11737	2.4
294.08835	1.5
306.08789	1.8
307.09720	1.4
309.11258	6.8
321.11172	9.5
322.11942	1.6
325.14514	2.1
326.11597	1.6
341.13797	14.1
353.13925	8.3
534.29169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.2
55.01884	5.3
55.05267	3.2
55.05513	32.2
57.03436	5.9
57.07067	4.1
61.02921	2.9
65.03935	2.6
67.05504	100.0
69.03436	19.3
69.07068	27.1
70.03655	13.0
71.04987	6.5
72.83746	2.3
73.02895	2.7
79.05492	76.1
81.03424	22.8
81.07058	99.0
82.07377	2.3
83.04980	8.6
83.08625	11.1
85.02904	22.8
85.06549	2.9
91.05483	53.5
93.07045	88.6
95.04971	13.8
95.08603	59.4
97.02877	15.7
97.06541	6.9
97.10171	6.2
98.20834	2.9
99.04438	8.6
99.08073	3.6
103.03950	3.0
105.04510	2.9
105.07026	43.5
107.04964	5.2
107.08588	45.8
108.04482	3.2
109.02867	4.3
109.06520	8.3
109.10149	33.7
111.04449	7.8
111.08116	4.1
115.05402	3.3
117.07031	23.5
119.08580	37.1
121.06476	3.7
121.10147	45.4
123.08006	3.6
123.11716	14.0
125.09591	5.1
127.03945	10.6
129.05479	3.5
129.07025	10.7
130.07690	2.4
131.08562	37.3
133.06541	4.7
133.10139	29.2
135.08075	3.4
135.11687	33.1
137.09627	3.9
137.13304	3.1
139.11182	3.2
143.08575	10.2
145.04970	4.6
145.06477	4.7
145.10132	26.4
147.08116	5.8
147.11690	23.2
149.09607	6.3
149.13264	17.0
151.14813	2.8
155.08609	7.4
157.10173	10.8
159.08037	3.5
159.11697	23.7
161.09630	2.7
161.13248	17.7
163.11272	2.6
163.14815	7.5
167.08681	3.1
169.10156	5.7
171.11734	9.1
173.09618	3.0
173.13266	19.9
175.11214	4.4
175.14836	6.4
177.12733	3.4
183.11777	5.6
185.09624	5.1
185.13277	10.1
187.14832	10.9
195.11699	3.8
197.13190	4.6
199.14801	6.3
203.14287	2.3
205.12318	2.4
235.18791	2.4
241.19440	5.1
243.21129	9.2
247.13623	2.3
259.20639	8.6
261.22128	39.7
273.22141	2.4
277.14352	4.9
277.21634	7.6
285.22107	4.6
289.21567	6.5
291.23172	6.2
301.21667	3.8
303.23248	9.3
313.21548	2.9
315.23227	6.5
319.22739	3.6
323.24124	2.4
327.23114	5.2
341.24738	6.7
345.24048	5.1
351.23224	8.9
359.25946	2.5
369.24246	27.9
387.25357	19.8
405.26321	28.9
423.27231	14.7
478.22684	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05500	0.8
57.03411	0.5
69.03423	2.0
70.00316	1.7
70.06578	1.2
72.07802	0.5
72.08157	6.7
74.06075	0.4
81.03397	0.4
84.04494	1.2
84.08137	0.9
85.02909	2.3
86.09701	1.1
87.04452	0.6
88.03953	0.3
89.03903	3.7
91.05468	0.9
97.02879	1.4
99.04486	0.4
102.05538	1.0
110.07089	0.4
115.03911	0.7
117.03380	14.5
119.04929	0.4
134.03593	1.0
135.04393	1.3
138.09142	0.4
145.02843	43.6
146.03247	0.5
147.04431	1.9
149.05984	4.3
163.03970	0.6
171.78551	0.3
177.05467	100.0
178.05832	0.6
183.11330	0.7
186.05486	1.3
201.12393	1.7
205.08206	0.4
208.09685	0.5
215.10312	0.9
229.11821	1.4
238.10736	24.6
344.59991	0.4
361.66833	0.4
400.16040	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29912	0.2
53.58884	0.2
56.05030	0.6
58.06344	0.2
58.06593	0.5
59.07109	0.2
59.07389	0.2
60.08160	6.5
67.05487	0.6
70.06601	0.3
70.07851	0.4
70.08244	0.4
71.07368	3.4
81.07035	0.4
82.11031	0.2
86.09701	32.7
91.05489	0.4
93.07021	0.3
95.08558	0.3
98.20866	0.3
98.98458	3.3
98.99049	0.3
104.10748	3.7
107.08543	0.3
108.76613	0.2
117.07038	0.3
124.99998	22.3
130.08673	0.2
133.10153	0.2
143.01031	0.5
159.07947	0.2
184.07330	100.0
185.07622	0.6
292.10538	0.2
305.65836	0.2
486.90686	0.2
514.29126	0.8
532.23560	0.2
532.30182	2.4
532.37213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01862	8.0
55.05507	38.5
57.03441	12.9
57.07058	8.4
58.94312	2.8
62.93196	2.6
65.03931	2.9
67.05504	81.8
69.07066	36.1
71.04974	6.4
71.08640	4.4
79.05492	61.9
81.03402	15.9
81.06580	4.8
81.07050	68.6
83.04982	6.6
83.08617	22.9
85.06540	6.1
85.07708	2.6
91.05476	61.5
91.68243	3.0
93.07043	64.6
95.04953	11.7
95.08600	55.0
97.06524	9.5
97.10162	14.9
99.08086	3.6
105.00082	13.6
105.07021	57.3
107.08592	49.7
109.06474	3.6
109.10150	31.8
111.08052	5.4
117.07043	24.0
119.08574	58.5
121.10129	27.4
123.08039	8.5
123.11687	4.7
125.09633	7.2
128.06236	4.3
129.07001	18.2
131.08566	55.9
133.10127	39.8
135.08080	3.9
135.11684	32.4
141.06920	7.2
142.07753	7.8
143.08557	29.7
145.10107	51.7
147.11674	34.1
149.09607	6.2
149.13197	7.9
151.11205	3.7
155.08527	11.7
156.09300	5.5
157.10103	29.5
159.11710	39.2
161.13219	23.0
163.11212	4.8
167.08551	4.5
169.10129	20.4
171.11710	26.7
173.04819	3.2
173.13269	30.9
175.11195	3.3
175.14833	10.7
181.10165	9.3
181.12199	6.3
183.11667	21.3
185.13226	28.5
185.91852	2.6
187.14807	15.8
193.10378	3.6
193.12224	8.5
195.11676	8.4
196.43114	2.5
197.13257	12.2
199.14813	15.7
201.16428	5.1
209.13251	10.2
211.14804	10.2
213.16388	6.8
215.14291	2.6
221.13078	3.9
223.14830	7.5
229.73257	2.8
235.14832	4.1
237.16325	4.5
241.19501	17.0
251.17793	3.6
253.14322	6.0
255.15810	17.6
259.20563	29.1
261.22330	4.9
269.10574	2.9
269.18735	3.3
273.22098	3.1
279.21078	3.3
285.22064	7.6
297.22144	6.2
299.23615	7.1
313.21539	4.0
313.25131	4.9
315.23239	4.1
327.23291	4.2
333.24173	12.5
341.24664	3.2
393.31573	5.2
403.29752	7.3
409.30795	6.2
411.32571	13.0
421.26828	2.8
421.31079	30.4
439.31818	23.2
447.34613	4.3
457.33145	21.7
485.36139	9.5
495.34708	9.3
501.35565	5.5
503.37222	30.7
513.35773	100.0
514.35571	3.5
531.36591	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	531.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62644	2.2
69.49029	22.6
69.57101	2.6
70.13319	2.1
85.02921	2.4
88.35709	2.7
118.06533	20.8
132.08086	6.5
142.50192	2.3
143.07242	3.7
144.08069	13.9
146.06009	59.3
147.04320	2.8
154.28728	2.2
157.37315	2.2
159.09149	6.9
170.06006	4.4
174.01059	2.5
177.47211	2.3
188.07060	100.0
205.09721	33.2
267.71469	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	531.2051
Annotation	Phenazostatin B
Peak:m/z	Relative Intensity
60.04502	0.5
67.05497	0.5
69.03424	0.9
69.37669	4.2
69.38079	0.8
70.06594	3.2
72.08145	2.7
74.38623	0.5
78.41261	0.6
79.05470	0.6
81.07050	0.9
84.04511	1.2
84.08134	0.8
85.02897	1.7
86.09712	2.4
91.05505	1.5
93.07066	1.5
94.07377	0.6
95.04955	0.6
95.08639	0.7
97.02882	0.9
97.06564	0.5
105.07037	0.6
107.04967	0.6
107.08623	0.6
119.08578	0.6
121.10143	1.6
127.03971	0.7
135.11646	0.6
141.01837	0.7
147.04436	1.1
167.07028	0.7
177.05428	0.6
201.03703	0.8
201.05428	1.2
203.05309	0.6
229.04955	1.3
253.13029	0.5
280.15973	0.6
340.10281	0.5
355.17264	100.0
356.17651	0.7
369.09912	0.9
369.14822	0.7
372.12561	0.7
531.20361	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01874	7.2
55.05509	36.9
57.03436	15.2
57.07062	3.4
59.04991	4.3
65.03937	5.5
67.05502	100.0
69.03430	2.5
69.07058	19.4
69.78955	13.7
71.01349	2.4
71.04983	5.7
73.02928	4.7
78.21587	2.5
79.05486	40.0
79.97308	2.2
81.03427	14.5
81.07055	72.6
82.07413	2.6
83.04962	10.5
83.08613	22.5
85.02903	12.4
85.06564	4.4
87.04469	7.8
91.05483	27.9
92.05805	2.3
93.07044	43.5
94.07382	4.4
95.04942	11.0
95.08600	24.9
97.02914	2.2
97.06544	10.4
97.10142	16.5
105.07019	16.3
107.04935	3.2
107.08593	30.2
109.10159	39.7
111.08092	6.0
117.07032	11.9
117.07755	2.0
119.08572	12.5
121.06548	4.0
121.10144	11.6
123.08076	2.0
123.11688	3.7
125.09631	16.6
125.59038	1.9
129.05447	3.5
129.07024	2.4
131.08574	8.6
133.10112	19.0
135.11708	11.4
137.09596	4.0
142.07849	2.0
143.10680	3.0
145.10114	6.4
147.11665	4.1
149.13249	16.3
151.11118	2.7
153.12723	2.6
159.11646	12.5
163.11169	8.3
173.11780	15.8
173.13112	3.3
177.12822	3.7
181.12167	2.8
191.10654	2.3
193.12256	2.9
195.13817	17.1
199.13220	10.8
209.11745	9.3
227.12804	5.3
227.70953	2.1
229.14342	39.9
269.17496	38.8
301.16516	7.2
315.13559	2.1
423.27512	12.4
495.29291	10.7
513.30438	9.8
530.38721	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	530.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10140	2.7
53.03934	6.0
55.01867	9.3
55.05265	3.3
55.05514	37.0
57.03444	14.7
59.04979	4.1
65.03950	3.4
67.05507	100.0
68.05822	4.8
69.03410	4.2
69.07070	24.2
71.04989	8.4
71.58903	3.2
73.02895	4.5
79.05080	3.6
79.05497	42.1
81.03420	15.9
81.07061	91.7
83.04978	7.0
83.08629	23.6
85.02885	11.0
85.06541	5.5
87.04461	7.6
91.05479	33.3
91.32280	2.6
93.07046	52.7
95.04958	9.0
95.08614	24.1
96.31297	2.9
97.02885	3.6
97.06514	13.2
97.10165	14.6
105.07037	16.8
107.04922	5.0
107.08607	28.9
109.10162	38.8
109.39764	2.5
111.08074	12.4
117.07014	15.4
119.08575	13.1
121.06451	4.1
121.10157	13.8
123.08024	4.4
123.11694	4.9
125.09626	10.6
129.05482	4.9
131.08585	13.7
133.10133	17.7
134.99780	2.8
135.11687	15.1
145.10124	6.0
147.08086	3.3
147.11702	7.4
149.09547	2.9
149.13278	13.2
153.12738	3.1
159.11676	14.7
163.11211	9.5
173.11717	12.9
177.12724	7.8
195.13786	16.9
199.13342	6.4
209.11664	5.1
227.12730	2.8
229.14326	36.9
269.17514	32.7
275.20178	3.3
276.20322	4.4
301.16614	4.8
301.19983	5.2
339.23151	2.9
382.63062	2.9
423.27240	7.4
437.28995	14.9
463.30499	13.6
530.37451	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	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.01854	3.6
55.05511	14.0
57.03431	11.3
59.54855	2.8
67.05500	33.9
69.07060	16.5
69.78904	2.5
69.79238	15.1
70.06577	2.1
71.04990	4.2
78.85987	2.7
79.05491	16.6
81.03448	3.3
81.07054	84.5
83.04994	6.2
83.08621	9.6
85.06544	5.3
91.05482	24.2
93.07056	11.7
95.04977	5.5
95.08608	21.7
97.02858	2.7
97.06542	8.3
97.10164	3.5
98.21409	3.3
99.08091	2.9
105.07024	29.0
107.08604	11.1
109.06554	6.8
111.35513	2.5
119.08597	25.1
121.10127	16.6
123.08038	2.9
123.11700	30.4
124.56449	2.4
126.21371	2.4
127.07536	3.7
128.55415	2.5
133.10132	3.3
147.11687	62.6
165.12753	28.4
176.11232	2.3
183.13852	5.1
229.14424	12.6
229.39804	2.7
267.15912	67.6
269.17737	3.3
283.15521	3.2
285.16956	100.0
303.05350	3.1
334.39758	2.8
449.29233	3.5
477.28284	12.9
495.29449	40.7
530.27893	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	530.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.2
55.05499	12.8
57.03427	7.9
67.05487	11.4
69.03428	46.8
69.07049	4.6
69.67684	26.9
71.01351	12.6
71.04979	3.6
73.02898	5.7
74.22208	3.8
75.04465	9.5
78.94114	3.6
79.05500	21.5
80.34521	3.2
81.07051	11.1
83.04979	24.6
84.08154	4.6
85.02903	38.5
90.06014	3.2
91.05463	20.2
93.07039	83.5
95.04967	9.6
95.08584	12.1
97.02882	4.1
97.06528	5.6
97.10184	5.0
105.07016	9.3
107.08603	12.9
111.04428	15.7
111.08044	5.2
119.08588	18.8
121.10142	56.7
129.05476	19.2
131.08542	6.9
131.36916	3.3
133.10101	5.5
147.08003	5.5
149.09601	14.9
167.10674	15.9
295.15359	60.1
313.16437	100.0
360.89761	3.7
408.40973	3.8
460.57721	3.8
487.09485	3.9
530.34100	25.4
551.06909	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	529.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
54.76327	2.1
55.01862	3.7
55.05511	67.2
57.03437	37.0
57.07076	68.7
59.04983	2.1
65.03931	3.7
67.05504	82.1
69.07067	86.9
69.90726	9.7
69.91135	4.8
71.04980	4.2
71.08634	40.7
73.06577	2.7
75.04469	11.8
77.69276	1.8
79.05490	45.5
81.07058	100.0
83.04975	6.0
83.08141	4.5
83.08617	63.0
84.58217	2.0
85.06548	5.0
85.10182	24.0
91.05482	19.5
93.07038	49.1
95.04968	5.6
95.08604	90.5
97.06522	20.6
97.10164	36.0
99.08089	3.0
99.11656	2.4
105.07037	14.4
107.08584	34.9
109.10148	37.7
111.08085	9.9
111.11732	11.0
113.05991	3.6
115.07606	2.7
117.07019	10.9
119.08579	7.1
121.10137	40.9
123.11704	15.8
125.09644	9.4
125.13239	4.3
131.07053	5.6
131.08588	10.0
133.10132	10.4
135.11693	31.2
137.13249	6.1
139.11171	10.2
142.07840	2.8
143.08591	4.5
143.10709	2.9
145.10138	8.4
147.11713	3.5
149.13235	18.9
151.14729	3.6
153.12744	7.3
159.11693	6.1
161.13254	2.7
163.14871	8.1
167.14348	7.1
169.10179	2.7
171.11688	2.7
171.13803	2.3
173.13251	2.4
177.16435	5.7
181.10141	3.3
181.15930	3.2
185.15337	2.7
191.17941	6.0
195.17358	3.0
199.14548	2.7
199.16968	3.4
205.19508	4.6
209.19011	3.9
223.20552	3.2
249.22153	3.4
251.23833	4.0
263.23511	2.8
306.37781	2.3
317.32108	7.0
327.30521	4.4
335.33148	15.6
339.04123	2.4
345.31509	10.3
347.96320	2.3
361.13913	2.7
363.32550	47.4
399.34695	61.9
419.33270	4.1
437.36249	44.5
455.37350	53.1
511.40018	16.8
528.28693	2.2
529.39801	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	529.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60494	1.4
53.03936	5.0
55.01862	5.2
55.05508	54.9
57.03189	2.1
57.03436	25.6
57.07076	43.4
65.03930	2.1
67.05503	82.3
69.03442	1.4
69.07066	74.5
71.04989	5.6
71.08629	32.0
73.06525	2.5
75.04472	6.1
79.05492	40.9
79.05959	2.2
81.03406	4.1
81.07053	100.0
83.04973	5.5
83.08616	53.8
83.09116	2.6
85.06530	4.8
85.10176	14.9
91.05479	22.4
93.06475	2.5
93.07043	49.2
95.04974	6.4
95.08604	89.0
97.06530	14.6
97.10169	34.7
99.08086	2.0
101.06022	1.7
105.07021	17.4
107.08588	31.5
109.06513	2.7
109.10154	38.5
111.08105	9.9
111.11718	12.3
113.05950	1.8
115.07523	2.0
117.07024	7.4
119.08589	12.2
121.10136	38.4
123.08029	2.4
123.11710	16.2
125.09595	7.8
125.13266	3.1
129.01097	1.3
129.07021	5.8
129.09125	2.8
129.76909	1.3
131.07060	3.0
131.08566	14.4
133.10130	10.3
135.11693	27.9
137.13237	6.9
137.65572	1.3
139.11157	6.6
139.14783	1.6
143.08588	3.0
143.10608	2.5
145.10130	13.2
147.11676	6.8
149.09622	1.8
149.13251	18.2
151.14862	2.0
153.12691	7.1
155.08453	1.8
157.10120	4.9
157.12212	2.5
159.11711	8.1
161.13275	4.4
163.14796	7.3
166.08994	1.6
167.14304	4.8
169.10101	2.4
171.11668	5.2
173.13240	3.5
175.14832	1.8
177.12756	2.0
177.16374	5.7
179.14308	1.8
181.15845	2.4
183.11646	2.8
185.13298	3.1
187.14789	3.3
189.16425	1.6
191.17960	3.2
193.12349	2.2
195.13826	1.7
195.17424	2.9
197.13336	1.8
201.16379	1.6
203.18063	1.7
205.19418	1.8
209.18945	3.2
213.18437	2.3
215.18076	1.6
219.21045	1.8
227.20067	1.8
233.22662	1.9
237.22141	2.1
244.46799	1.5
249.22229	1.8
251.23727	2.1
261.49713	1.3
275.20078	2.4
317.31894	7.4
335.33078	11.4
345.31525	13.7
363.32559	43.2
381.33539	2.2
391.35254	1.6
399.34665	51.7
437.36316	44.0
438.36533	1.7
455.37341	46.8
456.38016	2.0
511.39871	12.0
529.39673	71.7
530.39526	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
53.03946	5.3
53.65706	1.3
55.01877	3.8
55.05513	27.4
57.03429	6.1
57.07071	3.0
65.03935	4.4
67.05504	85.6
69.03423	1.7
69.07067	23.7
71.04999	5.5
71.58911	2.1
79.05495	62.4
79.05956	3.1
81.03410	5.1
81.07056	90.4
82.07399	1.5
83.04984	7.8
83.08624	16.2
85.06554	4.2
91.05481	42.1
93.07043	74.1
95.04974	10.9
95.08607	40.2
97.06541	10.2
97.10178	5.7
99.08127	2.4
105.04559	1.6
105.07030	27.1
107.04973	2.7
107.08590	38.9
107.09295	2.5
109.06551	3.9
109.10168	16.9
111.08098	3.7
117.07016	17.7
119.08576	19.8
121.10149	25.9
122.79771	1.3
123.08099	2.1
123.11726	6.3
125.09672	2.8
129.06990	6.7
130.07768	1.7
131.08580	26.7
133.10139	19.3
135.11682	17.4
137.13315	1.4
141.06926	2.4
142.07829	2.6
143.08574	8.3
145.10139	17.0
147.11694	10.9
149.09683	2.6
149.13274	23.6
151.11252	2.3
155.08571	4.8
157.10126	7.4
159.11703	21.0
161.09805	1.4
161.13301	6.0
163.11235	2.2
163.14825	2.4
169.10156	4.4
171.11717	7.7
172.45557	1.3
173.13231	9.3
175.14803	2.3
177.12779	5.1
181.10155	1.9
183.11748	3.3
185.13326	4.1
187.14868	6.0
195.11879	3.2
195.13861	9.6
197.13261	3.6
199.14865	3.1
211.14897	1.9
213.14819	1.9
213.16544	2.0
221.05818	1.3
223.14902	1.5
243.21098	2.3
257.19037	2.5
261.22147	3.5
269.17542	2.0
275.20227	6.1
285.22256	1.6
290.08817	1.5
419.33255	2.7
437.34180	14.7
455.35193	4.8
473.36331	2.3
511.37863	2.1
529.39014	100.0
530.39166	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	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
53.03940	5.8
55.01844	2.2
55.05269	1.8
55.05511	24.5
57.03417	3.7
57.07068	3.1
62.14190	1.2
65.03927	4.1
67.05505	71.9
69.03379	1.6
69.07065	26.2
69.24381	8.0
69.24813	6.5
71.04989	3.7
79.05492	56.5
81.03429	2.7
81.07056	83.6
82.07365	1.7
83.04978	5.9
83.08620	16.7
85.06532	2.0
91.05475	36.2
93.07042	66.4
95.04973	11.8
95.08610	39.5
96.22662	1.3
97.06540	9.1
97.10152	3.2
98.21513	2.7
105.07038	23.7
107.08598	37.3
109.06505	3.6
109.10167	12.6
111.08088	4.8
117.07011	13.7
119.08562	17.3
121.06608	1.5
121.10133	27.1
123.08086	1.9
123.11707	5.8
129.07019	2.8
131.08563	19.3
133.10129	14.8
135.11685	14.4
143.08566	5.4
145.10126	12.7
147.11697	7.5
149.13266	23.4
150.29343	1.6
151.11221	2.0
155.08534	1.7
157.10120	4.9
159.11696	18.3
161.13283	5.9
163.14842	2.1
169.10136	3.1
171.11711	5.6
173.13303	4.9
175.14825	2.8
177.12798	4.5
185.13147	1.6
187.14842	3.8
195.13785	11.1
199.14857	1.8
209.13246	2.0
213.14827	1.6
237.16255	1.5
261.22198	5.3
358.85962	1.3
419.33151	2.7
436.29416	1.4
437.34329	8.5
440.74146	1.3
448.23267	1.2
455.35797	2.2
473.36035	1.6
511.37927	4.3
529.38885	100.0
530.39355	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01860	3.8
55.05508	27.7
57.03437	8.4
57.07063	2.8
65.03935	3.5
67.05502	73.9
69.07067	25.8
71.04984	5.0
71.08605	1.2
71.50549	2.7
79.05489	59.8
81.03418	4.3
81.07051	83.7
83.04974	4.7
83.08630	13.7
85.06525	2.5
90.13219	1.0
91.05476	36.3
93.07038	70.9
93.41898	1.0
95.04963	12.4
95.08603	41.7
97.06528	8.7
97.10172	3.5
99.08092	2.3
104.48321	1.4
105.04540	1.4
105.07030	26.8
107.08591	38.5
109.06509	2.5
109.10154	13.7
111.08060	6.0
111.11727	1.9
113.09647	1.1
115.05447	1.3
117.07011	14.1
119.08570	20.0
121.06485	1.6
121.10143	28.6
123.08071	2.6
123.11710	3.1
129.07008	4.5
131.08549	21.8
133.10135	15.8
135.11681	14.3
139.11230	1.9
141.07007	2.3
143.08595	6.7
145.10103	13.4
147.11711	6.8
149.09634	1.3
149.13249	27.8
149.14371	2.0
151.11139	1.2
155.08575	3.1
157.10104	6.3
159.11699	19.7
161.13255	4.5
163.14824	1.9
167.08618	1.5
169.10167	4.2
171.11662	6.6
173.13301	6.4
175.14827	3.3
177.12741	4.7
177.68515	1.1
181.10165	1.8
183.11743	1.9
185.13258	2.6
187.14867	4.5
195.11949	1.4
195.13794	5.8
197.13333	2.5
197.83258	1.1
199.14867	2.5
201.16423	1.6
201.34177	1.5
213.16527	1.7
223.14761	1.9
243.21077	1.8
261.22177	5.1
299.23770	1.4
312.34827	1.2
419.32999	2.8
437.34119	8.6
455.35297	2.9
473.36093	1.6
511.37872	3.4
529.38879	100.0
530.39075	3.9
549.58893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.01875	1.4
55.05507	23.3
57.03427	5.1
57.07053	2.8
64.41386	1.1
65.03933	4.1
67.05499	74.9
69.03384	1.6
69.07060	21.5
71.04972	2.3
71.08612	1.3
77.03911	1.9
79.05489	57.6
81.03407	1.6
81.07050	84.3
83.04964	4.6
83.08620	11.1
85.06541	3.6
91.05476	37.7
93.07036	69.8
95.04952	8.5
95.08598	37.8
97.06555	7.0
97.10118	2.2
98.20647	2.4
98.94733	1.3
99.08096	2.8
105.04445	1.2
105.07029	24.1
107.08580	33.1
109.06525	1.9
109.10134	11.8
111.08087	3.7
117.07004	16.7
119.08579	18.0
121.06501	1.5
121.10134	26.1
123.08067	1.5
123.11692	5.0
129.07002	3.6
131.08553	20.3
133.10110	17.1
135.11671	15.2
139.11133	1.3
141.06999	2.2
143.08546	7.4
144.81429	1.3
145.10092	12.0
147.11702	8.8
149.09584	1.4
149.13252	21.9
155.08546	2.0
157.10051	6.4
159.11681	15.6
161.13248	3.8
169.10213	3.3
171.11729	4.7
173.13254	7.1
175.14813	2.2
177.12766	4.0
183.11806	1.4
185.13289	3.9
187.14851	2.8
195.12036	2.3
195.13843	8.3
199.14850	2.9
201.16382	2.9
213.16544	1.6
223.14693	1.5
237.16238	1.7
261.22144	4.3
311.23712	1.4
317.24811	1.3
324.29178	1.4
419.32779	2.9
437.34262	7.3
455.35321	4.1
511.37903	4.7
529.38855	100.0
530.39075	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	529.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.5
53.03939	7.0
54.74553	1.8
55.01866	3.4
55.05508	27.3
57.03428	7.5
57.07063	4.7
59.75229	1.7
61.90879	1.7
65.03930	3.8
67.05502	96.5
69.07069	33.8
70.00424	3.6
70.00830	9.0
71.01349	1.7
71.05003	4.6
71.08620	2.0
78.55949	2.0
79.05489	70.8
81.03428	2.8
81.07052	100.0
83.04973	5.2
83.08621	12.3
83.94411	1.8
85.06539	4.6
88.07654	2.6
91.05479	42.8
93.07037	87.0
95.04970	11.8
95.08602	43.8
95.29085	1.7
97.06517	12.5
97.10189	4.2
99.08071	2.4
105.07034	30.1
107.08593	47.8
109.06545	3.3
109.10143	10.5
111.08092	6.1
117.07006	15.7
119.08579	17.6
121.10135	29.0
123.11714	5.2
125.09634	2.4
129.06981	4.1
131.08569	24.3
133.10130	17.0
135.11688	18.5
135.12630	2.8
143.08583	6.6
145.10127	12.4
147.11708	9.6
149.13260	32.4
149.14372	2.6
155.08612	2.4
157.10155	6.9
159.11684	19.7
161.13271	4.6
169.10124	2.2
171.11693	4.5
171.33939	1.8
173.13344	4.9
177.12709	4.8
183.11797	2.6
187.14804	4.2
195.13782	9.5
199.14806	3.4
256.26404	15.8
261.22211	5.6
286.47736	1.7
406.93219	1.9
419.33170	2.8
437.34265	6.0
455.35458	2.5
506.56885	2.2
511.37595	2.9
529.38928	95.4
530.39337	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	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.5
54.42047	2.5
55.01878	21.5
55.05293	3.2
55.05515	30.2
57.03433	22.0
57.62611	2.5
58.93951	2.8
59.04997	2.6
61.02924	60.3
67.05508	57.5
69.03427	30.5
69.07072	34.4
69.64841	18.6
71.01352	4.5
71.04984	9.1
73.02926	23.1
79.05494	47.9
81.03420	25.2
81.07056	100.0
81.07529	6.0
83.04980	10.0
83.08611	18.1
85.02905	55.1
85.06539	4.4
91.03960	24.8
91.05470	47.8
93.07042	49.4
95.04974	16.5
95.08602	39.7
97.02897	36.7
97.06526	38.5
97.10147	13.1
99.04460	9.2
99.08022	2.5
101.02368	9.8
103.03956	3.2
103.05492	2.8
105.07022	51.9
107.04953	17.3
107.08601	37.5
109.02882	10.5
109.06532	25.7
109.10167	17.2
111.08099	7.5
115.03928	4.2
117.07013	15.2
119.04987	3.1
119.08585	39.4
121.06487	8.5
121.10140	20.2
123.04483	3.2
123.08053	13.1
123.11719	12.3
125.09650	13.1
127.03901	20.5
129.07011	5.4
131.08568	25.4
133.10117	26.4
135.08003	6.6
135.11661	13.0
137.09628	9.0
141.06999	3.7
143.08557	6.5
145.04926	6.3
145.10127	20.8
147.11691	29.3
149.09612	23.6
149.13266	8.0
151.11226	5.3
157.10144	6.9
159.11722	17.1
161.09767	2.9
161.13159	5.8
163.11168	15.6
163.14772	3.4
165.12790	8.6
169.10170	4.4
171.10193	4.9
171.11717	8.7
173.09674	3.5
173.11888	3.7
173.13229	13.2
179.14365	5.5
183.11639	5.3
187.13330	3.7
189.11223	9.4
189.12781	3.5
190.93068	2.9
193.12257	4.7
195.13750	2.6
199.14876	4.6
215.14391	3.4
223.47131	2.9
227.12854	8.0
229.14435	3.9
229.19548	6.2
231.17528	3.4
239.18005	4.5
245.13893	7.3
247.20540	4.9
253.17996	3.6
257.19043	14.3
265.11011	3.3
275.20065	95.6
293.21063	19.3
315.04865	16.8
341.06668	4.6
349.23734	35.7
367.20401	3.8
367.24808	53.4
383.11316	19.9
467.82822	3.4
493.28476	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	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31890	3.4
53.03941	8.4
55.01874	35.7
55.05512	48.3
57.03430	21.9
61.02925	63.5
65.03928	4.2
67.05180	6.4
67.05505	80.6
67.97686	3.7
69.03427	31.1
69.07064	35.9
69.47123	10.3
69.47527	24.4
71.04984	12.6
73.02909	27.7
79.05492	70.7
81.03430	26.0
81.07050	81.0
83.04971	18.6
83.08618	22.2
85.02907	54.6
91.03947	32.0
91.05476	58.4
93.07052	56.2
95.04980	18.9
95.08596	46.5
97.02889	37.9
97.06526	62.3
97.10160	30.8
98.21470	9.0
101.02369	6.9
105.07030	61.1
107.04959	23.2
107.08600	58.7
109.02901	8.4
109.06510	15.1
109.10139	22.6
111.04385	4.6
117.07009	22.6
119.08593	32.2
121.06535	9.0
121.10145	20.8
123.08055	8.3
123.11733	7.6
125.09641	30.6
127.03902	11.2
129.06999	10.3
131.08569	28.7
133.06535	4.8
133.10124	33.8
135.08034	11.5
135.11703	13.5
136.06151	4.3
137.09596	5.9
139.11174	4.5
143.08592	7.2
145.06355	4.5
145.10135	28.8
147.07971	5.9
147.11621	23.4
149.09621	37.0
149.13293	8.4
151.11101	5.3
153.09050	6.1
155.08577	4.5
157.10071	8.7
159.11642	21.7
161.13197	8.5
163.11186	14.9
165.12711	6.6
171.10164	12.9
171.11618	6.9
173.13257	13.4
177.12755	6.7
179.14267	6.8
183.11670	5.1
185.13138	4.7
187.11226	8.4
189.11227	36.1
195.13873	7.1
197.13239	4.7
227.12752	26.5
239.17984	9.5
245.13837	15.6
253.18024	16.6
257.18982	17.3
269.17395	6.6
275.20056	100.0
349.23715	88.7
367.24710	42.0
529.33276	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	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.7
55.01669	3.8
55.01876	45.1
55.05515	55.8
57.03438	28.5
59.04992	4.0
61.02926	58.0
65.03936	8.1
67.05501	76.7
69.03427	27.2
69.07066	35.4
70.06591	6.7
70.98071	7.1
70.98421	8.8
71.01339	6.0
71.04991	8.7
73.02917	26.2
79.05494	89.2
81.03413	22.8
81.07054	68.5
83.04963	15.4
83.08636	30.9
83.89133	4.1
85.02911	54.6
85.06532	4.6
91.03974	23.2
91.05482	56.6
93.07043	60.9
95.04957	23.7
95.08591	40.8
97.02896	45.5
97.06537	61.2
97.10170	45.1
99.04463	5.6
99.92857	4.2
101.02358	7.3
103.03957	5.5
105.07027	57.8
107.04955	33.0
107.08598	65.1
109.02872	5.6
109.06539	9.3
109.10161	21.1
111.04458	7.1
111.08089	7.3
115.03910	4.8
117.07005	24.3
119.08590	39.4
121.06524	9.4
121.10119	26.5
123.11700	11.1
125.09628	41.3
127.03917	15.4
129.07004	5.4
131.08560	30.5
133.06485	4.9
133.10088	33.5
135.08066	11.1
135.11710	15.2
136.06210	7.9
137.09630	7.7
145.05003	5.0
145.06456	6.4
145.10129	28.1
147.11707	24.1
149.09618	43.0
149.13263	4.4
151.11189	5.1
153.01877	5.5
153.09079	4.5
155.08559	7.4
155.83473	4.0
157.10158	7.3
159.11722	13.7
161.13286	12.0
163.11186	18.0
171.10179	18.8
171.11662	10.3
173.09673	5.0
173.11880	5.4
173.13310	11.4
174.55585	4.4
175.14648	4.4
177.12659	5.9
179.14320	6.4
183.11687	4.7
185.13245	5.0
189.11226	40.6
191.14304	4.6
193.12254	5.5
197.13277	4.3
199.14832	4.7
215.10629	4.6
216.10376	3.8
227.12794	40.0
228.13019	6.1
229.14346	4.5
232.16701	4.2
239.17982	9.8
245.13814	25.4
247.20648	7.0
253.18048	15.2
257.18994	17.1
275.20068	97.0
293.21185	10.2
297.16962	4.9
299.05481	5.6
303.04968	4.0
349.23724	100.0
367.11755	7.6
367.24738	34.7
493.27246	4.5
511.15921	14.0
511.28442	5.0
529.17505	9.0
529.33704	60.4
530.31183	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	529.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
54.30492	1.4
55.01865	2.6
55.05514	2.4
57.03436	2.4
61.02924	5.0
68.88557	1.4
69.03423	14.6
70.06590	13.7
71.04996	1.8
71.57987	2.8
72.08163	8.6
73.02911	5.6
74.06065	1.5
79.05495	1.9
81.03416	6.5
84.04485	2.9
84.08138	6.7
85.02897	23.6
86.09710	12.6
87.04455	2.4
91.05484	2.5
93.07027	2.0
97.02911	7.6
99.04440	4.3
109.02883	3.6
119.04969	1.9
120.08096	1.9
121.10179	1.8
127.03930	2.2
129.10278	5.7
132.08159	1.5
136.06194	4.2
145.07640	5.3
147.09149	15.5
150.69337	1.5
159.08006	1.6
159.09145	7.5
159.47017	1.5
173.07184	1.6
185.10765	2.0
191.08148	87.6
192.08649	1.9
199.12367	2.9
215.11873	2.2
216.07713	10.6
227.11795	1.7
249.11194	2.8
263.13834	8.3
289.11890	5.6
307.12866	61.8
312.90948	1.5
350.13449	100.0
392.99261	2.0
419.85828	1.6
469.18433	2.6
512.18774	68.6
513.19006	1.5
529.17194	2.1
529.24860	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35584	2.6
55.01846	2.6
55.05516	20.7
57.03426	11.7
57.07048	6.1
65.03930	4.0
67.05504	91.2
69.07076	16.6
69.36134	22.9
69.36560	8.7
71.01361	4.0
71.04958	4.7
72.54440	2.7
73.02899	7.1
79.05492	51.8
81.03431	6.1
81.07057	100.0
83.08598	7.2
85.02915	16.3
85.06517	3.1
86.09720	3.4
88.15842	3.0
91.05494	27.5
93.07041	60.5
95.01312	12.1
95.04987	7.9
95.08604	71.1
97.06549	4.7
97.10137	8.5
98.21577	4.7
105.07025	26.6
107.08588	43.9
109.06444	3.2
109.10159	46.6
111.08013	2.9
113.02360	3.5
113.09662	3.4
117.07006	10.4
119.08582	19.7
121.10160	31.6
123.11700	21.9
128.91815	3.0
131.08553	24.9
133.10127	17.0
135.11673	23.8
137.09521	3.8
137.13260	6.3
139.11177	4.2
141.01831	12.9
143.08582	3.8
145.10106	17.1
147.11662	11.2
149.13257	19.5
151.14821	4.0
159.11693	17.6
161.13277	9.3
163.14827	9.9
173.13257	10.6
175.14760	8.4
177.16335	4.3
184.07289	10.2
185.13277	3.7
187.14803	10.4
201.16295	4.2
223.63914	3.3
233.22780	4.8
243.18872	4.3
243.20972	19.4
261.22165	90.2
275.20175	3.8
279.23099	11.6
335.25793	19.2
353.26862	74.3
529.37476	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	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01865	2.0
55.05508	17.4
57.03425	4.9
57.07059	1.6
59.79421	1.2
61.02953	0.9
65.03937	1.8
67.05502	33.0
69.03403	1.5
69.07068	15.0
69.60588	2.1
69.61002	5.3
71.04978	3.0
74.06059	1.0
79.05489	27.5
81.03413	6.0
81.07058	29.6
83.04966	3.2
83.08617	8.6
85.06526	2.1
88.70458	1.1
91.05474	25.3
93.07039	24.9
95.04955	5.6
95.08606	18.4
97.02844	1.2
97.06519	4.3
97.10172	5.2
98.21498	1.3
99.08074	1.2
105.07025	24.6
105.07690	2.0
107.04950	1.8
107.08583	12.8
109.06518	2.4
109.10149	10.5
111.08092	2.4
111.11700	0.9
115.05451	2.5
117.07017	15.1
119.08572	22.9
121.10148	10.2
123.04452	1.0
123.08052	1.4
123.11720	3.2
125.09621	1.6
128.06232	4.4
129.07001	12.7
130.07770	1.6
131.08569	21.4
133.10129	13.5
135.08072	3.1
135.11703	4.9
137.09615	1.4
141.07021	3.4
142.07796	4.1
143.08549	18.3
145.10114	23.7
147.08006	1.2
147.11674	5.9
149.09575	1.2
149.13220	5.3
153.06984	1.5
155.08536	7.5
156.09338	2.5
157.10124	17.4
159.08136	1.3
159.11678	16.9
161.09598	1.0
161.13239	2.8
167.08551	4.1
168.09358	1.8
169.10100	11.7
170.10957	1.7
171.11685	14.4
173.13293	10.0
175.11320	1.1
175.14818	1.4
179.08606	2.0
180.09276	1.0
181.10117	3.8
182.10883	1.6
183.11681	11.2
185.13219	9.4
187.14803	4.9
193.12291	1.3
195.11731	5.2
197.13255	9.2
199.14751	5.1
201.16310	2.3
207.11633	2.1
209.13319	3.7
211.14862	3.2
213.16411	1.5
219.17293	1.2
221.13223	1.9
223.14836	4.6
225.16321	2.4
227.17897	1.9
235.14778	2.2
237.16414	1.7
239.17923	1.2
241.19516	1.3
251.18285	1.3
259.20648	2.7
263.18088	1.3
265.19614	1.5
268.10452	1.0
269.22607	1.2
275.19977	1.4
284.01401	1.1
295.20618	1.5
297.22287	2.2
299.20190	1.3
315.23245	2.8
325.21622	1.4
353.24783	1.0
355.26349	1.1
417.31607	5.7
435.32504	18.2
445.39417	1.2
453.33655	9.8
471.34698	7.4
473.34186	1.6
509.36328	7.7
527.37311	100.0
528.37628	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01857	3.0
55.05265	1.5
55.05510	17.5
57.03424	4.2
58.27861	1.0
65.03926	1.9
65.40255	0.9
67.05502	32.7
69.03423	1.5
69.07067	11.9
71.04986	2.5
74.26131	1.0
79.05062	1.6
79.05491	22.4
79.26350	0.9
81.03422	10.7
81.07050	31.3
83.04981	3.8
83.08615	9.3
85.06564	1.0
91.05475	23.5
92.01468	1.0
93.06474	1.7
93.07043	26.5
95.04955	6.5
95.08603	16.3
97.06544	2.5
97.10153	6.7
98.10015	0.9
98.20779	2.3
105.07033	18.9
107.04939	1.9
107.08586	13.7
109.06509	2.6
109.10160	9.8
111.08069	2.7
115.05442	1.9
117.03432	1.0
117.07014	12.1
119.08575	18.0
119.09383	1.9
121.06507	1.6
121.10151	9.9
123.07971	1.4
123.11691	1.8
125.09641	3.2
128.06224	3.1
129.06996	12.3
131.08551	17.4
133.06468	1.0
133.10124	12.0
135.08026	1.7
135.11687	3.9
137.09566	1.1
141.06998	4.3
142.07745	3.4
143.08546	13.4
144.09406	1.5
145.02899	2.2
145.09035	2.0
145.10106	17.5
147.08035	1.4
147.11647	8.2
149.09595	1.7
149.13245	3.4
151.11211	1.3
155.08571	8.4
156.09308	1.6
157.10114	13.2
159.11662	13.7
161.13237	3.1
167.08524	2.2
168.09331	1.1
169.10115	8.3
170.10938	1.6
171.11690	11.8
172.12390	1.1
173.13237	8.0
175.11189	1.6
175.14804	1.8
177.05426	5.8
179.08563	1.0
181.10101	4.7
182.10905	1.1
183.11665	10.8
185.13235	8.0
187.14862	3.2
189.11176	1.8
193.10284	1.4
193.12245	5.4
195.11702	4.6
195.13708	1.4
197.13332	5.2
199.14867	4.5
201.16479	1.1
207.11778	1.5
209.13226	3.9
211.14832	3.1
213.16422	2.4
221.13153	1.6
223.14812	2.8
235.14732	1.2
241.19534	1.2
251.17940	1.3
259.20621	2.8
269.17404	1.3
297.22104	1.8
301.25415	2.1
309.22003	1.6
311.23959	1.4
315.23175	2.5
323.23734	1.5
353.24728	2.5
417.31512	5.6
435.32587	16.4
453.33646	8.8
471.34726	8.0
478.85370	1.1
491.35278	1.5
493.84839	1.3
509.36166	4.6
527.37305	100.0
528.37762	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
53.72349	1.5
54.04748	1.4
55.01873	3.9
55.05512	16.2
57.03426	5.1
57.07068	4.2
65.03942	1.9
67.05505	29.5
69.07068	14.5
71.59251	1.9
79.05489	20.4
81.03413	3.8
81.07058	28.4
83.04968	3.4
83.08624	7.0
85.06538	2.0
91.05477	23.3
93.07045	24.2
95.04968	4.1
95.08604	20.3
97.06541	2.1
97.10190	3.9
99.08117	1.9
105.07030	22.0
107.08614	10.8
109.09522	1.6
109.10148	8.3
111.08096	2.7
115.05437	4.0
117.07015	14.9
119.08599	15.1
121.10146	7.6
123.11671	2.4
125.09684	1.9
128.06178	3.2
129.06999	14.8
130.43918	1.5
131.08563	24.9
133.10153	13.0
135.11729	3.6
141.06993	7.3
142.07771	4.4
143.08572	18.5
145.10132	21.9
147.11671	5.1
149.09589	2.3
149.13300	2.4
154.07729	2.4
155.08540	12.9
157.10106	15.9
159.11685	12.0
161.13194	2.1
167.08577	5.4
168.09396	2.0
169.10126	15.7
171.11685	15.7
173.13228	9.1
175.11125	1.9
181.10056	8.5
182.10895	3.0
183.11711	14.1
185.13300	8.5
187.14876	3.7
193.10147	2.4
195.11676	5.6
197.13264	6.5
199.14853	5.7
201.16498	1.9
207.11578	2.4
209.13283	3.8
211.14825	5.5
213.16382	3.3
221.13287	3.5
223.14833	4.3
225.16350	2.5
227.20229	1.7
228.20412	3.8
237.16449	3.0
259.20590	1.9
279.21078	1.9
303.61008	2.0
311.23743	2.0
323.23691	3.1
325.25320	2.6
337.25180	2.8
353.24692	2.2
355.26108	2.2
407.33145	2.8
417.31348	7.6
435.32632	19.4
453.33463	11.3
471.34729	4.8
473.34094	2.3
491.35233	2.7
509.36194	10.2
527.37292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
53.68321	1.8
55.01857	2.3
55.05515	15.2
57.03428	3.8
57.07088	4.1
61.50890	1.4
65.03931	2.2
67.05505	38.3
69.07072	13.0
79.05493	23.0
81.03416	7.5
81.07060	33.8
83.04977	3.3
83.08618	8.6
84.04498	2.9
85.06525	1.9
85.41722	1.7
91.05484	25.5
93.07046	24.3
95.04978	7.2
95.08596	19.3
97.06562	2.2
97.10181	3.0
101.07164	3.9
105.07033	21.7
107.08601	15.0
109.10166	10.2
115.05485	2.5
117.07012	14.0
119.08591	21.6
121.10159	6.9
123.08134	2.7
125.09671	1.8
128.06232	5.0
129.07013	13.6
131.08574	27.9
133.10098	9.9
135.08104	2.2
135.11725	5.0
141.07008	5.8
142.07787	2.5
143.08575	21.3
145.10118	20.1
147.11696	7.6
149.09628	2.0
149.13264	2.6
155.08565	13.2
156.09355	3.0
157.10127	17.2
159.11714	14.3
161.13292	2.3
167.08559	5.5
168.09361	2.1
169.10136	12.3
171.11716	14.6
173.13203	7.9
181.10112	7.9
183.11664	17.0
185.13240	8.5
187.14893	1.9
189.11220	2.0
193.12276	3.2
195.11714	7.5
195.13513	1.7
197.13235	12.3
199.14871	7.1
201.31355	1.8
209.13286	4.6
211.14919	6.4
213.16473	2.7
221.13255	2.9
223.14885	6.0
225.16454	2.5
237.16403	2.3
239.17969	1.8
251.17967	1.7
283.20663	3.0
299.19946	1.7
303.88608	1.7
309.22208	2.9
337.25446	1.9
341.24762	2.1
351.26822	2.5
417.31534	9.9
435.32681	18.8
453.33813	10.1
471.34702	5.8
473.34308	2.5
491.35077	3.1
509.36386	10.9
527.37347	100.0
528.37604	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01857	1.5
55.05515	15.1
57.03429	3.4
65.03934	1.9
65.11505	1.0
67.05504	26.6
67.30177	1.0
69.03412	1.5
69.07064	12.3
71.05006	4.6
71.54208	0.9
79.05492	18.1
81.03438	1.8
81.07055	31.0
83.04969	2.1
83.08612	6.1
85.06536	1.8
91.05484	21.2
93.07045	19.7
95.04952	2.9
95.08604	15.9
97.06546	2.3
97.10177	3.0
98.21622	1.6
104.61528	0.9
105.07030	21.4
107.08588	11.0
109.06564	1.0
109.10168	8.2
109.61990	1.0
111.08094	1.3
113.31673	1.0
115.05433	1.3
117.07021	12.9
119.08585	14.7
121.10136	6.8
123.08082	2.0
123.11691	1.9
125.09634	2.0
128.06192	4.5
128.07085	1.0
129.06998	11.9
130.07790	1.0
131.08574	23.0
133.10139	11.6
135.11710	4.2
141.07018	5.1
142.07802	4.2
143.08551	16.8
145.10126	19.1
147.11734	5.3
149.09531	1.1
149.13281	2.6
151.11218	1.2
154.07780	1.2
155.08571	12.6
156.09364	2.2
157.10124	14.8
159.11693	11.0
161.13289	1.6
167.08578	3.5
168.09386	1.3
169.10114	11.1
171.11674	14.7
173.13223	6.8
175.11284	1.2
175.14795	1.2
178.07834	1.0
179.08615	1.6
181.10100	7.1
183.11705	11.7
183.13322	1.4
185.13257	10.5
187.14841	3.3
193.10069	1.4
195.11652	5.9
196.12357	1.1
197.13266	9.6
199.14833	5.4
207.11711	1.6
209.13266	5.7
211.14809	5.8
213.16452	2.7
221.13156	2.3
223.14879	2.7
225.16362	2.2
227.18027	1.3
237.16400	3.3
247.14713	1.3
249.16348	1.5
257.19211	1.2
269.18909	1.1
279.21173	1.1
281.19156	1.5
283.20749	1.8
295.20734	1.4
297.22095	2.4
309.22073	1.1
311.23721	1.7
315.23248	0.9
321.21863	1.2
323.23767	2.8
325.25214	1.2
327.23108	1.7
329.98804	1.1
335.73621	1.1
337.25256	1.9
339.23230	1.9
341.24823	1.5
353.24728	1.4
417.31558	7.4
429.30643	1.7
435.32523	19.2
453.33621	8.9
471.34497	2.8
473.34387	1.9
483.32892	1.1
491.35464	1.4
509.36224	11.5
527.37323	100.0
528.38000	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	527.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.8
55.01877	18.0
55.05496	18.2
57.03437	49.5
61.02926	40.5
65.03956	5.0
67.05173	6.7
67.05502	87.9
69.03427	21.5
69.07047	10.4
70.06595	6.7
71.01345	5.4
71.04984	9.9
71.58339	5.5
71.75478	3.4
72.08156	3.4
73.02910	15.7
79.05492	54.0
81.03410	20.9
81.07053	48.6
83.04978	7.3
83.08607	8.3
85.02900	41.3
85.06543	24.6
86.09729	4.8
91.03946	14.5
91.05470	51.4
93.07038	59.4
95.01330	4.5
95.04963	100.0
95.08595	29.5
97.02896	35.1
97.06542	7.8
99.04463	8.7
101.02374	9.3
103.05479	6.6
105.07028	37.9
107.04971	21.7
107.08579	25.2
109.02882	6.8
109.06515	81.6
109.10123	10.1
111.04452	4.2
111.08065	8.3
113.06006	73.8
115.05418	5.8
117.06996	19.2
119.04957	5.8
119.08600	28.3
121.06492	8.4
121.10152	14.4
123.04408	4.5
123.08037	8.4
125.05950	3.5
127.03928	18.4
128.06209	4.2
129.06987	9.4
131.08543	27.3
133.06451	6.8
133.10094	18.3
135.08055	57.8
135.11696	11.5
136.06194	9.2
137.05937	6.1
141.01808	8.2
141.06952	4.9
143.08551	16.0
144.57004	3.8
145.10120	24.2
146.74864	3.6
147.08047	12.5
147.11684	7.8
149.09618	7.5
149.13254	9.3
155.08574	4.0
157.10138	9.9
159.08055	5.4
159.11723	17.2
161.05965	4.4
161.09593	15.5
161.13231	11.7
163.11223	5.3
165.09021	5.3
171.11717	8.8
173.09589	5.0
173.13313	4.6
175.11153	5.1
177.12733	4.6
179.99367	4.1
199.14821	5.2
217.15852	21.5
222.05563	3.7
237.16400	3.8
241.19412	6.9
255.17480	7.4
259.20624	19.9
273.18469	63.3
275.19598	5.0
279.15717	4.6
286.04666	5.9
289.05542	6.3
291.19547	95.5
301.07104	5.4
317.05301	5.7
317.16022	4.2
347.22125	12.7
351.25287	22.5
365.23343	16.7
427.23245	4.3
483.25836	4.5
509.12869	12.8
527.14868	29.7
527.24451	27.2
527.31763	95.4
528.25317	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	527.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25909	3.4
53.03935	10.9
55.01859	11.8
55.05500	15.0
57.03436	48.8
59.04952	3.4
61.02928	43.4
65.03934	4.6
67.05176	6.1
67.05503	86.8
69.03434	23.5
69.07057	8.0
69.90285	24.5
70.06583	4.5
71.04987	4.2
73.02911	21.7
73.95930	3.6
75.88098	3.5
79.05141	4.2
79.05499	45.9
81.03423	22.0
81.07050	45.3
83.04963	10.6
83.08625	7.0
85.02903	41.0
85.06553	35.4
91.03957	23.8
91.05474	48.0
91.93977	3.9
93.07042	45.0
95.04962	100.0
95.08598	17.1
97.02894	38.4
97.06523	8.7
97.10117	4.5
98.20937	5.4
99.04453	4.9
101.02392	8.7
104.02667	3.4
105.07024	33.1
107.04942	16.1
107.08627	20.7
109.02901	8.7
109.06520	88.5
109.10149	13.8
111.08067	7.1
113.06006	94.2
117.07062	18.4
119.08583	23.2
120.04456	6.5
121.06488	12.1
121.10123	13.4
123.08080	6.8
127.03899	17.2
128.06218	5.7
129.06995	13.0
131.08560	26.3
133.10112	14.7
135.08047	74.6
135.09013	8.2
135.11688	12.5
136.06206	6.0
137.05925	4.8
143.08562	11.8
145.10143	17.6
147.08025	9.5
147.11682	10.6
149.09590	8.9
157.10130	15.1
159.11693	11.0
161.09605	15.7
163.11150	5.8
175.11156	5.8
177.12746	8.1
185.13216	3.6
193.12311	4.3
195.11642	4.5
195.13748	4.5
196.44890	3.8
199.14755	5.9
217.15868	26.3
219.13911	3.8
227.12759	4.8
233.15404	4.9
255.17426	8.8
273.18448	68.3
291.19550	93.4
347.22141	9.0
361.08865	4.8
365.23288	21.0
509.27023	5.4
527.30676	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	527.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01862	5.4
55.05508	14.6
57.03434	11.4
67.05499	35.6
69.03459	2.7
69.07072	9.9
70.20843	7.7
71.01350	7.8
71.04978	2.0
71.37023	1.6
71.53403	1.8
73.02914	10.1
79.05096	1.7
79.05487	46.1
81.03431	3.2
81.07050	34.3
83.04987	2.2
83.08622	6.7
85.02900	23.3
85.06536	3.5
91.05476	37.5
93.07040	60.9
93.07627	3.1
95.01345	13.5
95.04981	7.4
95.08598	25.8
97.02910	4.1
97.06526	3.0
97.10154	2.0
99.00728	1.9
99.08110	2.6
101.02357	2.6
105.07029	39.8
107.04951	2.3
107.08593	32.7
109.06506	2.3
109.10168	11.0
109.10835	1.7
113.02376	8.7
117.07023	12.0
119.08575	37.8
121.10130	30.3
125.09619	2.6
128.06221	2.6
129.06992	8.5
130.07784	1.8
131.03378	5.5
131.08553	23.7
133.10126	32.8
135.08052	3.1
135.11682	29.0
141.01805	20.0
143.08572	9.5
145.10115	18.6
147.11678	34.9
149.09630	5.6
149.13232	21.0
155.08528	2.3
157.10103	8.1
159.02927	4.7
159.07968	2.5
159.11676	18.4
161.09680	2.2
161.13271	24.6
163.14807	7.1
165.12726	2.8
169.10127	2.6
171.11652	12.3
173.13278	8.4
175.14812	13.5
177.12802	3.0
185.13264	12.6
187.14888	3.1
189.12967	1.9
195.13742	2.2
199.14796	7.1
213.16437	2.1
215.17838	2.5
217.19469	2.2
231.17462	3.2
231.21095	8.2
241.19498	33.2
259.20557	69.8
260.20892	2.5
277.21545	13.2
333.24246	10.8
349.23596	3.9
351.25275	100.0
399.21756	2.3
417.22641	2.0
435.23871	3.1
477.49503	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46478	2.1
53.03934	6.7
55.01870	13.0
55.05512	33.2
57.03435	15.8
57.07062	3.7
61.02926	17.8
62.72001	2.2
67.05500	32.5
69.03428	27.9
69.07072	26.3
71.01359	4.4
71.04987	8.6
71.34137	6.4
73.02901	7.7
75.04462	2.0
79.05495	32.5
79.17820	2.2
81.03418	32.5
81.07061	39.0
83.01353	2.6
83.04987	11.1
83.08614	12.4
85.02905	25.0
85.10157	3.4
87.04496	2.5
89.09630	2.1
91.03948	8.3
91.05482	29.2
93.07048	28.9
94.29405	2.2
95.01324	3.4
95.04958	18.1
95.08617	17.0
97.02885	26.0
97.06522	6.7
97.10166	21.1
99.04466	3.3
101.02379	5.7
103.03929	3.7
103.55061	2.1
105.07037	18.2
107.04987	13.2
107.08600	19.1
109.02883	9.4
109.06512	4.4
109.10165	13.5
111.04473	6.0
111.08096	6.5
117.07011	8.8
119.04842	2.8
119.08572	18.8
121.06484	4.4
121.10151	11.5
123.04429	3.4
123.08068	8.2
125.05988	2.5
125.09657	16.7
127.03930	13.4
129.07004	8.9
131.08563	9.8
133.06532	3.3
133.10135	10.1
133.40919	2.5
133.49231	2.2
135.08066	5.9
135.11736	6.2
137.05983	5.1
137.09613	4.1
143.08545	4.5
145.06506	2.9
145.10150	9.3
147.08041	8.9
147.11644	6.8
149.09579	6.0
149.13281	3.1
153.09090	3.3
157.10139	6.8
159.08060	4.8
159.11641	3.4
161.09610	3.8
161.13203	3.0
163.11180	4.2
171.11693	5.0
175.11206	3.6
177.12761	2.5
185.09631	2.2
189.11159	13.0
191.10687	2.6
193.12233	9.0
205.12267	2.8
211.13245	9.4
223.13255	19.6
227.12753	3.1
231.35847	2.6
267.16031	3.3
273.18527	20.1
283.98010	2.8
291.19543	100.0
303.92209	2.3
339.68027	2.4
347.22089	3.6
365.23206	30.4
393.23093	2.5
465.28455	3.0
509.26923	4.5
527.28455	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	527.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30216	2.7
53.03930	10.1
55.01860	12.5
55.05511	29.2
57.03433	17.8
61.02925	19.6
67.05503	40.4
69.03432	30.1
69.07065	29.3
69.89970	17.4
71.01339	5.5
71.04977	10.2
73.02904	10.4
79.05494	46.8
81.03413	37.1
81.07058	49.8
83.04967	11.1
83.08611	10.6
85.02905	34.3
85.06544	4.0
90.59715	2.7
91.03925	6.4
91.05479	34.4
93.07033	36.3
95.04977	17.3
95.08615	18.5
97.02886	37.3
97.06514	6.7
97.10167	23.1
99.04450	7.4
101.02364	6.3
103.03942	4.1
105.07030	25.7
107.04954	13.7
107.08595	26.8
109.02856	10.6
109.06520	14.7
109.10159	15.8
111.04433	3.5
111.08087	4.5
115.96451	2.8
117.06992	11.7
119.08605	18.9
121.06548	4.8
121.10104	13.6
123.04433	3.8
123.08063	11.1
125.09624	20.5
127.03899	18.1
129.07080	6.3
131.08549	17.9
133.06505	4.4
133.10129	15.4
135.08029	9.8
135.11588	4.7
137.06003	4.7
137.09547	4.5
143.08510	5.8
145.10107	17.7
147.08051	8.0
147.11653	7.2
149.09634	6.7
151.11189	3.9
153.09152	4.5
157.10143	7.3
159.11606	3.8
161.09593	7.1
163.11107	4.5
164.38799	2.6
165.09215	3.6
169.12213	3.9
171.11714	4.5
173.04524	3.1
173.09641	4.1
175.11163	7.7
183.06557	3.3
184.07323	3.4
189.11230	17.0
191.10628	2.7
193.12207	12.0
197.13258	2.9
203.10706	3.3
205.12350	3.0
211.13269	7.5
223.13272	19.1
227.12712	5.9
235.13263	3.6
245.19019	3.8
249.14778	4.7
273.18524	25.6
291.19540	100.0
347.22128	12.6
365.23251	32.2
509.27335	4.2
527.12415	3.5
527.28223	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	527.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.4
55.01873	16.8
55.05502	30.1
56.05880	4.6
57.03437	29.9
58.94042	4.7
61.02924	27.3
67.05171	7.8
67.05505	100.0
69.03427	41.5
69.07076	24.9
69.40194	22.9
69.40620	20.0
71.01347	5.1
71.04982	12.5
73.02909	13.6
79.05495	79.3
79.05930	3.6
81.03416	45.5
81.07056	93.7
83.04990	24.6
83.08623	9.5
83.92522	5.0
85.02909	46.8
85.06542	13.5
91.03955	15.4
91.05482	91.7
93.07034	68.4
95.04973	31.3
95.08607	33.6
97.02883	32.5
97.06516	11.3
98.20713	10.0
99.04463	10.3
99.99668	5.0
101.02389	10.4
105.07029	67.2
107.04944	24.0
107.08578	50.5
109.02886	16.5
109.06515	14.1
109.10154	60.5
109.53970	5.2
111.04433	12.9
111.08094	7.9
117.07001	19.1
119.08598	23.0
119.58224	4.4
121.06486	10.4
121.10164	20.4
123.04460	6.1
123.08073	9.9
123.11722	11.4
124.69178	4.4
127.03896	28.5
128.06236	6.5
129.05516	9.8
129.06990	11.6
131.04906	5.1
131.08549	31.3
133.06471	19.7
133.10135	91.4
135.08020	13.6
135.11688	11.2
137.09669	7.0
141.06964	5.7
143.08519	9.7
145.06590	4.8
145.10107	15.5
147.08038	10.2
147.11670	10.0
149.06044	6.7
149.09631	14.4
151.11174	59.1
154.25641	4.5
157.10121	7.3
159.08017	7.0
159.11740	8.8
159.92397	4.6
161.09616	15.2
163.11226	5.1
164.07082	6.3
169.12213	16.0
171.11598	9.7
173.09637	6.5
175.11243	8.5
177.09161	11.6
177.12643	6.5
179.10703	5.9
184.07358	10.6
195.11728	5.0
201.86363	4.7
206.09314	4.7
215.12680	8.3
253.14386	39.0
269.13873	11.8
273.18466	38.1
291.19513	23.1
295.03827	5.2
316.05594	5.2
347.22079	14.9
359.32578	5.2
365.23129	49.9
392.15247	4.9
509.27881	7.9
527.14667	33.5
527.28461	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	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67494	0.9
52.08012	1.0
55.05482	1.5
58.24367	0.9
67.05492	3.5
69.03425	1.3
69.07076	1.7
70.06587	4.6
79.05487	3.6
81.03413	1.5
81.07047	5.4
84.04511	1.4
84.08158	1.9
85.02903	2.1
91.05475	3.4
93.07047	3.4
95.04994	1.9
95.06981	1.0
95.08599	1.7
97.02920	1.3
98.20924	4.6
103.05454	1.1
105.07034	3.4
107.04990	1.8
107.08604	2.0
109.10133	1.6
118.06837	1.3
119.04969	1.1
119.08595	1.6
121.10160	1.1
123.04421	1.7
127.03929	2.0
130.08936	1.0
133.10150	1.6
136.06200	1.4
137.05986	1.9
145.10214	1.3
153.01814	2.9
161.09552	1.2
163.03828	1.2
167.07008	9.2
177.05489	1.2
187.11082	1.2
203.05266	3.1
216.74031	1.1
229.66507	1.4
243.04836	7.0
245.06372	7.0
261.18225	3.4
263.19891	4.1
271.04361	2.2
279.19293	14.1
287.03723	41.5
289.05313	65.2
303.77994	1.1
311.05453	1.9
317.02795	1.2
321.19131	1.9
333.18973	1.3
354.11517	1.3
441.24658	2.3
483.25644	19.3
527.24634	100.0
528.24994	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	527.139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	4.3
69.03413	1.8
70.06592	2.2
70.43177	4.2
70.43562	3.1
82.80567	1.5
84.08143	3.2
85.02882	2.5
97.02884	2.0
97.59879	1.5
97.99169	6.3
98.97585	5.9
101.00891	2.4
110.97533	1.8
116.00217	10.4
116.07121	2.5
116.98615	5.0
119.01923	3.8
127.03864	2.2
128.98598	2.0
130.08627	2.9
131.01903	1.7
134.01253	5.6
142.01755	3.7
145.03503	2.7
145.04901	1.5
155.01851	2.2
158.99727	2.8
160.02837	4.0
161.02936	2.0
173.02916	3.2
185.02814	4.9
186.02866	1.4
189.00702	2.1
193.05522	2.9
197.02870	2.0
201.00772	5.3
201.06104	3.9
203.03406	16.6
215.05907	1.5
219.01700	2.4
219.07187	2.2
221.04443	19.6
237.02896	2.5
245.04811	21.2
261.02811	4.3
274.08063	3.1
274.58255	3.3
275.05692	4.1
279.03952	4.5
293.06772	1.5
305.06821	4.2
321.10263	5.2
327.02640	1.5
327.76755	1.5
347.07553	12.7
365.08542	10.9
505.36279	2.0
527.13770	100.0
528.13354	1.9
537.55933	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.9
60.04525	9.2
60.05652	6.5
69.03416	6.0
69.03767	1.4
69.37133	13.1
70.06590	16.5
71.78741	1.3
72.08152	29.9
81.03389	2.6
81.07079	1.4
83.06129	1.2
84.04504	2.8
84.08144	3.1
85.02908	13.5
86.07196	3.1
87.07951	2.0
88.08727	2.4
91.05492	2.4
92.14187	1.3
96.04532	2.0
97.02882	12.6
97.07653	7.7
98.06046	15.4
100.08762	1.3
109.02886	2.4
114.10290	26.4
115.08692	7.5
120.08112	1.4
127.03882	4.7
128.04970	1.9
129.10243	2.3
131.04913	2.5
131.12936	6.2
137.05988	1.7
138.10301	2.6
139.08667	1.4
141.10242	1.5
144.06589	6.6
145.02835	6.6
145.04971	2.0
146.05992	1.9
147.04413	4.8
156.04489	3.1
157.10822	16.1
159.12485	1.7
161.05986	2.7
162.05435	1.6
162.07660	6.3
163.03943	3.0
163.07451	2.0
174.05540	3.3
175.03928	4.2
176.04643	7.4
177.05457	22.1
180.08678	2.7
184.03934	8.9
188.07063	3.1
189.05524	3.1
191.07034	3.1
192.06589	6.2
193.05122	1.7
202.05048	4.5
216.06525	29.2
216.08467	1.9
222.10944	3.5
234.07617	3.0
236.05403	1.5
248.12723	1.4
262.14008	1.9
285.68268	1.4
286.15656	2.4
287.14008	4.5
288.13428	3.4
304.16653	2.9
305.15912	5.3
307.17599	5.6
319.16168	9.6
322.17599	2.3
329.16159	6.0
346.18805	9.4
347.16772	2.2
364.19843	12.2
370.19144	1.5
388.19736	2.3
406.20706	2.8
454.20612	1.8
467.21368	3.5
468.21957	8.6
469.22922	10.6
485.22461	2.6
486.23157	4.8
494.22327	8.0
508.23975	26.9
526.25122	100.0
527.24854	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	526.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.6
60.40551	1.5
69.03402	2.2
69.07081	2.0
70.06586	5.4
70.71033	5.5
71.04985	14.4
72.08136	1.7
73.06525	3.8
79.05512	3.9
81.03397	2.7
81.07053	17.1
81.53576	1.5
83.53278	1.4
84.08109	3.0
85.02432	1.9
85.02902	21.0
91.05462	3.1
92.26278	1.5
93.07042	14.3
95.01323	6.3
95.08607	2.0
97.02888	5.6
98.82532	1.6
107.08614	11.8
109.02843	2.3
109.10150	2.3
121.10173	3.9
127.03902	4.4
135.11697	20.0
136.06187	9.1
141.01845	10.1
141.29117	1.5
145.04979	10.1
147.04427	3.9
153.12743	100.0
154.13045	2.5
163.05972	4.6
177.03952	1.9
178.87260	1.5
279.11191	2.2
327.13522	2.2
353.11401	2.0
364.19800	2.1
402.70749	1.7
457.53745	1.8
494.19162	2.0
526.25073	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	526.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
69.07049	2.6
70.06582	4.2
71.58102	1.1
71.58510	1.3
72.08156	1.9
78.18713	1.1
79.05488	1.0
81.03424	2.0
84.08146	1.9
86.09700	3.0
91.05470	1.2
93.07043	1.1
94.06552	7.3
95.04967	1.1
99.45828	0.9
107.04967	2.2
110.06003	1.6
118.06483	0.9
120.04415	1.1
120.08118	1.2
121.10125	1.3
122.06025	10.3
131.34145	1.0
134.05988	1.5
136.06145	8.6
136.07626	1.7
137.02388	0.9
138.05467	1.3
140.07063	11.3
144.04468	1.0
146.05968	4.3
147.04407	0.9
152.05701	1.2
152.41301	0.9
160.28885	0.9
162.05504	1.1
166.08559	0.9
172.03867	5.5
173.04704	1.1
174.05508	3.9
176.07111	1.7
190.04857	4.9
191.05785	1.0
192.06541	1.6
197.10754	1.8
197.51326	0.8
204.06561	7.5
206.08125	3.4
209.10793	1.9
212.09465	1.9
216.10176	1.3
221.10831	0.9
222.07835	1.5
223.08652	1.1
223.12268	2.8
225.10281	6.2
226.11076	0.9
235.08607	5.5
236.09416	6.1
237.10190	19.9
238.10873	2.4
239.11852	2.9
243.11220	1.4
249.10245	6.3
250.10948	3.2
251.08028	1.6
251.11790	24.0
252.08981	3.9
252.12485	2.1
253.09779	6.5
253.13434	1.9
255.11270	3.8
261.12189	2.1
264.08981	2.7
265.09723	26.0
266.10376	4.6
267.11230	14.1
278.06598	3.8
279.11218	23.6
279.13919	1.6
280.08850	1.0
280.11993	3.8
281.12842	2.0
283.10849	3.5
284.11606	1.1
285.12247	3.2
293.09210	20.1
294.10022	4.1
295.10736	16.5
297.12338	6.7
306.10001	1.2
307.10779	7.0
309.12347	8.4
311.10333	3.1
312.10919	1.9
313.11780	16.4
320.89005	1.1
324.10989	2.9
325.11810	30.2
326.12567	1.2
331.12921	3.1
335.10248	18.1
345.14386	3.5
353.11298	100.0
354.11920	4.4
355.12820	3.1
357.14578	1.1
371.12375	1.6
385.13962	13.6
387.15942	1.3
450.20187	2.7
452.18069	3.2
466.19662	2.5
476.18271	2.3
482.22906	1.1
488.77411	1.0
494.19189	56.1
495.19559	1.5
526.22467	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66005	0.3
53.03941	0.3
57.03436	0.5
61.02916	0.9
65.03939	2.7
69.03432	1.7
69.54539	2.4
70.06573	1.5
71.04981	0.4
72.08152	0.8
73.02918	0.4
74.00647	0.3
78.91732	0.2
79.05508	0.4
81.03423	1.2
84.04508	0.4
84.08136	0.7
85.02905	5.2
85.03378	0.6
86.09714	1.0
88.03992	1.1
89.59337	0.3
91.05481	100.0
92.05813	1.1
93.07043	1.0
95.04952	0.3
97.02892	2.3
98.21485	0.6
105.06989	0.4
108.08105	0.6
109.02901	0.6
110.07175	0.5
119.04982	0.5
119.08552	0.4
120.01172	1.1
120.08095	0.8
121.10167	0.8
122.02749	1.1
123.00871	0.5
127.03907	1.1
128.41788	0.4
129.10233	0.4
136.06190	0.3
136.07677	0.4
137.05882	0.2
141.00056	1.1
145.04933	0.8
147.04424	0.8
147.89584	0.3
149.02417	0.4
165.09125	0.5
166.97954	0.4
167.01573	1.6
168.99554	1.9
169.34814	0.3
183.01173	1.7
183.02475	0.3
184.99042	12.3
185.99431	0.3
191.32251	0.3
192.01202	1.2
195.01181	0.6
210.02246	1.1
210.05843	0.3
229.01173	0.3
229.03291	0.7
230.33928	0.3
231.04732	2.2
256.02759	6.1
257.02780	1.2
275.03702	1.6
311.15036	0.3
312.11829	0.3
346.07352	2.2
364.08472	12.9
403.00729	0.3
442.09604	0.3
482.22986	0.4
526.24921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47090	2.4
53.03944	3.3
53.69495	2.1
55.05518	16.7
57.03433	4.4
57.07066	12.3
61.02919	2.4
67.05507	37.3
69.03442	11.8
69.07076	19.8
70.00236	2.0
70.06588	9.7
71.04992	3.3
72.08143	3.6
73.02919	6.4
79.05489	10.8
81.03422	5.2
81.07061	58.5
83.04979	3.2
83.08615	13.5
84.08156	5.6
85.02904	14.6
85.06547	100.0
86.09708	7.7
91.05486	12.3
93.07050	27.4
95.04985	4.6
95.08605	44.2
97.02920	4.6
97.06531	4.0
97.10185	8.4
99.08099	8.3
100.11247	5.5
103.05489	3.2
105.07040	19.1
107.04972	5.7
107.08588	17.5
109.02849	2.9
109.06519	3.5
109.10159	26.0
111.04408	3.5
111.08063	5.2
111.11710	4.6
116.58583	2.4
117.07023	6.1
119.04988	2.7
119.08580	11.6
120.08117	4.9
121.06498	2.8
121.10107	13.7
123.04442	3.7
123.08086	2.6
123.11723	19.3
125.06067	2.4
125.09647	17.3
127.03904	4.9
129.07034	3.1
131.08592	9.0
133.10115	10.4
135.08028	2.6
135.11693	8.3
136.06216	3.5
137.05981	6.4
137.13274	10.2
139.11183	5.0
141.01834	4.2
143.08583	3.4
145.10124	11.9
147.11708	6.2
149.09624	4.1
149.13255	16.8
151.14839	2.6
153.01788	5.6
153.12743	2.4
155.08492	2.7
157.10156	3.3
159.11682	9.3
163.14847	9.6
165.05559	2.7
166.08624	3.2
167.03432	5.9
167.07054	4.1
167.14307	3.3
169.10123	2.7
171.13799	8.4
173.13269	2.5
174.18457	2.4
177.05498	3.6
177.16344	5.2
182.15382	3.7
191.03487	2.6
191.17918	2.9
193.19472	4.2
196.15247	2.3
203.92247	2.3
257.19119	10.4
273.25665	2.7
279.26694	12.3
289.05350	9.9
291.26727	20.9
297.03952	8.6
297.27927	9.5
301.03503	3.1
309.27856	18.6
313.11960	3.0
315.05020	2.6
327.28964	8.9
329.79288	2.4
345.29840	3.5
349.23740	18.2
352.42255	2.3
353.10883	2.2
475.09241	2.7
525.13348	14.4
525.21777	4.0
526.14240	2.6
526.22070	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	525.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10019	0.5
53.03946	1.3
55.05510	14.4
56.05041	0.9
57.05809	1.5
69.49130	5.2
70.06600	2.4
72.08153	100.0
73.08482	0.7
74.02438	0.7
74.72105	0.6
79.05492	0.8
81.07074	1.2
83.04987	1.3
84.04488	1.1
84.08143	2.3
85.02893	0.7
86.09715	1.7
91.05479	11.8
93.07044	0.9
95.04972	0.6
98.06063	1.3
98.21507	0.7
99.09219	3.2
100.07606	0.8
103.05455	3.4
105.03384	1.2
105.07007	1.4
106.06584	0.6
107.28475	0.5
115.05470	0.8
116.05002	2.1
117.07049	0.7
118.06534	15.9
119.04983	2.0
119.07324	2.1
120.08106	11.6
120.08955	1.0
120.90585	0.6
123.04446	1.5
127.08669	5.5
129.07002	0.9
129.10294	0.7
130.06572	3.4
131.07327	1.2
131.08582	0.6
132.08105	0.9
136.06319	1.4
136.07594	8.9
137.05980	0.9
140.07124	0.6
144.08128	0.7
146.06004	13.8
147.04431	1.0
148.07567	0.8
157.10127	1.2
158.09714	0.7
160.11214	3.5
162.05501	2.8
164.07060	5.9
165.05527	2.4
165.06952	0.5
167.08595	0.8
169.10117	0.7
172.03984	0.7
172.11188	3.7
174.12779	27.7
179.08614	0.8
182.08119	5.2
182.09328	0.5
186.09187	2.3
190.12248	3.9
200.10817	1.9
201.13835	0.8
217.13335	3.8
218.09921	0.6
218.11853	2.3
218.14235	5.1
219.14923	4.6
223.07658	1.4
228.10193	5.9
229.13492	2.5
233.12981	0.9
236.10748	1.9
244.09572	1.1
245.12852	21.4
251.11771	0.9
261.12360	3.7
265.08691	1.0
270.11270	3.7
273.12476	0.8
281.14948	4.0
282.11206	3.1
295.10944	0.6
299.17377	1.0
307.13086	3.1
313.11984	0.6
316.20245	1.0
325.11816	1.1
344.19839	2.3
345.36166	0.6
352.15866	0.6
353.11292	2.8
355.12775	1.3
357.09314	0.6
369.18097	5.0
381.18295	1.3
409.17740	1.3
410.20819	2.2
426.20111	3.8
454.19705	31.2
454.92209	0.7
494.19516	1.5
497.27859	1.3
507.26099	1.0
508.24515	8.2
525.27570	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	525.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.05507	12.4
57.03437	4.1
67.05503	13.0
69.03440	13.6
69.07063	10.5
69.99422	5.5
69.99841	10.9
79.05496	18.4
81.03421	5.3
81.07069	26.5
83.04985	12.6
83.08621	5.9
85.02901	10.9
85.06570	5.1
91.05488	19.1
93.07040	28.5
95.04984	5.8
95.08612	16.3
97.02905	3.7
97.06529	3.8
97.10178	3.8
98.71834	3.0
105.07039	21.7
107.04955	8.8
107.08602	24.5
109.02868	2.9
109.06512	7.4
109.10175	20.4
111.08096	3.2
113.09652	6.6
117.07007	4.2
119.08582	30.7
121.06508	8.7
121.10147	22.5
122.07273	2.9
123.08062	4.1
123.11708	7.1
125.09657	5.8
127.03901	5.2
131.08569	8.9
133.10126	57.6
135.08099	5.7
135.11685	12.0
137.09625	35.6
139.11168	3.7
141.01830	3.2
141.69354	2.8
143.08611	3.1
145.10136	10.6
147.08057	6.2
147.11691	10.0
149.09673	6.0
151.11192	11.8
153.01819	2.8
157.10136	3.4
159.11685	6.7
161.09636	10.3
161.13300	4.0
175.11124	4.0
175.14801	24.5
177.98944	2.8
185.13278	3.9
189.12717	4.0
191.14317	3.3
201.16321	4.3
203.14293	6.0
217.15950	5.6
257.19107	3.4
259.20587	31.1
275.20010	7.2
276.25748	2.7
277.21628	100.0
284.32474	2.9
287.04611	3.5
289.21637	5.3
326.38660	3.0
349.23627	4.2
396.31116	3.0
525.13251	20.4
525.27222	7.4
526.13776	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	525.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66103	4.5
55.01859	5.1
56.96556	8.3
57.03432	4.3
59.04999	28.2
67.05498	7.4
69.03414	15.5
70.06586	8.3
70.51287	9.4
70.51684	9.0
71.04991	7.6
77.22569	4.2
79.05494	14.3
81.03416	12.2
81.07058	62.5
85.02906	27.5
87.04469	14.8
90.75056	4.4
91.05492	24.3
93.07042	100.0
95.01347	5.0
95.04983	10.5
97.02876	6.7
105.07030	31.7
107.08604	10.0
108.35592	4.7
109.06528	11.9
109.10143	8.8
111.08078	50.6
121.10164	16.4
123.11720	16.4
127.03912	4.9
131.00197	7.1
133.10130	19.0
141.01796	9.9
142.03304	5.0
147.04410	9.3
149.01146	4.8
151.11185	31.2
169.12238	92.2
173.07135	5.9
178.04460	4.2
187.13335	22.7
191.05342	10.6
191.08182	37.2
198.29790	3.9
213.71695	4.1
240.57622	4.1
243.09003	18.3
263.07306	25.9
263.57455	8.1
265.04950	11.6
276.53790	4.8
279.06506	10.7
294.70831	5.3
305.43509	4.2
307.12939	10.8
325.14032	21.1
356.13602	22.0
356.63669	7.0
378.93948	4.4
387.13367	28.4
437.16003	13.9
504.88126	5.2
525.14746	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	525.1391
Annotation	Mayoside
Peak:m/z	Relative Intensity
53.03932	0.4
55.01888	0.5
58.98038	0.4
61.22509	0.4
65.03933	0.4
67.01824	0.4
67.05510	0.6
68.43743	0.3
68.99793	0.9
69.07037	0.4
70.06578	0.3
70.74576	1.2
76.39788	0.3
78.04702	0.8
79.05505	1.9
81.07041	0.6
88.79075	0.4
89.03909	0.6
91.05480	3.0
93.07039	1.1
95.01382	0.4
95.04945	1.8
102.04680	0.9
103.05473	4.2
104.06246	1.9
105.03387	1.3
105.07030	2.7
106.04176	0.6
107.04956	2.0
109.06505	0.5
111.00821	0.5
115.05470	1.2
117.03396	1.1
117.07018	0.4
118.04155	1.4
119.04924	1.3
119.08604	0.7
121.02842	0.7
121.06512	2.0
121.10115	0.4
123.04433	1.2
124.05192	0.5
124.22845	0.4
125.31835	0.3
130.04132	1.4
131.04932	13.1
132.05716	11.2
133.02853	1.1
133.06502	2.2
134.03613	0.5
135.04408	0.9
137.02379	0.6
137.06003	0.9
139.03966	0.7
140.04681	2.6
145.06581	0.4
146.03642	2.7
147.04407	1.7
148.05185	1.2
149.02304	0.4
149.05959	3.3
151.03876	0.7
151.07608	0.4
153.01828	3.8
153.05437	1.1
154.06270	1.5
155.07091	0.6
159.04407	0.9
159.98320	0.3
160.05194	4.6
161.05971	5.6
161.14137	0.4
162.03043	0.6
162.06755	0.5
163.03886	0.8
165.05495	1.4
166.06255	0.8
167.07034	6.9
171.04430	0.5
173.06012	0.4
175.07550	0.6
176.04723	1.6
177.05475	6.4
178.06273	2.9
179.07066	0.9
180.07825	2.5
181.08635	0.8
182.09410	0.9
184.23030	0.3
185.05931	0.5
187.03879	1.3
189.05435	0.5
191.07022	4.0
192.07799	11.5
193.04893	0.5
199.03856	0.4
200.04578	0.4
201.05528	0.8
203.03412	0.7
210.08977	0.4
213.05466	1.2
216.04169	2.3
217.04968	2.1
228.04185	2.1
229.04872	2.5
231.06351	1.9
239.03632	0.4
241.04985	3.1
243.02950	1.7
243.06621	0.9
244.03665	5.2
245.04402	3.3
256.03690	0.9
257.04492	5.5
258.05270	1.6
259.05954	4.1
269.04495	2.5
271.06039	2.8
272.03256	0.7
273.03848	3.8
281.04523	0.7
283.05957	0.9
285.03912	3.1
286.04828	1.4
287.05487	19.8
297.03885	0.7
298.04758	0.6
299.05643	1.5
301.03424	9.6
301.06705	0.3
302.04163	4.4
313.03391	5.1
314.04095	0.9
314.58871	0.4
315.04959	8.7
316.05655	4.8
317.06509	2.4
327.04959	5.0
341.06796	0.6
343.04507	3.7
353.06467	2.2
356.05365	0.5
357.06216	1.8
371.07791	2.9
417.05768	0.4
447.10428	0.5
465.20602	0.5
475.10239	5.8
477.08197	0.6
491.09689	0.5
492.10764	1.0
495.12958	2.2
507.12872	13.5
525.13934	100.0
526.14532	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	525.139
Annotation	Mayoside
Peak:m/z	Relative Intensity
51.08056	0.3
54.19741	0.4
60.50922	0.4
67.05508	0.4
68.99779	0.5
70.25789	1.5
76.07026	0.4
78.04721	0.6
79.05491	1.4
81.03415	0.5
81.07058	0.6
83.66653	0.4
85.02892	0.4
89.03883	0.7
90.04712	0.6
91.05483	3.5
93.07050	1.4
95.04959	2.6
95.08611	0.6
97.84317	0.5
98.21494	0.5
102.04678	0.6
103.05473	5.4
104.06249	2.3
105.03398	1.5
105.07034	3.2
106.38252	0.4
107.04958	2.3
109.06555	0.4
109.10178	0.4
111.00735	0.4
115.05460	1.9
117.03370	0.7
117.07041	0.6
118.04160	2.5
119.04972	1.1
119.08546	0.6
120.08169	0.4
121.06498	2.5
123.04420	1.0
129.07024	0.5
130.04156	1.6
131.04927	14.0
132.05711	14.0
133.02867	0.9
133.06512	2.4
134.03670	1.0
135.04391	1.0
137.05989	1.2
139.02266	0.4
140.04694	3.2
145.02895	0.4
145.06506	0.9
146.03625	3.5
147.04381	2.0
148.05200	1.1
149.05974	2.8
151.03986	0.7
153.01819	3.9
153.05466	0.9
154.06259	1.1
159.04468	1.0
160.05190	4.8
161.06000	5.9
162.03117	0.4
162.06801	0.9
163.03911	1.6
163.07578	0.4
163.97444	0.5
165.01921	0.6
165.05499	1.3
167.07042	6.4
168.75839	0.4
171.04408	0.6
173.02437	0.4
173.06017	0.6
175.07645	0.8
176.04680	2.2
177.05473	6.3
178.06244	3.8
179.07068	0.7
180.07845	3.4
181.04926	1.1
181.08585	0.9
182.09354	0.4
184.07382	0.5
185.05994	0.4
187.03946	1.4
189.05540	0.8
191.07021	4.8
192.07809	13.7
193.08443	0.4
199.03958	0.5
200.04625	0.4
201.05444	0.6
203.03387	0.6
203.06984	0.4
210.09073	0.6
213.05556	0.9
213.95097	0.4
215.03337	0.5
216.04199	2.2
217.04987	2.1
228.04216	1.9
229.04936	3.3
231.06589	1.7
241.04973	3.6
241.19229	0.4
242.05612	0.7
243.02956	1.7
243.06569	1.4
244.03673	5.0
245.04410	3.9
250.06610	0.4
255.02908	0.5
256.03705	0.6
257.04514	5.9
258.05283	1.2
259.06049	6.2
269.04517	2.1
271.05859	1.9
272.03229	1.0
273.03928	3.7
280.07703	0.4
282.05197	0.5
283.02454	0.5
283.05988	1.1
285.03894	2.9
286.04651	1.0
287.05490	22.2
288.06006	0.8
291.73428	0.5
297.03943	0.5
298.04666	0.5
299.05521	1.9
300.02936	0.5
301.03436	10.9
301.06409	0.4
302.04242	4.6
313.03445	7.4
314.03973	0.5
315.04929	9.1
315.08582	0.5
316.05734	4.2
317.06589	3.3
326.04181	0.6
327.04980	5.9
341.06552	0.6
343.04428	4.9
343.08240	0.6
353.06424	2.2
357.06168	1.7
371.07712	2.8
417.06091	0.5
449.08591	0.5
475.10263	6.0
477.08286	1.2
492.10529	0.7
495.12845	2.3
497.17996	0.4
507.12851	13.3
507.19894	0.8
508.13495	0.4
525.13928	100.0
526.14240	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	525.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
55.05502	0.6
58.41610	0.5
67.05502	1.1
78.04720	0.8
79.05474	2.1
81.07044	1.6
83.04980	0.6
89.03917	0.6
91.05492	3.0
93.03423	0.7
93.07012	1.5
93.47477	0.5
95.04961	1.7
95.08602	0.7
97.02917	0.7
102.04685	0.8
103.05470	3.2
104.06238	0.9
105.03371	0.6
105.07023	2.4
106.04118	0.7
107.04937	3.7
109.06548	0.8
115.05471	1.2
116.89056	0.5
117.03330	0.9
117.07012	1.0
118.04150	1.6
119.04947	1.6
120.02048	1.5
121.02861	0.5
121.06510	1.7
121.10159	0.8
123.04453	1.1
130.04144	1.0
131.04906	7.3
132.05702	6.4
133.02817	1.1
133.06477	1.5
135.04384	0.6
137.02339	0.6
137.05991	2.6
138.03123	1.0
139.03917	0.9
139.11201	0.8
140.04652	1.6
146.03621	1.3
147.04408	1.9
148.05209	1.4
149.05984	3.0
153.01842	3.5
153.05411	0.9
154.06233	2.1
159.02643	0.6
160.05205	4.1
161.02431	0.6
161.05951	3.9
162.03168	0.7
163.03955	1.0
165.05476	3.7
166.02615	1.9
166.06245	0.8
167.03334	0.6
167.07051	11.2
176.04716	1.9
177.05446	3.9
178.06174	1.7
179.07034	0.9
180.07811	5.8
181.04944	16.2
181.08519	1.1
182.09395	3.0
184.03662	1.2
187.03922	1.0
189.05431	0.5
191.07018	4.7
192.07808	9.7
192.09436	0.9
193.08580	1.1
199.03819	0.5
201.05492	1.1
207.06497	0.9
209.08072	1.2
210.08835	2.2
213.05453	0.7
216.04192	1.3
217.04851	0.6
227.03540	0.9
227.06938	0.6
228.04160	1.3
229.04944	2.3
229.52440	0.6
230.05722	0.6
231.06537	1.3
241.04956	3.1
243.02841	0.9
243.06609	0.8
244.03659	4.4
245.04413	1.9
246.06538	0.7
257.04468	3.9
258.05081	1.4
259.05963	5.2
269.04346	2.5
271.06061	1.9
273.03925	1.8
285.03882	2.5
286.04861	2.7
287.05505	14.6
287.08746	0.7
301.03403	5.1
302.04221	2.9
313.03400	6.9
315.04980	5.4
315.08655	1.5
316.05847	2.0
317.06555	1.9
326.04282	0.8
327.04877	2.8
343.04617	1.6
353.06631	0.8
357.06204	0.5
360.57465	0.5
371.07596	1.2
389.23071	3.1
420.08221	0.6
449.08829	1.0
451.10437	1.4
463.10342	1.1
475.10349	1.4
477.07880	0.7
479.09830	0.8
492.10052	0.9
495.13046	2.3
507.12860	6.5
525.13855	100.0
526.14264	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	525.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	7.5
63.56398	1.6
69.03416	1.9
69.54408	11.3
69.54816	2.7
73.02890	1.9
85.02924	2.5
86.30531	1.9
97.02900	3.7
98.97580	39.0
114.14513	1.8
116.98613	46.9
134.99649	42.0
138.05501	4.2
153.00710	10.5
158.01303	3.1
177.00992	5.4
219.02101	5.2
226.92346	1.8
235.00009	6.6
240.98846	6.0
253.00919	2.6
258.99832	52.7
260.00076	6.2
261.00204	2.6
261.03116	9.6
274.97803	8.0
276.97897	3.3
277.00842	100.0
278.01077	6.3
279.00974	4.2
282.01367	3.6
282.99982	17.3
284.00125	3.9
292.90366	2.2
292.99030	2.5
295.01993	2.5
298.97476	2.5
300.02420	6.8
301.01071	29.2
302.01071	8.8
303.00940	6.3
316.98770	9.5
318.98752	2.9
320.02371	2.0
359.00333	9.0
382.99847	14.1
383.99850	2.7
401.01044	85.8
402.01282	11.2
403.00949	2.4
419.02206	16.1
424.02707	8.0
440.99289	2.9
443.02325	6.3
483.02841	6.7
507.00082	3.2
525.01184	45.7
526.01459	5.6
542.99188	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42257	0.3
53.74431	0.2
55.05505	0.4
56.05025	1.1
57.07076	2.9
58.06605	0.9
60.08160	16.9
61.86998	0.2
64.33219	0.3
67.05484	1.2
69.07059	0.5
69.41635	2.0
69.42052	0.8
70.06598	0.4
71.07372	6.4
71.08637	1.9
81.07059	0.9
83.08608	0.6
85.10175	0.8
86.09702	48.9
91.61867	0.3
92.09651	0.2
92.95808	0.3
95.08611	0.9
97.10175	0.3
98.98463	3.8
104.10738	100.0
105.11085	0.5
109.10168	1.0
109.15916	0.3
119.08716	0.4
124.99999	28.9
125.29567	0.3
143.01035	0.3
158.20457	0.3
163.01587	0.5
184.07333	95.8
185.07704	0.3
186.33052	0.3
240.42105	0.3
258.10995	1.1
341.30515	1.3
506.36063	7.8
507.35791	0.4
524.37079	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	524.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
57.03390	0.5
61.02911	0.6
64.47064	0.6
67.05484	1.1
69.03411	0.8
69.07030	0.6
70.06559	1.9
71.02887	0.8
71.03198	1.0
76.75652	0.7
79.05447	0.8
81.07030	1.4
83.04938	0.7
84.04490	0.6
84.08111	1.1
85.02868	1.7
91.05443	1.8
91.54272	0.5
93.07018	1.2
93.48640	0.6
95.04927	0.8
97.02797	0.7
105.07003	1.1
105.27937	0.5
107.08574	1.3
110.07157	0.6
119.08601	0.9
120.04424	0.7
120.08048	0.8
121.10099	1.0
122.05971	0.7
136.06171	0.9
136.07513	0.7
138.05452	0.6
138.09151	1.0
140.10693	1.4
141.01791	1.1
145.04919	0.9
146.05997	0.9
152.05840	0.6
152.07054	2.4
154.08617	1.6
176.10709	1.5
190.04953	0.6
192.06549	0.6
194.08078	2.2
200.54056	0.5
209.10745	1.7
211.12088	0.7
222.11456	0.7
223.12300	2.7
224.09343	1.0
225.10172	3.3
226.11021	0.9
233.10728	0.7
234.09158	0.9
235.08603	4.2
236.09358	3.8
237.10226	9.5
238.10927	2.2
239.11844	0.7
240.12645	0.8
248.09439	0.6
249.10229	11.3
250.10912	5.3
251.08240	1.6
251.11781	17.1
252.08838	0.8
252.12524	2.8
253.09706	14.5
253.13373	1.2
254.10352	0.7
261.10217	2.0
262.10941	0.7
263.08215	1.2
263.11819	2.4
264.09052	0.9
265.09720	19.6
265.12653	1.1
266.10468	1.9
267.11343	5.7
277.09695	3.3
278.07178	0.9
278.10452	6.8
279.07715	4.2
279.11279	20.5
280.11987	4.9
281.09360	0.7
281.12885	1.7
282.10062	0.9
283.10812	1.8
284.11328	0.7
291.11398	1.2
293.09183	6.7
293.12827	6.2
294.09943	2.6
294.13254	1.1
295.10736	3.8
295.14450	2.5
296.11533	0.8
297.12311	4.5
306.09760	1.1
307.10806	2.6
308.11475	1.5
309.08850	1.0
309.12244	6.2
311.10229	4.0
311.14008	2.2
312.11060	10.6
321.12439	0.6
323.10294	0.9
323.14026	1.8
324.11017	4.0
325.11819	12.6
327.13391	45.7
328.13751	0.8
335.10333	4.9
336.10913	1.5
337.11890	5.8
339.13385	100.0
340.14063	3.8
341.14789	1.0
352.10458	1.3
353.11328	8.9
357.14505	0.8
367.12878	87.6
368.13522	7.2
384.13397	0.9
385.13919	12.9
396.93158	0.6
399.15552	15.9
400.16373	1.0
436.18729	0.8
460.18463	4.0
464.21774	2.5
492.21289	74.2
493.21725	2.0
510.22260	1.8
524.24579	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02961	3.6
55.05502	11.7
57.03425	8.6
57.07073	22.8
60.08161	17.8
60.32858	2.9
62.90864	3.1
67.05506	23.4
69.07063	10.1
69.35724	25.8
69.36137	7.6
71.07371	6.7
71.08627	10.3
76.48444	3.4
78.88136	3.2
79.05489	10.6
81.03419	36.3
81.07061	19.4
83.04955	4.0
83.08619	12.2
85.10170	8.3
86.09706	48.7
87.10038	10.0
91.05480	11.6
93.07022	6.4
95.04960	12.4
95.08622	20.4
97.10161	7.3
98.20807	7.1
104.10743	83.8
105.07043	8.8
105.11072	20.2
107.04935	3.4
109.10191	4.7
119.08566	4.9
121.10155	6.0
125.00005	32.9
127.97710	3.2
135.14713	3.0
147.11678	5.1
157.10112	5.7
168.02229	3.5
172.95221	8.3
175.11111	4.0
175.95551	3.6
184.07329	100.0
185.07704	28.1
190.96385	4.2
193.12204	34.1
211.13246	4.2
229.14268	3.5
267.15900	37.2
299.54337	3.3
313.27338	38.0
505.38760	14.9
523.23132	8.3
523.35602	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66961	6.6
55.05503	40.3
57.03434	23.0
57.07069	30.1
67.05507	100.0
69.03436	9.4
69.07059	20.4
70.83250	25.5
71.04990	9.1
71.08625	30.2
71.62138	8.3
79.05474	21.8
81.03421	61.1
81.07042	44.0
83.08609	28.4
85.10181	17.1
86.09695	9.9
91.05478	34.6
93.07036	28.1
95.04967	25.5
95.08614	34.6
97.06490	9.6
98.02294	7.6
99.08109	9.8
105.07021	20.6
107.08602	17.4
109.10159	46.6
111.08066	10.4
119.08602	21.3
121.10165	7.7
123.11673	11.4
131.08525	9.1
139.68277	7.1
147.11690	18.8
165.12794	13.9
172.95238	18.6
184.07335	27.1
185.07707	8.6
190.96292	17.3
193.12238	57.1
211.13266	14.5
212.51257	7.6
228.97922	8.1
229.14301	13.8
267.15881	46.8
267.73956	8.3
277.21762	19.4
313.27328	67.0
459.05133	7.9
467.20450	11.6
481.00937	8.2
481.07941	9.1
505.38519	27.2
523.36255	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26438	1.8
53.03940	3.7
55.05511	18.3
56.52826	1.7
57.03441	9.9
57.03684	1.7
57.07077	60.0
64.08284	1.8
65.03934	4.0
67.05502	42.2
69.03432	3.3
69.07067	14.9
69.90926	11.5
71.04989	5.9
71.08633	38.4
77.17242	2.1
79.05490	22.8
81.03420	53.9
81.07056	46.0
81.25625	2.1
83.04979	9.0
83.08615	34.8
85.02903	29.8
85.06541	3.3
85.10190	19.0
91.05483	21.0
93.07042	13.7
95.04974	25.7
95.08607	35.5
97.10160	9.2
98.21420	2.8
105.04553	1.9
105.07031	21.0
107.04962	4.3
107.08592	5.3
109.06492	3.6
109.10158	17.4
111.04456	2.4
111.08086	8.4
111.11736	2.2
113.05994	2.7
115.05488	3.1
117.07010	3.6
119.08568	15.3
121.10143	7.4
123.11685	9.6
129.06987	9.7
131.08589	8.1
133.10135	5.1
145.10129	3.6
147.11694	13.6
149.09596	4.1
157.10152	12.2
165.12764	3.5
175.11229	12.7
193.12231	53.7
211.13295	63.2
239.23711	10.9
267.15933	5.3
313.27408	5.9
523.39941	100.0
524.40338	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.8
56.11148	2.3
57.03432	2.3
57.07078	46.2
67.05502	39.9
69.03432	2.8
69.07069	26.7
71.04994	4.2
71.08632	36.4
71.13388	3.9
71.13725	3.9
79.05495	16.6
81.07056	100.0
83.04962	6.6
83.08621	21.6
85.06533	3.6
85.10192	17.5
91.05495	19.2
93.07030	10.5
95.04945	2.7
95.08605	41.5
97.10149	9.0
105.07024	34.9
107.08584	9.0
109.06520	3.6
109.10166	15.3
119.08579	19.9
121.10145	15.9
123.08055	3.9
123.11694	34.2
129.74539	2.1
131.08542	2.4
133.10074	2.1
137.13263	6.4
147.11688	69.0
151.89706	2.2
155.77029	2.4
165.12749	34.5
183.13774	4.9
183.70041	2.4
193.12314	3.3
211.13297	2.2
229.14447	3.2
239.23616	6.3
240.36703	2.3
240.92540	2.8
267.15924	42.5
345.48706	2.6
436.72437	2.3
466.13480	2.3
523.40033	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73528	5.7
55.05500	16.4
57.03439	11.4
57.07076	45.7
60.08142	14.5
60.29308	6.6
67.05495	36.1
69.07055	18.6
70.19685	6.7
70.20015	26.3
71.07355	6.1
71.08629	34.5
79.05499	22.3
81.03419	66.6
81.07066	31.3
83.04996	7.6
83.08632	31.6
85.02899	8.5
85.10172	13.9
86.09702	57.4
91.05483	12.9
93.07040	12.8
95.04993	11.9
95.08608	31.5
98.21401	6.6
104.10745	100.0
105.07046	10.1
107.04991	6.9
109.10124	15.2
111.08095	7.2
119.08598	11.0
121.10154	9.2
123.18492	5.9
124.99981	27.1
129.06960	10.7
131.08592	7.2
134.11490	5.9
147.11679	5.9
150.67552	5.5
152.66847	5.6
165.12839	6.4
183.82585	5.6
184.07327	91.1
193.12228	62.7
211.13327	13.8
216.86221	6.2
236.64034	6.5
267.15930	53.3
313.27362	56.0
315.30423	7.0
337.60089	5.5
425.05490	6.4
505.38550	26.2
506.36526	9.4
523.39594	25.4
524.37311	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34073	6.4
55.05493	8.4
57.03439	13.6
57.07078	55.8
63.84290	8.1
65.61822	6.7
67.05496	36.6
69.07060	17.4
69.96290	14.2
69.96693	40.3
71.08637	39.3
79.05495	18.6
81.02108	8.3
81.02985	10.1
81.03420	100.0
81.07068	52.4
83.04965	10.7
83.08617	37.7
85.10182	16.5
91.05479	33.7
93.03428	7.2
93.07055	15.1
95.04971	32.8
95.08609	47.3
97.10136	8.2
104.10769	13.3
105.07031	20.5
107.04974	11.3
107.08569	7.0
109.10152	18.2
112.43594	8.3
117.81086	8.8
119.08574	18.6
121.10168	8.0
123.11676	11.6
129.06816	7.2
130.15550	7.0
131.08603	9.4
133.10139	9.0
147.11716	12.7
157.10130	15.6
175.11165	14.6
184.07359	28.0
193.12267	69.3
202.31638	7.8
206.58304	8.0
211.13310	16.3
239.23820	11.8
267.15939	62.9
313.27402	77.4
384.02667	7.5
440.27737	7.6
473.72983	8.0
505.38821	41.9
523.40070	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60228	1.9
53.03939	3.7
55.01871	2.1
55.05510	30.8
57.03441	10.2
57.07075	67.1
64.98803	2.0
67.05499	46.8
69.03426	3.5
69.07073	19.5
69.59801	4.2
69.60208	9.8
70.72224	1.6
71.04990	6.0
71.08629	46.9
79.05069	2.5
79.05491	26.5
81.03417	66.4
81.06581	3.3
81.07052	58.2
83.04991	10.1
83.08619	44.0
85.02905	29.8
85.06532	3.4
85.10176	24.8
86.09696	4.3
91.05475	33.2
93.07043	22.2
93.76339	2.4
95.04956	27.5
95.08605	51.2
97.02925	2.4
97.06547	3.9
97.10178	11.5
98.20757	4.0
105.07029	27.0
107.04951	2.8
107.08595	9.9
109.06525	4.9
109.10149	22.8
111.08091	9.4
111.11732	3.3
113.05988	3.1
115.05488	2.5
119.08585	22.6
121.10119	13.9
123.08066	2.7
123.11691	9.9
129.06979	8.4
131.08565	11.5
133.06432	3.1
133.10143	9.0
137.09564	1.9
137.13274	4.1
142.07785	4.1
147.08047	3.6
147.11662	22.1
149.09601	10.8
157.10117	13.4
158.04774	1.8
165.12790	4.4
175.11174	18.2
184.07373	3.1
193.12233	65.6
211.13290	67.8
239.23792	5.8
267.15958	12.2
291.99377	2.2
313.27328	21.1
505.38712	3.3
523.39923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.7
58.35367	3.0
61.02952	2.7
68.01733	2.6
69.03426	6.1
69.07086	3.6
70.06598	21.7
72.08140	6.5
73.02924	4.4
74.83781	2.9
79.05506	3.4
80.70092	2.6
81.03416	4.5
81.23514	3.0
84.04505	3.5
84.08135	6.2
85.02924	7.0
86.09718	9.2
91.05470	5.6
93.07046	4.4
97.02870	6.0
97.30042	3.1
103.05483	7.7
104.05781	4.8
114.42802	2.6
115.05589	3.3
119.04929	3.9
120.08113	9.2
121.10136	3.4
131.04932	12.2
132.05269	4.7
137.06015	6.3
145.02859	8.5
147.04430	7.3
166.05014	3.4
167.03387	5.1
177.05522	17.6
180.08858	6.4
199.08678	12.1
200.09496	4.3
211.08676	13.0
211.12167	3.5
212.09390	6.1
213.10234	13.0
214.10930	3.8
225.10173	15.6
226.07364	13.0
226.11038	7.9
227.08170	12.8
227.11801	8.4
228.08826	3.5
229.09799	3.5
237.10260	3.8
239.08208	4.5
239.11859	10.4
240.08945	4.3
240.12527	6.6
241.09698	16.0
241.13515	4.5
242.10472	7.9
243.11340	3.2
250.32166	3.1
250.45508	3.2
251.11862	3.6
253.09679	12.2
254.10550	6.9
255.11272	14.6
257.12808	6.0
265.09631	4.8
267.11298	22.1
268.08447	4.0
268.12100	14.1
269.09134	6.2
269.12857	5.4
271.10962	3.2
273.12411	3.5
279.11279	5.4
281.09317	8.1
283.10892	8.0
285.09006	4.3
285.12387	7.9
295.10693	20.2
296.11548	6.4
297.08795	3.6
297.12332	10.1
299.10233	3.3
301.11835	10.2
307.11090	3.6
309.08563	4.9
309.12219	3.3
313.11749	49.0
314.12308	6.2
315.13428	7.7
321.12225	3.5
323.10236	5.1
325.11725	7.2
327.13391	4.1
329.06683	5.4
335.13892	3.9
339.13342	8.7
341.11450	15.9
341.15198	3.0
342.12027	19.3
343.12573	7.2
346.06476	4.1
355.12912	9.0
357.10498	4.8
357.14551	3.7
361.09302	18.6
371.12427	4.5
373.13861	25.7
374.14447	5.3
375.15421	3.9
379.12994	3.4
381.14572	13.0
383.12305	3.2
397.13766	6.6
399.15512	3.5
401.13452	13.3
409.13986	19.6
413.13354	5.4
425.13428	10.9
427.15036	13.0
429.12753	6.2
437.13342	10.2
445.16083	30.4
455.14520	32.5
457.15985	8.5
463.16888	8.2
469.15939	10.3
473.15536	100.0
487.17050	21.3
491.16528	46.5
505.18213	72.4
506.18240	4.7
523.19147	44.9
523.26526	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	523.1449
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
61.02914	0.8
69.03425	1.6
69.96004	2.5
79.23221	0.4
81.03426	1.1
81.07056	0.7
82.53632	0.5
85.02900	4.4
85.06528	0.5
97.02866	1.4
105.06981	0.4
109.02931	0.6
113.45535	0.4
120.46365	0.4
127.03899	0.5
139.03844	0.6
145.04974	0.7
152.04688	2.0
165.01805	1.2
167.03403	25.1
175.03955	1.0
179.03448	0.7
180.04201	2.8
181.45450	0.4
185.05931	0.6
190.45346	0.6
205.04900	0.7
206.02319	0.5
219.06575	0.6
221.04536	0.5
223.06071	0.7
224.03284	1.1
233.04436	0.9
241.04903	1.1
242.05754	0.5
247.05972	0.8
258.05252	2.5
261.03909	1.4
269.04517	5.0
273.07620	2.9
274.04892	0.6
275.05478	3.9
285.04208	0.8
286.04758	1.3
297.04083	0.6
301.07098	7.9
303.04953	3.9
313.03418	0.9
314.04309	4.7
317.06610	6.0
318.07434	3.2
325.37778	0.6
328.05606	0.9
329.06549	19.1
331.04300	0.9
346.06866	15.8
361.09174	100.0
362.09418	2.5
492.90762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.7
58.35367	3.0
61.02952	2.7
68.01733	2.6
69.03426	6.1
69.07086	3.6
70.06598	21.7
72.08140	6.5
73.02924	4.4
74.83781	2.9
79.05506	3.4
80.70092	2.6
81.03416	4.5
81.23514	3.0
84.04505	3.5
84.08135	6.2
85.02924	7.0
86.09718	9.2
91.05470	5.6
93.07046	4.4
97.02870	6.0
97.30042	3.1
103.05483	7.7
104.05781	4.8
114.42802	2.6
115.05589	3.3
119.04929	3.9
120.08113	9.2
121.10136	3.4
131.04932	12.2
132.05269	4.7
137.06015	6.3
145.02859	8.5
147.04430	7.3
166.05014	3.4
167.03387	5.1
177.05522	17.6
180.08858	6.4
199.08678	12.1
200.09496	4.3
211.08676	13.0
211.12167	3.5
212.09390	6.1
213.10234	13.0
214.10930	3.8
225.10173	15.6
226.07364	13.0
226.11038	7.9
227.08170	12.8
227.11801	8.4
228.08826	3.5
229.09799	3.5
237.10260	3.8
239.08208	4.5
239.11859	10.4
240.08945	4.3
240.12527	6.6
241.09698	16.0
241.13515	4.5
242.10472	7.9
243.11340	3.2
250.32166	3.1
250.45508	3.2
251.11862	3.6
253.09679	12.2
254.10550	6.9
255.11272	14.6
257.12808	6.0
265.09631	4.8
267.11298	22.1
268.08447	4.0
268.12100	14.1
269.09134	6.2
269.12857	5.4
271.10962	3.2
273.12411	3.5
279.11279	5.4
281.09317	8.1
283.10892	8.0
285.09006	4.3
285.12387	7.9
295.10693	20.2
296.11548	6.4
297.08795	3.6
297.12332	10.1
299.10233	3.3
301.11835	10.2
307.11090	3.6
309.08563	4.9
309.12219	3.3
313.11749	49.0
314.12308	6.2
315.13428	7.7
321.12225	3.5
323.10236	5.1
325.11725	7.2
327.13391	4.1
329.06683	5.4
335.13892	3.9
339.13342	8.7
341.11450	15.9
341.15198	3.0
342.12027	19.3
343.12573	7.2
346.06476	4.1
355.12912	9.0
357.10498	4.8
357.14551	3.7
361.09302	18.6
371.12427	4.5
373.13861	25.7
374.14447	5.3
375.15421	3.9
379.12994	3.4
381.14572	13.0
383.12305	3.2
397.13766	6.6
399.15512	3.5
401.13452	13.3
409.13986	19.6
413.13354	5.4
425.13428	10.9
427.15036	13.0
429.12753	6.2
437.13342	10.2
445.16083	30.4
455.14520	32.5
457.15985	8.5
463.16888	8.2
469.15939	10.3
473.15536	100.0
487.17050	21.3
491.16528	46.5
505.18213	72.4
506.18240	4.7
523.19147	44.9
523.26526	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	523.1444
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
56.96508	0.9
57.03429	0.7
61.02896	0.7
69.03416	2.4
69.35175	1.9
69.35591	5.5
70.06584	4.8
70.67311	0.7
72.08138	2.3
73.02901	0.8
81.03420	0.9
84.04502	1.3
84.08137	2.9
85.02895	4.4
86.09693	4.5
88.08700	0.7
91.05457	1.7
93.07027	1.2
97.02878	2.0
102.05518	0.8
103.05445	0.9
107.32161	0.8
116.07125	0.8
119.44802	0.9
120.08073	2.5
129.10210	0.9
136.07553	1.1
137.05971	1.4
139.03880	0.7
151.03995	0.8
152.00980	3.5
152.04633	1.0
153.01813	1.7
164.74571	0.8
165.01822	5.0
167.03395	26.4
167.06917	1.0
170.02104	3.3
180.04167	7.4
181.08569	0.9
194.05637	1.0
219.10185	1.7
224.03244	1.2
225.10207	1.0
242.10622	0.9
254.10661	0.8
255.11237	2.1
258.05228	1.0
267.11337	1.9
269.04456	3.0
273.07504	1.3
275.05420	0.8
286.04764	1.1
297.11380	0.9
299.10220	0.9
300.02493	1.6
301.07098	3.3
303.04987	2.4
308.61426	0.8
313.02829	0.8
313.12006	1.3
314.04141	6.0
315.05045	7.2
315.13394	3.8
316.14093	2.2
317.06595	1.7
319.13641	0.7
328.05612	0.9
329.06549	14.0
345.06030	2.0
346.06833	16.7
361.09152	100.0
362.09366	2.1
399.16217	0.8
445.15656	1.6
455.14276	1.4
473.15344	5.2
491.16318	2.5
505.18274	4.3
523.19354	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	523.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98077	0.6
68.99790	9.1
69.37885	0.6
70.06575	0.5
70.24799	2.6
79.05502	1.1
85.02925	0.7
91.05491	1.2
93.07013	0.9
93.96584	0.5
95.04944	1.0
95.08584	0.6
98.20722	0.6
103.05452	0.9
105.07042	1.1
107.04947	1.5
111.00802	8.9
112.06675	0.5
119.08637	0.7
121.02876	0.6
123.04415	0.9
131.04964	1.8
132.05766	0.8
135.01472	0.7
139.03891	0.7
147.04379	1.4
149.09689	0.8
150.09111	0.9
151.03877	0.8
153.01834	6.5
153.06998	0.6
159.04402	0.9
167.07085	3.5
171.04512	0.8
175.05710	0.6
175.07581	0.6
176.04697	0.9
177.05542	0.8
183.04404	1.0
185.05862	0.7
189.07076	0.6
191.07033	3.1
192.07845	1.6
201.05449	0.7
202.07915	0.6
203.03403	0.9
205.06601	1.1
206.07330	0.9
207.08043	0.8
209.05937	0.9
215.03349	0.9
219.08116	1.1
221.05965	0.9
221.09674	0.9
223.07536	1.2
227.03308	1.2
227.07042	0.9
229.04865	1.0
231.08099	1.7
233.06137	1.0
234.06787	1.5
235.07513	1.1
237.05450	1.0
247.07541	2.3
248.08327	1.4
249.05643	0.7
250.06213	0.6
250.61380	0.6
251.07048	2.0
253.05026	0.9
256.60858	0.7
257.04370	0.8
259.07565	2.1
261.05447	1.1
262.06229	1.5
263.07034	1.3
264.07913	0.9
265.05014	1.0
265.08646	0.7
266.05496	0.6
267.06509	1.2
273.05386	1.2
274.06210	1.2
275.07031	3.0
276.07770	1.1
277.08597	2.0
278.05820	1.0
279.06552	3.8
280.07181	0.8
281.08005	0.9
285.03879	1.0
287.07031	1.8
289.05063	1.2
289.08572	0.9
290.05902	1.7
291.06525	2.3
292.07288	1.4
293.08029	1.1
299.05875	0.7
300.10147	0.9
303.06601	2.6
304.07367	2.3
305.04807	1.1
305.07861	3.1
307.06018	3.0
307.09378	1.0
308.07089	1.0
315.06427	1.0
317.08191	1.0
318.05344	1.2
318.09103	0.8
319.05936	1.6
320.06815	1.2
321.07568	1.9
322.08615	1.4
327.04898	1.2
329.07864	0.8
332.06839	0.9
333.03955	0.9
333.07565	3.5
334.08228	1.2
335.05441	1.8
335.09225	1.8
336.06299	0.8
337.07065	0.8
345.07489	1.0
347.05475	1.3
347.09174	1.5
348.06424	1.0
349.07047	1.4
350.07770	0.9
352.09415	0.8
353.10699	0.7
359.09262	1.0
361.07227	3.5
363.04816	1.0
363.08810	0.9
365.06281	0.8
365.10272	6.6
367.12091	0.8
373.07019	1.0
375.08676	0.8
377.06543	1.5
381.09692	5.9
385.07703	0.7
387.08734	1.6
391.07993	1.5
393.09650	12.5
401.06696	0.9
403.08536	0.9
413.06638	0.7
415.08084	1.0
416.09119	1.7
419.07654	2.3
420.23276	0.7
427.08237	0.7
429.06018	1.2
430.06863	1.1
433.09085	0.8
443.07788	1.0
444.08411	1.2
445.09146	1.6
447.07272	2.5
459.07343	2.1
460.07840	1.2
461.08292	1.5
463.06848	0.7
472.07825	1.4
473.08688	2.0
475.06512	6.2
477.11771	1.8
478.09232	1.2
489.08264	2.9
490.08960	3.6
493.11273	35.8
505.11276	100.0
506.11658	1.9
522.34204	1.0
523.12354	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	523.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87124	1.8
55.01875	2.4
55.05505	5.2
56.17823	1.6
67.05508	3.7
68.99785	7.5
69.03422	3.2
69.07056	3.1
69.34036	18.1
70.06592	9.3
72.08164	2.6
79.05489	5.3
81.03412	4.1
81.07050	7.1
83.04980	2.1
84.04496	4.4
84.08134	7.1
85.02891	4.6
86.09694	4.2
91.05479	6.0
93.07037	5.6
93.26479	2.0
94.04129	1.9
95.04973	3.2
95.08613	4.5
97.02918	2.0
100.11260	3.3
103.05463	1.9
105.07042	4.1
107.04955	4.5
107.08595	5.7
109.02886	2.2
109.06558	2.1
109.10167	3.5
111.00793	6.0
119.08585	5.2
120.08032	3.8
121.06547	3.1
121.10155	4.9
123.51060	1.7
129.10208	3.3
131.04904	3.1
131.08562	3.2
135.08075	3.4
136.06168	2.2
136.07550	1.8
137.05997	5.9
147.04398	3.5
149.09590	3.3
151.03902	3.0
153.01854	6.7
159.11780	2.4
167.07008	5.4
169.10129	1.8
173.13326	3.0
182.15329	2.3
191.07013	4.1
192.07866	2.3
199.38515	1.7
231.07935	2.2
234.06721	3.1
240.07803	1.8
245.06088	2.6
251.07095	2.3
262.06467	2.9
263.07053	2.5
275.06882	2.1
275.20135	3.8
289.05249	5.0
290.05704	2.5
291.06564	2.1
304.07397	2.0
307.05981	2.8
318.05048	2.1
321.07440	2.8
329.04526	2.2
329.08209	2.8
333.07733	3.4
335.05472	2.4
335.09015	2.3
349.07007	3.5
361.07141	2.6
365.10315	2.9
377.06235	3.1
381.09637	3.8
393.09625	8.5
448.30557	3.5
449.30988	2.3
473.08771	3.8
475.06638	6.7
489.07355	2.5
490.08783	3.3
493.11328	31.8
505.11285	100.0
522.34283	16.5
523.12463	34.9
523.20581	3.7
523.35071	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	523.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63278	0.3
62.80003	0.3
67.01862	0.5
67.05520	0.5
68.99783	1.3
69.90945	1.6
69.91357	0.8
78.04704	0.7
79.05490	1.1
81.03413	0.5
84.04549	0.4
91.05479	3.0
93.03384	0.4
93.07045	1.0
95.04971	1.2
98.20803	0.5
103.05455	2.5
103.27934	0.4
104.06299	0.5
105.03368	0.4
105.07029	1.5
106.04193	0.5
107.04958	2.1
109.06485	0.4
111.00792	1.7
111.62619	0.3
117.13727	0.4
118.04156	1.0
119.04971	1.0
121.05785	0.3
121.06512	2.1
121.64796	0.4
123.04428	1.5
124.05182	0.7
130.04132	0.7
131.04930	5.3
132.05719	3.5
133.02827	0.6
133.06514	1.0
134.03627	0.5
135.04442	0.7
137.06024	1.0
139.03941	0.6
145.02858	0.6
145.06490	1.0
146.03632	1.2
147.04424	2.6
148.05215	0.8
149.05983	1.7
151.03871	0.6
153.01814	5.5
153.05397	0.8
154.06255	1.1
155.04970	0.5
157.06483	0.4
159.04459	1.0
160.05238	1.4
161.05998	1.9
162.03171	0.4
163.03946	1.2
163.07585	0.6
164.04797	0.4
165.01921	0.4
165.05499	1.3
166.06288	0.4
167.07048	17.4
173.02376	1.3
173.06030	1.0
175.03947	1.2
176.04727	1.4
177.01866	0.6
177.05489	3.0
178.06285	1.1
179.06993	0.9
180.07910	1.8
181.08514	0.4
182.09404	2.4
183.04594	0.7
187.03926	1.1
191.06992	2.0
192.07791	4.7
192.09351	0.4
193.97154	0.4
197.06117	0.4
201.01889	1.1
201.05437	2.5
202.02658	0.4
203.03421	4.0
210.08968	0.6
213.05502	0.5
229.04962	9.8
239.03363	0.8
241.04913	1.0
242.05881	0.7
253.05022	0.6
257.04443	12.7
258.05209	1.1
263.07169	0.6
268.03751	0.6
269.04434	2.4
283.02304	0.4
283.06076	0.4
284.03271	0.8
285.03934	35.2
286.04587	2.1
294.05261	0.5
296.03281	1.0
297.03979	1.2
298.04837	1.0
299.05496	0.8
312.02936	0.7
313.03452	8.0
313.07013	0.6
314.04144	3.2
315.04977	3.4
318.04999	0.4
323.05490	0.6
325.03293	1.7
327.05154	1.1
339.05157	0.7
355.04529	0.7
361.07028	0.7
364.50119	0.4
369.06152	0.6
381.09503	0.5
402.07147	0.5
445.09030	0.4
458.06281	0.8
475.06793	0.8
489.08365	0.4
493.11337	2.0
505.11292	5.1
523.12378	100.0
524.12836	2.6
526.95447	0.4
537.86792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.4
61.28629	0.4
65.03933	0.4
67.01871	0.5
68.99792	1.5
69.03461	0.5
69.91102	2.6
78.04711	0.9
79.05484	1.2
80.66930	0.4
81.07056	0.7
83.84345	0.3
89.03905	0.6
91.05498	2.1
93.07042	1.0
95.04948	1.2
102.04678	0.5
103.05463	4.3
104.06268	1.0
105.03324	0.4
105.04557	0.4
105.07060	1.6
107.04943	1.3
109.06542	1.2
111.00835	1.2
115.05448	0.9
117.03378	0.6
118.04145	2.0
119.04959	0.7
121.06525	2.2
123.04438	1.8
124.05205	0.7
130.04175	1.3
131.04930	6.8
132.05705	6.8
133.02849	0.9
133.06534	1.3
134.03625	0.5
135.04443	0.6
137.05991	2.4
145.02881	0.4
145.06596	0.5
146.03624	1.4
147.04420	1.5
148.05226	1.1
149.06013	2.5
153.01825	9.2
153.05467	0.6
155.04955	0.5
159.04440	1.3
160.05238	2.4
161.06007	1.9
163.03947	0.9
163.07585	0.7
165.05492	0.8
166.06276	0.7
167.07047	10.3
167.08418	0.8
173.02370	0.8
173.06107	1.3
175.03949	1.2
176.04739	1.4
177.01834	0.8
177.05481	4.2
178.06259	2.3
180.07933	0.6
181.08632	0.7
183.04468	0.5
185.05859	0.5
187.03943	1.2
189.05424	0.5
191.07013	3.2
192.07823	6.9
193.08591	0.9
201.05453	2.3
203.03386	5.2
211.04042	0.7
213.05495	0.9
215.03322	0.7
220.03665	0.5
229.04938	8.1
240.04321	0.6
241.05072	0.9
242.05739	0.8
243.02878	0.5
253.04892	0.7
257.04480	12.2
258.05295	1.1
262.06265	0.7
263.07236	0.6
265.05093	0.5
268.03705	0.7
269.04486	2.7
270.05334	0.7
278.05859	0.5
281.04514	0.9
283.02374	0.8
284.03366	0.7
285.03940	37.3
286.04550	2.2
287.05472	0.5
290.05597	0.5
292.07462	0.6
294.05075	0.6
295.06110	0.6
296.03256	1.1
297.03976	0.9
298.04770	0.6
299.05563	0.6
308.06992	0.5
309.07669	0.6
311.05502	0.5
312.02521	1.5
313.03421	11.0
314.04135	4.6
315.04941	4.7
323.05594	0.8
325.03424	0.6
327.05035	1.3
351.08447	0.7
355.04605	1.1
361.07254	0.6
369.06091	1.8
384.06281	0.5
399.08600	0.6
419.07440	0.5
473.09128	0.8
475.06635	0.6
493.11261	2.0
505.11304	16.4
515.78802	0.4
523.12372	100.0
524.12762	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05026	0.7
57.03440	0.2
57.07074	0.2
58.06307	0.1
58.06637	0.5
59.07408	0.1
60.08159	6.5
67.05501	0.6
67.47074	0.1
69.07066	0.5
70.06583	0.2
70.98518	0.1
70.98882	0.2
71.07371	3.6
79.05487	0.3
80.97472	0.1
81.07047	0.6
83.08615	0.3
85.02905	0.1
86.09702	32.7
87.10027	0.2
91.05473	0.1
93.07040	0.3
95.08589	0.4
96.39877	0.1
97.10165	0.2
98.98460	3.2
104.10742	3.1
107.08608	0.2
109.10148	0.2
116.98012	0.1
119.08538	0.1
121.10133	0.1
124.99998	22.0
128.07928	0.1
128.54832	0.1
131.08540	0.1
143.01027	0.5
148.11858	0.1
154.94203	0.1
166.02684	0.2
172.95215	0.4
184.07330	100.0
185.07712	0.8
190.96225	0.1
219.67493	0.1
221.78035	0.1
228.89885	0.1
228.97905	0.1
246.98991	0.1
258.10962	0.2
335.11417	0.1
339.28793	0.2
504.34418	0.8
522.22046	0.2
522.35413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31536	7.2
53.03953	7.6
55.05495	19.2
67.05507	26.7
69.03443	11.9
69.07068	19.1
70.06597	17.3
71.04995	14.8
71.10332	16.8
79.05495	27.0
79.91920	7.7
81.07052	100.0
83.08648	10.0
85.02908	31.7
86.09701	11.7
87.00862	9.2
91.05506	16.9
93.07038	52.0
95.08607	36.5
97.02899	37.6
105.07056	53.5
105.68581	9.9
107.08581	51.8
109.10162	33.3
117.07007	11.1
119.08585	83.2
120.08105	7.8
121.10165	19.7
123.04449	8.1
123.11716	20.2
127.03891	17.3
127.11208	17.1
133.10161	39.0
135.11699	71.4
136.06236	10.9
137.06003	22.7
137.13298	9.1
137.85855	7.7
143.10674	9.1
144.96466	8.4
147.04486	13.5
147.11661	19.9
153.12759	10.9
161.13287	10.9
184.07330	10.0
203.17940	59.9
221.19031	37.0
260.65662	8.5
280.19186	7.5
328.25650	27.2
360.11606	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	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.6
56.05028	1.2
57.03440	0.6
57.07061	0.8
58.06586	1.3
58.72597	0.5
60.08160	16.9
60.08470	1.0
65.11117	0.5
67.05501	1.6
67.94585	0.6
69.07064	3.3
70.26585	1.1
70.26998	2.1
71.07374	6.5
79.05484	0.7
81.07047	1.8
83.08572	1.4
86.09702	51.6
90.89654	0.5
93.07030	1.1
95.08595	1.5
97.10152	0.6
98.98479	4.1
100.69205	0.6
104.10738	100.0
113.62991	0.5
124.99082	1.3
124.99998	27.2
127.65197	0.6
135.11690	1.0
139.56485	0.6
163.01585	0.9
176.59422	0.5
184.07335	97.5
258.11099	0.8
339.29062	1.4
414.63745	0.6
504.34412	9.2
522.35529	20.5
523.36053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51408	0.2
55.05267	0.3
55.05511	4.0
56.05027	1.0
57.03441	2.6
57.07082	0.5
58.06625	0.8
60.04543	0.3
60.08164	10.7
61.08506	1.6
67.05508	7.9
69.07066	3.4
70.13930	1.5
71.07376	5.7
72.07715	1.6
79.05486	2.5
81.07054	8.2
82.07379	0.4
83.08624	2.4
83.57332	0.3
86.09705	45.7
87.09464	0.7
87.10032	13.3
88.04005	1.8
88.09834	0.3
88.10377	1.1
91.05479	1.2
93.07038	2.0
95.08605	5.5
96.08993	0.3
97.06519	0.4
97.10181	0.9
98.21375	0.4
98.98458	6.7
100.98888	0.9
104.10743	3.7
105.07031	0.9
105.11082	1.2
106.05022	0.3
107.08601	1.1
109.10140	1.6
119.08573	0.8
121.10149	1.1
123.11707	0.9
125.00003	32.2
126.00333	4.4
127.00427	7.0
133.10149	0.5
143.01028	0.6
147.11673	0.5
149.09532	0.3
155.01030	0.3
161.13287	0.3
167.50557	0.3
184.07336	100.0
185.07697	39.5
186.07784	28.1
191.29604	0.3
271.63660	0.3
337.27344	20.7
338.27737	1.1
350.26898	0.7
374.28949	0.3
432.57565	0.3
504.33112	1.3
522.34674	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91211	0.8
55.01864	1.0
55.05513	12.2
57.03436	7.3
57.07066	1.5
65.03934	1.3
67.05503	30.5
69.07064	16.6
69.27356	9.8
71.04967	1.2
78.48495	0.9
79.05490	8.5
81.07053	27.3
83.08610	7.9
84.04526	1.1
88.03984	7.1
91.05487	5.4
93.07045	9.5
95.04973	1.0
95.08606	20.9
97.06574	1.5
97.10172	4.0
98.98459	4.6
99.08057	1.0
99.09705	0.9
104.24218	0.9
105.07050	4.5
106.05028	1.2
107.08617	4.1
109.10162	8.0
119.08596	4.2
121.10134	2.9
123.11735	2.2
127.82069	0.8
133.10139	2.4
147.11699	1.3
149.13318	1.1
155.01051	1.1
163.14799	1.0
173.02089	2.4
175.14848	1.3
184.07356	1.7
263.23676	1.8
337.27356	100.0
338.27731	2.3
350.26971	2.0
383.03064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.8
56.00966	0.7
56.05031	7.6
57.05807	1.0
58.91684	0.7
61.01144	5.8
68.05014	6.5
69.03429	1.2
69.49165	5.0
69.49583	1.7
70.06583	2.4
72.08154	100.0
73.08501	0.9
74.06087	4.6
82.06576	0.9
84.04503	3.4
84.08138	1.6
85.07690	0.9
86.09731	1.2
88.03992	4.1
96.04490	3.4
97.02874	0.8
98.20699	1.4
99.09173	0.8
102.05546	2.1
102.90700	0.7
103.05452	1.6
104.05307	5.5
113.07127	73.6
114.07439	0.8
119.04998	1.2
120.06580	8.3
130.05009	8.4
131.04956	1.4
136.03949	1.0
141.06638	1.5
144.06549	1.2
147.04416	1.7
157.06049	0.9
158.10019	2.2
161.07428	26.6
163.03870	0.8
169.09755	2.6
171.07669	0.8
172.04286	1.3
177.05559	0.9
187.10844	3.4
189.06926	43.9
193.12372	1.3
199.07146	0.9
215.10295	11.8
217.08211	17.2
224.49832	0.7
235.09291	7.9
243.11615	6.1
249.85240	0.8
288.13757	6.0
316.15057	10.2
334.16122	2.0
385.33624	0.8
403.16470	4.2
403.22195	0.7
426.98587	0.9
504.21503	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	522.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
60.73137	0.8
61.02919	1.1
65.03928	0.9
67.05505	5.3
69.03436	4.6
71.01345	0.9
71.15560	2.0
72.08138	2.4
73.02915	1.8
76.03994	0.9
79.05473	1.5
81.03409	1.6
81.07035	1.4
84.08134	1.0
85.02899	8.3
91.05440	1.1
93.05791	1.3
97.02888	3.8
101.02367	0.8
105.56432	0.9
106.06533	5.2
108.08111	100.0
113.02338	1.2
116.07062	1.0
123.06817	3.0
124.07586	13.4
125.02357	0.9
127.03900	0.9
129.96149	0.8
131.03391	1.0
134.06013	16.5
136.07567	37.0
137.08408	1.0
141.01836	2.9
145.04991	1.0
152.07057	75.1
153.07402	1.0
154.08629	2.4
155.22392	0.8
166.08603	1.5
170.08162	1.5
184.09682	8.9
314.12323	26.8
346.14951	91.1
347.15378	1.9
389.66708	0.9
490.15598	3.0
522.18182	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02028	1.1
51.02386	1.2
52.59691	1.1
53.03946	2.3
55.01875	1.9
55.05507	18.8
57.03432	3.3
57.07074	28.2
63.63012	1.3
67.05502	33.8
69.03447	2.2
69.07059	13.0
71.04991	3.2
71.08631	18.3
71.44186	2.6
71.44521	1.3
73.02928	1.2
73.39082	1.2
79.05489	24.3
79.05912	2.1
81.03419	2.3
81.07053	35.1
83.04994	3.4
83.08614	16.2
85.06526	1.2
85.10175	9.5
85.67223	1.3
91.05450	12.3
93.07043	34.4
94.22051	1.1
95.04964	6.3
95.08604	51.0
97.02919	4.0
97.06540	4.2
97.10180	5.2
99.04456	1.9
105.07033	9.9
107.04939	8.9
107.08596	21.7
109.06556	1.3
109.10151	15.0
111.04430	1.9
111.08082	1.3
117.07009	7.6
119.08577	11.4
121.06532	4.6
121.10140	13.5
123.11733	4.8
125.06009	2.7
125.13348	1.4
130.07829	2.4
131.08577	2.7
133.10193	2.1
135.08058	2.2
135.11691	39.3
137.13255	1.7
139.07571	1.3
139.11160	1.1
143.08627	1.4
145.10117	21.9
147.11694	5.6
149.13332	1.3
163.11185	53.7
165.12788	2.9
173.09590	1.4
173.11711	1.4
181.12206	13.3
184.07387	1.9
209.11832	4.7
227.12776	100.0
228.13364	1.2
229.14453	2.4
239.23816	2.5
267.16049	2.1
275.20279	2.1
293.21088	9.8
521.38550	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	521.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.1
50.74220	1.2
53.03950	2.2
54.03223	1.1
55.01867	2.4
55.05514	12.8
57.03439	2.6
57.06793	1.5
57.07076	28.9
59.13198	1.1
65.03935	1.5
67.05499	23.0
69.07069	11.3
71.04996	2.5
71.08629	18.2
71.31844	2.2
79.05492	22.6
81.03407	3.1
81.07054	29.6
83.04979	4.2
83.08621	13.2
85.10179	8.5
91.05468	8.5
93.07043	28.0
95.04976	7.1
95.08607	41.2
97.02901	2.2
97.06561	2.6
97.10169	4.0
99.04444	4.0
103.05481	1.6
105.07030	7.3
107.04971	6.5
107.08593	19.7
109.06544	1.9
109.10146	9.4
111.08076	1.6
117.07014	7.9
119.08575	9.4
121.01806	1.2
121.06513	3.1
121.10152	10.9
123.11711	1.8
125.05996	1.8
130.07838	1.1
133.10167	2.9
134.07585	1.2
135.08072	2.4
135.11688	34.3
137.13277	1.6
142.61327	1.2
145.10130	21.0
161.08403	1.2
163.11180	52.4
170.78764	1.2
177.51022	1.1
181.12262	13.9
209.11687	2.8
223.64783	1.4
227.12776	100.0
228.13255	1.2
239.23734	2.6
311.26355	1.3
479.87430	1.4
521.38440	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	521.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
67.05830	0.6
69.03423	0.9
70.02032	2.8
70.06585	0.7
85.02902	2.0
86.09705	1.0
91.05477	1.2
93.06992	0.6
95.04978	1.5
96.11285	0.6
103.05461	56.7
105.07014	0.7
119.04930	2.3
131.04924	100.0
132.05214	1.0
133.06496	0.8
137.05974	12.1
147.04436	3.7
147.05383	0.6
161.05971	1.5
163.07538	32.1
175.07545	1.1
179.07039	1.9
181.08640	0.6
187.07503	0.7
214.04991	1.2
287.05536	1.1
330.06213	1.3
332.17380	0.6
362.08667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
56.05838	0.5
57.03416	0.5
62.17431	0.4
69.03411	0.5
70.06593	1.2
71.58283	0.5
72.08140	0.5
77.03914	0.7
79.05477	0.7
84.04525	0.5
85.02888	1.5
91.05476	1.1
95.04967	2.2
97.02889	0.5
103.05465	54.0
105.04504	0.5
105.07037	3.3
107.04990	0.6
117.07023	0.6
119.04935	1.4
129.10255	0.5
131.04926	100.0
132.05266	0.9
133.06490	3.5
137.05975	5.4
147.04413	1.9
151.03958	0.6
159.07990	0.5
161.05969	8.4
163.07542	27.0
172.33971	0.4
175.07559	1.5
177.05307	0.5
179.07108	0.8
187.07541	1.4
273.12387	1.2
279.10168	0.6
291.10269	0.5
311.12772	1.5
334.73026	0.5
359.07928	0.7
359.14957	0.5
367.75842	0.5
449.90900	0.5
516.25739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.166
Annotation	Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside
Peak:m/z	Relative Intensity
55.01862	0.6
55.05504	1.3
57.03434	0.8
61.02934	0.7
64.91075	0.4
66.03152	0.4
67.05499	2.8
67.83367	0.4
69.03417	2.0
69.07056	1.7
70.06579	2.0
71.04967	0.6
71.57957	0.6
72.08150	0.5
73.02918	1.2
79.05482	1.4
81.03419	1.3
81.07040	3.2
83.04977	0.6
83.08626	1.2
84.08132	0.6
85.02908	4.8
86.09686	1.0
91.05458	2.8
93.07052	2.4
95.01287	0.5
95.04959	1.3
95.08600	2.4
97.02887	2.4
97.10177	1.2
99.04438	0.6
99.90078	0.4
103.05482	2.4
104.33814	0.5
105.07023	2.0
107.04939	1.5
107.08569	1.0
109.02857	0.9
109.06487	0.6
109.10159	1.5
119.04925	1.4
119.08566	2.3
120.08116	1.2
121.02850	1.0
121.06494	1.1
121.10146	1.8
122.03663	0.6
123.04424	1.7
123.11678	0.6
124.05234	0.6
124.53315	0.5
127.03905	1.3
131.04926	4.2
131.08531	0.7
133.02832	0.5
133.06473	0.5
133.10124	0.8
135.04398	0.6
135.11696	0.8
136.06178	1.2
137.02306	1.7
137.05969	7.8
137.09583	0.6
141.01938	0.8
143.08545	0.6
145.10100	0.7
147.04390	2.0
147.11720	0.9
149.02370	0.8
149.05984	1.0
149.13242	0.7
151.03940	5.7
151.07516	1.0
153.01813	1.7
153.05467	0.9
161.05974	1.8
163.03925	1.6
163.07513	1.5
165.01860	5.5
165.05460	1.1
167.07063	3.6
173.05931	0.8
175.03920	0.9
175.07573	0.8
176.04785	0.4
177.05510	1.5
179.07059	1.5
181.04936	1.6
189.09116	0.6
189.11002	0.5
191.03392	0.5
191.07088	0.6
193.05014	0.5
201.05402	0.6
207.06519	1.0
213.05460	1.0
217.19533	1.1
219.10229	0.6
227.07091	0.9
227.10440	0.5
227.12720	0.5
230.05690	0.7
245.08038	1.6
255.06548	0.7
257.04446	0.6
258.05130	1.4
269.04425	1.3
273.07584	5.8
275.20190	0.6
281.04480	1.2
283.02524	0.7
283.05927	1.0
285.03979	1.5
286.04810	2.9
295.05811	0.6
297.03961	2.1
298.04904	0.6
299.05548	1.3
300.06131	1.0
301.07037	10.8
309.03885	1.6
311.05563	0.9
313.03387	1.7
314.04251	2.6
315.08798	0.8
327.05151	0.7
327.25253	2.1
328.05728	1.1
329.06549	30.2
330.06900	1.5
337.03339	1.5
339.05038	4.4
339.08765	0.7
343.08191	4.5
344.08917	46.6
345.09506	1.0
349.23703	0.7
356.34808	0.6
357.09906	1.2
359.11249	100.0
360.11484	2.6
361.06967	0.6
371.05582	1.2
372.06274	1.0
384.06342	0.6
385.07108	1.4
387.04749	1.2
389.06467	1.2
392.11853	0.6
397.07040	1.0
399.04990	1.2
400.05704	1.3
401.07208	0.6
401.12268	2.4
410.12988	1.4
412.05887	1.4
413.06564	2.6
414.07248	0.9
415.04254	0.7
417.05746	0.6
425.06683	1.0
428.05386	1.7
429.05881	0.9
432.05087	0.6
439.04520	0.8
440.05350	0.7
441.06155	0.9
442.07080	0.9
443.07803	2.6
445.05554	1.5
457.05569	1.3
458.06210	1.3
459.07153	2.8
460.03537	0.6
461.05112	0.7
471.07162	6.2
473.04898	2.4
475.06683	2.4
488.07333	0.8
491.09723	16.5
503.09656	19.8
504.09891	1.4
521.10468	4.7
521.16522	26.8
521.25128	1.8
522.16931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
56.05032	1.4
58.06572	1.6
59.07357	0.4
60.08163	16.4
67.05503	2.9
69.07059	1.4
70.28756	0.3
71.07375	6.9
71.20123	0.6
71.59794	0.3
73.16044	0.3
79.05473	1.0
79.21484	0.3
81.07054	2.6
86.09705	50.0
91.05468	0.3
93.07046	1.2
93.50516	0.3
95.08605	1.8
98.98467	5.0
104.10741	96.0
105.06984	0.3
107.08572	0.4
109.10168	0.7
125.00006	27.8
138.54692	0.3
163.01463	0.4
166.02663	0.3
184.07336	100.0
185.07719	0.7
228.85757	0.4
258.10980	1.6
337.27283	1.3
443.25882	0.4
502.32922	8.2
520.33972	21.6
521.34497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52218	0.1
54.02595	0.1
55.05509	0.2
56.05026	0.5
57.03419	0.1
58.06627	0.5
59.07390	0.2
60.08159	7.4
67.05500	0.8
69.07068	0.4
69.95817	0.7
70.06583	0.2
71.07368	3.4
79.05489	0.2
81.07074	0.6
83.08601	0.2
86.09702	34.3
93.07043	0.1
94.46735	0.1
95.08587	0.3
95.69082	0.1
98.98461	3.5
104.10049	0.2
104.10735	3.4
107.08592	0.1
124.99996	23.7
143.01022	0.3
178.67455	0.1
183.73088	0.1
184.07330	100.0
185.07668	0.5
224.47670	0.1
224.76062	0.1
247.36395	0.1
251.28963	0.1
258.11026	0.2
271.81409	0.1
353.97919	0.1
502.32831	1.1
520.34003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01859	1.0
55.05266	0.9
55.05513	11.2
55.07537	0.8
56.96563	2.1
57.03441	8.2
57.07061	1.2
59.30847	0.8
60.04523	1.2
60.08172	1.8
61.02934	1.9
61.08482	1.0
65.03933	1.3
67.05505	38.5
69.03405	1.1
69.07063	12.2
69.31210	7.5
71.04992	1.0
71.07359	1.2
73.02924	1.2
78.63044	0.8
79.05497	19.7
81.07055	32.4
83.04984	1.1
83.08618	4.4
85.02872	0.9
86.09708	12.8
87.10036	2.5
88.03991	7.0
91.05466	9.0
91.18456	0.8
93.05446	0.8
93.07042	22.0
93.07635	1.2
94.07403	1.1
95.04971	2.3
95.08609	24.9
97.06516	1.5
97.10156	1.9
98.98463	6.5
104.10751	1.2
105.07043	7.2
106.05020	1.6
107.08593	9.5
109.06547	0.9
109.10144	8.7
117.07024	2.4
119.08575	5.3
121.10146	6.9
123.08102	0.9
123.11690	1.8
124.99986	9.0
126.00323	1.4
127.00436	1.2
130.86809	0.9
131.08514	4.2
133.10182	3.7
135.11705	4.0
137.51460	0.9
145.10132	2.2
147.11708	2.4
149.13252	2.5
161.13243	1.1
171.09007	0.8
173.02061	0.8
179.38625	0.7
184.07353	27.0
185.07738	9.6
186.07755	7.5
197.44533	0.8
225.49123	0.8
245.11819	0.8
261.22119	1.9
261.61771	0.7
273.10132	1.4
287.25494	0.8
299.74597	0.8
317.94632	0.8
331.15900	1.2
335.25793	100.0
336.26126	1.9
348.25504	2.0
349.16718	4.4
367.17908	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	520.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.9
56.05025	2.4
57.03430	3.7
69.03432	2.7
70.06594	12.1
71.58451	3.4
72.08150	5.0
76.95740	1.9
79.05505	2.5
81.03400	3.4
81.07053	4.1
81.78941	1.9
84.04498	4.2
84.08119	3.7
85.02895	5.9
86.09702	4.4
91.05448	4.3
93.07032	8.4
97.02874	5.5
105.07020	5.3
119.04964	4.4
119.08619	2.0
120.08085	6.6
121.10136	5.1
129.10226	2.7
130.04118	4.9
131.04909	2.3
136.06180	5.7
137.05977	15.9
141.01825	2.5
145.02939	1.9
145.06429	2.0
147.04407	8.1
150.06801	2.6
151.03940	3.5
161.05972	7.4
162.06752	24.6
165.07036	2.2
175.07501	2.7
177.05463	5.2
179.08548	2.7
181.06522	3.1
189.06868	2.6
190.07797	2.0
191.08501	9.3
194.07321	2.4
195.08038	2.9
203.08490	3.2
206.07094	3.0
206.50575	2.3
207.06490	5.6
207.08171	4.3
209.09767	2.1
218.07234	3.5
219.08055	12.7
220.08733	4.2
222.06937	2.4
223.07477	2.5
225.09161	5.7
233.09549	2.8
234.06824	2.5
234.10286	3.1
235.07562	4.9
236.08260	2.0
237.09048	3.8
247.07544	11.0
248.08173	3.5
251.10660	3.0
252.11409	2.1
253.04849	3.3
253.08592	7.7
261.09140	3.6
264.07855	3.5
265.08557	7.2
268.10699	2.7
279.10172	6.5
281.08060	2.9
291.10034	3.9
297.11099	2.9
299.05624	2.5
303.05148	2.1
307.09647	4.1
308.10477	15.3
309.11304	4.7
310.11887	9.5
322.11899	3.4
325.10736	30.1
328.12958	13.4
340.13016	100.0
341.13461	4.4
358.09689	2.5
358.14047	5.8
404.22720	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.5
60.04532	14.9
60.05643	20.6
63.58838	2.0
65.03943	3.9
69.03421	9.6
70.06593	25.5
71.57663	3.5
72.08153	100.0
73.02912	2.7
73.04744	3.5
74.02448	2.1
80.60585	2.0
81.03424	3.5
83.06109	2.3
84.04504	10.9
84.05598	3.1
84.08138	6.9
85.02903	23.1
85.04013	20.6
86.02428	8.8
86.07200	4.6
86.09701	5.3
87.07967	2.9
88.08765	5.0
89.10793	15.6
91.05772	8.6
93.03407	2.2
95.04955	2.9
96.04493	8.4
97.02884	19.9
97.07672	13.2
98.06043	19.6
99.04475	2.7
100.07643	3.8
100.08735	7.2
102.05535	2.5
103.03952	2.5
103.43881	2.2
107.04955	4.4
108.04456	2.5
109.02898	3.2
110.07142	2.8
111.04474	3.4
114.06690	2.2
114.10291	61.1
115.03941	4.1
115.08658	12.5
119.04900	2.7
121.02872	6.8
123.04427	3.5
125.06028	5.6
126.05484	3.9
126.06654	2.3
127.03899	9.5
127.04815	2.3
127.08692	8.8
128.07082	32.5
129.10248	3.5
131.12929	31.3
133.02805	15.1
135.04350	2.6
137.05968	10.9
138.10217	3.4
139.03900	2.8
139.08670	5.7
140.08151	3.9
142.09775	3.3
144.06590	16.5
144.07568	4.4
145.02840	12.7
145.04951	2.8
145.09705	2.2
147.04416	4.4
149.02309	11.2
149.05894	2.7
151.03900	6.2
152.07115	3.0
153.05455	6.3
155.12894	4.2
156.11304	10.2
157.10869	20.6
158.09312	6.2
159.12427	3.7
161.02344	4.7
162.07655	16.2
163.03951	9.9
165.05479	7.5
167.05548	8.8
167.06912	4.4
173.13889	2.1
175.03958	2.9
176.10683	2.5
177.01941	2.3
177.05464	43.6
178.05020	3.5
179.03445	2.8
180.08684	5.1
181.04822	2.5
183.12408	2.5
185.93791	2.2
187.07208	8.7
187.11903	50.8
192.06664	3.4
193.04950	17.4
194.04460	3.0
197.14020	2.8
201.13489	3.8
201.73801	2.6
202.08723	2.4
204.10219	3.6
205.08208	13.0
209.04478	5.8
222.10997	3.4
225.04428	2.5
229.12988	7.0
231.09036	2.4
234.11127	3.4
246.11244	5.3
247.10785	3.1
247.14513	2.4
248.09149	5.5
248.12473	3.5
257.16040	3.7
258.14532	3.4
259.13983	2.8
262.11154	3.0
262.13989	5.4
263.14005	7.4
269.48468	2.3
276.15701	4.0
279.13351	3.0
280.11905	2.5
283.03018	4.0
288.13376	2.8
290.11404	3.4
290.14880	3.2
293.18219	70.0
299.06244	8.5
304.12891	4.7
305.16153	5.3
307.14227	2.4
307.17685	8.5
319.16141	7.2
322.13718	2.4
323.17053	4.5
330.14468	4.7
339.16510	6.9
344.97720	5.0
349.17157	61.9
450.68185	2.2
453.19806	3.9
454.20599	5.3
455.21408	9.4
467.21228	7.1
468.22049	14.5
469.23212	19.0
483.20609	2.8
485.22409	19.9
487.20264	6.4
501.21869	9.5
519.22870	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	519.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.05511	12.3
60.04506	12.8
60.05645	14.3
69.03410	13.6
70.02907	4.2
70.06595	33.5
71.57365	7.8
72.08148	100.0
74.07166	4.3
79.66172	4.7
81.07051	6.1
84.04494	17.6
84.08096	6.6
85.02898	31.0
85.04011	22.2
86.07207	7.1
86.09712	12.0
88.08753	11.5
89.10789	14.0
89.54140	5.0
91.05827	9.3
93.07059	6.6
96.04514	5.2
97.02875	23.5
97.07637	7.2
98.06059	21.1
102.05529	6.1
105.07056	6.0
109.02868	7.9
110.07167	6.6
111.04479	4.5
114.10292	49.8
115.08685	16.9
121.02841	6.2
123.04398	6.6
127.03926	12.5
127.08671	6.4
128.07042	33.8
129.10309	6.3
131.12907	35.7
137.05992	18.8
138.06613	4.4
139.08670	5.2
141.01814	5.5
144.06555	21.8
145.02869	22.8
147.04424	6.3
149.02359	10.7
151.03897	9.6
153.05440	6.9
156.11313	11.5
157.10870	18.4
158.09315	9.3
159.12453	6.2
162.07628	24.2
163.03917	10.0
167.05580	11.8
167.07004	4.8
173.13934	9.3
177.05466	85.4
177.06871	6.7
180.08620	5.3
187.07234	6.9
187.11885	50.3
193.05026	10.8
205.08211	21.1
221.27348	4.6
222.10910	6.0
229.13019	5.8
247.14473	6.0
257.16272	6.8
276.15558	7.6
290.14899	5.0
293.18192	81.0
299.06174	12.9
303.16370	5.1
304.12988	5.2
307.17590	15.7
319.16238	13.5
339.16797	9.3
349.17200	51.9
455.21344	10.7
467.21838	5.5
468.22064	7.9
469.23099	59.5
471.20166	9.4
474.40381	6.1
485.22107	20.0
487.20316	11.4
501.21814	14.5
519.22186	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.05027	1.6
58.06594	1.0
59.07369	0.3
60.08162	17.8
67.05502	2.4
69.07063	0.9
69.70003	2.2
71.07374	6.7
79.05492	1.6
81.07057	2.0
86.09702	54.3
91.05477	1.4
93.07047	2.3
95.08619	2.2
98.98463	4.4
104.10740	97.2
105.07028	0.5
105.11085	0.7
107.08571	0.6
109.10125	0.4
113.00044	0.8
115.88030	0.3
117.83409	0.4
119.08579	0.4
121.10138	0.5
124.99998	28.3
143.53963	0.3
163.01546	0.5
165.10406	0.4
176.77254	0.4
184.07335	100.0
185.07689	0.6
226.41428	0.3
255.45757	0.4
258.11035	1.7
259.57608	0.4
261.55804	0.4
335.25949	1.1
342.72183	0.4
441.24036	0.7
500.31396	6.2
518.32416	16.4
519.32935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.2
56.05039	0.6
56.37129	0.1
57.03421	0.1
58.06629	0.4
59.07389	0.1
60.08162	6.8
66.72383	0.1
67.05493	0.6
69.07051	0.1
69.36037	0.9
70.06579	0.2
71.07372	3.4
74.73370	0.1
79.05483	0.3
81.07043	0.4
86.09705	32.5
87.10053	0.2
91.05466	0.1
93.07045	0.3
95.08599	0.4
98.98466	3.6
98.99118	0.2
104.10744	3.1
105.07055	0.1
109.10111	0.1
114.75340	0.1
116.99448	0.1
119.08544	0.1
125.00002	24.0
127.20728	0.1
143.01041	0.4
175.15367	0.1
184.07336	100.0
185.07675	0.5
185.64645	0.1
258.10999	0.2
335.25638	0.2
403.20380	0.1
500.31305	1.0
518.32294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81786	1.2
51.06591	1.2
55.01893	2.1
55.05515	4.6
57.21960	1.1
62.05787	1.8
62.06095	29.1
67.05506	10.2
69.03424	1.3
69.07080	3.3
69.56906	8.8
70.02938	1.2
70.06574	2.5
71.04999	1.1
76.02231	4.0
79.05496	4.7
81.07061	16.3
83.04978	2.4
83.08612	2.3
84.04494	5.1
84.08138	3.5
85.02930	1.8
86.09711	2.6
88.13438	0.9
91.05488	3.6
93.07040	6.0
94.68937	1.0
95.04949	2.3
95.08606	12.3
97.02891	2.2
97.06536	2.0
98.20741	1.3
104.10786	1.6
105.07010	4.0
107.08595	4.8
109.06503	5.7
109.10177	7.3
111.04449	7.4
111.08096	1.4
116.01678	2.1
119.08554	5.6
120.08125	2.4
121.09290	1.0
121.10143	3.6
123.08068	2.4
125.06001	3.7
130.06802	1.8
131.08553	1.5
131.61926	1.1
133.10141	2.6
135.08035	2.0
135.11693	3.8
136.06163	1.9
137.05983	61.6
137.09622	1.3
144.43416	1.1
145.06076	8.4
145.10190	1.6
146.52757	1.2
147.11693	3.4
149.09589	2.7
151.03917	1.4
151.07562	1.7
151.14824	4.8
157.10107	1.3
161.09627	4.5
161.11813	1.1
161.13258	2.1
162.02234	2.3
163.11166	2.1
165.09138	1.7
167.05409	1.3
175.11191	2.4
177.05692	1.3
179.04825	7.3
179.14337	6.4
184.07376	2.2
203.17967	3.8
213.16435	2.0
231.17493	5.8
233.06027	1.2
241.15884	1.3
245.46129	1.2
249.18535	4.6
276.19626	5.0
277.18015	13.2
295.19083	4.8
308.09119	1.9
320.22208	67.5
321.20352	1.9
338.23270	100.0
339.17484	2.9
356.24161	2.3
518.24414	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3888
Annotation	3beta-Acetoxy-11alpha,13beta-dihydroxyolean-12-one
Peak:m/z	Relative Intensity
55.05505	25.5
57.03424	6.6
58.12355	6.6
67.05505	45.5
69.07059	45.5
70.04389	38.6
71.04985	14.4
77.32700	6.6
79.05489	31.9
81.07048	77.4
83.08630	18.7
85.06516	7.5
91.05486	42.0
93.07034	73.4
95.04969	12.7
95.08607	71.9
97.06554	8.2
97.10162	6.8
105.07034	52.8
107.08575	100.0
109.10165	58.6
111.08060	9.7
113.00014	10.4
119.08587	55.5
121.10134	61.1
123.08065	9.7
123.11682	42.0
125.09629	12.5
127.11208	25.3
131.08588	19.9
133.10120	50.9
135.11684	51.0
137.13235	11.1
143.08482	10.2
145.10152	23.7
147.11707	24.4
149.09636	7.7
149.13242	77.8
153.12732	19.7
157.10139	10.5
159.11746	17.2
161.13315	18.3
163.11247	10.5
163.14792	7.6
167.14328	10.2
171.11713	10.5
173.13232	16.8
175.14813	20.5
179.14333	8.6
187.14877	13.1
189.16420	14.8
191.17964	9.8
201.16425	9.7
211.14803	6.6
225.16466	9.3
246.08578	6.9
289.21454	6.7
317.25024	12.2
405.30084	10.1
421.34732	12.9
439.35718	20.9
457.36829	33.6
499.37677	26.9
517.38837	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
55.05509	8.8
57.03429	4.3
57.07066	2.8
57.22513	0.8
65.03944	0.8
67.05502	16.5
69.07068	11.7
70.91705	0.9
71.04987	1.8
71.08637	5.7
79.05478	10.5
81.03416	1.1
81.07057	23.0
83.05003	2.1
83.08624	5.1
85.02868	1.0
85.06548	1.7
91.05476	9.0
93.07053	13.0
95.04970	2.8
95.08050	1.6
95.08611	17.5
97.06537	3.0
97.10172	2.4
99.08103	3.0
105.07026	12.6
107.04948	1.5
107.08595	12.8
109.06524	12.9
109.10152	7.2
111.08096	1.4
113.00016	100.0
117.07029	1.4
119.08575	14.7
121.06488	1.6
121.10117	6.7
122.07308	0.9
123.08068	24.7
123.11728	2.6
125.09619	1.6
129.06956	1.4
131.01068	1.4
131.08559	4.3
133.10127	10.6
134.09187	1.0
135.08055	13.3
135.11705	2.8
137.09633	2.3
137.13322	1.2
143.08617	1.1
145.10083	5.7
147.08017	1.1
147.11646	7.9
149.09634	2.7
149.13260	3.2
157.10130	1.5
159.11671	6.9
161.09601	2.3
161.13289	2.2
163.11188	1.5
163.14903	1.4
165.09187	1.1
165.12820	1.7
167.14389	2.2
169.02536	1.1
171.11697	1.8
173.13258	1.9
175.14854	8.2
177.12761	5.8
177.16432	3.2
179.14322	31.7
183.11771	1.0
187.03664	12.0
191.14220	1.4
193.15936	1.9
202.85217	1.1
205.15886	5.6
229.88045	1.5
233.18961	1.5
234.17598	1.1
247.20624	1.1
247.43875	0.9
263.20013	1.7
273.13965	1.0
275.20081	3.5
289.21649	6.7
289.24521	1.0
293.21075	1.1
299.05786	1.0
303.26837	2.5
311.43314	1.0
313.25586	1.2
319.22849	1.6
331.22345	2.3
331.26315	42.8
347.26068	2.2
349.23550	1.9
349.27316	7.8
369.27707	1.2
375.29001	2.2
387.29031	5.8
405.29987	57.3
406.30206	2.1
443.31284	1.0
497.70584	1.0
499.27890	2.2
517.29004	2.5
517.35834	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05514	7.5
57.03425	3.5
57.07068	3.6
59.36789	0.9
59.38445	0.9
63.22266	0.9
67.05504	13.6
69.07072	11.4
69.35722	1.2
69.36066	11.0
71.04973	1.2
71.08624	5.6
79.05482	9.0
81.07056	18.5
83.04981	1.2
83.08612	3.7
85.06527	2.7
91.05493	8.3
93.07043	11.2
95.04958	1.4
95.08609	14.5
97.06512	3.7
97.10174	1.3
98.21472	1.8
99.08101	3.0
100.21709	1.0
104.48709	0.9
105.07032	10.4
106.68958	1.0
107.08578	10.8
109.06515	10.0
109.10139	5.7
111.08083	1.6
113.00018	100.0
117.06995	1.9
119.08578	13.1
121.06482	2.2
121.10136	6.6
123.08064	23.6
123.11736	2.9
125.09567	1.6
129.06943	1.1
131.08566	4.3
133.10133	9.9
135.08052	13.8
135.11661	2.7
137.09615	2.0
140.52740	1.1
143.08528	1.7
145.10144	5.6
147.11690	6.8
149.09599	3.7
149.13211	3.5
151.38300	0.9
157.10118	2.3
159.11757	4.8
161.09639	2.5
161.13239	1.1
163.11150	1.2
165.12767	1.6
167.14407	1.5
173.13248	1.8
175.14813	8.2
177.12701	5.7
177.16418	1.8
179.14310	34.2
183.11681	1.1
185.13274	1.4
187.03683	13.8
191.14232	1.6
193.12413	1.0
193.15868	1.8
195.11699	1.5
205.15869	4.4
211.30569	1.1
247.20619	1.5
263.20093	2.4
275.20071	3.5
289.21634	8.7
293.21173	2.0
303.26822	4.6
305.04489	1.1
319.22595	1.5
331.26318	47.0
334.25522	1.0
347.25778	1.7
349.23483	1.5
349.27338	9.5
357.27802	1.9
359.29431	1.3
361.27463	1.8
369.27725	1.6
375.28775	3.6
387.29034	6.2
405.29977	60.2
457.89667	1.0
499.28207	1.9
517.28864	2.4
517.40674	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	517.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.1
55.05506	19.9
65.80516	6.5
67.05506	43.8
69.07073	13.1
71.58982	9.0
75.24868	6.6
79.05491	18.9
81.03438	12.6
81.07054	50.8
83.04967	6.4
83.08604	8.9
91.05473	26.1
93.07041	21.0
95.04958	7.1
95.08595	21.1
103.68771	6.2
105.07002	13.1
107.08618	15.9
109.10175	10.5
113.00005	48.4
117.06956	12.9
119.08564	25.1
121.10149	10.4
121.29667	6.1
123.08069	10.8
127.99205	6.0
131.08522	12.1
133.10135	12.7
135.08049	12.5
143.08585	7.9
145.10121	12.6
147.11676	12.4
150.93199	5.8
175.14862	7.6
179.14320	18.0
184.07408	9.5
207.06461	7.7
213.16110	5.6
229.19594	5.8
259.20859	7.2
275.20224	7.3
331.26279	25.8
337.74680	6.6
349.27393	10.9
405.29855	33.7
470.97501	6.3
517.26025	100.0
517.34961	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17974	3.3
55.05510	58.4
57.03442	25.1
57.07078	49.8
64.92050	3.9
67.05506	82.2
69.03409	4.0
69.07069	88.2
69.26467	38.4
70.10260	3.4
71.04999	5.1
71.08630	28.6
74.14870	3.9
75.04475	6.7
79.05495	41.5
81.07056	100.0
81.10039	3.3
83.08620	79.3
84.28859	3.3
85.06525	3.9
85.10180	13.0
91.05467	14.3
93.07047	45.9
95.08607	94.2
97.06520	17.7
97.10166	43.7
98.21457	8.5
105.07024	12.5
107.08579	37.0
109.10168	47.1
111.08097	10.5
111.11698	12.3
117.07016	4.8
119.08599	10.4
121.10148	42.0
123.11731	22.1
125.09646	10.5
131.08560	10.0
133.10175	4.2
135.11694	36.1
136.26942	3.6
137.13268	8.9
139.11188	10.3
143.08597	4.6
145.10135	8.0
147.11713	4.6
149.13283	18.0
153.12756	6.8
157.12292	4.2
163.14883	11.3
167.14320	4.7
173.13301	6.2
185.13286	5.6
205.19637	4.8
237.22215	3.8
303.30493	13.2
313.28796	6.3
313.70349	3.8
321.31589	17.8
331.30084	20.7
349.30954	55.0
385.28125	4.5
385.33127	70.0
423.34744	47.9
441.35727	54.5
497.38101	13.1
515.38409	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	515.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01864	4.7
55.05509	64.4
57.03437	35.7
57.07073	61.2
59.05007	2.7
67.05502	80.6
69.07067	89.2
69.26340	20.0
71.04996	4.1
71.08631	43.0
73.06557	2.7
75.04474	11.8
79.05486	29.9
81.07053	100.0
83.04978	6.8
83.08613	73.5
85.06530	6.3
85.10184	23.2
91.05463	10.1
93.07027	36.3
95.04951	2.5
95.08607	92.8
97.06537	16.5
97.10168	48.8
99.08085	2.4
99.11723	3.1
101.06022	2.1
105.07024	5.2
107.08594	31.0
109.10152	42.5
109.10837	3.4
111.08076	14.6
111.11713	13.0
113.06008	4.9
113.09560	1.9
115.07562	4.0
119.08563	3.7
121.10140	39.2
123.11698	22.5
125.09651	7.6
125.13281	5.5
129.09117	4.1
131.07063	6.4
131.08586	3.6
133.10123	2.3
135.11684	35.2
137.09650	2.6
137.13261	9.0
139.11168	8.4
139.14842	2.7
143.10667	2.9
147.11775	2.4
149.13272	18.6
150.38640	1.8
151.14825	3.2
153.12737	6.1
157.12263	2.7
161.13260	2.1
163.14798	9.0
167.14291	7.4
167.46478	2.0
171.13792	2.5
175.14908	2.4
177.16441	6.5
181.15816	2.9
185.15242	2.2
191.17996	5.1
195.17451	5.4
209.19051	3.7
219.21065	3.0
223.20624	3.1
233.09779	2.0
237.22092	4.2
245.42545	1.8
249.22215	2.7
251.23740	3.9
303.30405	11.4
313.28806	5.1
321.31448	19.1
331.30014	18.0
344.21417	1.9
349.30994	47.2
367.32227	4.2
385.33099	76.7
423.34695	43.0
441.35742	62.6
497.38406	23.4
515.39313	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	515.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57355	3.2
53.03934	6.6
55.05516	25.5
57.03429	11.0
67.05184	3.9
67.05509	68.6
69.07072	21.2
69.41677	23.2
69.42098	12.7
71.04980	3.8
79.05059	5.8
79.05493	76.8
81.03412	4.7
81.07059	54.9
83.04963	9.6
83.08614	10.3
91.05481	43.6
93.07040	80.2
95.04991	18.0
95.08595	40.1
97.06528	11.0
97.10152	12.8
105.07020	22.8
107.08590	42.8
109.10148	13.0
117.06985	13.9
119.08575	19.3
121.06528	4.5
121.10133	21.0
125.09640	3.6
130.07787	3.4
131.08563	13.8
133.10095	12.3
135.11688	55.0
143.08548	8.4
145.10141	24.1
147.11644	7.5
149.13229	7.2
155.08577	6.0
157.10091	6.8
159.11678	5.3
161.13275	3.7
163.11211	7.2
173.13280	10.0
175.14931	4.0
183.11696	3.8
185.13312	6.2
199.14854	4.2
248.21095	4.2
259.62244	4.0
261.22110	4.5
292.27557	4.1
324.22849	3.7
336.05276	3.6
423.32608	13.2
441.33051	4.1
497.36618	5.9
515.37262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	2.1
53.03941	6.1
55.01853	2.7
55.05512	22.3
57.03424	8.3
57.07072	3.9
65.03931	4.5
65.41625	2.0
67.05505	85.1
69.07066	27.5
69.46403	1.9
71.01357	2.9
71.04991	3.9
79.05492	82.0
81.03399	7.0
81.07058	63.3
83.04967	8.7
83.08614	8.4
85.06538	3.5
91.05483	54.4
93.07040	88.5
95.04958	11.3
95.08601	35.5
97.06553	12.1
97.07058	2.2
97.10160	10.2
99.08080	3.2
102.70068	2.3
105.07026	26.7
107.08595	43.0
109.06469	2.8
109.10148	13.2
115.05402	2.6
117.07018	18.7
119.08576	26.1
121.06532	3.1
121.10144	27.5
123.11726	2.9
125.09606	2.8
129.06992	5.1
131.08543	19.3
133.10123	16.5
135.11693	55.9
135.48386	2.4
137.09637	2.5
143.08578	7.8
145.10110	19.6
147.11685	9.5
149.13278	4.1
153.12717	2.6
155.08644	3.2
157.10139	3.4
159.11699	10.7
161.13158	4.7
163.11156	6.7
169.10139	4.8
171.11702	4.0
173.13277	8.9
181.12209	6.3
185.13312	5.0
187.14799	2.0
190.92537	2.2
195.11601	3.0
197.13318	4.6
201.16466	2.7
223.66429	2.8
229.94817	2.2
261.22192	4.1
335.25952	2.3
405.31448	3.6
423.32437	6.6
497.36078	4.7
515.37280	100.0
516.37463	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27326	4.3
55.05516	30.7
57.03426	11.8
59.92697	5.0
60.12337	4.7
61.02913	8.1
67.05503	97.4
69.03418	10.8
69.07056	22.1
69.32906	38.8
69.33332	14.5
73.02894	7.8
79.05492	53.7
81.03407	8.0
81.06586	6.6
81.07055	100.0
83.08620	12.3
85.02882	15.1
91.05486	35.5
93.07045	67.5
95.04968	11.9
95.08613	78.1
97.02911	8.4
97.06509	7.1
98.21436	9.6
99.08102	8.7
99.31374	4.7
99.74663	5.6
104.10743	11.0
105.07040	32.6
105.11124	5.8
107.08591	52.8
109.06491	11.6
109.10131	31.4
111.08109	6.1
117.07003	17.9
119.08561	24.9
120.94423	4.6
121.10149	33.7
122.78881	4.6
123.11681	19.5
127.03906	7.5
130.34590	5.8
130.61070	5.8
131.08556	26.9
133.10095	20.3
135.08049	7.6
135.11708	31.6
140.32974	4.7
141.06952	5.8
141.50914	6.1
143.08502	7.6
145.10112	14.0
147.11684	14.8
149.09592	6.8
149.13271	21.8
159.11729	18.9
161.09608	4.9
161.13234	11.3
163.14838	10.9
173.13269	20.3
184.07347	5.5
187.14908	6.4
226.20444	5.0
243.21010	15.0
261.22144	63.3
335.25851	19.7
419.27829	6.0
461.28397	6.4
497.31055	9.2
515.37384	21.3
525.73889	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11304	6.5
53.03941	8.9
55.05502	22.7
57.03414	8.6
61.02942	11.4
67.05503	100.0
69.03407	21.6
69.07063	23.2
69.69530	6.3
70.15652	34.4
71.05008	8.5
71.08601	6.0
71.30704	6.2
79.05495	75.8
79.61587	6.5
81.03408	15.8
81.07050	95.3
83.04961	7.3
83.08607	9.6
85.02902	10.0
86.06035	7.2
86.09674	6.5
87.48645	6.7
91.05478	65.2
93.07040	67.7
95.04982	21.3
95.08609	78.3
97.02911	11.0
97.06509	8.9
97.10149	8.0
99.87577	7.3
105.07027	45.4
107.08558	40.3
109.06519	14.5
109.10183	29.5
113.00036	14.8
117.07005	23.2
119.08585	33.0
121.06448	8.3
121.10138	41.4
123.08031	8.5
123.11726	12.9
125.09519	7.3
127.03854	7.5
129.06976	15.4
131.08534	43.0
133.10143	22.4
135.08009	8.7
135.11699	24.1
143.08575	20.6
145.10135	24.6
147.11713	15.2
149.13257	31.6
159.11707	24.7
161.13303	21.2
163.14796	12.0
169.94254	6.7
171.11632	11.0
173.09604	7.6
173.13277	19.2
175.14771	6.4
184.07173	7.6
187.14775	16.1
199.14909	9.5
203.54529	7.7
243.21085	17.6
259.20609	8.1
261.22083	51.7
277.13644	9.1
301.21674	7.8
345.24243	8.4
353.26913	16.4
358.16510	43.4
369.24216	8.8
515.24841	10.6
515.37256	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
53.84197	4.1
55.05515	22.5
55.13445	4.7
57.03429	17.7
57.07053	5.8
61.02914	5.8
64.94170	4.3
65.03934	7.3
67.05505	84.8
69.03435	10.3
69.07058	20.4
71.04991	7.6
79.05487	53.0
81.03399	10.3
81.07052	100.0
83.04979	7.2
83.08619	9.2
85.02889	15.2
91.05490	44.8
93.07043	66.9
95.04977	9.4
95.08601	70.9
97.02873	8.0
97.06503	5.2
97.10146	8.4
98.20750	15.8
99.08110	5.4
104.79897	4.7
105.07021	33.5
107.08587	46.5
109.02846	4.9
109.06526	13.1
109.10159	33.5
111.08066	7.0
111.11668	4.3
112.36720	5.2
117.07010	11.5
119.08572	19.7
121.06474	5.9
121.10151	36.0
123.08044	10.0
123.11694	19.8
127.03914	5.1
127.38687	4.5
129.06989	5.4
131.08580	23.0
133.04990	4.4
133.10127	24.1
135.08057	7.8
135.11734	26.0
137.13208	5.3
143.08517	8.1
145.10149	28.3
147.11676	13.6
149.09459	5.6
149.13249	17.1
153.62961	4.8
155.08661	4.2
157.10161	9.6
159.11676	19.2
161.09682	4.7
161.13214	7.4
163.11147	6.6
163.14825	12.9
171.11691	11.9
173.13319	10.1
175.11253	4.5
175.14864	6.3
177.12715	6.6
183.11745	6.5
187.14789	5.0
236.21906	5.6
243.21063	19.3
255.21213	6.4
261.22141	47.1
275.23721	4.9
331.77725	4.2
335.25687	20.7
345.24130	7.2
353.26819	17.4
369.24518	6.6
419.27649	7.8
497.31021	12.8
515.26019	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	515.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	4.2
69.03433	2.5
69.07056	2.9
69.86460	9.8
70.06590	3.2
71.94228	1.4
79.05498	2.8
81.03423	4.1
81.07053	10.2
84.08157	1.8
84.81568	1.4
85.02902	4.4
86.09706	1.9
89.03934	2.2
91.05472	6.8
93.07042	3.5
95.04960	2.4
95.08591	4.5
97.02880	3.0
98.20832	2.0
99.04397	1.6
105.07056	2.4
107.08635	2.2
109.02869	1.8
115.67228	1.7
117.03375	5.9
119.04940	2.4
119.08601	2.0
121.10143	2.7
121.59283	1.5
124.57953	1.3
144.65660	1.7
145.02817	8.1
145.10127	2.0
147.04373	7.7
175.03899	2.3
177.05397	12.5
185.04251	3.4
199.02202	4.3
201.03683	36.0
201.05525	2.2
203.05246	73.6
207.06558	2.8
213.15433	1.7
263.66092	1.6
307.09903	1.8
315.04694	2.0
339.17767	100.0
340.18115	2.2
361.07587	4.1
361.68539	1.7
377.06888	22.1
379.08450	49.7
380.09106	1.7
383.11166	5.8
515.20984	73.3
516.21692	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	515.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	4.2
69.03433	2.5
69.07056	2.9
69.86460	9.8
70.06590	3.2
71.94228	1.4
79.05498	2.8
81.03423	4.1
81.07053	10.2
84.08157	1.8
84.81568	1.4
85.02902	4.4
86.09706	1.9
89.03934	2.2
91.05472	6.8
93.07042	3.5
95.04960	2.4
95.08591	4.5
97.02880	3.0
98.20832	2.0
99.04397	1.6
105.07056	2.4
107.08635	2.2
109.02869	1.8
115.67228	1.7
117.03375	5.9
119.04940	2.4
119.08601	2.0
121.10143	2.7
121.59283	1.5
124.57953	1.3
144.65660	1.7
145.02817	8.1
145.10127	2.0
147.04373	7.7
175.03899	2.3
177.05397	12.5
185.04251	3.4
199.02202	4.3
201.03683	36.0
201.05525	2.2
203.05246	73.6
207.06558	2.8
213.15433	1.7
263.66092	1.6
307.09903	1.8
315.04694	2.0
339.17767	100.0
340.18115	2.2
361.07587	4.1
361.68539	1.7
377.06888	22.1
379.08450	49.7
380.09106	1.7
383.11166	5.8
515.20984	73.3
516.21692	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	514.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
67.05496	3.5
68.05024	2.2
69.03412	2.1
69.07059	9.2
70.06586	8.7
71.57475	2.1
72.08145	3.5
79.05436	1.6
79.18726	1.3
80.05014	2.9
80.76918	1.4
81.07035	1.8
84.04516	2.4
84.08131	3.0
85.02899	2.5
86.09712	6.9
89.07198	2.0
91.05466	4.2
91.21382	1.2
93.07020	2.8
94.06563	16.7
95.04954	3.2
98.06054	2.6
105.05778	1.8
108.04472	30.4
109.02868	1.6
112.07600	3.7
118.06483	2.1
119.04912	2.2
122.06020	48.2
123.04427	3.1
124.07635	1.9
129.10228	1.8
140.07057	100.0
144.04457	3.4
145.05188	1.4
146.06004	46.4
147.04385	4.4
148.07576	1.8
149.09610	1.4
150.05486	5.1
162.05466	2.5
168.06566	25.6
170.08083	2.1
172.03923	15.6
173.04800	6.9
173.86090	1.3
174.05505	66.4
176.07059	1.5
177.05379	2.0
191.05768	14.5
192.06534	7.6
194.81639	1.9
204.06554	24.5
206.08113	18.0
207.06483	2.6
252.09166	1.6
259.08469	1.5
267.11362	2.8
281.09198	4.0
285.12354	10.8
295.10733	3.3
297.12366	5.4
299.10324	10.2
300.10944	2.2
313.11819	67.5
314.12360	2.4
323.10083	1.6
324.10999	5.4
331.12933	18.8
341.11298	42.8
345.14536	4.2
356.13641	3.2
359.12347	2.7
373.14029	11.5
440.18170	8.1
446.17737	1.6
451.50613	1.5
464.18198	4.9
473.70917	1.4
482.19232	90.0
483.19409	4.2
496.20691	5.2
500.20459	7.8
514.21301	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	513.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78934	1.1
53.03936	2.5
55.01855	1.7
55.05510	15.4
57.07069	5.5
67.05502	24.5
69.07063	11.1
70.06592	3.4
71.04995	2.5
71.08611	1.8
74.96281	1.1
79.05492	19.6
81.03431	1.2
81.07059	25.8
82.07439	1.1
83.04975	3.2
83.08605	7.5
85.06530	1.8
88.07633	2.9
90.89635	1.2
91.05480	22.3
92.10348	1.2
93.07044	19.8
95.04969	4.0
95.08607	17.6
97.06543	2.8
97.10173	3.7
102.09182	1.9
105.07024	19.5
107.08594	12.5
109.10165	6.2
111.08099	1.7
115.05462	1.3
117.07037	14.2
119.08585	19.8
121.10172	5.1
123.08067	2.4
123.11732	1.8
125.09624	1.9
128.06245	3.2
129.07002	13.9
130.07777	1.6
131.08571	18.8
133.10135	15.0
135.08049	1.5
135.11697	5.2
141.07002	5.3
142.07806	3.0
143.08560	18.0
145.10109	16.5
147.11714	5.6
149.13222	1.8
153.07175	1.1
154.07748	2.1
155.08569	9.4
156.09326	1.9
157.10132	16.3
159.08110	1.8
159.11703	14.5
161.13319	2.6
167.08557	2.9
168.09404	1.5
169.10147	13.2
171.11676	13.9
173.13234	8.9
179.08540	2.1
181.10130	5.2
183.11662	13.2
185.13271	8.4
187.14870	4.2
195.11716	5.9
197.13280	8.1
199.14807	5.0
207.11723	2.8
209.13309	4.9
211.14838	5.0
213.16362	3.4
221.13411	1.4
223.14832	4.6
225.16425	1.7
233.15555	1.2
235.14905	2.0
236.73602	1.4
239.18024	1.5
251.17973	2.3
256.26416	5.4
257.26678	3.5
261.18555	2.6
275.20337	2.8
277.19409	1.9
283.26309	4.4
284.26703	5.4
297.22134	1.6
309.22195	1.6
311.23697	1.6
315.23209	2.6
323.23767	2.6
327.23404	1.5
339.23309	2.3
353.24524	1.8
390.83896	1.4
393.31894	1.5
403.30054	6.1
421.30966	19.5
439.31952	7.5
457.33060	4.0
477.33664	2.0
495.34903	6.9
512.50885	1.7
513.35785	100.0
513.50641	19.4
514.36011	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01857	4.5
55.05305	2.5
55.05514	26.4
57.03437	29.8
57.07072	14.4
58.66083	2.2
61.02927	3.0
64.68121	2.4
65.03942	3.1
67.05504	93.5
69.03429	11.0
69.07069	37.9
71.01357	20.5
71.05006	4.3
71.08620	8.0
73.02931	20.8
75.04453	3.2
79.05497	35.8
81.07058	100.0
81.62851	2.1
83.01312	3.0
83.04980	6.3
83.08611	29.5
84.74672	2.0
85.02907	55.5
85.10155	2.1
87.05579	5.2
88.07633	6.4
91.05485	24.5
93.07039	38.5
95.01336	15.9
95.04956	4.6
95.08609	87.8
97.02898	32.1
97.06520	8.1
97.10181	14.7
99.04449	2.5
99.08102	3.9
100.71163	2.8
101.02369	7.3
102.09172	3.4
103.03966	14.7
105.07036	17.9
107.08598	22.8
109.06519	3.5
109.10152	38.3
111.08025	2.9
111.11758	2.7
113.02367	20.1
114.87044	2.4
115.03987	4.3
117.05479	2.1
117.07052	3.2
119.08582	19.2
121.10143	25.6
123.00777	5.5
123.11710	18.9
131.03421	13.3
131.08574	5.5
133.10118	14.0
135.11687	11.0
137.13235	9.3
139.57347	2.6
141.01822	30.3
143.08524	3.0
145.10123	3.4
147.08043	2.6
147.11632	11.9
149.13280	12.1
151.14832	3.3
159.02893	9.0
159.06488	2.7
159.11612	2.5
161.13249	10.0
163.14790	8.9
165.16385	4.9
169.05011	6.9
173.13264	3.3
175.14847	9.2
179.14372	4.2
187.06075	3.5
188.58647	2.2
189.16394	3.6
215.05508	8.8
216.78311	2.4
245.22675	15.5
256.26300	11.8
257.26581	4.4
263.23730	28.7
283.26331	8.0
284.26593	5.8
305.24695	4.2
337.27411	55.7
405.32434	2.5
428.76932	2.3
486.93851	3.0
512.50488	20.8
513.30066	16.2
513.50781	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55322	2.8
53.03943	10.8
53.28802	3.0
55.01870	12.7
55.05511	40.2
57.03436	33.7
57.07074	7.7
59.04986	4.0
61.02935	27.2
65.03947	3.3
67.05501	100.0
69.03426	30.0
69.07063	36.4
70.06595	3.8
71.01362	5.6
71.04987	14.5
71.08627	15.1
73.02924	17.6
75.04488	3.7
79.05491	74.4
81.03416	36.4
81.07050	95.8
83.04972	10.4
83.08623	26.4
85.02894	33.4
85.06526	4.6
91.03963	13.2
91.05483	58.1
93.07037	84.5
95.04980	19.4
95.08604	64.8
97.02879	41.3
97.06514	20.4
97.10178	11.4
99.04462	8.7
99.08100	12.5
101.02349	8.2
103.03933	7.3
105.07024	49.7
107.04945	7.3
107.08595	58.0
107.09296	5.7
109.02888	6.9
109.06544	7.4
109.10154	44.4
111.04443	6.1
111.08059	4.9
115.03905	4.1
117.07027	11.5
119.08578	40.0
121.06496	4.0
121.10139	39.5
123.08061	9.6
123.11714	7.3
125.09650	4.6
127.03902	18.9
128.35458	3.3
129.05492	6.1
129.07008	9.9
131.08524	20.5
133.10133	34.9
135.11674	38.6
137.09616	6.4
141.07074	3.3
143.08592	8.8
145.05029	3.6
145.10085	19.8
147.07933	3.5
147.11681	24.1
149.09647	3.8
149.13216	24.1
151.11166	9.4
157.10164	9.5
159.11684	17.2
161.13225	22.5
163.11232	6.7
163.14806	4.2
165.12805	3.4
171.11720	10.6
172.94240	3.0
173.11806	7.6
173.13277	10.4
175.14854	7.4
177.12776	5.4
179.14296	58.7
183.06552	4.7
183.11748	5.0
185.13304	6.6
187.14726	6.7
189.11223	4.1
189.12825	4.8
191.40317	3.0
195.11594	3.7
195.13785	3.6
199.14804	5.4
221.15434	5.1
229.14368	4.6
241.19446	7.6
253.18138	3.4
259.20587	24.3
264.21753	3.2
277.21606	60.1
277.24356	5.3
333.24271	5.9
351.25278	50.6
367.22156	4.2
379.24927	4.3
459.27206	5.0
513.29669	6.0
513.36340	5.5
515.30499	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28577	2.7
53.03941	6.1
55.01862	14.3
55.05508	33.0
57.03436	42.0
58.63035	3.5
61.02916	22.0
65.03925	4.6
67.05503	97.3
69.03430	32.8
69.07066	28.1
70.16904	16.4
71.01358	4.9
71.04990	23.9
73.02913	12.3
79.05072	6.2
79.05496	79.2
81.03411	29.5
81.07049	100.0
83.04983	9.7
83.08626	18.2
84.47203	3.4
85.02900	32.5
85.06532	9.8
91.03936	9.7
91.05480	63.1
93.07044	89.8
95.04973	22.2
95.08608	68.3
97.02890	34.0
97.06516	9.9
97.10172	6.2
99.04459	7.1
99.08070	4.3
101.02354	11.8
105.07031	47.5
107.04965	3.8
107.08594	54.5
109.02870	10.8
109.06551	7.0
109.10149	29.7
111.08074	8.0
115.03935	4.6
117.07037	22.4
119.08576	43.9
121.06515	4.4
121.10139	45.0
123.08037	10.1
123.11665	6.3
125.09620	4.8
126.12173	3.2
127.03876	16.9
129.05475	14.3
129.07034	9.7
131.08572	29.1
133.10118	35.6
135.08067	5.4
135.11702	35.3
137.09621	6.7
143.08569	11.3
145.04980	7.2
145.10126	23.7
147.11690	26.4
149.09622	7.1
149.13182	17.1
157.10109	9.6
159.11687	22.6
161.13254	20.0
163.14796	5.3
165.12727	3.8
170.08189	3.2
171.11656	12.9
173.11848	4.0
173.13277	11.1
175.14787	7.7
177.12706	5.3
185.13298	7.2
187.14818	12.7
195.13760	4.4
199.14772	5.1
201.07544	4.1
205.15799	4.3
213.16345	3.3
229.14331	6.2
241.19514	10.9
259.20563	36.8
260.86722	3.7
271.61765	3.4
277.21564	35.4
278.22079	4.1
283.26401	3.7
293.20908	5.3
301.21524	4.2
333.24277	7.3
351.25293	42.3
387.43109	3.3
513.30957	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.6
55.05509	28.5
56.48474	6.0
57.03436	23.2
57.07059	10.4
61.02927	24.2
67.05507	83.6
69.03429	22.2
69.07057	20.2
69.61370	56.8
71.04996	9.9
73.02918	6.7
79.05500	80.3
81.03427	20.0
81.07057	93.1
83.05011	8.7
83.08576	15.9
85.02898	30.5
87.48289	7.1
91.03928	13.3
91.05477	96.3
93.07035	98.0
95.04982	17.9
95.08609	47.8
97.02889	28.1
97.06510	6.6
98.20749	12.9
99.08111	8.8
105.07041	87.3
107.08602	61.2
109.10162	36.7
111.04454	6.9
111.08115	9.7
117.06995	37.5
119.08570	99.4
121.10150	47.6
121.32852	6.6
123.11697	7.9
127.03916	15.2
128.06258	10.4
129.05421	9.4
129.06967	24.0
131.08575	64.9
133.10129	87.5
135.11739	50.0
143.08577	30.1
145.10124	58.1
147.11699	77.8
149.13274	25.6
157.10104	28.7
159.11690	55.7
161.13283	40.8
171.11685	25.4
173.13248	37.7
175.14839	23.4
183.11661	13.0
185.13254	16.3
187.14746	9.0
197.13202	8.4
199.14986	13.6
213.16548	10.5
231.21107	16.1
241.19527	51.1
257.19055	21.9
259.20587	95.0
271.20782	11.0
275.20145	8.8
277.21667	11.9
301.21640	12.8
319.22775	9.1
351.25278	100.0
367.22607	24.0
385.23761	31.9
403.24759	41.8
421.25839	56.4
495.29892	11.9
513.50623	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85546	1.7
53.03939	5.9
55.01873	4.8
55.05514	21.3
57.03438	14.6
57.07076	2.9
58.62455	1.9
61.02929	23.6
65.03949	2.4
67.05505	52.8
69.03439	14.6
69.07077	15.0
71.04991	3.7
71.08632	6.7
71.58673	2.8
73.02921	8.8
75.04497	2.3
79.05494	49.5
81.03426	13.4
81.06580	3.5
81.07059	63.2
83.04974	6.7
83.08622	9.2
84.08164	1.9
85.02905	27.2
85.06550	3.6
91.03963	10.4
91.05479	41.0
91.06013	2.7
93.07043	72.2
95.04424	1.5
95.04941	9.4
95.08608	38.5
97.02897	20.1
97.06541	7.2
97.10165	6.6
98.78563	2.0
99.04444	3.1
99.08096	8.4
101.02378	2.3
103.05464	2.1
105.07034	41.7
107.04994	3.8
107.08598	44.5
109.02886	4.0
109.06503	5.6
109.10151	18.2
111.04432	3.5
111.08071	2.8
115.05445	1.8
117.07037	13.4
119.08586	40.6
121.06483	3.6
121.10146	36.8
123.08085	3.8
123.11683	4.3
125.09616	3.1
127.03916	9.1
129.05467	3.6
129.07007	7.2
131.08557	20.5
133.10130	32.8
135.08096	3.1
135.11685	35.3
137.09601	3.6
139.11168	1.7
143.08553	10.0
145.06400	2.5
145.10127	23.6
147.08092	2.7
147.11690	29.0
149.09644	2.3
149.13280	20.9
151.11163	5.9
157.10146	8.6
159.11702	19.6
161.09592	2.4
161.13271	26.1
163.11165	4.3
163.14864	7.2
169.10162	1.8
171.11673	11.8
173.13231	13.4
175.11194	3.2
175.14833	10.1
177.12817	5.2
177.16399	2.2
179.14342	20.1
183.11667	2.8
185.13280	9.9
187.14809	3.7
189.12833	3.3
191.14436	2.0
197.13177	2.9
199.14835	7.6
203.14207	2.2
207.13837	2.2
213.16457	4.6
217.19441	2.7
221.15199	2.1
227.14301	2.1
231.21103	3.9
235.11243	2.0
235.16931	3.0
241.19478	22.9
259.20587	51.8
261.14435	2.3
275.20099	3.0
277.21661	28.0
333.24203	5.4
349.23828	3.7
351.25290	100.0
352.25696	3.9
367.22864	2.9
385.23923	2.7
403.24606	2.1
417.26599	2.3
441.26602	5.4
459.27319	5.6
477.28473	2.7
495.29382	5.5
512.49872	2.2
513.13501	2.9
513.29816	3.9
513.50848	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.3
55.05502	14.7
57.03435	4.4
61.02909	18.0
67.05498	34.4
69.03414	10.4
69.07056	13.4
69.43967	15.0
69.44395	23.9
73.02911	9.4
75.39602	3.4
79.05497	37.3
81.03416	8.3
81.07050	42.2
83.08606	9.0
85.02901	21.2
90.03471	4.0
91.03952	11.6
91.05472	40.4
93.07032	46.1
93.18563	4.0
95.04961	10.0
95.08609	24.5
97.02877	14.0
97.06504	6.3
98.20804	8.0
105.07037	44.2
107.08595	29.1
109.06465	6.3
109.10163	10.8
110.36469	4.1
117.07017	18.3
117.41415	4.9
119.08588	41.9
121.10116	24.9
127.03970	5.8
127.74629	4.1
129.06984	8.4
131.08562	22.5
133.06517	5.3
133.10139	30.0
135.11734	24.9
141.07028	5.2
143.08557	12.4
145.10158	20.3
147.11694	33.5
149.13275	10.7
155.27161	3.7
157.10074	9.4
159.11678	21.2
161.13217	26.4
161.98015	4.4
163.14763	4.6
171.11694	15.6
173.13300	18.1
175.14848	11.0
183.11743	5.5
185.09705	3.9
185.13261	15.9
187.14885	4.9
199.14824	5.0
231.21098	8.7
241.19518	28.9
241.98370	3.8
259.20557	60.4
259.93826	4.1
271.20575	6.8
282.09012	4.4
342.87961	3.8
349.23840	7.2
351.25290	100.0
363.25201	6.4
375.25381	5.0
441.26691	4.7
459.27448	5.6
477.28339	5.3
489.31897	4.2
495.29364	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	513.3057
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
55.05510	11.7
57.03439	7.7
61.02928	14.6
61.89051	3.1
67.05499	25.2
69.03408	9.4
69.07057	10.2
69.43506	6.2
69.43915	18.1
71.04971	2.8
73.02899	4.7
77.98045	2.5
79.05491	31.9
81.03423	5.2
81.07052	29.8
83.04977	2.8
83.08618	3.1
85.02897	13.2
91.03940	8.6
91.05475	28.1
93.07045	48.7
95.04965	6.5
95.08598	21.9
97.02891	9.4
97.06544	4.5
97.10172	2.8
98.21608	3.6
105.07035	30.4
107.08587	21.4
109.06546	3.3
109.10146	8.3
117.07026	8.1
119.08569	29.8
121.10166	25.6
129.07028	5.9
131.08580	17.3
133.10135	21.3
135.11700	18.0
143.08553	6.0
145.10129	14.9
147.11668	29.4
149.13278	18.1
155.08623	3.1
155.74347	3.5
157.10068	6.8
159.11656	13.7
161.13271	17.3
163.14830	5.0
171.11725	10.2
173.13327	13.4
175.14847	12.4
183.11726	3.3
185.13274	8.5
199.14888	4.4
231.21091	5.0
241.19513	23.9
259.20575	48.4
275.19995	4.4
277.21671	5.4
309.45313	3.0
333.24118	8.0
349.23706	5.1
351.25278	100.0
441.26178	5.6
477.28342	5.7
495.16452	3.4
495.29593	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01846	1.3
55.05512	8.3
57.03423	5.7
57.07066	2.2
60.26844	1.4
61.02923	14.5
65.03929	1.5
67.05500	26.5
69.03410	5.4
69.07066	8.9
71.04985	3.1
73.02901	5.2
74.18368	1.3
75.04464	1.9
79.05072	2.4
79.05493	32.4
81.03400	4.4
81.06594	2.1
81.07053	31.9
82.04612	1.6
83.04961	2.3
83.08601	5.8
85.02898	13.7
85.06556	1.9
91.03959	6.9
91.05477	23.6
93.06472	2.7
93.07039	41.3
95.04960	4.0
95.08605	19.2
97.02885	9.9
97.06525	3.3
97.10169	2.1
99.08083	2.6
105.07030	30.7
107.08583	25.6
109.06496	2.8
109.10146	9.0
117.07016	9.0
119.08569	25.2
121.06468	1.6
121.10143	23.9
123.08054	2.7
123.11694	2.4
127.03900	3.1
129.05521	1.4
129.06952	6.2
131.08560	15.1
133.10127	27.8
135.11691	21.1
137.09592	2.7
143.08513	6.0
145.10143	13.5
147.11682	25.8
149.09579	2.9
149.13240	16.4
151.11255	2.0
155.08569	2.1
157.10149	6.6
159.11705	14.6
161.09683	1.8
161.13251	22.4
161.14452	2.2
163.11137	3.5
163.14796	4.6
165.12807	1.6
169.10080	3.5
171.11688	8.2
173.13281	8.4
175.11151	2.6
175.14795	11.4
177.12724	1.4
179.14294	1.3
183.11679	1.6
185.13257	7.5
187.14807	4.4
189.12755	2.1
191.14368	1.5
199.14815	3.8
203.14284	2.5
211.14719	1.8
213.16331	1.4
215.17955	1.6
217.15782	1.4
217.19524	2.0
221.13333	1.8
221.15437	1.5
231.17410	1.7
231.21068	4.7
240.27934	1.3
241.19495	19.9
257.19070	1.6
259.20569	45.9
271.20499	1.9
275.20181	2.9
277.21664	8.8
331.22913	1.4
333.24301	9.7
349.23706	5.8
351.25278	100.0
352.25565	2.5
355.22876	1.6
361.23843	1.8
363.25131	2.2
367.22519	3.6
375.25156	2.4
385.23920	2.6
403.24710	1.5
417.25815	1.7
429.26587	1.4
441.26273	5.0
459.27304	3.9
477.28174	4.8
495.16690	1.4
495.29440	5.8
513.30237	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	3.6
58.13184	1.8
70.19196	8.6
72.08138	2.2
84.08118	9.0
88.14992	1.9
97.02826	2.3
98.97539	7.2
110.97556	2.5
114.10234	2.8
116.98587	4.2
119.01830	2.2
120.03232	3.7
121.01610	4.5
123.29563	2.1
130.08598	7.4
131.00142	2.0
131.12863	3.3
133.01657	2.1
133.03453	2.6
134.99678	2.2
138.04242	2.1
145.02800	3.5
146.99579	2.5
149.01152	2.1
158.99550	2.5
161.02924	3.6
163.02632	3.4
171.04941	2.8
175.03885	2.8
185.02878	6.1
185.04507	3.0
186.03143	2.1
187.02647	2.7
189.01810	6.6
203.03960	3.4
207.02936	10.5
207.06491	11.4
229.06804	2.4
230.05017	3.4
231.02988	4.5
231.06462	8.7
237.02568	2.5
243.06473	2.2
245.05116	11.2
246.05106	6.1
247.04750	6.9
249.03992	2.5
249.07559	2.7
261.02704	3.2
279.03922	2.5
291.08545	4.8
321.10361	3.8
333.05603	6.9
333.09445	4.5
337.18381	3.0
351.06619	14.2
351.10693	3.6
513.11902	100.0
514.12299	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.3
57.07074	16.4
58.06573	1.6
62.01801	0.9
66.32821	0.8
67.05497	1.7
69.07053	2.6
69.76761	0.8
70.06588	15.9
71.08636	10.2
71.15923	2.0
73.02899	2.3
73.70497	0.8
77.82838	0.9
81.07061	3.0
83.08601	2.1
85.10160	4.0
88.07629	19.9
89.06043	1.1
93.88737	0.8
95.08591	2.9
97.10190	0.9
99.96452	0.8
102.09164	13.9
109.10141	1.6
125.02601	0.9
133.08607	1.3
140.43405	0.7
141.33157	0.8
154.44925	0.7
160.51978	0.7
173.14038	0.9
228.23212	3.7
256.26349	50.4
274.27405	4.8
283.26309	50.6
308.95090	1.1
311.29498	3.5
512.50360	100.0
513.50537	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	512.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46766	1.6
53.03937	2.2
55.01864	4.6
55.05494	2.3
57.03441	3.3
61.02913	2.0
67.05489	4.6
69.03426	5.6
70.06592	13.6
71.58334	3.0
72.08135	5.8
73.02913	27.2
79.05489	11.6
81.07068	5.6
84.04498	3.5
84.08155	3.1
85.02896	7.6
86.09689	2.7
87.05600	1.8
91.05470	42.2
91.06017	2.9
92.55171	1.7
93.06477	3.9
93.07036	54.5
95.04971	5.9
95.08607	9.5
97.02895	7.9
105.07021	5.2
107.08612	3.2
109.06490	2.7
110.07185	4.1
111.04440	5.9
114.10295	2.4
115.03917	5.0
117.03386	1.9
117.07005	8.2
119.08573	100.0
120.08899	3.0
121.06426	2.1
121.10143	7.5
123.04438	6.1
127.03926	3.0
129.06981	4.7
137.05992	4.9
137.09605	16.7
147.08038	56.1
153.09097	11.9
165.09105	99.7
166.09517	2.6
177.05492	5.2
183.10158	7.5
213.12212	3.1
328.67639	2.0
510.22516	2.0
510.48953	1.9
512.26514	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	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95823	2.3
53.03938	7.6
55.01866	12.3
55.05503	17.8
56.04196	2.7
57.03422	8.1
61.02927	36.9
65.03925	3.1
67.02962	2.7
67.05508	33.8
69.03429	16.1
69.07068	33.1
69.50698	22.8
71.01328	4.0
71.04991	3.8
71.89094	2.4
73.02901	12.2
79.05492	29.5
79.89162	2.2
81.03409	19.8
81.07054	56.2
83.04977	8.4
83.08620	8.8
85.02900	29.7
86.95117	2.5
91.03945	16.3
91.05470	44.5
93.07038	31.4
95.01329	11.5
95.04959	11.2
95.08604	27.7
97.02897	23.9
97.06518	26.4
97.10219	3.3
101.02354	5.8
104.23641	2.5
105.07032	68.9
107.04942	16.8
107.08595	16.6
109.02862	8.0
109.06508	4.4
109.10155	7.5
111.04485	3.2
111.08127	2.6
112.42581	2.9
115.03912	3.5
117.07005	13.3
119.08596	29.1
121.06557	3.1
121.10172	5.4
123.11691	4.5
127.03910	11.0
131.08588	20.0
133.06517	2.8
133.10121	43.4
135.11714	7.2
143.08524	4.0
145.06496	4.7
145.10103	19.3
147.11668	18.2
149.09651	4.7
149.13223	4.3
157.10110	4.5
159.11729	12.4
161.13271	4.1
163.11186	6.7
171.11740	5.8
173.13298	3.0
177.12827	5.3
179.14305	16.8
183.06503	4.4
183.11705	4.4
184.07362	2.9
187.11189	4.9
206.48404	3.2
228.72552	2.7
257.18948	8.4
275.20056	100.0
349.23663	30.1
374.25403	2.6
418.48984	3.1
464.61591	2.8
511.28983	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	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.6
55.01862	12.2
55.05514	36.4
57.03437	21.1
61.02936	22.0
67.05508	56.9
69.03432	35.0
69.07065	39.5
69.50655	19.4
69.51065	8.5
71.01360	4.2
71.04978	12.0
73.02898	7.0
79.05489	65.9
81.03413	45.2
81.07061	58.3
83.04966	15.3
83.08615	12.1
85.02900	41.1
85.06499	3.8
85.08439	2.8
85.13038	3.4
91.03955	8.7
91.05479	52.9
93.07044	43.2
95.04955	12.8
95.08605	35.6
97.02888	27.0
97.06524	12.9
97.10152	18.8
99.04443	13.2
101.02367	6.0
105.07030	51.4
107.04937	12.1
107.08602	49.8
109.02879	14.7
109.06523	10.6
109.10156	20.6
111.04485	3.6
111.08047	3.5
115.03905	3.6
116.06243	3.5
116.13931	3.4
117.06985	23.7
119.08567	34.0
121.06500	11.7
121.10139	17.8
123.08047	6.9
123.11729	6.3
125.09624	15.8
127.03916	20.8
129.05431	3.1
129.07008	6.8
131.08565	24.5
133.06509	4.9
133.10114	37.6
135.08049	9.8
135.11717	10.8
137.09639	7.6
141.06993	4.4
143.08548	8.7
145.05031	6.2
145.06488	7.3
145.10127	29.7
147.11685	20.3
149.09608	22.8
149.13260	6.9
151.11137	4.7
155.08554	5.7
157.10130	11.0
159.11703	21.7
161.13216	13.9
163.11169	10.3
171.10204	4.9
171.11710	7.9
173.11797	5.3
173.13284	9.2
177.12747	3.2
179.14334	4.0
183.06512	5.1
183.11765	7.8
185.13252	3.1
189.11273	15.8
197.13283	3.3
203.43677	3.6
204.11554	3.3
227.12740	4.6
229.19409	5.6
233.15305	4.5
239.17958	7.7
245.13763	3.8
247.20515	7.8
257.19019	20.2
261.14902	3.4
273.18387	3.6
275.20081	100.0
287.84662	3.5
293.21078	8.8
331.22656	4.9
349.23700	63.0
383.22488	4.4
391.24570	4.6
484.15323	3.5
493.27969	7.3
511.29044	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	511.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00993	2.8
53.03939	19.1
55.01865	10.2
55.05516	32.5
57.03440	27.7
59.04992	2.8
60.80806	2.7
61.02910	9.6
65.03958	3.2
67.05505	71.4
69.03427	47.4
69.07072	29.0
70.06583	4.4
71.04987	13.1
72.95701	2.6
73.02901	10.2
79.05495	66.6
81.03416	76.1
81.07056	100.0
83.04990	21.2
83.08621	19.7
84.08179	3.1
85.02914	29.1
85.06522	4.1
91.04964	4.6
91.05483	53.5
93.07043	54.6
95.04984	13.7
95.08598	44.3
97.02892	44.6
97.06527	15.9
97.10187	7.6
98.20686	5.4
99.04448	17.3
99.08076	6.5
103.03947	5.2
103.05465	3.1
105.07030	53.6
107.04945	12.4
107.08595	43.1
109.02872	19.0
109.06518	12.6
109.10161	23.0
111.04432	9.7
111.08071	7.7
115.05447	4.2
117.07011	19.0
119.04970	3.5
119.08574	46.9
119.45943	2.7
121.06503	12.0
121.10132	25.9
123.04372	4.4
123.08090	7.5
123.11667	6.6
125.02338	3.4
125.09620	5.9
127.03917	19.6
129.05457	6.4
129.07001	11.1
131.04922	5.0
131.08604	24.8
132.05615	3.1
133.06491	6.2
133.10135	33.2
135.08028	9.8
135.11685	12.1
136.06224	3.9
137.06007	3.7
137.09657	9.9
143.08574	5.6
145.06516	5.1
145.10092	21.2
147.04413	3.5
147.08002	5.6
147.11702	26.6
149.05916	4.2
149.09595	11.8
149.13278	13.7
151.11099	5.4
152.01070	3.4
155.08521	3.8
157.10074	7.3
159.08076	5.0
159.11690	23.1
161.05948	5.1
161.09618	4.1
161.13237	6.8
163.11191	7.0
165.12764	6.1
167.03409	29.2
167.07001	4.2
167.42744	2.8
169.10109	5.2
171.11670	9.2
173.04492	20.3
173.13245	9.4
175.11134	5.8
177.12752	9.2
181.10135	3.5
183.06615	3.8
183.11737	4.6
185.13136	4.0
191.07013	5.3
192.07841	6.8
193.12169	4.5
195.13799	10.3
197.13222	5.2
197.67427	2.9
201.12711	4.3
213.14740	4.6
229.14427	3.4
229.19524	3.4
229.59824	4.8
233.19173	3.8
239.18059	6.9
247.20581	6.5
251.16379	3.4
257.19052	12.2
265.21555	4.1
269.17416	6.6
273.03891	7.6
275.20059	53.5
286.04321	5.1
287.05215	3.2
293.21127	6.0
301.06943	5.7
309.78894	3.0
349.23776	35.0
355.22723	4.4
367.24692	4.0
413.21600	16.9
419.23898	3.1
493.13953	4.2
493.28058	4.7
511.15363	27.8
511.29892	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	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.5
55.01872	11.5
55.05510	34.3
57.03433	21.7
57.07068	5.3
57.20415	3.5
59.02679	3.7
61.02922	20.9
65.03925	5.1
67.05501	65.1
69.03427	35.0
69.07063	44.8
70.02477	22.4
71.05002	8.9
73.02905	11.2
79.05486	58.0
81.03411	33.1
81.07048	52.1
83.04988	16.3
83.08620	12.3
85.02905	25.9
85.06484	4.9
91.03972	9.8
91.05483	47.0
93.07040	44.5
95.04980	17.3
95.08599	39.1
97.02872	21.7
97.06525	20.6
97.10178	12.6
99.04459	11.8
105.07030	48.4
107.04956	13.3
107.08578	49.4
109.02859	8.2
109.06517	12.8
109.10151	27.6
111.04442	7.5
111.08074	4.8
117.07021	12.5
119.08575	39.5
121.06528	4.5
121.10160	24.0
123.08121	5.1
123.11709	5.8
125.09634	15.8
127.03913	13.5
128.66731	3.8
129.05460	6.0
129.07004	8.2
130.07860	4.6
131.08565	26.9
133.10124	30.5
135.08037	15.9
135.11685	8.5
137.09648	6.4
143.08496	6.9
145.10147	26.3
147.11655	23.9
149.09605	20.0
149.13242	5.5
157.10100	14.0
159.08057	4.7
159.11710	20.5
161.13228	5.7
163.11172	12.3
164.06978	5.1
169.10112	7.9
171.11725	8.1
173.09633	5.5
173.11769	9.0
173.13249	12.1
175.11208	6.1
177.12669	8.5
179.14302	7.8
187.11174	4.4
189.11211	17.7
189.12741	5.5
227.12900	7.4
229.14301	6.5
229.19458	7.5
239.18134	6.2
247.20581	7.0
257.19000	20.0
275.20044	100.0
293.21164	8.2
331.22610	5.3
349.23740	83.1
349.28043	5.2
351.01740	4.4
390.70755	4.1
391.24707	6.6
475.26654	6.2
493.28235	8.4
511.29532	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87456	2.0
53.03932	9.4
55.01869	16.4
55.05511	17.9
57.03435	18.0
61.02923	29.6
65.03944	4.3
67.05507	44.0
69.03425	23.5
69.07063	32.0
70.85716	2.1
70.87587	5.6
71.01336	2.6
71.04977	5.4
71.53168	1.9
73.02912	17.2
74.44721	2.1
77.03924	2.6
79.05490	39.9
81.03425	28.5
81.07056	61.3
83.04997	13.4
83.08614	10.1
84.04485	2.2
85.02900	32.2
85.06543	3.7
87.04438	2.2
91.03947	15.7
91.05473	61.4
93.07040	39.7
95.01339	7.5
95.04959	16.3
95.08598	30.3
97.02898	30.7
97.06520	31.2
97.10168	4.6
99.04444	4.7
99.08107	3.1
101.02389	8.3
103.05457	4.6
105.07030	82.3
107.04959	19.4
107.08601	21.2
109.02876	8.2
109.06501	5.8
109.10167	13.3
111.04427	3.1
111.08118	5.6
115.03946	2.6
117.07036	16.3
119.08569	45.2
119.09368	4.1
121.06514	7.6
121.10151	10.4
123.04460	4.2
123.08044	3.9
123.11704	2.1
125.09606	3.3
127.03926	13.9
127.07572	2.4
129.07021	6.3
131.08574	26.3
133.10112	47.2
135.08026	5.4
135.11690	9.0
136.06180	8.3
137.09695	2.3
143.08536	4.5
145.05040	2.6
145.06512	4.3
145.10110	21.6
147.11700	25.8
148.06541	2.2
149.09621	10.8
152.01158	2.9
154.58235	2.4
155.08536	3.1
157.10139	4.4
159.11725	14.2
161.13220	6.3
163.11130	6.2
165.05490	3.1
165.12674	2.9
167.03400	8.3
167.07106	3.1
169.10129	2.6
171.11710	5.7
173.09669	3.6
173.13272	5.0
175.11246	2.8
177.12811	2.8
179.14322	14.8
183.06551	4.0
187.11220	3.1
193.12270	4.2
197.13203	3.5
204.63281	2.7
211.13257	2.9
241.14230	4.1
247.20578	5.2
257.19040	9.4
271.10300	2.3
275.20050	100.0
298.21582	2.2
301.03601	3.1
301.07071	3.0
301.16629	3.4
302.04221	3.3
329.87738	2.0
349.23584	35.0
377.23230	3.0
475.27017	2.6
493.14926	2.3
493.27972	3.2
511.11554	3.6
511.28922	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	511.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04985	0.7
69.62073	0.6
70.28308	3.6
70.28587	0.7
81.03392	0.7
82.01463	1.5
85.02881	1.5
92.81143	0.6
93.54948	0.7
100.02469	2.5
101.00857	2.7
113.21879	0.6
118.03523	22.3
119.01920	8.3
123.04070	0.9
125.05611	1.3
131.01897	1.7
136.04556	26.7
137.02971	1.3
139.58350	0.7
141.05095	11.0
143.01895	6.2
143.06662	24.9
145.03459	4.6
155.01900	3.0
157.03490	2.1
159.06160	13.0
160.04559	0.9
161.02979	9.1
161.07715	18.8
167.01953	1.6
167.14658	0.7
169.04623	3.3
173.02980	7.5
176.04126	0.8
178.04921	1.8
179.01921	0.9
183.06126	2.1
184.04634	1.4
185.02959	14.2
185.07794	5.1
186.03070	0.8
186.06068	2.6
187.03081	1.0
187.05669	26.1
188.03983	1.0
196.04553	2.7
197.02957	4.9
197.07753	0.8
202.05609	1.2
203.04077	3.7
205.06696	54.1
210.07394	1.0
211.05595	8.4
214.05600	1.8
215.03993	2.5
221.04977	0.9
223.05658	1.0
225.07405	0.8
227.04037	2.4
228.07179	1.8
229.06688	100.0
230.04924	1.0
230.06947	1.5
241.06689	23.9
245.05075	25.7
246.05287	2.4
247.07758	44.5
248.07941	1.1
253.06683	4.2
257.04962	1.5
259.07767	12.8
263.06119	2.3
265.06689	4.2
270.09354	2.4
271.07748	2.4
275.06046	2.2
277.08792	2.4
283.07800	4.1
289.08786	26.8
293.06995	1.4
295.07776	1.5
301.08884	1.5
305.07068	2.1
307.09869	1.3
313.08759	3.3
331.09863	37.6
349.10901	28.0
438.50137	0.7
457.62308	0.9
511.16296	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	511.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.9
55.01842	2.3
55.05486	2.3
57.03402	2.0
61.02892	1.1
65.03928	1.3
67.05505	6.5
69.03402	2.5
69.07055	1.9
70.06575	1.3
71.04946	1.1
71.58052	1.3
78.04681	0.9
79.05493	5.4
80.64728	0.7
81.03429	3.8
81.07060	5.9
83.04945	2.5
83.08599	1.5
84.16391	0.7
85.02869	2.7
89.03916	1.0
91.05469	7.3
93.03377	1.2
93.07025	5.6
95.04939	3.3
95.08562	2.8
97.02862	1.2
97.06478	1.7
97.10123	0.9
103.05468	5.4
105.03371	1.3
105.07028	6.4
106.04145	1.7
107.01268	1.1
107.04934	5.3
107.08564	2.5
109.02856	1.0
109.06488	1.6
109.10165	1.4
111.04417	1.5
115.05434	2.2
117.03368	1.1
117.07005	1.8
118.04148	1.1
119.04855	1.5
119.08561	2.9
121.02839	1.0
121.06485	4.4
121.10147	2.4
123.04442	1.2
124.01542	2.8
125.05957	1.0
125.09647	0.9
129.07005	2.7
131.04929	10.1
131.08534	1.6
132.05710	8.7
133.02853	4.9
133.06459	4.4
133.10114	2.1
134.03636	1.2
135.04388	2.2
135.11670	1.2
137.02322	1.2
137.05946	2.1
139.03883	2.0
141.06932	0.9
143.04944	1.3
143.06026	0.9
143.08585	0.7
145.02832	1.0
145.06512	1.3
145.10077	2.2
146.03598	1.1
147.04362	2.5
147.07953	0.8
147.11688	1.2
148.05084	0.9
149.05969	6.9
149.09653	1.2
149.13210	0.8
151.03905	1.0
151.07524	1.3
152.01036	19.8
153.01819	2.3
153.05461	1.4
153.09123	1.0
154.06201	2.0
157.06505	2.7
159.04366	1.7
160.05197	3.8
161.02324	0.9
161.05971	9.3
162.06560	0.9
163.03867	4.6
163.07521	1.1
163.11143	1.3
165.05490	3.4
167.03397	100.0
167.07028	17.8
170.02097	15.9
171.04417	0.9
176.04663	1.0
177.05444	5.8
178.02631	4.3
179.07027	3.7
180.07805	7.3
181.04938	0.9
181.08588	2.3
182.09341	4.7
185.05972	6.3
187.03925	4.8
191.07011	6.3
192.07803	13.6
193.04965	8.8
193.08615	8.6
193.10326	1.1
193.12207	1.1
195.04396	1.2
197.06186	0.9
199.03886	2.8
201.05469	1.2
207.06577	1.0
209.08061	8.4
210.08858	8.6
211.13104	0.9
212.04723	1.1
213.05417	6.2
217.04919	1.5
223.03787	1.1
225.05334	1.1
227.07019	1.4
227.12811	0.8
229.04950	1.5
233.06104	0.9
241.05038	6.2
242.05693	1.4
244.03708	1.1
245.08183	1.2
253.04932	1.0
255.06473	2.1
258.05289	2.5
259.06082	3.3
269.04504	2.8
273.07507	4.5
275.20117	3.0
278.05838	0.9
281.08032	0.9
286.04675	2.6
287.05399	0.9
295.05847	1.0
298.04568	0.9
299.05511	1.3
301.07043	27.2
309.07516	1.2
321.07599	1.9
327.08603	9.5
349.16318	1.7
349.23697	1.2
353.10333	1.2
357.09821	2.8
461.12729	1.2
475.13892	1.0
481.15054	3.4
493.14911	2.5
493.27457	1.3
511.16080	48.0
511.23868	1.7
537.24921	0.9
537.80750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.2
53.03942	0.7
55.01876	1.1
55.05503	0.6
55.71015	0.3
55.82443	0.2
57.03434	0.5
61.02899	0.3
63.02356	0.4
65.03943	1.0
65.10104	0.3
67.01860	0.5
67.05497	1.5
68.99788	2.8
69.03416	1.1
69.07075	0.5
70.06592	1.2
70.71143	0.3
71.05014	0.3
71.57924	0.3
71.58379	0.3
72.08133	0.7
73.02906	0.2
77.03922	0.3
77.12805	0.2
78.04714	1.5
79.05489	3.3
81.03410	1.4
81.07049	1.8
82.32458	0.2
83.04981	0.6
84.04484	0.5
84.08138	0.9
85.02903	1.1
86.09705	0.5
89.03918	0.7
90.04694	0.4
91.05479	5.6
92.02637	0.4
93.03394	0.6
93.07043	2.6
95.01311	1.1
95.04973	2.9
95.08618	0.8
95.76299	0.3
97.02891	0.6
98.20762	0.3
102.04672	1.3
103.05466	7.0
104.06252	3.2
105.03391	1.2
105.04485	0.4
105.07030	8.2
106.04160	0.6
107.04946	5.1
107.08601	0.7
109.02899	0.7
109.06542	0.8
109.10153	1.0
111.00780	0.8
112.30024	0.3
115.05444	3.2
117.03354	1.4
117.07011	0.8
118.04162	2.7
119.01281	0.4
119.04979	1.7
119.08588	0.7
120.08120	0.3
121.02843	1.2
121.06495	3.8
121.10138	0.9
123.04450	2.4
124.05215	0.5
125.02365	0.4
125.05999	0.4
127.03895	0.4
129.03435	0.3
129.06975	0.3
129.10266	0.3
130.04149	2.0
131.04930	20.8
131.08533	0.8
132.05710	18.4
133.02863	2.4
133.06505	5.0
133.10149	0.6
134.03622	0.7
135.04411	2.1
135.08029	0.4
136.06184	0.7
137.02315	1.4
137.05949	1.9
139.03912	0.3
139.07544	0.3
139.75363	0.3
140.04694	2.5
141.07062	0.3
143.04945	0.5
144.05739	0.5
145.02837	0.8
145.06528	0.7
145.10110	0.3
146.03616	5.5
147.04405	4.6
147.11673	0.4
148.05159	0.9
149.05983	4.3
149.09639	0.4
151.03891	1.4
151.07536	0.8
153.01828	15.6
153.05458	0.6
154.06264	0.8
155.04893	0.7
155.07077	0.5
159.04436	1.1
159.11716	0.4
160.05203	6.1
161.02325	0.6
161.05980	12.5
162.03110	0.7
162.06749	3.3
163.03896	2.1
163.07542	0.8
165.01888	1.1
165.05470	2.4
165.06792	0.4
165.09044	0.3
166.06273	1.3
167.07036	11.4
171.04453	1.0
173.06049	1.3
175.03963	0.9
176.04695	1.2
177.05461	7.6
178.06247	3.9
178.07664	0.5
179.03412	3.1
179.07037	2.2
180.07787	2.9
181.06531	0.3
181.08604	1.2
182.09421	0.9
183.04358	0.6
183.08080	0.3
187.03944	1.2
189.05457	2.4
191.03419	1.0
191.07008	4.7
192.07808	15.7
193.01398	0.5
193.04962	0.6
193.08592	0.9
197.05956	0.3
199.03929	0.8
200.04793	0.4
201.05475	2.5
202.06056	0.3
203.03407	2.3
205.06615	0.4
207.04796	0.3
207.06491	1.4
208.05229	0.3
209.06059	0.5
209.07973	0.6
210.08783	1.3
211.04019	0.5
213.05435	0.9
217.04959	16.9
218.05484	0.4
221.06059	0.7
225.05363	0.3
227.03375	0.8
228.04173	0.9
229.04953	7.1
230.05728	1.0
231.02910	0.8
232.03668	0.6
233.06036	0.3
236.04570	0.5
237.05402	1.3
239.03438	0.3
241.04842	0.7
243.03084	0.3
243.06117	0.3
245.04436	14.5
246.05101	0.6
249.05472	0.6
250.06216	0.4
251.07042	0.5
251.26999	0.3
253.05084	0.8
255.02875	0.5
255.06551	1.0
256.03699	0.4
257.04404	4.3
258.05225	1.0
261.05377	0.3
262.64417	0.3
263.07117	0.6
264.66443	0.3
265.04974	1.1
266.05688	0.9
267.06339	0.3
268.03708	0.4
269.04465	1.8
271.05981	0.4
273.03934	20.0
274.04471	1.2
275.20062	0.5
279.06522	1.0
283.06119	1.1
284.03000	0.4
285.03943	7.1
285.07056	0.5
286.04776	1.6
287.05621	0.9
289.04990	0.3
293.04321	0.4
294.05402	0.6
297.04233	0.4
299.05664	0.9
301.03424	17.7
302.04175	4.0
303.04993	4.6
307.05975	0.5
309.04196	0.5
311.05499	3.3
313.03430	5.1
315.05103	0.6
316.07294	0.3
321.07550	0.6
327.04980	8.0
331.06076	0.4
335.05759	0.5
339.04993	6.8
339.08582	0.6
343.04706	0.5
345.07324	0.9
349.06619	0.3
349.23843	0.4
357.06021	5.4
361.06708	0.7
367.08188	0.4
373.07098	0.6
387.08368	0.5
389.06570	0.7
390.07376	0.7
400.05893	0.5
401.06686	1.7
402.07062	0.3
415.08224	0.8
417.05798	0.4
418.06879	1.9
419.07590	0.3
428.05612	0.3
429.06174	0.9
433.09399	1.5
443.07593	1.1
446.06116	1.5
449.08276	0.4
461.08664	22.1
462.09256	0.6
465.11752	0.4
478.08795	0.4
481.11307	3.8
493.11270	18.2
494.11432	0.6
511.12357	100.0
512.12787	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	511.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01862	1.1
55.05523	0.5
57.03417	0.4
63.68960	0.3
65.03941	0.9
67.01865	0.4
67.05502	0.9
68.99794	2.3
69.03426	0.9
69.07061	0.6
69.49087	0.7
69.49498	2.4
70.06592	1.1
72.08143	0.5
73.02907	0.3
78.04713	1.2
79.05499	3.1
81.03430	0.6
81.07057	2.3
83.04971	0.6
84.08139	1.1
85.02897	1.9
89.03913	0.9
90.04697	0.7
91.05478	5.3
92.02644	0.5
93.03416	0.6
93.07059	2.3
95.01337	1.2
95.04964	2.7
95.08622	1.0
97.02878	0.9
102.04687	1.4
103.05459	7.0
104.06246	3.9
105.03407	1.0
105.04491	0.5
105.07033	7.7
105.90800	0.4
106.04179	1.0
107.04958	3.7
107.08616	0.8
109.02852	0.8
109.06560	0.6
109.10161	0.4
111.00800	0.7
115.05473	3.1
117.03403	1.1
117.06973	0.7
117.38824	0.3
118.04183	2.4
119.04956	2.2
119.08614	0.8
120.05752	0.7
121.02866	1.1
121.06525	3.3
121.10158	1.0
123.04426	2.0
124.05254	0.4
125.02382	0.5
125.05996	0.5
127.03918	0.7
130.04150	2.3
131.04930	20.7
131.08556	0.5
132.05711	20.1
133.02876	1.6
133.06509	4.9
133.10112	0.4
134.03600	0.9
135.04414	2.6
136.06221	0.7
137.02364	1.4
137.05977	3.0
139.03920	0.6
139.07707	0.4
140.04663	3.2
141.01820	0.9
143.04951	0.5
143.06059	0.4
145.02846	0.5
145.04959	0.7
145.06500	0.8
146.03625	5.7
147.04422	3.8
148.05208	1.3
149.05966	4.9
150.06735	0.6
151.03966	0.9
151.07574	0.6
151.24606	0.4
153.01836	11.6
153.05453	0.8
154.06281	0.7
155.04922	0.7
155.07043	0.6
157.06493	0.5
157.10199	0.4
159.04439	0.8
159.11682	0.4
160.05209	6.5
161.02356	0.7
161.05980	14.6
162.03146	1.1
162.06757	3.4
163.03931	1.6
163.07559	0.8
165.01869	0.9
165.05550	2.4
166.06303	0.9
167.03368	0.8
167.07042	9.9
171.02942	0.4
171.04382	0.9
173.06003	0.8
175.03931	1.2
176.04718	1.2
177.01923	0.5
177.05472	8.3
178.06253	3.6
179.03397	2.5
179.07004	2.4
180.07793	2.4
181.04930	0.4
181.08617	1.3
182.09467	1.1
187.03941	0.7
189.05460	2.0
191.03423	0.7
191.07050	3.9
192.07811	17.7
193.08556	1.1
197.05930	0.8
199.03897	0.9
201.05486	2.7
203.03438	1.8
207.06520	1.0
209.08098	0.7
210.08888	1.5
213.05475	0.8
215.03249	0.4
216.04427	0.4
217.04956	16.1
219.03082	0.5
221.06100	0.8
227.03438	0.7
229.04976	6.8
230.05742	0.6
231.02985	0.7
232.03645	0.4
237.05502	1.2
241.05034	0.7
243.02881	0.4
243.06598	0.6
245.04453	14.6
246.05034	0.4
249.05481	0.4
253.04994	0.7
255.02867	0.4
255.06532	1.0
257.04443	4.2
258.05151	0.8
263.06992	0.5
265.05112	0.9
266.05859	0.9
269.04376	2.1
273.03940	18.8
274.04626	1.5
279.06534	0.9
281.04593	0.4
281.07828	0.5
283.06027	0.9
285.03967	6.9
286.04727	1.1
287.05408	0.6
289.04996	0.6
297.03931	0.6
299.05612	0.8
301.03448	18.5
302.04086	4.7
303.04889	4.6
307.06168	0.5
307.09595	0.6
311.05530	3.2
313.03333	4.0
321.07721	0.5
327.04922	7.2
334.13785	0.4
335.05597	0.4
339.05035	7.2
339.09109	0.4
343.04736	0.7
345.07574	0.7
357.06067	5.6
372.06137	0.6
373.07169	1.2
389.06781	0.8
390.07507	1.0
400.05859	0.7
401.06665	1.4
418.06799	2.0
426.18015	0.5
428.05170	0.4
429.05994	1.2
433.09277	1.6
443.07733	1.4
446.06293	1.4
461.08670	22.3
462.09351	0.9
481.11264	4.1
493.11261	18.4
494.11292	0.5
511.12369	100.0
512.12854	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	511.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03944	1.0
55.01870	0.8
55.05519	0.4
56.73091	0.4
57.03429	0.4
65.03954	0.9
67.05503	0.5
67.75684	0.3
68.99787	2.2
69.03443	0.4
70.06598	0.4
70.98261	0.5
70.98586	0.4
78.04701	1.8
79.05502	2.7
81.03409	0.7
81.07070	0.7
83.08605	0.4
85.02914	0.5
89.03918	1.2
90.04718	0.8
91.05481	5.0
92.02631	0.4
93.03422	0.9
93.07040	2.1
95.01324	1.0
95.04961	2.3
102.04691	1.5
103.05466	6.7
104.06249	3.8
105.03379	0.9
105.07031	6.7
106.04152	0.7
107.04959	4.7
109.02922	0.5
109.06532	0.5
111.00826	0.8
111.04514	0.4
115.05469	3.6
117.03400	1.4
118.04153	3.2
118.66029	0.4
119.04977	1.9
119.08607	0.7
120.05715	0.4
121.02886	1.1
121.06500	3.4
121.10121	0.8
123.04420	1.9
124.05267	0.4
125.02414	0.7
125.65565	0.3
125.89142	0.4
129.06970	0.4
130.04179	2.8
131.04922	21.1
132.05710	21.0
133.02875	1.8
133.06494	5.3
133.10091	0.4
134.03619	0.5
135.04420	1.7
136.06200	0.5
137.02348	0.9
137.05997	1.2
140.04645	2.6
143.06125	0.4
145.02908	0.6
145.06487	0.8
146.03639	5.0
147.04420	4.8
148.05197	1.3
149.02319	0.7
149.05965	4.0
150.61444	0.4
151.03949	1.5
151.07524	0.8
153.01834	11.4
153.05415	0.5
154.06277	0.4
155.04932	0.5
155.07076	0.7
159.04443	1.0
160.05188	6.1
161.02386	0.4
161.05978	14.5
162.03151	0.7
162.06772	2.9
163.03943	2.1
163.07494	0.8
165.01869	1.7
165.05481	2.0
165.06850	0.5
166.06265	1.0
167.07042	10.1
171.02869	0.5
171.04437	1.1
173.05989	0.9
175.03996	0.8
176.04665	0.9
177.05473	8.7
178.06267	4.0
179.03423	4.1
179.07001	2.1
180.07808	2.3
181.08551	1.5
182.09427	0.8
183.04442	0.7
187.03970	0.9
189.05498	2.0
191.03362	0.7
191.07007	4.5
191.08577	0.4
192.07806	16.7
193.08510	1.3
199.03958	1.0
201.05489	2.1
203.03400	2.2
207.06540	1.3
210.08842	0.6
213.05545	0.7
215.03502	0.6
217.04959	17.3
219.02896	0.5
221.05978	0.6
225.05556	0.5
227.03375	0.7
228.04175	0.8
229.04955	6.7
230.05695	0.7
231.02972	0.8
236.04842	0.8
237.05504	0.8
239.03468	0.4
241.04945	0.6
245.04462	16.7
246.04823	0.6
251.06918	0.4
253.04987	0.6
255.03140	0.5
255.06517	0.7
257.04395	3.8
258.05234	0.7
265.05038	1.0
266.05762	1.0
269.04507	1.9
271.06033	0.5
273.03940	20.8
274.04611	1.1
279.06583	0.8
281.04388	0.7
281.08252	0.5
283.06012	0.5
285.03949	6.8
286.04739	1.2
294.05441	0.4
299.05292	0.6
301.03445	18.3
302.04126	4.0
303.05011	3.4
307.06058	0.8
311.05524	3.0
313.03351	3.4
321.07458	0.6
327.04910	6.5
335.05591	0.4
339.04980	7.4
343.04941	0.6
344.06909	0.4
345.07773	0.7
357.06061	5.5
362.08112	0.4
373.06927	0.9
389.06528	0.7
390.07257	0.7
401.06635	1.0
402.07504	0.5
405.09818	0.7
417.06042	0.6
418.06870	1.9
419.02020	0.4
428.05515	0.5
429.06216	1.2
433.09174	1.2
443.07468	1.2
445.05701	0.5
446.06393	1.4
449.08563	0.5
461.08682	25.5
462.09164	1.6
478.08774	0.5
481.11200	3.2
493.11279	17.9
494.11667	1.0
511.12357	100.0
512.12646	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	510.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.05503	16.7
57.03419	7.1
57.07073	100.0
63.16704	2.7
67.05504	30.9
69.03431	17.0
69.07065	22.5
69.64829	19.0
71.04980	3.5
71.08629	65.6
81.03423	18.8
81.07054	45.2
83.08617	28.0
85.02438	3.5
85.02909	40.5
85.06570	4.2
85.10184	41.6
91.05457	3.0
95.08607	69.3
97.02905	19.7
97.10165	13.3
99.04456	6.5
109.02866	12.1
109.10155	36.9
109.16625	2.9
111.11689	5.3
123.11680	13.2
125.13266	4.7
127.03916	35.2
137.13246	6.3
145.04947	25.1
164.32771	2.8
190.37730	2.7
239.23701	95.0
239.26115	5.1
257.24649	5.3
303.02576	3.3
313.27267	4.6
324.73511	2.7
329.26883	4.7
383.27872	53.2
401.29010	80.9
419.53876	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57138	0.6
53.90739	0.8
55.05492	0.7
56.05036	0.9
56.72073	0.7
57.07067	3.3
58.06599	1.2
59.07398	0.9
60.07878	1.4
60.08161	15.9
67.05503	0.9
69.07092	0.7
71.07372	7.4
71.08616	1.4
71.58349	1.5
79.05476	0.8
81.07047	1.3
85.10177	1.7
86.09705	47.4
95.08591	2.1
98.72375	0.7
98.98448	4.4
104.10742	100.0
115.00687	0.7
124.99995	22.9
126.55798	0.8
131.21083	0.7
170.03635	0.9
184.07339	93.3
189.90944	0.7
327.28992	1.5
374.94809	0.7
492.34424	8.0
494.17749	0.8
510.35602	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	510.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19991	4.9
53.03940	6.9
55.01862	9.4
55.05507	6.8
57.03435	6.4
58.68426	4.9
59.04977	6.6
60.04517	16.8
61.02900	5.9
62.06076	17.1
67.05489	16.1
69.03417	27.3
69.07056	10.9
70.06583	26.5
71.04985	28.1
72.08151	11.1
79.05502	29.3
81.03419	24.5
81.07058	100.0
83.04972	10.2
83.08556	5.9
84.04497	6.6
84.08149	17.7
84.37450	6.3
85.02422	7.9
85.02902	80.0
86.09699	20.2
87.18465	5.9
91.05467	26.3
91.92661	5.4
93.07050	55.0
95.01287	5.2
95.04980	13.3
95.08600	6.3
95.74441	5.5
97.02354	5.5
97.02882	31.7
98.06029	6.9
98.20783	11.1
99.04438	14.5
103.03948	25.6
103.05497	8.9
105.07013	15.1
107.04981	8.3
107.08592	14.2
108.09324	5.1
109.02879	14.1
109.06522	14.0
109.10155	23.5
110.07175	7.5
111.08046	9.0
119.04934	8.7
119.08601	13.2
120.08122	12.7
121.10157	36.5
123.08121	6.6
123.11722	32.8
124.03957	6.1
127.03911	29.5
129.10246	7.3
133.10129	14.3
136.06174	53.5
137.06044	6.2
137.09639	7.3
140.07101	8.1
145.02798	11.4
145.04877	34.2
145.64709	5.4
147.04445	14.8
147.08073	7.0
148.07562	9.6
149.09621	17.6
151.11185	66.0
153.01848	10.7
163.06026	25.7
164.07051	7.6
165.11411	6.2
167.07063	10.3
167.10732	13.1
169.12254	92.6
176.07031	13.8
177.05490	19.7
182.08218	6.3
187.13266	9.1
193.12312	11.7
194.08287	8.5
207.06549	10.5
311.14645	8.2
313.03391	8.9
330.26447	11.3
348.07898	7.3
348.20462	13.9
348.27353	9.7
360.17801	7.6
369.14407	6.4
370.15091	10.9
492.23938	7.6
510.24780	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	510.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.05506	5.0
57.03436	15.9
59.26699	2.9
61.02913	5.0
67.05496	4.8
69.03402	8.3
70.06574	5.0
70.92970	3.4
70.93298	6.7
71.04996	33.8
73.02904	5.0
75.04480	21.0
79.05492	11.2
81.03436	3.8
81.07047	11.3
83.04984	26.1
85.02909	82.1
86.15202	3.0
87.04459	4.2
91.05473	13.1
93.07044	100.0
95.04970	21.8
95.08595	11.6
97.02900	7.0
97.06512	4.0
98.11209	3.1
99.04440	8.2
105.07047	16.1
107.08570	12.6
109.06497	3.9
110.00940	3.6
111.04440	12.7
111.08097	15.3
117.86500	3.1
119.08601	9.5
121.06541	6.7
121.09321	5.8
121.10149	79.1
123.08064	6.7
125.05951	3.4
127.03904	3.0
129.05490	40.7
129.06984	4.5
131.08560	10.3
133.10143	6.9
135.08090	5.4
139.11172	13.4
145.04933	7.2
145.10121	11.7
147.06561	6.4
147.08009	4.3
149.09618	18.8
154.67770	4.0
157.10123	4.9
161.09644	8.1
165.09163	3.0
167.10664	56.0
173.09599	5.8
175.11160	8.8
181.08612	4.7
185.11874	3.5
187.11121	4.2
189.09131	5.9
191.10680	17.3
203.10616	6.2
209.11737	5.4
213.12726	6.9
221.11740	7.0
231.13789	7.4
233.11745	7.6
238.01086	3.2
249.15039	3.7
259.13327	14.3
261.99091	3.1
267.15994	4.6
277.14398	22.2
295.15323	19.3
313.16443	8.1
449.10474	3.5
450.49164	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	510.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01871	4.3
55.05498	7.3
57.03439	13.2
60.04534	4.3
67.05496	6.6
69.03427	9.8
69.07069	2.1
70.06600	3.2
70.25257	5.8
71.04993	31.2
73.02909	6.9
73.49920	2.5
75.04481	18.1
79.05497	13.5
81.03414	5.6
81.07050	12.1
83.04981	26.1
84.08140	2.4
85.02903	69.2
86.09693	2.5
87.04461	4.6
91.05482	20.7
93.07044	100.0
95.04963	19.5
95.08601	11.3
97.02884	10.7
97.06532	4.7
99.04427	6.3
105.07021	14.6
107.04907	2.3
107.08589	10.8
109.02847	2.8
109.06511	4.7
109.10082	2.6
111.04420	11.5
111.08077	15.5
113.06103	2.1
117.07003	4.7
119.08588	13.7
120.08092	7.2
121.06494	5.2
121.10145	72.1
123.04489	3.0
123.08062	7.2
123.11747	3.7
125.05976	4.3
126.87460	1.8
127.03915	5.7
129.05478	30.7
131.08577	5.9
133.10126	8.5
135.08080	2.9
135.11562	2.1
136.06152	5.6
137.05905	5.2
137.70300	2.0
139.11180	10.7
143.08554	3.9
145.04950	7.3
145.10124	8.4
147.06615	2.3
147.08034	4.6
147.11687	3.3
149.09627	19.8
157.10083	2.9
159.08090	4.5
161.09604	8.3
163.06010	2.4
163.07539	2.3
163.11157	5.6
167.10681	57.4
173.09637	5.6
175.11169	5.3
179.10687	3.7
185.09624	3.3
189.09167	2.4
191.10684	18.4
201.09119	1.9
203.10652	7.1
203.14278	2.0
209.11734	6.3
213.12804	2.8
217.12268	3.4
219.10028	2.4
221.11726	8.3
231.13846	4.5
233.11757	8.3
241.12233	2.8
249.14809	4.9
251.12915	2.7
251.45622	2.3
259.13303	13.4
261.84451	2.2
267.15784	3.5
277.14413	23.9
279.13712	2.4
289.61127	2.0
295.15411	19.9
309.11935	2.9
313.16379	6.8
330.26233	5.6
448.57483	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66124	1.8
53.03938	3.5
55.01886	3.3
55.05510	4.8
57.03447	9.7
57.07076	15.9
59.04998	7.7
61.02926	7.3
65.03942	2.1
67.05489	8.9
68.99818	1.6
69.03431	25.1
69.07060	8.1
70.06594	6.2
71.01357	4.6
71.04971	4.8
72.08147	8.3
73.02915	11.9
79.05466	2.2
81.03414	9.6
81.07066	5.4
82.06570	4.7
83.01347	3.4
83.04985	2.5
83.08604	3.0
84.08122	2.6
85.02905	100.0
85.06546	10.9
85.58513	1.6
86.09721	4.6
87.04482	2.6
88.03957	2.1
91.03951	2.2
91.05473	5.0
93.07030	5.2
95.01332	40.5
95.04974	2.4
95.08606	47.9
97.02893	33.1
97.06537	5.6
98.06100	1.9
99.00821	3.4
99.04466	4.9
99.08088	10.7
103.03950	4.0
107.08598	6.3
109.02876	7.3
109.06544	4.8
109.10132	14.6
111.08078	8.4
111.11692	2.0
113.02353	7.6
113.08883	3.9
113.09644	57.8
119.04937	3.6
120.08119	3.9
123.04369	2.0
125.02406	2.2
125.44394	1.9
127.03938	20.3
127.11185	30.9
128.07082	15.9
129.07437	3.3
129.10199	1.9
131.03421	7.1
133.04987	7.2
135.11681	15.3
141.01826	99.8
145.02832	1.9
145.04948	23.4
147.04362	9.9
150.08961	1.7
153.12737	70.8
155.14317	10.3
159.02904	7.6
163.06033	4.5
163.07472	2.1
171.13805	72.7
177.04034	2.4
177.05501	3.5
177.12802	2.2
179.05591	5.7
213.14873	4.3
216.65623	2.0
237.14786	2.3
285.83682	2.1
332.05237	2.0
347.07669	5.3
447.17877	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1442
Annotation	Picramnioside E
Peak:m/z	Relative Intensity
50.01593	0.4
55.05506	0.6
56.65669	0.4
67.05501	0.8
69.07059	0.6
69.91552	2.5
73.38360	0.4
79.05476	0.6
81.07065	0.8
86.09737	0.6
91.05471	1.7
93.07024	0.9
95.04944	0.7
98.21458	0.6
103.05449	1.2
105.07062	0.5
111.08102	0.4
117.07034	0.7
118.04179	0.9
119.08602	0.8
121.06546	1.0
123.33999	0.5
124.69462	0.4
130.04108	0.7
131.04929	2.0
131.08525	0.6
147.04381	0.5
153.01892	0.5
167.03424	1.5
167.07016	0.8
174.03369	0.5
176.04727	1.2
177.05402	0.6
180.16663	0.4
188.78043	0.4
191.07060	1.7
192.07834	0.5
200.04701	0.9
213.05492	3.4
217.04948	2.1
228.04126	2.4
229.04922	5.4
243.06525	2.7
247.18501	0.5
256.03708	10.6
256.07321	9.1
257.04431	4.2
258.05222	1.4
267.06561	3.3
268.03738	0.6
269.04449	0.7
270.05231	1.7
271.06003	51.9
272.06769	11.3
282.05276	0.9
283.06055	1.2
284.06650	2.5
285.04074	1.3
285.07599	3.3
286.04697	6.6
297.03973	0.6
297.07349	0.6
298.04807	1.1
299.05527	8.1
300.06271	29.8
301.07043	11.0
311.05518	1.8
313.07211	2.3
341.06470	1.2
361.69278	0.5
368.13144	0.6
417.09457	0.7
433.09186	2.3
447.10852	0.8
451.09998	0.5
461.08826	2.6
463.10287	0.6
465.11673	0.6
475.10220	1.7
476.10812	0.7
479.13614	3.4
491.13342	12.3
509.14410	100.0
510.14874	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	509.1442
Annotation	Picramnioside E
Peak:m/z	Relative Intensity
53.03928	0.6
55.05498	0.6
67.05510	0.8
70.81599	0.4
71.19677	0.8
72.13026	0.4
78.78934	0.5
79.05498	0.7
81.07062	0.8
91.05486	1.6
93.07073	0.9
95.04981	1.2
95.08617	0.7
97.10010	0.5
103.05467	2.4
105.07085	1.0
107.04926	0.7
107.08614	0.6
118.04156	1.5
119.04961	0.8
121.06506	1.1
125.02303	0.5
130.04158	1.0
131.04945	3.2
132.05714	1.3
135.04349	0.7
140.04709	1.7
146.03656	1.5
147.04387	1.0
148.05174	0.8
149.06021	0.8
153.05446	1.1
159.04445	0.7
160.05220	0.7
161.05896	0.5
162.03159	1.0
163.03906	0.4
166.06308	0.4
167.03401	5.2
167.07054	1.3
171.85802	0.4
176.04698	1.4
177.05444	1.4
178.06282	2.6
191.06975	2.5
192.07867	1.0
217.04965	6.9
228.04190	1.0
243.06575	5.0
244.24188	0.5
255.06578	1.1
256.04199	0.9
256.07285	10.8
257.04678	0.6
258.05310	1.4
267.06534	3.2
270.05157	0.5
271.06018	54.8
272.06775	17.9
272.09793	0.7
273.07285	0.6
283.06061	1.7
284.06842	1.5
285.07578	2.0
286.04883	1.6
299.05502	7.7
300.06284	29.4
301.07065	13.9
311.05563	4.9
313.07086	1.9
314.07916	1.0
314.45267	0.4
341.06604	3.1
355.08145	1.6
365.72800	0.5
387.08786	0.9
401.10007	0.6
408.36224	0.5
430.10361	0.7
433.09076	2.1
459.10840	0.4
461.08749	2.1
475.10199	0.9
476.11362	0.6
479.13474	3.4
491.13376	14.0
509.14441	100.0
510.14856	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	509.1442
Annotation	Picramnioside E
Peak:m/z	Relative Intensity
53.67906	0.4
55.01869	1.0
55.05510	1.1
57.03429	0.4
67.05502	1.4
68.99812	0.7
69.07039	0.5
71.05009	0.6
71.58029	0.7
74.59114	0.4
78.04704	0.5
79.01944	0.4
79.05491	1.4
79.94250	0.4
81.03407	0.9
81.07055	1.7
91.05496	3.0
93.07032	2.6
95.04958	1.7
95.08611	1.5
97.02878	0.6
97.10180	0.5
102.04698	0.4
103.05478	4.2
104.00375	0.4
104.06237	1.1
105.03390	1.3
105.07042	1.9
107.04984	1.7
107.08622	0.8
109.06503	0.7
109.10188	0.6
111.04430	0.8
115.05480	1.0
117.07021	1.0
118.04167	1.5
119.04966	1.4
119.08593	0.7
121.02905	1.2
121.06530	2.0
121.10165	0.9
123.04459	0.9
126.74886	0.4
129.06960	0.5
130.04163	1.7
131.04932	9.6
131.08601	0.7
132.05716	8.7
133.02811	1.0
133.06546	1.0
134.03682	0.8
135.04414	1.1
135.11732	0.5
137.02325	4.9
137.06001	1.6
140.04713	1.0
143.08592	0.5
145.06502	0.5
145.10103	0.6
146.03644	1.3
147.04439	2.2
147.08064	0.7
148.05200	1.0
149.05981	1.7
150.06810	1.0
153.01912	0.7
153.05531	0.7
154.06270	1.2
159.04538	0.5
160.05214	3.8
161.05975	2.8
162.06778	0.6
163.03957	1.4
165.05492	1.5
167.07069	4.7
173.06029	1.2
176.04732	2.0
177.05457	5.6
178.06323	2.1
179.06989	1.1
180.07809	2.7
181.06624	0.5
181.08620	1.6
184.05206	0.8
185.06070	0.9
191.07060	4.9
192.07808	11.9
193.08423	0.6
197.06029	1.4
200.04716	1.6
201.05492	2.5
210.08783	0.5
212.04758	0.6
213.05431	2.8
215.07132	1.2
225.05496	2.5
226.06212	0.5
227.03488	1.1
227.06915	1.1
228.04207	5.1
229.04968	2.7
240.08842	0.4
241.04951	5.8
242.05766	1.3
243.06590	4.5
253.04971	2.2
255.02911	1.2
255.06599	2.1
256.03738	1.1
257.04456	5.2
267.06552	1.0
268.03674	0.7
269.04504	5.1
270.05237	1.7
271.06015	25.1
281.04529	0.7
283.02438	3.9
283.06104	1.4
284.03220	0.6
285.03943	13.5
286.04688	6.6
287.03876	0.9
289.05286	1.5
297.03976	5.2
298.04681	1.1
299.05493	8.8
300.06219	4.7
301.07080	3.8
311.02130	0.8
311.05392	3.3
313.03830	0.9
325.07056	0.6
327.05042	5.9
337.07135	1.4
341.06537	2.4
347.22287	1.0
355.08185	1.9
458.09784	0.6
459.10641	2.5
461.08499	2.7
463.10202	0.7
465.24530	0.8
473.08615	0.6
475.10233	1.0
476.10770	0.9
479.13483	2.7
491.13663	15.4
509.14484	100.0
510.14792	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48889	0.3
53.60230	0.3
55.05495	0.7
56.05025	1.0
57.03421	0.4
58.06601	0.7
60.07886	0.5
60.08165	6.9
65.45526	0.3
67.05504	0.8
67.62601	0.3
69.07051	0.8
71.07378	4.1
73.99835	0.3
81.07051	0.9
83.08611	0.7
86.09706	37.4
93.07029	1.1
95.08613	0.7
97.10170	0.5
98.98459	4.8
104.10760	3.7
105.07014	0.6
121.10159	0.5
125.00005	23.9
129.77731	0.3
143.01051	0.7
184.07339	100.0
185.07692	0.7
229.98306	0.4
325.16080	0.4
336.26166	0.7
347.17130	1.1
490.32922	0.7
508.33923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
53.83867	1.5
55.05271	1.3
55.05510	6.6
57.03439	1.8
61.02913	2.0
63.12784	1.1
65.03931	1.2
67.05490	3.1
69.03416	5.3
69.07055	4.8
70.06550	1.8
70.93771	2.2
70.94080	1.7
71.04992	1.5
72.08141	1.8
73.02921	1.3
73.48708	1.1
79.05493	15.9
81.03423	2.7
81.07057	6.5
83.82003	1.1
85.02898	33.5
85.06535	2.7
86.09682	2.6
91.03945	1.9
91.05477	30.7
93.07041	98.3
95.01324	9.0
95.04962	9.6
95.08594	3.6
97.02879	9.9
99.04442	1.7
105.07030	9.0
107.08591	100.0
109.02885	2.0
109.06500	3.7
109.10140	1.6
119.06078	1.3
119.08573	3.1
121.10146	2.5
127.03870	6.5
131.03476	1.2
135.11684	45.7
137.06023	1.3
141.01811	24.6
145.04967	13.4
147.04408	2.0
159.02908	3.5
163.06023	5.2
175.35451	1.1
177.04024	1.6
179.54111	1.1
232.67221	1.3
267.71552	1.8
291.71274	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	0.7
55.05512	8.7
56.05024	0.8
57.02362	0.5
65.03936	1.2
67.05492	1.7
69.07037	0.5
70.06587	1.9
72.08153	1.0
79.05480	1.9
81.03398	1.4
81.07056	0.7
82.06580	41.6
83.04962	1.1
84.08126	1.3
85.02887	1.1
86.09695	1.9
88.20251	0.4
91.04967	0.9
91.05479	10.0
93.07060	0.5
94.06582	0.8
95.04991	3.7
96.08121	2.4
98.21014	3.1
100.07604	3.2
105.07037	1.1
111.04436	2.3
119.04943	17.8
120.08064	1.1
124.07601	7.4
128.07079	100.0
139.03920	1.2
142.08641	11.9
147.04411	69.2
152.07063	0.8
165.05461	0.7
170.08214	1.0
177.05545	0.6
188.09193	10.7
199.06007	4.4
207.06641	0.6
217.07175	3.0
220.36269	0.5
229.80276	0.5
246.24672	0.5
249.19456	0.5
286.38651	0.6
292.22705	0.7
303.08759	1.2
310.23889	0.8
311.10327	0.9
321.09717	1.0
328.24954	0.9
329.11267	1.0
347.12360	1.1
362.14450	7.2
363.10706	13.0
444.16449	0.5
462.17560	3.1
490.30264	0.6
508.18152	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20035	0.5
55.05512	11.0
56.05042	0.6
60.04504	0.6
60.66616	0.5
64.47372	0.5
65.03928	1.6
67.05489	1.6
69.03401	1.2
69.07066	0.7
70.06600	3.4
71.58363	0.8
72.08155	1.2
75.78645	0.5
79.05481	0.8
81.03426	1.0
81.07056	1.0
82.06580	46.1
83.04975	1.6
84.04507	1.9
84.08131	1.9
85.02897	1.4
86.09713	3.8
86.10147	0.7
91.05478	9.3
93.03392	0.9
93.07081	0.6
95.04965	3.8
96.08135	2.5
96.17258	0.5
97.02870	0.6
100.07620	2.9
111.04469	2.9
112.07590	0.7
119.04942	21.5
119.05788	1.2
120.08105	2.1
123.04471	0.7
123.08103	1.3
124.07597	6.8
127.60242	0.5
128.07077	100.0
129.10265	0.8
136.07623	0.8
138.05495	1.5
139.03903	2.5
142.08624	11.8
147.04408	85.5
152.44788	0.5
157.04950	0.8
162.02162	0.8
165.05431	1.5
188.09183	9.4
196.06091	0.8
199.06020	6.5
211.54674	0.5
217.07132	2.5
259.11136	1.9
260.07581	0.5
280.15598	0.5
284.88699	0.6
303.08609	1.8
310.23706	0.5
321.09714	2.4
329.05322	0.6
362.14511	7.3
363.10730	30.7
444.16608	1.3
462.17407	2.3
508.18045	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	5.8
67.05532	4.1
69.44159	18.9
69.44579	13.5
70.06586	7.9
71.04987	31.8
75.92010	3.6
79.69496	3.4
81.03419	4.7
81.07068	5.1
83.58788	3.5
84.08117	6.7
85.02905	43.6
86.09710	5.5
88.09740	3.2
93.07000	3.8
94.35648	3.6
98.20684	7.9
99.04355	3.9
109.02849	6.3
128.57185	3.6
129.05504	8.4
137.01364	6.6
137.02354	71.7
137.03394	8.3
137.05960	7.2
146.08118	4.9
147.04324	4.6
151.03932	3.9
153.01849	9.0
164.07132	5.3
172.20065	3.6
177.52176	3.5
178.04735	3.8
190.10757	3.8
208.06041	5.3
209.04459	6.2
229.04829	4.2
243.21252	3.5
249.10359	4.1
259.05777	4.0
263.11795	14.2
271.06064	5.5
273.03821	5.3
275.05566	4.4
288.05698	8.6
298.07126	8.4
299.05426	12.0
301.03287	10.2
303.04907	44.0
315.04953	14.7
316.05313	28.3
316.08334	10.9
319.04358	4.0
323.13821	4.5
326.06552	5.2
327.04993	63.8
330.07544	18.6
331.07721	34.5
344.07651	100.0
345.06223	21.2
345.09601	25.5
346.10074	78.1
362.08707	35.9
367.12793	6.3
368.13733	10.5
499.63599	4.2
508.14880	6.8
516.63843	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	507.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44889	1.5
53.03936	5.0
55.01860	1.9
55.05515	22.7
57.03423	5.4
57.07076	50.5
57.37944	1.6
65.03952	1.5
67.05503	75.1
69.07070	27.5
69.35660	3.8
69.36066	12.6
71.04974	3.8
71.08633	43.6
79.05060	3.0
79.05494	37.7
81.03419	2.7
81.07056	91.9
83.04985	4.7
83.08619	31.7
85.06537	3.6
85.10187	21.1
91.05476	18.4
93.07042	53.0
93.07631	2.6
93.65201	1.8
95.04949	8.5
95.08606	48.8
97.06537	8.4
97.10172	8.9
98.21487	3.7
99.08091	4.7
105.07031	5.7
107.08588	27.1
109.06520	2.8
109.10152	22.0
111.08082	6.9
111.11764	2.6
117.07034	6.1
119.08643	1.8
121.06548	2.0
121.10139	15.6
123.11684	8.4
125.13229	1.7
131.08566	7.4
133.10123	5.0
135.11705	7.2
137.13245	2.3
149.13260	37.8
159.11717	14.4
173.11690	1.7
177.12759	6.6
195.13782	12.1
239.23708	8.5
286.24277	1.6
364.81320	1.6
507.40463	100.0
508.40707	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	25.1
55.09480	2.4
57.03432	3.8
57.07075	54.6
62.82210	2.4
65.70002	2.1
67.05501	80.9
67.39668	2.1
69.07066	29.2
69.32240	13.8
69.32668	13.6
69.99416	2.5
70.85994	2.3
71.04972	4.6
71.08628	43.3
79.05489	37.7
81.03432	7.4
81.07053	100.0
81.07528	5.5
83.04982	5.7
83.08618	32.3
85.06524	2.4
85.10181	16.9
85.79640	2.2
86.49276	2.3
91.05469	20.7
91.53259	2.4
93.07037	43.1
95.04979	7.9
95.08604	44.5
97.06528	7.6
97.10168	10.7
98.21464	4.2
105.07023	8.5
107.08601	29.5
109.10157	23.9
111.08092	5.9
115.20515	2.6
117.07014	9.7
119.08575	4.4
121.10122	14.0
123.11734	10.9
131.08578	11.2
133.10150	15.5
134.30316	2.4
135.11705	10.7
137.13298	3.8
147.11728	3.1
149.13275	27.0
159.11716	9.9
177.12743	5.1
195.13823	11.6
199.55519	2.7
229.14340	3.9
239.23705	9.5
261.22217	3.8
296.00107	2.7
470.84149	3.0
489.35431	5.6
507.27377	59.9
507.40372	93.8
508.27280	8.1
508.40369	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	507.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69806	4.4
52.98542	4.7
55.05497	22.5
56.05022	6.6
56.58129	4.9
56.96552	7.0
57.03432	11.5
57.07070	9.3
65.03954	5.8
67.05500	43.5
67.93395	5.0
69.03405	14.9
69.07058	58.0
70.06581	19.5
70.44930	5.0
70.89861	11.2
70.90211	6.7
71.04987	6.9
72.08126	7.4
72.53561	4.2
79.05489	35.2
81.03413	13.1
81.07053	100.0
82.07339	5.3
83.04968	8.4
83.08609	16.2
84.08164	9.7
85.02900	22.3
85.06513	25.7
86.09686	14.8
88.72977	5.3
91.05473	30.1
93.07035	51.1
95.04976	14.5
95.08598	66.1
97.02897	14.6
97.06544	12.0
97.10148	10.2
99.04446	6.4
99.08090	11.7
105.07020	17.6
107.04917	11.3
107.08580	42.5
109.02862	7.7
109.10150	37.4
110.07206	5.1
111.08070	11.7
111.11717	14.1
117.07034	9.7
119.04889	11.9
119.08583	21.7
120.08123	11.4
121.10120	35.4
123.04424	16.1
123.11723	32.1
125.09602	5.9
127.03928	11.3
130.06564	5.4
131.04955	8.3
131.08606	10.7
133.10132	8.7
135.08105	5.6
135.11728	13.4
136.06160	7.3
137.05980	30.7
137.13251	23.0
139.11150	11.2
145.02847	5.9
145.06528	6.4
145.07600	12.3
145.10124	6.4
147.04335	8.4
147.11728	9.3
149.10683	6.3
149.13232	40.0
151.11192	6.1
153.12749	7.4
157.10098	6.1
159.11626	6.4
161.05959	11.5
161.13292	9.6
163.03886	5.7
163.14772	8.0
167.07068	7.2
175.07663	5.8
177.05432	14.5
177.16333	10.0
181.04889	10.9
187.03828	5.8
199.07556	6.8
207.06526	6.4
219.10225	5.2
269.04562	9.0
287.05682	5.0
291.26849	12.1
297.27985	8.9
309.27985	30.2
315.09695	6.8
345.09570	7.6
349.15231	6.9
355.11694	14.2
359.08606	7.0
367.11829	6.5
377.09698	19.2
463.13779	8.2
489.15469	9.7
507.16644	14.4
508.20255	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	507.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68274	1.7
53.03943	8.6
53.38585	1.9
55.01870	6.1
55.05509	33.8
57.03438	25.3
57.07075	5.9
58.96534	2.1
59.05007	2.5
61.02914	16.3
65.03928	2.7
67.05500	46.1
69.03427	63.3
69.07070	46.3
69.40155	4.4
69.40557	15.3
70.06593	3.2
71.01349	4.2
71.05000	10.3
72.08144	2.3
73.02911	10.6
79.05485	21.4
81.03413	23.8
81.07059	47.9
83.01319	2.4
83.04996	5.8
83.08625	26.1
84.08127	2.2
85.02903	100.0
85.06551	5.8
86.09696	2.4
87.04454	10.7
90.52142	1.9
91.03916	4.0
91.05462	18.3
93.07033	29.2
95.04963	5.8
95.08603	50.2
97.02888	42.1
97.06527	7.6
97.10153	24.2
98.20905	5.9
99.04443	10.8
99.08092	5.7
101.02376	3.8
103.03937	2.8
105.07037	12.7
107.04970	3.5
107.08591	15.8
109.02876	19.9
109.06519	3.3
109.10145	24.9
110.63631	1.7
111.04431	3.3
111.08097	4.9
111.11720	13.8
113.09657	2.4
115.03951	3.0
119.08601	12.2
121.10144	27.3
123.04454	2.4
123.11731	12.5
125.09623	3.5
125.13271	3.6
127.03910	27.8
129.05499	3.6
129.07063	2.4
131.08583	3.3
133.10141	14.0
135.08070	3.0
135.11700	21.3
136.07628	2.8
137.05980	6.5
137.09613	2.8
137.13254	5.9
139.11177	7.1
145.04922	11.1
145.10147	2.2
147.11681	15.7
149.13280	5.3
151.11205	5.7
151.14838	4.5
153.12706	5.3
161.13223	11.0
165.12753	8.6
167.07137	3.1
171.11694	3.0
175.14850	3.7
179.14284	5.8
183.06503	2.6
193.19603	3.7
201.07620	5.7
217.19490	20.9
219.83499	2.0
235.20560	32.8
252.08415	2.3
253.21568	18.2
269.09277	2.2
291.23257	4.9
309.24216	11.7
327.25262	76.6
328.25626	2.6
345.26276	28.4
377.09866	4.2
456.16049	2.4
471.29404	3.6
507.18082	2.2
507.31573	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	507.1502
Annotation	Junipegenin B 7-O-glucoside
Peak:m/z	Relative Intensity
67.05470	0.3
68.40060	0.3
69.07007	0.4
69.98813	1.5
70.06554	0.6
81.03362	0.6
81.07001	0.8
84.38668	0.3
85.02830	0.6
86.09663	0.6
93.07005	0.6
95.08578	0.5
107.08549	0.4
110.25317	0.4
119.08514	0.3
120.08064	0.3
121.02834	1.9
121.03556	0.3
121.10101	0.6
123.04354	0.3
127.03795	0.4
137.02342	8.0
137.03381	0.4
137.05919	0.6
147.04327	0.5
149.02266	1.3
151.03796	0.3
165.00575	0.3
165.01837	5.7
177.01823	0.5
181.04987	0.3
185.05908	0.8
197.05872	0.4
205.04863	0.3
213.05507	1.6
229.04956	0.6
231.06453	0.7
233.04393	1.3
241.04959	2.8
257.04385	1.0
258.05112	0.3
259.05927	1.8
267.02716	0.5
269.04364	1.3
270.05106	0.3
272.03107	0.4
278.09476	0.3
285.03995	0.8
286.04657	1.1
287.05487	10.1
297.03906	0.9
299.05502	0.4
301.03937	0.3
301.06961	1.4
302.07779	0.8
313.06979	0.8
314.04172	0.9
315.04962	11.4
316.05286	0.5
328.05222	0.4
329.06534	5.8
330.07321	41.8
331.07712	0.8
343.08160	0.9
344.08484	1.3
345.06519	3.6
345.09665	100.0
346.10016	2.6
489.42981	0.3
507.14539	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	507.15
Annotation	Junipegenin B 7-O-glucoside
Peak:m/z	Relative Intensity
55.05507	1.0
57.03410	0.8
67.05520	1.3
68.99773	0.8
69.03419	1.2
69.07053	0.8
69.71348	2.0
69.71756	1.9
70.06580	2.3
77.56351	0.6
79.05479	1.2
81.03421	1.6
81.07052	2.3
82.26715	0.5
84.04526	0.6
85.02899	3.1
86.09692	1.6
89.53243	0.5
90.12569	0.6
91.05476	1.9
93.07025	1.0
95.04944	1.5
95.08591	1.8
97.02890	1.2
105.07017	1.2
107.08570	1.1
109.10156	1.3
111.08099	0.8
112.47533	0.6
115.75967	0.6
119.04970	0.8
119.08568	0.7
120.08109	1.4
121.10129	1.4
123.11763	0.9
127.03899	1.1
131.05000	0.9
135.11650	1.0
136.06133	1.6
137.02330	1.3
137.05998	2.2
145.05026	0.7
147.04326	0.8
147.07947	0.6
149.13301	0.7
151.03874	1.3
163.14886	0.7
165.01872	0.8
167.03383	0.6
167.07079	1.3
176.45911	0.6
181.04951	0.6
218.75800	0.6
228.48390	0.6
231.06406	3.1
237.04918	0.6
259.05994	10.9
287.05493	13.7
301.07166	1.0
313.06815	0.9
315.04990	30.0
316.05447	1.1
329.06528	2.8
330.07330	41.9
331.07715	0.9
345.09680	100.0
346.10049	2.7
459.06851	0.9
460.65918	0.7
477.11697	2.9
489.11768	7.5
507.13797	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	507.1498
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
57.03418	0.5
61.02914	0.6
69.03431	1.8
69.64439	1.3
69.64866	0.7
70.06579	0.2
72.08161	0.5
73.02924	0.5
74.07632	0.2
81.03420	0.6
85.02905	2.6
86.09694	0.6
86.13573	0.3
94.40004	0.3
95.04963	0.5
97.02873	1.2
99.04428	0.3
109.02868	0.3
124.05218	0.3
127.03928	0.4
135.04451	0.4
139.03864	0.5
151.03899	17.9
152.04633	0.6
164.04651	0.3
165.01854	1.1
167.03372	0.7
176.04610	0.3
177.05409	0.3
179.03322	0.5
180.04181	1.6
186.06808	0.4
189.05444	0.5
191.07013	0.4
207.06516	0.4
208.10564	0.3
213.19362	0.3
214.06248	0.8
217.04968	1.2
224.03123	0.5
225.05524	0.5
239.06995	0.3
241.04947	0.4
242.05777	2.3
245.04388	0.7
253.04971	3.8
254.05730	0.3
257.08096	2.8
259.06039	3.5
269.04361	0.3
270.05270	1.0
271.05981	0.4
273.07446	0.6
280.97165	0.3
281.04349	0.6
285.07574	3.8
287.05493	6.5
297.03903	0.6
298.04712	5.1
299.05219	0.5
301.07022	4.0
302.07748	3.4
313.07040	20.5
314.07443	0.8
315.04874	1.0
330.07321	22.6
345.09674	100.0
346.09995	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	507.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72850	0.5
55.01867	0.6
55.05497	0.9
60.49809	0.4
61.02912	0.4
65.03934	0.7
67.05495	1.6
68.99786	1.7
69.07070	0.6
70.06589	0.9
71.58292	0.6
71.58667	0.8
78.04693	0.8
79.05485	2.2
81.03413	1.6
81.07059	2.3
83.08604	0.6
84.08152	1.0
85.02888	1.1
86.09705	0.8
89.03903	0.6
91.05480	3.4
93.07036	1.5
93.17828	0.5
95.04974	2.1
95.08614	1.1
97.02891	0.9
102.04697	0.8
103.05476	3.5
103.27022	0.4
104.06218	0.5
105.03379	0.7
105.07018	1.5
107.04955	1.3
109.06507	0.7
115.05463	1.0
117.03397	0.7
117.07080	0.6
118.04176	1.6
119.04962	0.9
119.08587	0.9
121.02854	0.7
121.06503	1.8
121.10202	0.9
123.04435	1.3
127.03900	0.6
128.06261	0.8
129.06996	0.9
130.04153	1.6
131.04924	5.3
131.08589	0.6
132.05714	3.7
133.06516	1.0
133.10120	0.9
134.03671	0.8
135.04430	0.6
137.02342	11.6
137.05994	1.3
140.04680	0.4
141.07013	0.7
145.02817	0.6
145.06493	0.9
145.10121	0.5
146.03650	1.0
147.04436	1.4
147.11685	0.6
148.05197	1.4
149.05991	1.4
151.03911	0.5
153.05545	0.5
153.06946	0.7
153.86171	0.5
155.04936	1.4
156.47876	0.4
157.06493	1.7
160.05199	2.0
161.05989	0.9
161.09677	0.5
163.03900	1.2
165.05559	0.7
166.06114	0.6
167.07042	6.7
167.08476	0.9
169.06543	0.6
173.06044	0.7
176.04706	2.2
177.05487	3.2
178.06354	0.6
181.06491	0.6
183.04417	3.2
185.05972	4.9
187.07468	0.5
191.07069	2.8
192.07811	3.3
197.06004	2.1
199.07501	0.5
201.05432	0.5
213.05424	7.6
221.06073	0.6
225.05444	0.8
226.06241	1.9
229.04948	1.2
237.05457	1.8
241.04932	12.8
242.05737	1.7
251.07246	0.5
252.04259	1.9
253.04948	5.6
254.05736	1.0
255.06294	0.6
262.06326	0.6
263.07120	0.7
265.04962	1.8
267.02847	0.6
269.04443	52.4
270.05063	2.7
280.03714	2.1
281.04492	1.1
282.05231	1.0
283.06015	1.5
289.05130	0.9
295.05942	0.7
296.03146	1.0
297.03912	14.0
298.04694	7.8
299.05460	9.3
307.06161	0.8
309.03986	0.8
309.07480	0.6
311.05585	1.8
320.77432	0.5
323.05536	0.8
327.05136	0.7
339.05048	1.5
345.06079	0.8
353.06656	1.3
369.07779	0.5
413.06555	0.5
415.21371	0.6
431.08044	0.7
457.08936	0.7
459.07263	0.9
463.23059	1.9
473.08838	1.1
474.09512	0.6
477.11792	2.7
489.11774	22.9
490.11984	1.1
507.12878	100.0
507.21127	5.5
508.13220	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40433	0.8
57.21392	1.1
60.04520	1.6
69.03419	3.2
70.02956	0.8
70.06594	5.7
71.57704	0.9
71.58076	1.3
72.08150	2.6
84.04495	2.1
84.08147	2.6
85.02419	1.5
85.02896	11.7
86.81478	0.8
88.07610	1.0
91.05450	6.1
97.02897	3.3
119.04934	15.9
123.04472	1.2
126.72750	1.0
127.03934	2.7
129.10252	1.2
130.05060	1.0
132.08058	0.9
137.05991	1.2
145.04962	3.2
147.04408	100.0
163.06122	1.2
165.05472	45.9
417.85129	1.0
489.16132	1.2
494.96884	1.0
506.17496	1.5
506.34418	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
56.05030	0.5
57.03433	0.3
58.06342	0.2
58.06600	0.4
60.08163	6.9
67.05503	1.8
69.07056	0.3
70.00854	1.1
71.07375	3.6
74.64059	0.2
75.04639	0.2
79.05501	0.4
81.03377	0.3
81.07038	1.2
86.09704	34.4
91.05453	0.3
92.05806	0.2
93.07040	0.4
95.08604	0.8
98.98472	3.2
104.10741	2.9
105.07024	0.3
107.08600	0.2
109.10149	0.3
119.08648	0.2
125.00001	24.4
131.08459	0.2
143.01010	0.3
147.11734	0.2
150.58990	0.2
162.13525	0.2
166.02649	0.2
173.60583	0.2
184.07333	100.0
185.07674	0.2
423.84073	0.2
485.75641	0.2
488.31116	0.8
506.32681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03903	0.8
53.03943	5.9
55.01873	1.9
55.05264	1.1
55.05512	14.3
55.30796	0.8
57.03450	1.5
57.07076	51.1
58.08441	0.8
65.03935	2.1
67.05505	39.3
69.03413	1.9
69.07070	13.0
69.38114	3.8
69.38544	5.0
71.04985	2.3
71.08630	34.4
79.05498	17.3
81.03419	100.0
81.07057	38.6
83.04989	3.4
83.08620	33.0
85.06558	1.5
85.10176	17.8
91.05482	23.0
93.07041	11.1
95.04970	29.8
95.08608	34.3
97.02892	1.7
97.06557	1.4
97.10172	9.6
99.08103	2.1
99.11700	1.7
105.07027	17.9
107.04962	5.2
107.08588	5.0
109.06503	2.2
109.10156	17.3
111.04461	1.0
111.08073	8.7
111.11687	2.2
115.05453	2.0
117.07050	1.8
119.08582	14.1
121.06516	2.4
121.10127	6.8
123.04445	2.3
123.08088	0.9
123.11687	8.4
125.13277	1.2
128.46989	0.8
129.07016	12.5
131.08566	9.5
133.06506	3.4
133.10172	4.9
135.08009	1.0
135.11641	1.4
137.09631	2.4
137.13252	1.7
142.07747	3.2
145.10139	2.4
147.08101	3.1
147.11682	7.4
149.09619	4.9
157.10132	10.3
161.13289	0.9
165.12724	1.9
171.11795	1.1
173.11789	1.0
175.11182	11.0
179.14354	2.0
193.12248	61.8
221.22603	2.0
229.14372	1.2
231.13828	2.3
239.23715	8.9
249.14824	8.4
277.21744	1.0
329.16974	0.9
505.38919	84.3
506.39322	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	505.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01860	2.4
55.05509	13.7
57.03432	2.1
57.07072	47.6
60.39825	0.9
65.03928	1.9
67.05499	33.1
69.03429	1.6
69.07063	12.7
69.94838	4.1
69.95250	1.8
71.04996	1.6
71.08234	1.9
71.08628	35.8
74.51564	1.0
75.03237	0.8
77.18604	0.9
79.05057	1.6
79.05486	17.7
81.03415	100.0
81.07056	34.8
83.04973	5.4
83.08613	37.5
85.06535	1.4
85.10175	19.5
91.05476	25.0
93.07035	12.6
95.04961	26.0
95.08601	34.7
95.62958	0.8
97.02888	2.8
97.06538	1.4
97.10167	9.3
98.21462	1.1
99.08083	1.8
103.05458	1.2
104.15163	0.9
105.07023	15.7
107.04941	6.8
107.08603	4.7
109.06532	3.1
109.10147	17.7
111.08069	8.5
117.07024	2.4
119.04937	2.1
119.08585	12.5
121.06513	2.7
121.10158	5.5
123.04417	1.4
123.08065	1.2
123.11694	6.4
125.13248	1.0
128.06166	1.1
129.07008	11.0
131.08557	8.2
133.06511	3.2
133.10129	4.1
135.11723	1.7
137.09636	1.8
137.13261	3.1
142.07805	2.6
145.10242	1.5
147.08012	2.5
147.11644	6.1
149.09608	5.0
157.10124	9.1
165.12787	1.6
165.16493	1.3
173.93221	1.0
175.11176	11.9
179.14346	2.2
193.12228	64.7
213.12866	1.0
221.22577	1.1
231.13760	1.0
239.23619	10.2
249.14828	6.3
277.21606	2.3
280.60022	1.0
404.01187	1.1
505.38904	82.2
506.39325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
53.43140	1.2
55.01870	1.9
55.05507	18.5
55.95412	1.1
57.03435	9.5
57.07071	6.8
59.05001	3.9
65.03931	3.4
67.05503	100.0
69.07066	10.3
71.04989	4.8
71.08628	3.6
72.01180	1.1
79.05492	28.2
81.03410	9.9
81.07057	35.0
83.04987	1.4
83.08617	12.3
85.06528	3.5
85.10166	1.7
86.09721	1.4
88.59588	1.1
91.05474	38.3
93.07039	28.9
95.04964	7.0
95.08607	22.3
97.06551	1.9
97.10169	5.7
99.08065	2.2
105.07029	36.3
107.04982	2.2
107.08594	18.5
109.06521	2.2
109.10153	69.0
111.08077	5.5
113.09644	1.6
117.07018	10.3
119.08577	38.0
121.02867	3.0
121.10151	13.1
123.11707	3.0
125.09603	3.9
129.06998	7.3
131.08578	13.2
133.10124	21.4
135.11674	12.5
137.09631	3.6
142.07739	1.4
143.08545	3.7
143.10535	1.4
145.10118	12.7
147.11684	32.8
149.09668	1.9
149.13286	7.8
155.01019	1.3
155.10695	2.8
157.10095	7.5
159.11714	12.3
161.13246	21.2
163.11133	2.2
163.14830	2.9
169.10164	1.6
171.10468	1.4
171.11676	8.1
173.11739	20.8
173.13258	7.7
175.11137	2.3
175.14836	10.2
185.13344	6.5
187.14780	1.4
189.11220	1.4
189.12798	1.5
193.12268	5.6
199.14828	3.3
213.16286	2.0
227.12769	4.6
229.14354	46.4
231.21036	5.8
231.71321	1.5
235.16989	1.5
241.19452	19.7
259.20557	52.9
261.22079	3.7
277.21661	1.9
315.23187	4.6
333.24191	27.0
413.30338	2.0
459.92569	1.4
487.34125	6.5
505.33771	4.2
505.39447	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	505.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01853	2.6
55.05515	18.7
57.03431	9.0
57.07057	2.2
59.04990	5.9
65.03933	3.3
67.05504	100.0
69.03412	2.1
69.07060	9.7
71.05004	4.0
71.08633	1.8
71.57806	3.8
79.05492	30.3
81.03431	1.8
81.07056	36.4
83.08628	12.8
84.04507	4.0
85.02908	2.0
85.06516	3.3
86.46204	1.7
91.04906	2.3
91.05470	37.0
91.82173	1.9
93.07040	34.7
95.04972	5.9
95.08594	25.0
97.10182	4.3
99.08122	2.1
105.07027	36.5
107.04968	2.2
107.08598	18.7
109.06491	2.9
109.10158	69.6
111.08072	4.1
117.07012	8.7
119.08577	32.2
119.09370	3.2
121.10145	13.3
123.11677	2.5
125.09583	4.3
128.06171	1.6
129.07021	4.5
131.08551	15.9
133.10127	24.3
135.11697	13.9
137.09660	3.1
142.07814	2.5
143.08563	6.6
145.10121	15.4
147.10545	1.2
147.11678	27.7
149.13272	11.1
149.46562	1.7
155.10651	3.3
157.10110	7.2
159.11711	10.1
161.13274	20.9
163.14769	3.2
171.11703	9.2
173.11737	22.4
173.13251	6.7
175.14871	9.5
184.07359	1.8
185.13199	9.1
187.14781	3.1
189.11185	2.5
194.38695	1.6
199.14755	3.5
213.16464	2.3
227.12784	3.9
229.14354	44.5
231.21088	3.8
241.19537	24.6
242.19525	2.3
259.20572	46.3
261.22168	2.3
275.19946	2.3
277.21600	3.1
315.23206	4.8
333.24234	23.7
370.62366	1.9
421.30536	1.7
487.34494	8.7
505.34998	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	505.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05501	7.9
57.03423	4.2
59.79946	1.8
65.03912	2.3
67.05501	12.2
69.03423	4.8
69.07072	9.5
69.55592	4.1
69.56004	9.3
70.06580	9.5
71.04987	28.9
73.02914	3.1
79.05494	10.8
81.07053	28.5
83.04945	2.2
83.08612	3.4
84.04498	2.7
84.08132	3.8
85.02901	18.0
85.06530	4.7
86.09693	5.3
89.06042	14.3
91.05476	11.7
93.07040	42.5
95.01326	11.4
95.04960	7.1
95.08611	17.2
97.02871	2.6
97.06525	3.1
97.10117	2.3
98.20721	1.7
99.08078	3.4
103.05483	1.6
105.07028	13.4
107.08588	33.4
109.02872	2.0
109.06532	4.3
109.10161	18.5
113.02345	3.4
113.06021	4.3
113.09630	2.7
117.06979	2.1
117.73759	1.7
119.04932	5.7
119.08562	7.7
120.08099	5.3
121.10147	20.7
123.08099	3.7
123.10944	1.9
123.11664	9.8
125.05933	2.3
125.09639	19.8
127.07549	2.0
131.03410	3.1
131.08597	4.2
133.10091	9.4
135.11697	8.4
137.05969	6.5
137.09625	2.6
137.13188	1.7
139.11165	2.0
141.01819	13.9
144.34886	1.6
145.02884	2.3
145.10115	6.8
147.04417	18.4
147.11685	15.7
149.13252	100.0
150.13597	2.3
151.11189	10.1
153.12854	2.0
159.02846	1.7
159.11659	3.7
161.13176	3.2
163.11116	5.1
167.06966	2.6
170.23608	1.9
173.12927	3.3
177.05466	5.5
177.12701	2.2
179.14345	1.9
191.17921	2.7
192.70396	2.3
194.14554	1.7
201.16348	2.9
219.17438	47.6
220.74428	1.6
237.09312	2.1
237.18494	91.4
255.19585	2.5
283.20935	1.8
310.11948	1.6
311.22177	37.7
329.23239	32.2
505.18060	3.9
506.18698	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01865	3.4
55.05516	1.5
57.03432	5.1
57.07103	1.6
61.02922	5.6
69.03077	1.8
69.03430	20.4
69.07066	1.9
70.06590	2.7
71.04992	4.1
71.31251	2.8
72.08125	1.9
73.02923	2.8
79.05487	4.0
81.03426	6.6
81.07048	9.5
83.04968	3.3
84.04503	1.4
84.08153	1.5
85.02903	85.6
86.09711	2.1
87.04461	2.1
90.43734	1.1
90.68571	1.0
91.03970	3.8
91.05488	5.6
91.69309	1.1
93.07048	10.5
93.49320	1.0
95.04971	17.7
95.08629	1.9
97.02892	22.1
97.06535	2.9
99.04459	3.4
103.03953	2.0
103.05503	1.3
105.07042	9.6
107.04961	1.7
107.08593	13.1
109.02864	7.7
109.06541	3.4
115.03926	1.5
115.05471	1.4
117.07029	4.9
117.75851	1.2
119.04922	1.3
119.07788	1.1
119.08578	6.6
121.06515	3.7
121.10150	13.5
125.05975	8.1
127.03915	19.8
130.07803	3.5
133.06566	1.7
133.10104	1.9
135.08096	2.1
135.11708	8.7
135.92946	1.4
137.05971	2.7
143.08540	1.6
145.04959	29.8
145.10121	23.3
147.04416	1.8
147.08069	2.8
163.06042	8.1
163.11177	100.0
165.85706	1.2
167.07074	1.9
167.33269	1.1
177.05363	1.2
181.10741	1.9
181.12227	13.8
185.15485	1.4
205.12155	1.6
208.21065	1.1
223.13329	3.0
289.14349	1.3
307.15533	2.1
369.79752	1.5
505.22681	2.3
506.16632	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04514	15.0
60.05638	25.3
61.02948	5.4
65.55834	5.2
69.02998	5.3
69.03430	11.8
70.06589	49.5
71.04996	5.7
71.57943	6.1
72.08154	99.2
75.84867	5.4
84.08131	8.7
85.02894	21.6
85.04025	24.0
86.02400	6.6
86.07213	6.3
86.09713	10.4
88.08771	7.1
89.10787	12.3
91.05788	9.0
97.02910	29.3
97.07644	17.3
98.06058	24.3
100.08739	8.1
102.05540	7.4
114.10294	31.6
115.08672	7.7
119.05097	5.6
123.04372	7.2
126.05544	13.3
126.06610	5.6
127.03876	8.3
127.08647	5.2
128.07066	26.7
130.09666	7.1
131.12918	38.9
138.10272	8.0
139.08705	7.1
142.09868	6.5
144.06586	14.2
145.04866	5.6
147.04408	11.4
149.02344	9.7
157.10889	11.5
158.21347	5.4
159.12486	7.2
162.07700	16.9
163.03867	14.9
167.05640	6.3
170.76389	6.2
173.13982	7.2
179.03348	5.8
179.81573	5.5
187.11868	31.6
205.08214	9.1
222.10915	13.1
228.34286	5.7
262.14072	7.0
292.15082	7.4
293.18332	51.6
325.14954	12.4
349.17282	30.8
375.49435	5.4
455.21335	7.2
459.20718	11.1
472.21402	11.7
487.20157	20.4
504.33167	5.6
505.21658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1344
Annotation	Isoplatycarpanetin 7-O-glucoside
Peak:m/z	Relative Intensity
54.02437	0.2
54.27236	0.2
59.61278	0.2
67.05494	0.4
69.03419	0.5
69.07058	0.5
69.57580	1.8
70.06595	0.6
71.04967	0.3
78.97977	0.2
79.05482	0.5
81.03410	0.5
81.07063	1.1
83.08617	0.3
84.08140	0.5
84.57902	0.2
85.02891	0.7
86.09695	0.4
91.05471	0.7
93.07023	0.6
95.04965	0.4
95.08597	0.5
97.02899	0.3
98.21089	0.9
107.04932	0.3
107.08607	0.3
109.02928	0.3
109.10133	0.4
115.46677	0.2
121.10114	0.5
123.11712	0.2
127.03918	0.4
134.03651	0.3
136.06224	0.3
137.05934	1.6
147.04388	0.5
149.13275	0.4
151.03876	0.4
153.06892	0.2
161.02322	0.3
162.03104	0.7
163.03801	0.3
163.11133	0.4
165.01833	0.5
167.07047	0.3
169.06435	0.2
171.08072	0.2
173.05963	0.3
177.05399	0.4
179.03384	0.8
181.05003	0.5
181.06482	0.6
197.05977	1.1
198.06619	0.3
199.07472	0.5
201.05457	0.3
208.03668	0.8
209.06009	0.4
212.04666	1.3
213.05403	1.4
215.07034	0.3
225.05470	1.2
226.06213	0.6
227.07051	1.9
229.05000	0.6
237.05457	0.9
240.04175	2.3
241.04912	0.6
241.08566	0.4
242.05817	0.4
243.06485	0.6
253.04951	1.0
254.05757	0.8
255.06488	2.1
256.07315	0.5
257.04395	0.5
259.09604	0.4
268.03690	0.5
269.04526	0.3
269.08151	0.8
270.05234	0.5
270.08969	0.2
271.06067	0.7
272.06808	1.4
282.05121	0.6
283.06006	2.0
284.06799	0.6
285.03882	0.9
287.09149	1.1
297.07535	0.8
298.04617	0.3
299.05487	7.2
299.08957	0.4
300.06177	1.1
311.05447	3.5
312.05948	0.3
313.03387	2.7
314.04144	1.4
315.05042	0.7
315.08615	1.3
327.04968	8.0
328.05765	9.0
343.08112	100.0
344.08566	1.5
360.14694	0.2
505.13382	1.0
505.20099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.5
57.03440	9.8
61.02936	1.6
69.03425	5.4
70.06595	2.3
71.01346	4.9
71.46827	2.7
72.08154	4.8
73.02913	7.4
74.06091	1.4
78.03487	1.5
80.05028	3.5
84.04473	1.5
85.02920	11.7
85.32989	1.3
86.09703	7.4
87.04488	2.3
91.05799	2.4
96.04504	2.8
97.02887	4.7
103.03925	2.0
104.99376	1.5
106.02905	12.3
108.04490	4.5
113.64395	1.3
115.03952	7.4
122.06062	1.5
123.05550	52.2
124.03957	3.5
132.04396	1.9
133.04956	14.9
136.03955	17.8
136.06184	100.0
146.06044	1.9
148.03957	2.1
148.06224	2.7
149.04776	1.9
149.07162	3.0
160.03903	1.6
162.05542	2.2
166.07312	1.8
167.05653	2.4
174.05547	4.7
176.05717	1.4
177.06697	2.2
178.04997	31.0
178.07263	14.3
184.03993	1.6
192.06677	2.0
194.06686	1.7
202.05009	5.8
219.07661	3.1
220.05998	11.7
237.08696	13.0
255.09787	2.0
261.46954	1.9
268.08191	1.9
291.10049	1.6
310.09119	6.7
311.12515	2.4
319.09335	8.4
337.10538	2.3
355.11499	49.8
369.12839	2.4
372.14114	2.2
390.79581	1.4
396.81955	1.3
487.15631	11.8
504.18286	2.7
505.16870	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	503.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76354	1.3
52.29103	1.1
53.03939	2.9
55.01862	1.6
55.05513	17.6
57.03432	1.3
57.07071	3.8
59.04998	1.9
65.03941	3.7
67.05506	73.0
69.03394	1.3
69.07069	14.9
71.04993	8.0
71.19510	2.1
79.05495	32.3
81.03409	7.5
81.07058	100.0
83.04996	1.3
83.08619	10.1
85.06548	10.6
91.05480	26.3
91.06018	1.8
93.07050	33.3
95.04972	7.0
95.08606	24.1
95.26317	1.3
97.06541	2.6
97.10183	4.0
105.07024	19.2
107.04964	1.4
107.08604	17.8
109.06507	1.4
109.10163	17.4
111.08096	2.4
111.11681	1.4
117.07028	4.9
119.08569	12.8
119.09203	1.1
121.06525	1.1
121.10143	14.6
123.11700	13.2
125.09659	1.1
129.07019	2.3
131.08577	8.5
133.10129	15.4
135.11699	8.5
139.11287	1.4
143.08640	1.5
145.10149	7.2
147.11705	5.7
149.09671	1.5
149.13329	3.8
151.11234	3.8
155.08597	1.9
157.10150	2.8
159.11671	6.0
161.13321	3.0
163.14847	2.6
167.05635	1.4
173.11801	2.5
173.13293	4.2
175.14832	1.8
183.11678	1.8
185.13301	1.8
187.13258	8.8
187.14708	1.1
193.12267	2.2
201.16351	1.3
261.22281	3.8
275.20218	5.3
291.57837	1.2
310.04175	1.1
346.66498	1.4
393.31671	1.8
411.32913	2.8
485.36630	2.1
503.37524	55.1
504.37784	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	503.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01869	7.4
55.05514	20.7
57.03440	3.7
57.07072	3.0
59.04987	4.5
65.03936	2.8
67.05508	100.0
69.03439	1.8
69.07067	16.2
71.04983	5.5
79.05492	28.2
79.76025	1.5
81.03415	3.5
81.07054	39.4
81.10746	1.5
83.04967	5.0
83.08621	10.9
85.06530	3.2
86.09695	2.1
89.35437	1.5
90.91399	1.5
91.05454	28.7
93.07047	24.3
95.04960	5.2
95.08613	22.9
97.06527	9.1
97.10187	4.0
98.20670	3.1
98.98466	9.0
104.10695	1.6
105.07028	28.3
107.04931	5.0
107.08591	22.7
109.06535	8.0
109.10155	59.4
111.08092	5.0
115.05439	2.0
117.07032	9.3
119.08579	22.5
121.06512	3.0
121.10147	6.7
122.21420	1.5
123.08028	6.8
123.11751	1.8
125.09649	3.7
129.06984	5.2
130.07762	2.0
130.30707	1.7
131.08566	18.5
132.17181	1.8
133.10141	16.2
135.08026	5.9
135.11670	5.4
136.06189	1.5
137.09621	5.5
139.16879	1.9
141.06981	1.9
141.24623	1.7
142.07780	2.2
143.08582	4.4
145.10124	23.9
147.08061	1.7
147.11665	10.7
149.09645	8.6
149.13300	1.8
155.08575	2.3
157.10089	4.4
159.08017	1.7
159.11688	12.8
161.13248	4.6
163.11182	5.6
167.05524	4.1
169.10094	2.8
171.11726	4.8
172.98328	1.8
173.11743	11.9
173.13300	4.5
177.12686	2.7
179.14337	8.7
183.11671	5.6
184.07364	3.1
185.13266	1.9
189.11226	2.6
191.89253	1.6
227.12878	3.5
229.14357	7.6
229.19467	2.1
239.18042	3.0
257.18973	17.9
259.20712	2.0
275.20062	41.9
293.20972	2.8
299.06183	3.1
331.22708	3.2
331.26315	13.7
349.27295	1.9
405.30035	5.2
485.32645	5.1
503.33734	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	503.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79979	0.3
55.05502	0.9
58.06591	0.5
61.02926	0.5
61.20840	0.3
67.05502	0.7
68.05029	0.5
69.03432	1.5
69.07069	0.4
69.23414	0.7
69.23817	3.0
70.06583	2.5
71.04984	1.0
71.08624	2.6
72.04527	0.4
72.08135	0.6
73.02916	0.4
73.06544	0.7
81.03422	0.8
81.07050	0.7
82.06575	0.7
83.04974	0.4
84.04462	0.4
84.08142	25.4
85.02909	2.1
85.08460	0.4
86.09689	1.2
87.04463	0.3
91.05504	0.3
93.07018	0.4
95.08600	0.4
96.08146	0.4
97.02911	0.6
98.09708	0.4
99.08112	2.6
100.07616	4.9
102.09177	2.9
108.08170	0.3
109.02905	0.4
112.11234	0.7
114.09196	0.6
116.01685	0.3
126.09135	0.4
127.03898	0.4
130.12288	2.3
131.04877	0.4
137.05971	0.6
137.85063	0.3
142.08632	0.5
145.07628	1.8
146.07930	0.7
147.08212	0.4
147.59631	0.3
154.15924	2.6
155.14322	5.0
163.07533	0.4
166.15923	4.5
172.13338	5.3
177.05467	0.4
184.07375	0.5
184.16969	100.0
185.17308	1.1
191.14488	0.3
196.16959	0.5
198.18539	6.1
210.18633	0.5
226.18011	1.0
240.19530	1.8
252.19540	1.5
281.25848	0.7
299.26938	10.7
300.27042	0.4
323.26907	1.1
341.27988	86.8
342.28510	1.6
371.16977	0.6
377.01788	1.0
395.02933	0.8
461.32190	1.1
503.20941	7.6
503.33075	9.6
504.21030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.1
55.01879	5.7
55.05512	25.9
56.50466	3.3
57.03434	11.9
57.07070	6.7
61.02917	11.2
67.05511	33.2
69.03426	35.2
69.07056	24.0
69.56029	20.5
69.56454	6.1
70.06589	18.0
71.04988	12.5
72.04487	3.1
72.08154	9.6
73.02921	6.8
79.05487	28.0
81.03432	18.6
81.07053	61.6
83.04992	7.2
83.08620	8.9
84.04489	10.9
84.08144	11.3
85.02906	63.2
85.06540	18.6
85.64983	3.0
86.09704	12.2
91.05436	20.1
93.07043	42.1
95.04969	14.5
95.08601	37.4
97.02891	35.8
97.06538	6.8
97.10172	7.3
99.04460	11.6
99.08098	8.3
100.11290	3.8
103.05481	7.9
104.21181	3.4
105.07040	23.9
107.08581	26.3
109.02867	11.3
109.06548	8.8
109.10190	25.6
111.04443	4.7
111.08088	7.9
113.06001	20.6
114.10267	3.5
115.05407	4.1
117.07019	6.1
119.04945	5.6
119.08556	15.6
120.08131	4.5
121.06509	6.7
121.10172	26.5
123.08045	7.6
123.11684	15.5
125.06080	3.2
125.09628	9.0
126.98451	3.0
127.03910	22.6
127.07565	3.9
128.06239	6.2
129.07011	4.3
129.10228	5.5
131.04942	5.8
131.08513	4.0
133.02884	5.0
133.06560	4.0
133.10112	11.6
135.08075	4.2
135.11714	11.9
137.05968	47.7
137.09587	5.0
138.06299	4.4
139.07552	9.5
139.11198	5.8
145.02878	3.3
145.05038	5.5
145.10191	8.1
147.04414	16.4
147.11656	11.1
149.09599	3.9
149.13197	5.6
149.19476	3.6
151.07539	4.6
151.11302	3.6
153.09082	25.0
157.10045	3.4
159.08073	7.0
159.11690	9.4
161.05962	9.8
161.13280	4.6
163.07532	4.1
163.11189	6.3
165.12770	5.1
167.05498	5.4
167.07106	4.4
167.10435	3.7
173.13245	3.7
175.07567	8.5
175.14821	5.6
177.05435	9.5
177.12721	4.2
179.14360	10.1
189.09105	3.8
191.17947	4.7
193.04997	5.7
199.07620	5.3
201.16476	4.1
203.08629	4.4
205.04916	3.6
217.19514	3.5
235.20612	7.4
251.10507	3.7
259.07919	4.1
267.06210	3.3
285.07886	4.3
285.72122	3.5
287.23654	10.5
291.10114	6.1
299.06110	9.1
305.24707	28.0
311.12900	6.1
323.12881	6.1
323.25766	57.7
467.30377	4.6
485.17374	4.1
485.31033	12.9
503.17618	6.6
503.24478	100.0
504.24982	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	503.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01873	4.2
55.05289	1.3
55.05512	11.7
57.03420	3.5
57.07059	4.2
65.03934	1.9
67.05505	35.2
69.07066	16.6
70.01867	6.0
71.04967	2.9
71.08639	5.7
75.04472	2.0
79.05493	16.8
81.03393	1.7
81.07055	34.7
82.86335	1.0
83.05003	3.1
83.08607	6.4
85.06561	1.4
87.60413	1.3
91.05435	12.0
93.07038	18.0
95.04985	4.1
95.08604	22.0
97.06535	5.6
97.10167	2.9
98.98463	79.1
99.08101	4.8
105.07023	15.3
107.04958	2.9
107.08588	17.8
109.06511	16.9
109.10139	19.6
111.08100	5.2
116.99513	4.2
117.07021	3.7
118.74014	1.3
119.08584	17.0
121.06486	1.3
121.10158	12.1
122.07291	2.1
123.08070	37.3
123.11703	3.1
125.09637	2.5
126.86685	1.3
128.06238	1.4
129.07019	1.7
131.08566	8.6
133.10103	11.4
135.08054	21.7
135.11674	5.4
137.05936	1.3
137.09636	1.9
141.06946	1.1
143.08571	2.9
145.10141	9.1
147.11691	9.5
149.09625	6.6
149.13295	3.7
151.11169	1.4
155.01018	1.6
155.08603	2.0
157.10156	1.7
159.11687	7.6
161.09618	3.9
161.13240	3.7
163.11194	3.5
165.12753	2.8
167.05542	1.5
167.14354	2.5
171.11745	1.4
173.02074	15.5
173.11775	2.5
173.13225	2.6
175.11104	1.6
175.14830	6.5
177.12755	7.1
179.14313	46.5
191.14244	2.1
193.12239	1.8
193.15834	2.4
205.15875	7.9
233.19003	3.3
236.55759	1.1
247.20609	3.5
257.18976	3.4
263.20068	3.7
275.20074	14.6
289.21564	4.9
293.21198	3.8
299.06128	2.6
303.26767	8.3
313.25311	1.7
331.26309	100.0
332.26779	2.1
349.27411	12.9
369.07245	1.2
369.28091	1.5
375.28754	1.7
387.29111	6.3
405.29987	52.9
406.30011	1.9
407.46356	1.2
423.31119	3.4
485.26633	3.5
503.27295	15.6
503.33701	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	503.2466
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
55.05495	1.3
56.96528	0.4
57.03434	0.8
58.43463	0.4
60.96128	0.4
67.05501	1.1
69.03414	1.4
69.07047	0.5
69.43666	2.6
69.44086	0.8
70.06593	0.9
71.04984	0.4
72.08122	0.6
73.02937	0.7
79.05478	0.9
81.03407	1.1
81.07060	2.3
83.04963	0.4
83.08604	0.7
84.04521	0.4
84.08142	0.9
85.02898	2.0
86.09701	0.6
91.05399	0.7
93.07053	2.7
95.04942	0.8
95.08588	1.4
97.02847	1.0
97.06509	0.8
103.05457	0.5
105.07037	1.8
107.08574	1.1
109.02872	0.5
109.10150	0.8
111.08047	0.6
114.10309	0.4
115.05387	0.4
117.03342	0.6
118.68575	0.4
119.08567	0.6
121.06586	0.4
121.10144	1.4
123.04449	0.6
123.08020	0.5
123.11680	0.7
127.03914	0.5
128.06201	0.4
131.08546	0.5
133.10159	0.4
135.11693	0.5
136.06133	0.5
137.05977	4.7
142.02959	0.5
145.02798	0.9
147.04335	0.5
147.08015	0.6
147.11685	0.4
149.09639	0.9
159.04373	0.4
161.05988	1.1
163.03888	0.7
167.05463	0.5
167.06993	0.4
175.03722	0.5
175.07567	0.8
176.88792	0.4
177.05423	1.4
182.04716	0.4
182.15266	0.4
187.07588	0.6
189.05516	0.9
189.55017	0.4
193.04994	3.6
203.05234	1.1
205.04933	0.8
207.06482	0.4
207.16399	0.4
258.10196	0.4
259.07849	1.1
261.87946	0.4
279.09967	0.5
323.12866	0.5
341.19284	1.0
428.47989	0.4
459.21893	0.8
471.21829	0.8
503.24570	100.0
504.25247	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	503.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08719	6.4
53.03938	13.9
55.01859	18.3
55.05499	20.6
57.03418	27.1
61.02903	7.5
65.03933	8.4
67.05489	21.9
67.38982	7.4
69.03418	28.5
69.07057	28.8
70.06580	18.3
71.01363	39.6
71.04977	12.3
71.58454	13.0
72.08137	8.1
73.02934	54.7
79.05493	57.4
81.03396	8.4
81.07044	65.7
83.04961	19.8
83.08610	9.7
84.04460	8.9
84.08134	15.5
85.02913	100.0
85.06532	16.1
86.09687	23.5
90.76548	7.7
91.05449	46.3
93.07035	97.3
95.01325	9.2
95.04952	31.4
95.08610	34.5
97.02875	26.3
97.06515	27.9
98.01552	8.4
99.04433	22.2
100.11263	9.2
101.02403	8.7
103.03922	11.8
105.07027	87.6
107.04935	9.0
107.08591	96.3
109.02864	12.6
109.06493	38.6
109.10146	23.3
111.04414	8.6
111.08062	11.1
113.02347	33.2
117.06956	18.3
119.08578	69.7
121.06491	27.3
121.10139	17.4
123.08044	17.0
123.11736	7.8
129.05466	18.8
131.03409	19.0
131.08505	11.0
133.06490	9.4
133.10109	25.8
135.08044	30.6
137.05998	58.8
137.09604	15.8
139.07545	20.1
141.01852	19.7
143.08534	11.9
145.02853	12.7
145.10098	21.6
147.04407	17.5
147.08002	15.5
147.11682	86.6
149.09605	8.5
149.13252	10.6
153.09111	11.3
157.08636	7.3
157.10124	20.4
161.05942	10.2
161.13216	23.6
163.07582	9.1
163.11110	9.2
165.12756	21.2
167.05617	18.0
167.06993	18.4
171.11678	23.4
175.11143	22.7
177.05457	22.2
181.04939	7.8
187.07544	11.1
189.12798	34.6
191.14349	10.8
193.12161	41.2
199.11115	19.9
207.13799	21.2
215.05284	8.1
217.12154	48.0
235.13225	28.6
253.14406	18.3
258.05893	8.0
309.16895	12.9
327.18240	16.2
503.20331	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.8
55.01865	15.7
55.05507	15.3
57.03431	24.6
57.03666	4.0
61.02911	3.9
65.03925	5.0
67.05496	23.0
69.03421	14.8
69.07065	13.5
70.06618	8.5
71.01355	37.2
71.04984	10.1
71.57648	3.8
71.58074	6.8
71.66380	3.6
72.08147	6.9
73.02917	42.8
79.05488	52.9
81.07056	55.5
83.04982	20.9
84.04508	5.8
85.02902	84.3
85.06543	9.1
86.09714	7.4
91.05464	42.5
93.07039	80.5
95.01326	11.9
95.04956	19.8
95.08588	29.4
97.02886	23.9
97.06505	20.7
98.18771	4.1
99.00828	7.5
99.04444	26.6
101.02369	12.6
101.05988	6.7
103.03956	11.8
105.07027	73.4
107.04977	11.6
107.08598	81.8
109.06517	28.6
109.10165	22.1
111.08091	11.3
113.02352	33.5
117.06990	7.8
119.08583	51.9
121.06494	32.2
121.10130	19.0
123.08056	4.4
123.11693	5.0
125.05981	5.2
127.07531	10.3
128.07076	10.2
129.05524	19.2
129.06955	8.2
131.03378	23.8
131.08548	14.2
133.06479	10.3
133.10121	47.9
135.08078	23.3
137.05994	29.8
137.09682	3.9
139.07542	10.5
141.01805	20.6
141.05475	4.2
141.06865	3.6
142.07802	4.6
143.07104	6.1
143.08591	13.8
145.10147	20.4
147.04419	4.3
147.07988	7.8
147.11681	100.0
147.12811	7.7
149.13226	7.4
156.09297	8.1
157.10149	14.3
159.02898	7.1
161.05968	7.3
161.09636	4.6
161.13260	17.6
165.12784	27.5
167.07053	23.6
171.11649	24.3
173.09705	4.5
173.13275	12.8
175.07544	11.0
175.11150	30.4
187.07596	4.6
189.12720	41.5
191.14336	15.9
193.12204	39.9
199.11119	19.2
207.13763	33.5
211.13396	10.2
215.05530	9.2
217.12248	60.3
219.07803	4.7
235.13245	40.0
253.14384	14.8
305.08664	5.1
309.16855	15.0
311.05807	5.4
313.07034	9.8
327.18039	27.9
457.93564	4.0
503.21011	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	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72386	0.6
53.03948	0.9
55.01866	1.1
57.03417	2.0
61.02924	1.4
67.05478	1.2
69.03426	7.6
69.58112	3.1
69.58533	2.2
70.06602	1.4
71.04987	1.0
72.08166	1.0
73.02927	1.0
79.05482	3.0
81.03413	3.3
81.07053	3.3
84.04489	1.2
85.02898	16.1
85.06541	1.1
86.09688	1.4
89.03888	0.9
91.05462	4.6
91.34593	0.6
93.07018	1.3
94.04182	3.2
95.04963	1.3
95.08612	1.1
97.02900	5.9
98.21519	0.9
103.05447	3.8
104.06261	0.9
105.07030	3.6
107.04943	1.6
107.08594	0.9
109.02853	2.1
109.06520	3.4
109.10172	0.7
115.05434	3.7
117.07020	1.3
119.08564	3.1
120.08080	0.7
121.06535	1.1
121.10088	0.9
122.03636	8.3
126.05501	0.6
127.03905	2.7
128.06221	2.7
129.07030	1.8
131.04906	5.6
132.05684	2.8
133.06476	2.8
137.05972	100.0
141.06975	2.0
143.04915	0.8
145.04973	1.6
145.06509	0.8
146.03568	0.9
147.04422	2.2
147.08026	3.4
149.05984	2.0
156.05696	0.8
159.08031	1.5
160.05190	2.1
161.05972	12.0
163.07559	6.3
165.06966	0.7
167.07101	0.8
169.06470	0.9
171.08052	1.3
172.05130	0.8
175.07542	31.4
177.05470	2.7
177.09239	0.8
181.04898	1.0
184.05193	1.7
187.07509	5.8
189.06961	1.2
189.08977	1.4
190.07790	1.3
191.08562	4.1
199.07542	14.7
201.09169	1.3
202.07751	4.3
203.08545	9.8
205.06488	0.9
218.07301	1.0
219.08067	7.9
220.08798	2.4
221.09743	0.8
230.07097	1.0
231.08043	11.0
232.08763	2.7
235.07408	1.4
235.11180	1.6
237.09106	1.0
243.08002	0.7
247.07477	3.2
248.08223	5.1
249.09062	1.6
251.10666	6.5
259.07611	5.9
260.08380	2.0
261.09125	1.8
263.10638	4.9
264.11389	0.8
265.08679	1.3
276.07846	2.8
277.08606	3.5
279.10144	5.8
280.10803	0.7
291.10138	11.3
292.10950	3.6
293.08188	0.9
295.10095	0.7
295.13202	1.8
305.24658	0.8
308.10504	2.2
311.12735	12.3
323.12772	19.9
323.25702	1.2
325.14426	1.2
367.73077	0.7
503.19107	3.1
503.32431	3.1
514.31219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.7
55.01853	1.3
55.05489	0.8
69.03413	2.8
69.07047	0.8
69.45883	3.5
69.46314	2.1
70.06590	1.6
72.08147	1.5
79.05490	2.2
80.55657	0.6
81.03390	0.6
81.07047	1.9
84.04486	1.9
84.08142	1.5
85.02900	6.8
86.09696	1.7
91.05466	4.3
93.07030	0.9
94.04172	2.5
95.04982	1.1
97.02881	2.3
103.05474	2.1
105.07037	7.0
107.04938	1.3
109.02888	0.9
109.06510	2.0
115.05463	3.3
117.03381	0.8
117.07025	1.3
118.04168	0.9
119.04928	0.9
119.08575	2.6
121.06530	0.8
122.03638	6.4
127.03889	1.0
128.06210	2.0
128.07066	1.5
129.06999	1.9
131.04968	1.8
132.05698	2.3
133.06462	4.4
137.05974	100.0
138.06317	1.5
145.04935	0.8
145.06526	1.3
147.04445	1.4
147.08041	2.4
149.05988	2.1
155.04863	1.1
156.05743	0.7
157.06444	0.7
159.08073	3.5
159.09229	0.6
160.05190	1.5
161.05981	13.3
167.06908	0.9
171.08040	1.2
172.05200	1.2
175.07545	29.3
177.05432	1.0
179.07054	1.3
184.05185	1.3
184.16945	1.8
187.07556	9.4
189.06987	0.7
190.07768	2.4
191.08534	7.1
192.09401	0.6
199.07561	10.1
202.07777	3.2
203.08514	6.1
205.06454	1.0
207.08032	1.1
207.97119	0.7
210.58737	0.6
217.08653	0.7
218.07333	2.6
219.08041	10.8
220.08798	3.1
220.10725	0.6
229.11858	0.9
231.08080	7.0
232.08768	1.6
233.09592	1.1
235.07613	1.1
236.08295	1.0
247.07535	5.0
248.08299	3.4
249.09123	1.2
251.10670	12.6
259.07520	5.3
260.08267	1.7
261.09161	1.3
263.10654	4.4
264.07742	1.1
265.08591	0.9
276.07779	1.5
277.08661	2.5
279.10159	9.4
280.10699	1.0
281.07858	0.8
291.10117	10.2
292.10858	2.2
293.08044	1.0
295.09912	0.7
295.13251	1.0
299.06290	0.9
303.05002	0.7
308.10529	1.2
311.12738	20.9
323.12747	13.1
341.13611	1.0
341.27939	2.0
377.01755	0.7
384.45413	0.8
503.05850	2.1
503.23495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
53.73562	1.3
55.01854	2.4
56.05037	1.5
56.96567	1.3
57.03425	3.2
60.04519	1.5
60.05619	2.5
61.02922	3.4
62.81667	1.3
66.91170	1.3
69.03428	19.6
69.54053	3.2
69.54466	7.7
70.06594	8.8
71.04989	4.5
72.08160	7.7
73.02934	2.1
81.03413	24.4
82.85070	1.4
84.04499	4.3
84.08131	2.6
85.02893	22.3
86.09705	12.7
91.05860	1.3
96.89764	1.3
97.02892	7.5
97.07648	2.5
98.06068	1.4
98.21481	2.9
98.97593	2.1
99.04433	7.3
102.05542	1.8
108.23651	1.4
109.02874	2.7
112.13435	1.4
114.10275	3.6
119.04961	1.6
127.03917	4.5
130.04994	2.2
131.12918	2.4
133.07639	3.7
135.16508	1.4
137.05969	5.5
142.88536	1.4
143.06325	1.4
145.04938	4.0
147.04391	2.7
157.10962	1.4
161.07068	6.9
163.08664	5.8
177.05455	4.3
179.08081	2.7
189.06578	6.3
191.08145	4.8
207.07643	100.0
227.17459	2.5
241.08177	1.9
249.08539	2.0
259.09222	2.1
299.06046	1.8
300.36661	1.4
323.12372	42.0
341.13425	79.0
503.24139	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	502.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
56.05035	1.8
67.05490	2.0
68.05006	2.7
69.03415	6.4
69.91079	1.3
70.06599	6.8
71.01342	1.4
71.04987	6.6
71.56793	1.8
79.05480	4.4
81.04533	1.9
81.07083	2.5
83.06104	11.3
85.02914	6.2
86.09682	1.7
86.21864	1.4
87.04443	1.6
91.05478	6.4
93.04514	7.2
93.07057	10.3
95.06095	22.2
95.08582	1.5
97.02885	2.0
101.56314	1.3
105.07081	2.4
107.06059	1.4
107.08612	4.5
110.07169	100.0
111.05565	3.0
112.08730	4.6
117.77361	1.6
119.08578	4.7
121.07635	1.8
122.07147	6.4
131.06023	1.5
133.07663	1.9
138.35043	1.4
145.07622	2.8
147.04408	2.2
147.08098	1.7
147.09132	3.2
148.09915	1.8
156.07680	20.6
159.09070	2.0
167.05576	3.8
177.05421	1.8
185.10797	2.0
197.93854	1.4
224.90710	1.4
245.12794	1.9
249.12393	3.8
262.15509	3.6
263.13940	2.1
266.99802	1.6
275.13947	3.3
277.15506	5.7
292.16547	42.8
293.15036	4.4
294.18234	9.5
299.06281	4.2
310.17770	4.3
338.17099	75.1
339.17529	2.3
340.18619	8.0
356.13696	2.7
356.18155	49.7
357.18253	1.6
502.23950	87.2
503.17200	2.1
503.24094	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	501.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
55.05510	63.7
57.03436	31.2
57.07075	54.5
65.03915	2.2
66.81687	1.9
67.05500	77.0
67.62292	1.7
69.07066	94.2
69.93923	6.7
69.94344	2.8
71.04976	3.6
71.08630	35.1
75.04476	7.5
79.05493	29.1
81.07055	100.0
83.04977	4.9
83.08615	65.0
83.62744	1.9
85.06538	5.7
85.10182	22.1
90.03423	1.7
91.05480	7.2
93.07047	37.2
95.04967	3.7
95.08604	97.3
97.06525	21.7
97.10163	46.4
98.21457	2.3
99.08095	3.7
99.11743	1.9
101.06023	3.0
105.07027	4.9
107.08597	28.1
109.10154	46.3
111.08073	14.6
111.11721	17.2
113.06006	2.1
115.07550	4.0
117.07034	1.9
119.08577	3.4
121.10130	40.1
123.11713	21.0
125.09617	10.5
125.13268	3.7
129.09076	4.3
131.07030	2.4
133.10126	2.8
135.11691	34.0
137.13260	8.2
139.11191	8.3
143.10675	4.1
147.11649	2.0
149.13237	15.1
151.14824	2.5
153.12759	11.6
157.12244	4.2
163.14818	11.3
163.47295	2.0
167.14319	7.4
171.13803	4.3
177.16425	5.5
181.15887	3.5
191.17952	5.2
195.17403	5.3
199.16936	3.5
205.19472	2.7
209.19090	2.4
213.18506	2.9
219.21056	2.3
223.20711	2.2
227.20119	2.3
233.22707	2.2
235.20595	2.7
237.22150	2.6
251.23654	3.9
289.28830	11.6
299.27222	2.0
307.29901	20.3
317.28351	14.7
335.29443	39.0
353.30893	2.1
358.36490	2.0
363.50055	1.9
371.31546	83.8
372.31836	2.1
376.74890	2.3
409.33139	52.4
426.27023	1.8
427.34201	61.5
461.63705	2.0
483.36932	14.0
501.37878	47.6
529.61615	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
60.74825	0.4
67.05495	1.9
69.07062	0.8
71.58640	0.6
74.65601	0.4
78.46146	0.3
79.05486	1.2
81.03423	0.4
81.07042	1.4
91.05482	1.2
93.07055	0.9
93.99245	0.4
95.04940	0.8
95.08607	0.6
105.07018	1.1
107.08594	1.1
109.06475	0.4
109.10133	0.4
117.06989	0.4
119.08574	0.8
121.10127	0.6
131.08575	0.7
133.10114	0.6
147.08072	0.3
159.11707	0.5
173.86520	0.4
184.07419	0.5
214.18011	0.7
215.18317	0.5
242.48409	0.3
311.97717	0.3
329.24692	0.4
389.23184	0.4
445.25549	1.4
446.50684	0.3
501.28180	100.0
502.28458	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	501.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01867	4.0
55.05510	63.2
57.03437	33.6
57.07074	57.2
65.03918	2.6
67.05504	74.5
69.07067	90.9
70.30897	2.0
70.31225	9.1
71.04993	5.3
71.08630	46.1
75.04473	15.2
79.05488	30.2
81.07057	100.0
82.93432	1.7
83.04958	5.7
83.08616	70.8
85.06518	6.0
85.10175	26.0
87.08072	2.2
89.20544	1.7
91.05485	10.8
93.07040	45.8
95.04951	2.0
95.08604	95.3
97.06525	18.3
97.10169	45.1
98.06142	1.7
99.08084	3.9
101.06038	3.5
105.07011	9.5
107.08581	31.0
109.10163	46.0
111.08071	14.6
111.11712	13.6
113.05990	2.4
113.09675	3.5
115.07554	3.3
117.06958	2.5
119.08571	9.1
121.10143	39.8
123.11697	22.1
125.09611	12.6
125.13255	7.9
129.09120	5.0
130.74615	2.0
131.07042	7.2
131.08566	6.1
133.10118	2.9
135.11710	34.0
137.13240	8.7
139.11189	11.9
143.10684	2.9
145.10118	5.0
147.11723	4.7
149.13249	17.5
151.14793	2.2
153.12753	10.5
157.12265	5.0
159.11679	3.1
161.13307	3.0
163.14845	11.0
163.67972	2.2
167.14284	8.2
171.11794	2.5
171.13791	4.7
175.14946	2.1
177.16411	7.8
179.14522	1.8
181.15903	6.9
185.13371	3.1
191.17865	3.8
195.17416	4.6
199.16837	2.2
203.17937	2.7
205.19641	3.6
209.18962	5.7
213.18541	3.2
219.21094	3.5
223.20549	4.3
237.22038	4.8
241.21739	2.4
255.23210	2.4
289.28952	11.9
299.27414	3.7
307.29855	24.8
317.28342	17.4
335.29410	42.7
350.31757	2.1
353.30368	4.7
371.31555	85.1
409.33206	46.3
427.34152	62.8
428.34225	3.1
483.36911	23.8
501.38138	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	501.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09588	3.0
55.05502	4.2
57.03187	4.6
57.03434	51.4
57.77159	2.8
61.02912	9.8
63.22329	2.9
63.59962	3.2
67.05492	9.1
67.69091	2.6
69.07053	5.8
69.78674	20.9
71.07368	4.4
74.81755	3.4
79.05531	4.6
81.07053	7.7
83.08604	7.4
86.09699	19.8
91.05480	6.7
93.07044	7.0
95.04988	3.9
95.08600	6.2
97.10161	3.2
98.21432	4.2
98.98458	29.0
105.07004	4.1
109.10160	4.3
117.05493	100.0
117.76622	3.4
122.56182	3.3
125.00004	6.0
131.08524	4.2
135.99124	3.0
154.69727	2.9
155.01039	15.8
159.98909	3.0
163.01509	5.2
164.01028	3.1
172.03123	3.2
173.02122	7.9
184.07361	5.0
195.00304	12.2
215.60785	3.4
247.05730	5.7
253.04704	6.3
311.25821	5.7
329.26868	25.2
443.25250	3.5
502.33017	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	501.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.0
56.05033	2.3
57.03426	2.3
60.04523	12.0
60.05650	15.9
61.02924	1.8
63.53093	1.6
64.91093	1.6
68.37835	1.6
69.03430	9.9
69.38404	15.9
70.06593	43.7
71.03431	1.6
71.32026	1.6
72.04507	1.9
72.05629	3.2
72.08157	68.1
72.93764	3.9
73.06445	2.2
74.06097	2.0
74.07201	5.7
79.05487	2.6
81.03402	3.4
81.07024	2.0
83.06139	2.2
84.04499	6.8
84.05608	5.2
84.08150	6.6
85.02912	20.1
85.04039	3.7
86.02478	1.8
86.06027	2.3
86.07164	4.7
86.09692	5.5
87.07948	3.4
88.05096	6.4
88.08738	6.6
89.03914	4.4
89.10795	6.5
91.05473	18.6
96.04495	5.2
96.05588	2.0
97.02888	13.8
97.07646	13.7
98.06057	17.4
98.07121	2.2
99.09221	3.0
100.05101	3.5
100.07621	1.5
100.08742	3.6
101.02432	2.6
102.06663	3.1
102.10328	2.3
107.04972	2.5
108.04391	2.0
109.02905	2.2
110.07152	5.5
111.05541	1.8
112.08747	4.2
114.05574	2.1
114.06703	2.0
114.10293	41.0
115.03905	2.0
115.08672	9.5
115.85352	1.5
116.08199	7.4
116.11852	2.4
117.03391	10.8
119.04990	2.5
121.02884	5.1
123.04425	3.1
126.05490	3.5
126.06602	2.0
127.03886	4.4
127.08749	1.6
127.09782	3.8
128.07111	3.0
128.08183	6.2
129.10240	4.9
130.09773	3.4
131.04922	2.5
131.12923	18.8
133.02814	3.6
134.03638	2.3
134.06021	2.3
134.97475	2.1
137.06004	13.4
138.10272	3.8
139.08652	5.0
140.08192	2.7
142.09763	3.8
144.06554	8.2
144.07681	4.3
145.02844	40.5
145.04872	2.5
147.04401	11.6
148.05147	2.0
149.02303	8.3
149.05975	4.0
150.05521	2.8
151.03943	4.3
152.08148	3.5
153.05434	2.3
155.08145	2.1
155.12924	2.6
156.07726	2.1
156.11284	4.4
157.10789	9.3
158.09253	3.5
158.97382	2.4
159.04445	3.3
159.12434	9.5
161.05960	1.7
162.05510	1.9
162.07632	10.6
162.96927	2.1
163.03885	8.4
165.05469	6.8
174.96901	2.4
175.03897	12.6
176.04742	3.7
177.01959	3.7
177.05472	90.6
178.05925	2.0
181.04826	2.5
187.11971	3.9
191.03365	3.0
193.04942	3.0
201.13521	2.3
204.10152	1.8
208.06030	3.6
209.04459	6.1
222.10867	7.7
222.85753	1.8
229.12953	5.7
230.07942	2.1
234.99004	6.4
245.12804	4.6
246.11079	2.5
248.09232	3.7
248.12317	2.3
261.12408	2.7
262.10782	10.3
262.13968	4.5
265.15396	2.6
271.10663	1.6
274.14035	2.1
278.13416	3.9
279.13400	6.0
280.11841	4.4
288.13571	2.9
289.12967	1.9
292.15082	2.5
293.18274	4.3
297.14337	5.0
303.14529	1.7
304.12869	5.5
305.11890	1.6
305.16058	7.3
306.16754	2.5
307.17654	15.9
321.15558	4.1
322.13745	2.9
325.03705	17.9
331.17520	4.0
333.15656	2.8
335.17221	16.0
339.16620	16.0
349.18857	7.9
360.47705	1.7
361.18399	1.7
363.16522	3.0
364.15121	2.4
377.18094	3.6
381.17575	4.1
391.19901	1.7
392.06543	1.7
453.19888	2.5
454.20950	8.2
465.19803	3.0
467.21338	17.0
468.15765	3.0
468.22119	32.7
469.19257	6.2
473.22046	2.5
483.20871	11.1
501.15924	3.8
501.21817	100.0
502.21771	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	500.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.5
56.05034	0.9
58.06599	0.6
60.08161	5.1
67.05491	1.0
69.32719	0.6
69.33042	5.3
70.06580	1.9
71.07356	2.1
72.08150	0.9
79.05496	1.0
81.03397	0.9
84.04505	0.8
84.08147	1.2
85.02883	1.2
86.09703	27.2
91.05466	0.8
93.07039	1.1
95.04922	0.8
98.98462	2.9
104.10767	3.1
107.08601	0.6
109.68467	0.6
119.08601	0.6
124.99997	19.2
126.87156	0.5
136.56792	0.5
147.04410	0.6
153.81592	0.5
177.05455	0.7
180.21375	0.6
184.07335	100.0
185.07698	0.7
215.79344	0.5
252.57294	0.5
300.40012	0.5
432.21353	0.9
450.22440	5.0
482.24881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80976	0.3
52.39309	0.2
54.09531	0.2
55.05502	0.4
56.05021	0.9
58.06602	0.5
59.04965	0.3
60.07880	0.4
60.08162	5.5
67.05495	0.4
69.39227	2.2
70.06594	1.3
71.07368	2.5
72.08147	0.8
77.18730	0.3
79.05495	0.3
81.03412	0.3
81.07046	0.5
84.08140	1.0
84.72752	0.2
85.02902	0.4
86.09704	30.7
87.10046	0.3
91.05472	0.4
91.07626	0.3
93.07027	0.4
95.08586	0.3
98.98470	2.3
104.10743	3.1
104.21816	0.3
105.07028	0.3
107.08591	0.6
110.07156	0.3
119.08620	0.3
120.08095	1.1
120.95026	0.3
121.10162	0.3
125.00003	20.8
129.10236	0.4
133.10083	0.3
136.07510	0.6
137.05995	0.4
143.01126	0.4
154.08551	0.3
177.05452	0.3
184.07336	100.0
185.07651	1.0
206.11891	0.3
312.70001	0.2
383.65567	0.3
432.21353	0.9
450.22565	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	500.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.6
60.04509	0.7
70.06583	2.3
71.58025	0.8
72.08138	1.5
75.48994	0.5
84.04475	0.7
85.02885	1.5
88.91671	0.5
91.05466	1.3
93.07069	0.6
94.04187	1.4
97.02888	1.2
114.25844	0.5
122.03646	3.8
127.03942	1.2
137.05972	100.0
138.06332	0.7
139.03920	0.7
140.07053	0.7
147.04405	2.9
149.06029	1.1
151.07550	0.7
154.04985	1.2
168.58791	0.6
177.00623	0.6
179.07042	1.6
181.06493	1.2
195.08267	0.5
213.09183	1.0
241.08566	1.5
273.11224	4.3
285.11200	2.0
324.11185	0.8
435.72488	0.6
500.16006	0.6
500.22546	3.3
503.07520	0.6
523.15778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.7
57.07071	2.6
62.08748	2.6
67.05495	8.7
68.27919	2.4
69.07061	11.8
71.04962	2.7
71.58622	3.0
72.51058	3.0
78.80124	2.5
79.05474	5.7
81.07049	15.4
83.08622	2.8
91.05476	7.6
93.07043	16.7
95.08610	22.1
97.06525	3.2
105.07034	13.0
107.08582	22.7
109.06507	3.1
109.10164	14.3
113.09651	10.4
119.08598	17.0
121.06511	2.7
121.10130	25.3
123.08074	6.3
123.11720	8.8
125.05946	2.5
133.10107	17.2
135.08075	9.1
135.11650	14.7
137.09564	3.6
137.13223	3.2
139.11227	4.7
141.09178	3.6
143.08588	3.6
145.10106	5.5
147.11673	11.7
149.09601	4.5
149.13263	6.4
157.10083	4.8
159.11719	7.5
161.13248	6.2
163.11183	3.3
163.14784	4.5
167.10701	5.2
173.09805	2.6
173.13202	3.4
175.14807	5.9
187.14803	3.0
188.15706	3.3
191.17935	32.8
199.14861	3.2
201.16348	5.1
202.13928	2.6
203.18059	5.0
217.15964	5.3
231.17509	4.5
242.69226	2.7
313.11447	2.6
421.34546	8.2
425.42834	2.8
439.35577	5.1
442.07614	3.7
455.41391	3.0
499.37875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.378
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
51.81237	3.2
53.11631	2.9
55.05503	7.1
57.07076	3.7
59.26628	3.0
64.06721	2.6
64.95174	3.0
67.05496	9.6
69.07062	10.8
69.28582	34.9
71.04984	8.5
79.05475	8.0
81.07050	24.4
81.88525	3.2
89.31137	3.3
91.05476	9.3
93.07042	25.3
95.08624	25.2
97.06517	4.3
99.08085	14.1
105.07024	18.4
107.08588	36.1
109.06512	4.5
109.10159	21.3
113.06040	3.0
117.07000	3.9
119.08571	27.8
121.10149	35.0
123.08080	10.9
123.11733	10.6
127.07544	16.7
131.08557	9.6
133.10110	25.7
135.08083	3.1
135.09184	2.8
135.11703	25.0
137.09612	4.5
137.13287	5.4
145.10118	18.2
147.11684	19.7
149.09563	7.8
149.13257	10.9
155.10638	3.4
157.10146	6.2
159.11713	18.6
161.13257	16.0
163.11185	5.1
163.14879	5.2
171.11700	5.3
173.13281	11.2
175.14874	8.1
181.12146	3.0
187.14861	9.9
189.16414	13.1
191.17941	38.7
199.14746	5.9
201.16484	7.8
203.14258	3.1
203.18028	12.3
213.16631	3.2
215.17966	6.4
217.19403	5.0
231.17599	7.3
249.18480	4.2
421.34705	11.9
439.35602	25.0
439.40976	3.9
499.37854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86450	2.5
53.03936	7.5
55.01870	7.5
55.05512	36.5
57.03432	30.2
57.07061	8.4
59.05001	2.9
61.02927	77.2
65.03937	2.7
67.05505	95.2
69.03426	39.1
69.07066	33.3
69.45692	25.7
71.01356	4.2
71.04995	7.8
71.08622	2.8
73.02914	27.6
79.05495	29.4
81.03420	25.1
81.06581	5.6
81.07056	100.0
83.04986	8.4
83.08620	29.7
85.02433	5.6
85.02905	77.0
85.10165	3.2
86.09705	7.5
87.04461	3.9
91.03954	38.2
91.05488	21.7
93.07040	28.9
95.04967	6.9
95.08605	71.0
97.02896	60.7
97.06511	4.4
97.10169	9.7
99.04450	11.7
99.08085	3.2
101.02385	17.6
101.76070	3.2
103.03937	7.8
104.10758	10.2
105.07043	17.5
105.11082	4.2
107.08599	19.2
109.02869	13.7
109.10146	32.1
111.11718	4.8
117.05493	3.0
117.06962	4.1
119.08576	16.9
121.10141	17.9
123.08074	2.8
123.11757	14.0
124.99953	3.3
125.09583	4.3
127.03925	25.0
129.05490	6.7
129.07115	2.9
131.08603	4.8
133.10146	11.0
135.11699	8.0
137.13213	9.2
143.08626	3.2
145.04938	11.4
145.10101	6.0
147.11673	7.8
149.13252	8.9
151.14784	3.9
157.34492	3.1
159.06554	3.6
161.13284	10.0
163.14810	7.3
173.13358	3.6
175.14799	8.1
183.06552	3.6
184.07341	11.9
186.07770	3.4
240.58276	2.8
245.22639	11.9
260.72256	3.1
263.23718	20.2
275.75250	3.2
303.23190	3.4
337.27365	89.1
379.29056	3.0
385.91559	3.0
445.29288	4.7
481.31793	4.5
499.32779	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	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
55.01859	7.6
55.05506	35.8
57.03434	26.8
57.07069	6.4
59.04978	3.1
61.02923	60.5
65.03931	4.3
67.05502	87.7
69.03429	38.9
69.07062	36.5
71.01353	7.8
71.04988	6.1
71.08636	4.8
73.02911	25.8
79.05491	31.6
81.03409	26.2
81.07050	100.0
83.04978	9.0
83.08616	19.5
85.02897	60.5
85.03373	4.8
85.06525	2.5
91.03951	36.2
91.05476	23.8
93.07034	36.0
95.04953	7.3
95.08597	78.8
97.02885	54.7
97.06525	10.8
97.10172	12.3
99.04453	9.1
99.08077	3.9
101.02389	13.2
103.03944	11.3
105.07024	22.6
107.08576	21.4
109.02857	9.4
109.06508	3.1
109.10156	29.1
111.08083	6.3
115.03925	5.7
116.99494	2.4
117.07036	6.0
119.08582	12.9
121.06483	3.4
121.10141	16.7
122.12833	2.8
123.11709	15.3
125.09591	5.1
127.03896	20.8
129.05463	5.9
130.87674	2.4
131.08554	8.9
133.10117	17.7
135.11649	14.3
137.08403	2.9
137.09589	4.2
137.13246	6.8
145.04976	9.6
145.10138	2.9
147.08096	3.2
147.11678	11.8
149.13266	14.0
153.12683	2.7
157.10054	2.4
159.11703	2.9
161.13243	10.1
163.14787	7.2
165.12758	3.0
169.10216	2.6
173.13271	3.6
175.14841	6.3
183.06532	3.9
187.14819	3.0
195.20439	2.6
245.22623	9.1
263.23688	25.4
303.23209	3.8
337.27365	79.3
353.24716	4.3
365.26917	4.4
371.25909	6.9
389.26987	3.6
406.82269	2.7
464.31018	3.6
481.31573	4.3
499.32703	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	499.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
61.02922	1.2
67.05474	0.7
69.03407	1.8
71.58334	0.9
71.58681	0.8
73.02918	1.6
81.03430	0.8
81.07056	1.2
84.04517	4.4
84.08136	0.7
85.02914	2.9
91.05465	4.1
93.07047	1.4
95.08600	1.0
97.02878	1.8
117.96291	0.7
126.05544	3.4
127.00089	0.7
127.03868	0.8
127.05834	1.1
138.05510	2.2
139.05849	1.4
143.01082	0.8
144.06529	0.7
167.03165	1.1
185.04254	1.1
204.08638	3.9
205.09047	2.0
221.21678	0.8
227.05275	5.2
251.06827	9.3
255.09055	0.7
271.04214	12.0
319.22647	0.7
347.07370	0.8
413.12155	7.9
444.66418	0.7
455.13107	60.5
456.13550	3.9
458.93304	0.8
499.12106	100.0
500.12564	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01875	3.5
55.05516	10.1
56.05033	2.5
57.03433	18.7
57.07058	1.6
58.13088	1.4
59.04993	2.6
61.02924	13.1
66.77036	1.4
67.05500	40.3
69.03423	20.4
69.07057	6.8
70.06594	1.5
71.01350	2.4
71.04990	15.4
71.58219	2.7
72.08149	1.6
73.02915	29.3
79.05487	13.2
81.03423	10.2
81.07052	68.0
83.04989	6.2
83.08611	8.4
84.04501	83.0
84.08135	2.8
85.02904	24.9
85.04821	1.4
85.06547	10.0
91.03955	5.7
91.05474	14.2
93.07043	21.5
95.04963	5.9
95.08599	9.4
96.04507	8.2
97.02887	20.9
97.06534	6.1
97.10138	1.9
98.06041	4.4
99.04464	4.6
99.08047	3.1
103.03964	2.4
105.07015	6.3
107.04956	3.0
107.08578	9.5
108.04466	3.1
108.65492	1.3
109.02863	11.1
109.06527	3.7
109.10150	6.9
109.89857	1.3
111.04431	4.6
111.08089	2.5
115.03928	13.6
117.07023	5.4
119.08568	2.7
121.06538	1.7
121.10159	5.8
123.11681	10.8
124.07631	1.6
126.05508	91.8
127.03912	10.9
127.05863	2.6
131.05028	1.3
131.08565	5.5
133.04910	3.0
133.10144	13.8
135.11716	4.3
138.05495	55.4
140.10735	2.5
144.06543	8.2
145.04961	4.1
147.11710	1.7
149.09593	1.5
149.13251	12.3
151.11180	5.0
154.08618	1.7
159.11693	15.8
161.13417	2.3
163.06029	3.8
168.06549	16.8
169.12253	3.1
174.05435	1.8
177.05467	1.7
177.12744	24.5
179.14296	11.1
183.13823	1.7
186.07585	12.3
187.13258	13.9
193.12273	2.2
195.13852	6.1
204.08661	96.6
205.09087	2.6
211.08701	2.6
225.10208	2.5
239.11769	2.9
243.15913	45.4
251.16496	4.9
253.09735	2.0
267.11298	5.4
269.17456	100.0
270.17780	2.9
295.10748	4.0
295.15262	1.8
301.20081	7.0
313.11853	17.2
313.16443	29.7
321.16980	2.2
339.18051	5.7
341.11444	4.7
366.13904	7.0
371.20584	9.2
373.13922	43.0
413.21500	1.7
499.21832	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	497.311
Annotation	Lesterone
Peak:m/z	Relative Intensity
50.39307	2.3
51.02371	3.7
52.02899	2.2
53.03941	8.9
55.01874	11.6
55.05509	29.8
57.03439	43.6
57.07077	7.2
61.02925	60.1
63.08849	2.6
65.03956	4.4
67.05505	100.0
68.05808	2.9
69.03424	51.2
69.03769	4.2
69.07071	27.5
71.01353	12.1
71.04990	10.6
71.59174	3.8
73.02920	46.0
79.05062	5.0
79.05493	68.5
81.03423	32.6
81.07057	94.8
83.04977	16.2
83.08620	13.7
84.04501	54.4
85.02905	65.7
85.06532	5.5
87.04481	4.0
91.03955	42.5
91.05480	57.9
93.06470	5.8
93.07044	84.2
95.04976	18.4
95.08601	67.3
96.04501	6.6
97.02888	53.4
97.06534	12.3
97.10167	8.0
98.06065	3.5
99.04459	13.6
99.08085	4.2
101.02392	7.6
103.03947	8.0
105.07037	49.3
106.10618	2.9
107.04962	9.3
107.08588	47.8
109.02876	8.8
109.06528	7.2
109.10172	25.3
111.04426	5.4
115.03934	8.5
117.07011	21.9
119.04937	4.2
119.08570	35.3
121.06513	9.3
121.10146	40.3
123.08082	4.3
123.11691	13.7
125.09643	5.2
126.05521	44.0
127.03902	14.1
129.05484	8.4
129.07028	15.7
131.08554	42.3
133.06485	4.0
133.10132	29.8
135.08078	7.9
135.11688	22.5
137.03249	3.4
137.09656	4.8
137.13242	4.8
138.05518	27.3
141.06963	5.0
142.07808	5.3
143.08569	15.8
144.06633	5.3
145.05011	5.9
145.06491	5.2
145.10121	22.2
147.08044	8.1
147.11696	19.6
149.09612	9.2
149.13284	17.6
151.11200	4.8
155.07074	3.3
155.08559	6.1
157.06497	3.4
157.10135	9.1
159.06567	2.5
159.08025	6.7
159.11668	16.0
161.09656	4.9
161.13278	13.7
163.11197	9.1
163.14807	9.4
168.06570	8.9
169.10127	8.3
171.08067	4.8
171.11678	4.8
173.09665	4.9
173.13240	15.5
175.14827	9.1
177.12755	4.0
183.08075	3.3
183.11813	5.4
185.13300	10.6
186.07626	6.5
187.14894	12.8
189.16411	3.5
191.14334	3.0
193.12244	4.9
197.13271	4.8
199.14857	4.8
203.14333	3.9
204.08676	50.6
204.10457	4.7
207.11494	3.5
211.14915	3.3
225.12675	3.9
227.14313	4.1
229.15874	3.5
233.22571	4.3
233.42494	2.9
239.17821	2.8
241.19362	3.9
243.17458	3.4
243.21040	11.6
255.21045	2.8
259.20624	4.5
261.22098	29.6
267.20950	3.2
273.22235	8.1
275.23688	3.3
277.21689	7.0
285.22125	3.7
301.21783	3.2
303.23160	14.4
315.23175	7.4
317.24802	4.2
327.23184	8.0
333.24167	6.1
335.25781	38.3
341.24771	3.1
345.24313	4.2
347.26227	4.1
351.23169	8.1
357.24179	2.9
359.25922	3.0
369.24142	19.0
377.26941	7.3
387.25266	10.3
389.26999	4.3
405.26257	8.4
419.27823	9.6
431.27783	8.7
443.27896	34.2
461.29095	16.3
479.29773	16.4
497.31192	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	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.8
55.01864	7.0
55.05510	24.2
57.03435	32.2
57.07061	4.2
59.04973	1.6
61.02923	68.4
61.24453	0.9
65.03933	6.8
67.05499	100.0
68.05812	1.3
68.12218	0.9
69.03425	42.3
69.07064	21.9
70.30193	4.7
71.01349	8.5
71.04990	8.8
71.08619	1.2
73.02914	36.3
75.04456	2.4
77.03872	1.5
79.05486	59.4
81.03413	26.9
81.07050	98.7
82.07358	1.9
83.01315	1.6
83.04983	8.9
83.08615	11.0
84.53403	1.0
85.02898	63.5
85.06538	2.5
87.04445	3.9
91.03949	34.7
91.05473	46.9
93.07037	72.5
95.04974	12.9
95.08599	76.5
96.08984	1.1
97.02885	50.1
97.06522	7.0
97.10144	4.4
99.04449	12.3
99.08085	2.2
101.02374	14.3
103.03937	9.2
103.05398	1.6
105.06304	1.3
105.07020	35.1
107.04906	3.6
107.08587	37.3
109.02873	8.5
109.06511	6.1
109.10147	35.3
109.10699	0.7
111.04452	4.9
111.08057	2.8
115.03903	4.6
117.05473	2.5
117.07003	12.6
119.08578	25.9
121.06491	2.8
121.10134	33.3
123.04445	1.3
123.08035	4.4
123.11701	13.3
125.09624	2.5
127.03905	22.7
128.06242	1.5
129.05449	6.6
129.06979	5.7
130.07755	1.1
131.08565	21.6
133.06476	2.0
133.10124	20.1
135.08044	3.5
135.11681	19.6
135.45807	1.1
137.05989	1.6
137.09581	3.3
137.13240	3.7
139.11182	1.9
141.06935	2.1
142.07738	1.5
143.08563	5.6
145.04942	7.9
145.06464	2.7
145.10115	15.0
147.08029	2.4
147.11678	14.4
149.09596	3.6
149.13260	10.6
151.11153	1.8
155.08510	2.0
157.10112	4.7
159.06546	1.8
159.11665	10.1
161.09521	1.6
161.13260	8.4
163.11165	3.0
163.14798	6.2
165.12704	2.5
169.10112	3.0
171.06456	1.4
171.11713	4.3
173.09537	1.8
173.13254	11.2
175.11272	1.4
175.14822	4.4
177.12767	2.8
177.16379	2.2
179.14320	1.7
183.06505	4.6
183.11652	1.8
183.88216	1.0
185.09607	1.1
185.13210	3.7
187.11125	1.7
187.14775	3.3
189.16380	1.5
191.14284	1.6
195.11713	1.5
197.13213	1.1
201.07587	3.0
201.16364	2.1
205.15889	1.1
209.13258	1.4
213.12631	1.3
232.65669	1.0
241.19370	1.5
243.21008	6.4
259.20496	3.3
261.22131	18.7
262.22464	1.0
268.16208	1.2
271.20642	1.3
273.22144	1.4
277.21600	2.2
279.23080	1.4
281.22791	1.4
285.22043	1.6
289.21555	1.2
301.21631	2.2
303.23178	3.5
315.23080	1.7
317.24808	2.3
333.24176	1.5
335.25778	55.8
345.24097	1.9
351.23282	2.1
359.26019	1.1
363.25198	2.4
369.24191	4.2
387.25372	1.7
396.75079	1.1
419.27829	1.2
443.27814	3.9
461.28812	2.5
479.29935	4.4
479.54056	1.1
497.31125	9.4
517.24536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
56.05033	0.6
56.69432	0.2
57.03436	0.2
57.07070	0.7
58.06613	0.4
60.08163	7.1
63.14605	0.2
66.49289	0.2
67.05496	0.8
69.07064	0.4
69.84792	1.3
71.04991	0.2
71.07376	3.5
71.08617	0.6
71.12267	0.2
74.65801	0.2
77.38580	0.2
79.05501	0.3
81.07050	1.2
82.07378	0.2
83.08609	0.3
85.10205	0.2
86.09703	34.6
93.07040	0.6
95.08604	0.6
97.75743	0.2
98.98464	3.5
104.10740	3.5
105.07003	0.3
107.08588	0.2
109.04489	0.2
125.00001	23.3
143.01021	0.4
184.07335	100.0
185.07640	0.7
313.27148	0.3
361.88483	0.2
378.03836	0.2
478.32742	1.0
496.34143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77228	2.3
53.03936	14.4
55.01858	8.2
55.05517	25.8
57.03438	39.7
57.07060	5.8
61.02929	30.8
67.05505	88.9
69.03431	50.0
69.07068	24.4
71.01355	4.2
71.04999	10.3
71.58919	4.0
73.02929	18.0
74.63840	3.0
75.04459	3.0
79.05062	4.7
79.05492	61.6
81.03416	64.5
81.07058	100.0
83.04990	6.6
83.08622	11.1
85.02905	58.4
87.04469	3.6
89.07446	2.6
91.03954	14.6
91.05474	41.7
93.07040	64.0
95.04975	9.9
95.08606	72.1
95.09174	5.7
97.02896	47.6
97.06561	4.4
97.10152	3.4
99.04448	21.5
101.02357	7.4
103.03923	30.6
103.50928	2.9
105.07034	26.3
107.08589	35.4
109.02878	28.3
109.06516	4.7
109.10144	33.6
111.04449	5.1
115.03947	6.3
117.05505	4.6
117.07026	9.7
119.08578	21.8
121.06478	3.2
121.10149	34.5
123.08135	3.7
123.11713	11.7
125.02396	3.3
126.05550	3.7
127.03914	31.5
129.05492	4.2
129.07018	6.8
131.08554	18.0
133.06512	3.4
133.10143	19.1
135.11674	19.3
137.13277	4.2
143.08586	7.6
145.05000	8.0
145.10123	17.0
147.11676	13.7
149.09605	3.3
149.13260	13.1
157.10086	4.1
159.11707	11.3
161.13271	9.3
163.14775	6.8
169.10190	3.0
171.11751	3.0
173.13269	11.7
175.14873	4.6
177.12651	3.7
183.06572	11.5
183.11731	3.5
185.13339	4.3
187.14880	4.8
199.14944	2.9
201.07677	4.1
201.16353	3.7
243.21143	5.0
261.22134	17.1
263.23566	5.6
303.23300	3.1
305.49014	2.7
335.25711	43.4
369.24219	4.6
405.26352	9.2
424.70352	2.9
497.31027	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	496.3396
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.02728	0.2
55.05507	0.4
56.05031	1.9
57.03426	0.8
57.07071	3.5
58.06588	1.6
59.07372	0.4
60.08162	17.2
67.05494	0.6
69.07083	0.4
71.07372	6.7
71.08635	2.0
81.07042	0.8
83.08619	0.7
85.10167	0.8
86.09705	51.0
87.10023	0.4
93.40289	0.2
95.08607	1.1
97.10117	0.3
98.23010	0.3
98.98463	4.1
104.10741	100.0
105.07072	0.2
105.11076	0.8
109.10229	0.3
113.75244	0.2
118.42241	0.3
125.00002	29.3
143.00989	0.4
163.01523	0.7
184.07336	97.7
185.07683	0.6
199.03554	0.3
226.21179	0.3
239.23691	0.3
258.11002	1.1
313.27417	1.7
368.96939	0.3
419.25787	0.4
478.32956	8.6
489.04462	0.3
496.33984	20.3
497.34158	1.2
498.98267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
56.05005	1.1
58.56085	0.7
60.04262	0.9
60.04521	5.5
60.05646	2.4
61.02921	0.8
62.21338	0.7
63.49569	0.7
69.03424	3.1
70.06590	6.4
70.26851	3.4
72.08158	20.7
84.04528	1.8
84.05630	0.8
84.08161	1.5
85.02903	7.6
85.04028	1.4
86.07185	1.4
88.08757	1.6
89.10785	1.8
95.30468	0.8
96.04514	1.2
97.02897	7.4
97.07661	5.7
98.06055	6.7
99.04469	1.1
100.08746	1.0
103.05445	1.8
107.04964	1.0
109.02828	1.3
110.29742	0.8
114.10288	19.5
115.03945	1.5
115.08691	5.7
120.08122	1.1
123.04458	1.4
126.05496	1.1
127.03957	2.2
130.06558	2.3
131.04921	5.0
131.12921	3.3
133.06519	2.0
135.04414	1.1
136.07568	1.5
139.03853	1.1
139.08646	1.5
140.08212	1.5
144.06569	4.5
144.07602	0.9
146.03656	1.5
147.04410	11.8
148.07584	1.7
153.10204	1.7
154.09627	1.1
155.12907	1.0
156.11356	1.1
157.10854	6.2
158.05994	7.7
158.09224	1.3
159.04411	2.4
160.07593	1.7
161.06006	2.1
162.05518	5.2
162.07573	3.9
163.03906	1.9
176.07066	1.9
178.08603	1.1
180.08682	1.6
186.05498	31.5
186.07176	1.5
204.06631	2.5
212.15125	1.3
215.11703	1.1
217.13278	0.9
222.10826	1.1
229.12953	1.0
231.88139	0.8
256.14386	2.0
257.12839	6.1
258.12469	1.9
260.13934	1.1
262.14218	1.0
274.15543	2.7
275.13818	4.1
277.16641	3.4
292.16702	1.6
293.18478	1.0
299.15015	3.9
316.17709	3.5
317.16071	1.8
319.16296	2.7
334.18741	14.0
345.18414	0.9
352.15475	0.8
359.17078	1.0
376.19852	1.7
385.57217	0.8
401.18341	1.0
437.20505	1.1
438.21039	1.1
439.21967	6.3
456.22314	3.8
460.21860	1.0
478.23077	13.7
496.24033	100.0
497.24161	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
53.45451	1.4
53.86697	1.4
55.01878	2.0
55.05513	2.0
57.03429	14.6
58.89358	1.3
59.04989	2.0
61.02914	4.9
67.05499	5.5
69.03426	18.5
69.07088	1.7
69.79173	2.8
69.79581	6.5
70.06596	9.0
71.01344	1.4
71.04974	2.2
72.08150	2.4
73.02921	17.9
75.04492	11.2
79.05490	12.0
81.03422	5.8
81.07050	13.3
83.04994	2.9
84.04518	1.8
84.08138	4.0
85.02905	24.9
86.09707	4.4
87.00846	2.1
87.04455	3.6
88.07654	2.6
91.05476	17.0
93.07042	100.0
95.04974	17.9
95.08604	9.3
97.02894	21.1
97.06529	3.9
98.09634	1.6
98.21176	4.6
99.04466	2.4
105.07035	12.8
107.08597	12.3
109.02863	2.4
109.06517	3.1
109.10138	2.7
110.09702	1.7
111.04431	3.0
111.08084	11.3
115.03938	17.1
117.07008	3.2
119.04920	2.8
119.08588	9.7
120.08150	3.4
121.06535	3.9
121.10141	90.3
123.04392	2.2
123.08064	4.5
123.11710	4.2
125.05997	4.2
127.03915	8.9
131.08562	6.1
133.04933	3.3
133.10141	3.7
135.08028	2.3
137.05946	1.9
139.11183	20.3
145.04970	6.4
145.10121	6.1
147.08051	4.0
149.06006	2.4
149.09613	20.6
151.11128	4.6
161.09589	4.1
163.11139	1.8
165.09081	2.5
167.10674	75.2
171.11685	1.8
177.05402	3.4
179.10641	2.7
182.15396	2.0
187.11256	1.7
191.10695	6.2
193.12186	1.6
194.15440	2.5
199.11092	2.2
203.10762	1.8
207.10179	7.8
212.14697	1.7
212.16417	9.5
217.12198	2.2
227.10719	2.1
230.17603	3.9
233.11679	3.6
235.13353	4.3
241.06842	1.7
245.11772	6.2
248.18550	3.2
263.12799	6.5
281.13834	31.9
299.15088	1.6
311.14868	3.1
331.54709	1.7
368.58569	1.8
478.22760	2.0
496.24152	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	496.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01867	2.1
55.05496	6.6
57.03447	6.9
67.05512	13.7
69.03407	3.4
69.07069	7.0
70.06584	5.1
71.05006	2.1
71.32848	1.5
71.58012	1.9
79.05501	10.7
81.03405	1.9
81.07056	39.5
82.07395	2.2
83.04977	4.9
83.08617	3.5
84.08149	2.6
85.02905	3.8
85.06541	3.1
86.09702	2.7
91.05486	13.2
93.07037	9.3
95.04957	3.5
95.08624	8.1
97.02881	2.3
97.06543	3.9
99.04449	1.8
99.08069	1.6
105.07027	16.6
107.04945	2.0
107.08608	8.8
109.06559	4.1
118.57426	1.4
119.08581	19.9
121.10164	14.2
123.08062	2.0
123.11720	18.3
127.07540	1.5
129.07048	1.6
133.10121	2.4
133.39699	1.4
136.06154	1.9
137.05939	2.5
141.01836	6.1
147.11693	41.3
152.05688	1.5
157.10146	2.5
165.12756	17.1
175.11133	2.3
177.05489	1.9
183.13795	2.5
184.07358	2.7
229.14282	7.3
267.15933	45.0
285.16962	100.0
286.17535	2.4
329.06604	1.6
330.06848	2.8
355.13239	2.4
452.28885	1.6
461.20309	3.5
468.33035	1.7
478.27213	3.2
496.20868	2.3
496.27945	2.4
497.10608	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	496.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
51.38910	1.0
53.03930	2.7
55.01866	2.0
55.05503	2.8
57.03437	14.5
57.07074	1.2
59.04985	1.2
61.01146	1.1
61.02913	4.7
67.05489	4.2
69.03078	1.5
69.03423	17.3
69.07059	1.9
69.36292	9.4
69.36697	2.3
70.06592	6.7
71.01341	2.0
71.04970	2.6
72.08144	2.7
73.02914	15.3
74.06046	1.5
75.04476	14.0
77.26069	0.9
78.74160	1.0
79.05497	8.7
81.03407	6.0
81.04573	1.0
81.07053	10.1
83.04958	1.9
84.04472	1.7
84.08135	3.9
85.02900	21.7
86.09700	8.8
87.04454	3.1
91.03946	1.1
91.05471	15.1
93.07041	100.0
94.07395	1.4
95.04967	18.4
95.08600	9.7
97.02876	18.7
97.06498	2.2
98.21524	1.9
99.04444	2.1
103.05476	1.3
104.49509	1.0
105.07031	12.9
107.04960	1.8
107.08586	8.0
109.02882	2.9
109.06515	2.7
109.10123	1.8
110.07156	2.0
111.04434	2.1
111.08090	13.0
115.03909	15.8
117.07009	2.2
119.04958	1.2
119.08578	9.5
120.08116	1.1
121.06494	3.6
121.10140	98.3
123.04414	2.7
123.08077	3.9
123.11718	2.8
125.05994	2.2
127.03934	4.8
129.06985	2.3
129.10228	1.8
130.07631	1.0
131.08568	4.0
133.04968	3.4
133.06477	2.7
133.10107	3.8
135.08029	3.9
135.11664	1.3
136.07607	1.4
137.05978	2.2
137.09586	1.1
138.12729	1.0
139.11182	15.8
142.07739	1.2
143.08575	3.1
145.04933	3.8
145.06451	1.4
145.10110	4.2
147.04375	2.6
147.08052	2.7
149.09608	17.6
150.57562	1.0
155.08601	1.1
157.10094	2.9
159.11641	1.1
161.09641	4.3
163.06075	2.1
163.07506	1.3
163.11151	2.9
165.09154	1.6
167.10670	61.7
171.08028	1.2
171.11638	1.2
173.09592	2.2
175.11198	2.9
177.05527	1.8
179.10672	1.6
185.11775	1.7
189.09056	1.4
191.10703	5.8
199.11223	3.0
207.08420	1.0
207.10089	5.9
209.11684	2.4
217.12265	2.5
221.11690	2.2
221.18872	1.1
223.05923	1.3
225.11266	1.3
227.10585	2.0
233.11679	2.7
235.13240	3.0
241.07082	2.1
245.11717	4.1
253.14380	1.9
263.12817	4.5
281.13855	22.7
295.09970	1.9
299.14948	2.3
311.14761	2.7
329.15833	1.5
334.06107	1.7
357.02188	1.1
452.20074	1.6
460.32782	1.5
496.18741	6.3
502.42780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48767	1.0
53.03934	2.4
55.01869	2.7
55.05505	16.7
57.03426	3.3
63.47364	1.0
65.03948	2.1
67.05502	42.5
69.03442	2.6
69.07063	17.7
69.65723	2.0
69.66130	7.3
71.04999	7.5
79.05482	29.0
81.03412	2.5
81.07050	100.0
83.04978	8.0
83.08620	10.4
85.02914	3.0
85.06532	6.3
91.05474	30.8
93.07042	20.5
95.04958	4.5
95.08603	20.6
97.06489	7.1
97.10181	3.1
99.08076	4.0
101.05996	2.0
105.07020	44.0
107.04962	1.8
107.08579	15.0
109.06527	5.4
109.10171	4.6
111.08079	3.8
116.03467	1.1
117.07021	2.6
119.08566	33.6
121.10137	23.8
123.08088	4.5
123.11696	33.0
125.09636	2.4
127.07574	4.7
131.08592	3.0
133.10141	3.1
135.07970	1.2
135.11662	1.7
137.09598	1.3
137.13216	2.1
141.09059	2.1
143.08623	1.2
145.10155	3.1
147.11678	76.9
148.12018	2.0
149.09659	1.4
157.10065	1.5
165.12744	37.5
166.00455	1.1
175.11153	2.0
183.13832	4.7
191.10597	1.3
193.12274	2.7
209.11748	1.2
211.13379	1.7
229.14375	7.5
229.16270	1.2
247.05035	1.3
267.15903	36.5
285.16931	2.2
328.77328	1.2
449.29141	1.6
459.27109	1.7
477.28372	5.0
495.29468	23.5
496.29749	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01850	3.8
55.05291	2.4
55.05510	21.2
55.90331	2.3
56.96567	2.5
57.03423	9.0
61.02907	7.8
63.01106	2.3
65.03927	3.9
67.05181	3.1
67.05502	42.7
68.88799	2.7
69.03414	8.1
69.07069	21.0
69.40328	21.6
70.57115	2.2
71.04990	5.0
73.02918	6.6
79.05490	27.1
81.03397	8.4
81.07053	100.0
83.04965	10.5
83.08600	10.5
85.02907	11.3
85.06529	5.3
91.03930	4.0
91.05474	34.6
93.07043	31.0
95.04961	8.0
95.08609	23.5
97.02872	6.7
97.06516	8.0
99.08065	6.1
105.07032	43.0
107.08589	18.0
109.02882	2.3
109.06506	6.5
109.10162	4.8
109.61181	2.2
111.08084	4.2
113.06010	2.3
115.07501	2.9
117.07034	5.7
117.38530	2.5
119.08581	34.2
121.10133	25.4
123.08095	4.0
123.11699	26.7
127.03915	2.3
127.07604	2.7
129.07018	5.6
131.08531	10.8
133.10117	6.6
135.11684	7.5
137.13185	2.6
143.08580	3.1
145.10118	7.1
147.11681	58.2
157.10149	5.0
159.11725	7.8
159.79767	2.3
161.09636	2.5
161.13219	3.5
165.12726	33.7
171.11650	6.1
173.13182	2.6
181.10172	3.3
187.14833	2.4
211.13277	2.9
226.74455	2.4
229.14310	5.4
267.15936	34.9
285.09924	3.1
333.24194	6.4
349.21466	2.6
367.22684	4.6
385.23517	3.4
441.26080	5.3
441.50629	2.8
445.36505	2.5
449.28818	2.6
459.27313	3.1
477.28180	10.2
495.29666	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	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64944	3.3
53.03931	9.8
55.01880	16.9
55.05507	35.1
57.03437	32.6
57.07077	4.9
59.16522	3.9
61.02924	45.1
61.86163	3.3
65.03937	5.7
67.05166	6.5
67.05502	74.0
69.03426	40.9
69.07069	29.6
71.01350	7.1
71.04985	13.2
71.08597	3.9
73.02911	24.6
79.05487	86.9
79.05906	6.5
81.03420	30.1
81.07054	94.3
83.04977	21.8
83.08625	14.5
85.02902	52.9
85.06536	7.9
87.04414	4.0
91.03947	31.1
91.05477	87.9
91.06011	5.7
93.07039	100.0
95.04968	22.8
95.08595	49.3
97.02885	41.4
97.06533	14.0
97.10184	5.5
98.21626	6.4
99.04460	5.8
101.02360	6.3
103.03928	10.7
103.91930	3.2
105.07028	92.0
107.04955	10.6
107.08595	45.1
109.02904	8.1
109.06504	10.1
109.10159	19.3
111.04472	9.2
115.03925	4.5
115.05446	5.6
116.06207	3.6
117.07002	36.4
119.04967	6.0
119.08580	59.2
121.06501	12.8
121.10136	35.8
123.08063	7.3
123.11731	8.2
124.35163	3.7
125.05969	4.5
125.09668	5.3
127.03935	9.7
128.06219	6.7
129.05458	11.3
129.07001	34.5
130.07811	5.3
131.04958	5.2
131.08560	54.0
133.06520	5.6
133.10126	43.4
135.04570	3.5
135.08061	10.2
135.11685	28.5
137.05988	4.6
141.06993	9.9
142.07750	5.8
143.08540	38.4
145.04956	5.0
145.06477	6.6
145.10132	53.0
147.04333	5.1
147.08043	7.2
147.11661	39.6
149.09598	7.6
149.13245	15.2
155.07326	3.8
155.08574	14.3
157.10120	27.7
159.08086	6.6
159.11671	39.5
161.09637	11.2
161.13274	19.4
163.11171	11.7
167.08568	6.2
169.08783	4.1
169.10062	19.4
171.08057	7.3
171.11697	27.6
173.09630	9.9
173.13229	24.6
175.11183	5.0
175.14853	11.6
177.12796	4.2
179.08446	4.4
181.10132	8.2
183.11673	10.8
185.09619	4.4
185.13237	18.3
187.07471	4.2
187.11179	6.7
187.14839	8.8
189.12691	4.9
191.10678	5.4
193.10147	3.8
195.11627	9.9
197.09682	4.6
197.13319	11.5
199.11201	10.0
199.14816	10.2
201.12672	5.2
209.13268	7.9
211.11159	8.8
211.14929	6.6
213.12825	7.6
213.16379	5.4
215.14285	4.1
221.13249	5.0
223.14787	4.8
225.12700	5.5
229.66081	3.8
241.19536	14.1
253.19556	4.3
257.19058	10.1
259.20651	25.1
267.15912	8.4
269.18954	6.3
271.20621	9.4
273.22241	6.3
277.21674	5.1
283.15454	3.7
283.20712	5.1
285.22040	5.7
289.21655	6.6
295.20490	3.9
299.20197	6.6
301.21576	11.5
313.21484	10.0
315.23071	5.9
321.21979	8.0
325.21509	12.4
331.22665	7.5
333.24210	44.5
339.23065	4.2
349.21631	4.9
361.23767	11.2
363.25418	6.6
367.22656	16.7
375.25391	9.9
385.23688	16.4
387.25229	6.3
399.25455	4.6
400.27493	4.5
400.45554	4.4
403.24701	11.1
405.26273	4.9
417.26563	11.2
421.09378	3.9
424.92258	4.5
429.26276	10.3
441.26416	35.6
459.27423	26.8
473.61292	4.0
477.28467	34.2
495.12967	34.2
495.24268	7.6
495.29297	47.8
496.12704	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	495.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.2
55.01854	9.3
55.05513	43.5
57.03436	27.2
57.07066	10.4
61.02926	30.1
65.03942	8.9
67.05506	100.0
69.03431	29.8
69.07062	25.8
69.23757	63.8
71.01342	8.9
71.04986	14.4
73.02923	24.6
73.77980	4.3
75.17064	4.7
79.05499	84.6
81.03407	30.6
81.07055	97.0
83.04966	18.7
83.08620	20.9
85.02897	39.7
85.06548	7.1
91.03951	14.4
91.04960	8.5
91.05482	90.7
93.07047	91.3
95.04954	19.4
95.08609	52.1
97.02892	21.2
97.06516	19.5
97.10165	7.6
98.21603	5.4
99.04478	8.4
103.03928	11.5
103.05425	6.2
105.07027	79.4
107.04961	14.9
107.08578	42.9
109.06507	12.2
109.10158	21.2
111.04431	9.6
111.08078	10.9
115.05496	7.9
117.07014	51.7
119.08582	62.7
121.06519	6.1
121.10161	33.9
123.08092	7.5
123.11708	9.3
124.57819	5.0
127.03938	6.9
127.12852	5.2
128.06238	10.4
129.05505	8.7
129.07011	32.9
130.11769	6.6
131.08574	63.8
133.06503	9.6
133.10129	42.9
135.08035	7.5
135.11693	24.1
141.06926	12.0
143.08553	34.2
145.05035	6.4
145.06490	16.6
145.10114	54.0
147.08080	12.9
147.11661	28.0
149.09581	15.2
149.13240	19.5
152.59851	4.9
155.08514	24.2
157.06465	5.1
157.10135	30.3
159.08058	15.5
159.11665	33.1
161.09593	13.0
161.13231	11.6
163.11150	12.0
165.06963	6.5
167.08597	8.7
168.86847	4.7
169.10126	19.9
171.08029	6.7
171.11664	29.4
173.09618	16.8
173.13231	24.6
175.11227	7.4
175.14919	5.9
177.12793	6.6
181.10103	8.6
183.07979	6.5
183.11678	19.6
185.09532	7.8
185.13278	15.8
187.11150	11.2
187.14836	6.8
189.12724	7.4
195.11751	6.1
195.13857	7.0
197.09579	7.6
197.13304	14.8
199.11201	9.7
199.14867	6.7
203.14288	5.4
209.13277	9.5
213.16322	7.4
241.19487	8.0
257.19052	6.9
259.20523	11.0
271.20505	10.4
297.21988	7.8
301.21576	16.9
307.20596	6.6
313.21606	8.9
315.23215	5.6
325.21552	12.1
333.24109	20.8
339.23352	7.4
343.22754	7.0
349.21750	9.1
361.23862	10.0
363.25299	6.2
367.22659	20.8
375.25369	11.5
385.23679	22.1
403.24615	12.0
417.26486	8.4
429.26352	19.3
441.26379	39.0
459.27713	33.8
477.28616	37.1
495.29544	98.1
496.30142	10.1
501.81598	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35231	0.6
53.03931	0.8
55.05503	1.1
57.03420	0.5
58.99566	0.8
59.53344	0.6
62.06074	1.5
65.74243	0.5
67.05489	1.9
69.03423	0.9
69.07075	0.8
70.06585	1.9
71.04988	0.8
71.58452	0.7
72.08150	0.8
79.05473	2.3
79.22505	0.6
79.88032	0.6
81.03409	0.9
81.07061	3.0
83.04960	0.7
84.04485	0.7
84.08159	1.2
85.02899	1.3
86.09689	1.7
86.99065	0.7
87.02689	10.7
91.05483	1.9
93.07049	2.7
95.04967	1.3
95.08576	0.9
97.02881	0.8
98.31778	0.5
98.97650	0.5
105.07027	1.2
105.14438	0.5
107.04939	1.1
107.08575	1.4
109.06533	1.8
109.10143	0.9
111.04425	0.7
115.05415	0.7
116.01688	2.4
116.65729	0.6
117.05773	0.8
118.06568	0.7
119.08582	1.3
120.08097	0.7
121.06480	0.9
121.10137	1.6
122.10364	0.6
132.08107	1.3
132.79433	0.5
135.08057	0.9
136.06212	0.9
137.05972	1.2
142.06549	0.7
143.08490	0.7
144.01091	0.6
147.04448	1.0
148.07613	0.8
153.01845	1.2
153.05521	0.7
158.06044	0.7
160.07556	5.4
161.06064	0.8
161.08359	3.3
161.09557	0.6
162.09166	1.4
167.06996	1.0
168.08055	0.6
172.07593	1.1
173.08098	0.6
174.09129	1.3
177.05452	1.5
184.07431	0.8
185.08365	1.8
186.09117	1.3
188.73636	0.6
190.08614	0.6
199.10077	0.8
200.14369	2.1
204.06548	4.9
205.07379	2.5
206.08127	1.6
214.08723	1.3
214.12234	7.6
216.06615	1.2
216.10614	1.0
216.13844	18.2
218.08133	1.2
219.13826	1.0
226.56020	0.5
229.07236	1.0
230.08177	1.8
232.11620	0.7
242.11757	1.4
244.09692	1.4
244.13359	7.2
244.17041	0.7
248.11046	7.5
249.11249	0.6
258.07706	0.6
258.11243	3.7
260.12823	16.7
260.15488	1.1
262.32690	0.7
270.14862	0.8
273.03928	0.7
274.14508	1.1
276.10526	12.6
276.13626	0.8
278.12088	0.9
286.14389	1.5
287.05057	0.8
287.91815	0.6
290.06879	0.5
292.10001	33.0
301.03445	1.1
302.03949	0.7
303.04102	1.4
306.11755	1.3
314.27188	0.6
315.04968	1.0
315.27286	0.8
316.05698	4.2
316.15524	1.1
317.05902	4.4
318.03311	0.7
318.06546	5.7
318.11609	2.1
320.13147	1.1
331.08087	6.1
332.08417	5.6
333.08878	13.2
348.12653	1.7
351.06506	0.8
359.14178	1.1
366.13773	1.2
368.42764	0.7
375.01804	0.6
375.13812	2.7
377.15170	0.8
403.13153	1.1
405.14667	5.7
405.23367	0.7
421.14252	28.3
422.14740	1.2
435.15952	2.2
447.15845	1.3
449.17285	1.1
477.16821	2.5
495.17975	100.0
496.18173	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	495.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35231	0.6
53.03931	0.8
55.05503	1.1
57.03420	0.5
58.99566	0.8
59.53344	0.6
62.06074	1.5
65.74243	0.5
67.05489	1.9
69.03423	0.9
69.07075	0.8
70.06585	1.9
71.04988	0.8
71.58452	0.7
72.08150	0.8
79.05473	2.3
79.22505	0.6
79.88032	0.6
81.03409	0.9
81.07061	3.0
83.04960	0.7
84.04485	0.7
84.08159	1.2
85.02899	1.3
86.09689	1.7
86.99065	0.7
87.02689	10.7
91.05483	1.9
93.07049	2.7
95.04967	1.3
95.08576	0.9
97.02881	0.8
98.31778	0.5
98.97650	0.5
105.07027	1.2
105.14438	0.5
107.04939	1.1
107.08575	1.4
109.06533	1.8
109.10143	0.9
111.04425	0.7
115.05415	0.7
116.01688	2.4
116.65729	0.6
117.05773	0.8
118.06568	0.7
119.08582	1.3
120.08097	0.7
121.06480	0.9
121.10137	1.6
122.10364	0.6
132.08107	1.3
132.79433	0.5
135.08057	0.9
136.06212	0.9
137.05972	1.2
142.06549	0.7
143.08490	0.7
144.01091	0.6
147.04448	1.0
148.07613	0.8
153.01845	1.2
153.05521	0.7
158.06044	0.7
160.07556	5.4
161.06064	0.8
161.08359	3.3
161.09557	0.6
162.09166	1.4
167.06996	1.0
168.08055	0.6
172.07593	1.1
173.08098	0.6
174.09129	1.3
177.05452	1.5
184.07431	0.8
185.08365	1.8
186.09117	1.3
188.73636	0.6
190.08614	0.6
199.10077	0.8
200.14369	2.1
204.06548	4.9
205.07379	2.5
206.08127	1.6
214.08723	1.3
214.12234	7.6
216.06615	1.2
216.10614	1.0
216.13844	18.2
218.08133	1.2
219.13826	1.0
226.56020	0.5
229.07236	1.0
230.08177	1.8
232.11620	0.7
242.11757	1.4
244.09692	1.4
244.13359	7.2
244.17041	0.7
248.11046	7.5
249.11249	0.6
258.07706	0.6
258.11243	3.7
260.12823	16.7
260.15488	1.1
262.32690	0.7
270.14862	0.8
273.03928	0.7
274.14508	1.1
276.10526	12.6
276.13626	0.8
278.12088	0.9
286.14389	1.5
287.05057	0.8
287.91815	0.6
290.06879	0.5
292.10001	33.0
301.03445	1.1
302.03949	0.7
303.04102	1.4
306.11755	1.3
314.27188	0.6
315.04968	1.0
315.27286	0.8
316.05698	4.2
316.15524	1.1
317.05902	4.4
318.03311	0.7
318.06546	5.7
318.11609	2.1
320.13147	1.1
331.08087	6.1
332.08417	5.6
333.08878	13.2
348.12653	1.7
351.06506	0.8
359.14178	1.1
366.13773	1.2
368.42764	0.7
375.01804	0.6
375.13812	2.7
377.15170	0.8
403.13153	1.1
405.14667	5.7
405.23367	0.7
421.14252	28.3
422.14740	1.2
435.15952	2.2
447.15845	1.3
449.17285	1.1
477.16821	2.5
495.17975	100.0
496.18173	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	495.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	2.1
53.03927	3.9
55.01862	3.8
55.05503	4.3
57.03418	2.6
60.04500	2.0
60.88114	1.3
65.03932	2.7
67.05488	6.9
69.03422	3.6
69.07064	2.7
70.06583	4.3
71.04982	2.0
71.58431	1.9
78.04705	1.6
79.05491	10.8
81.03401	3.8
81.07049	7.8
83.04983	2.6
83.08603	2.1
84.04530	2.4
84.08128	2.7
85.02888	6.2
85.35285	1.3
86.09669	2.2
89.03884	3.1
91.05476	21.8
93.07059	9.8
95.04964	9.7
95.08604	5.1
97.02895	2.1
97.06509	2.2
98.65409	1.4
102.04684	2.2
103.05476	12.8
105.03370	1.7
105.04473	1.7
105.07032	11.8
106.04181	2.8
107.04953	20.1
107.08594	3.4
109.06512	5.0
109.10144	2.3
111.04423	2.4
115.05441	5.3
117.03388	4.6
117.07012	3.2
118.04168	3.4
119.04939	4.8
119.08559	3.9
120.08070	2.3
121.06501	7.7
121.10148	6.2
123.04448	3.2
123.83292	1.6
125.05943	1.4
129.07016	3.6
130.04134	2.3
131.04927	15.1
131.08568	3.2
132.05731	10.0
133.02853	2.9
133.06531	8.3
133.10101	3.1
134.03601	4.5
135.04431	8.6
135.07999	2.2
136.06136	1.7
137.05952	6.6
139.97664	1.6
141.06972	11.5
145.02852	2.6
145.06447	2.2
145.10141	1.9
146.03685	2.0
147.04405	11.3
147.08009	2.2
147.11661	1.6
148.05226	3.3
149.05969	10.3
149.09663	2.6
151.03835	2.1
151.07559	3.2
152.06160	4.6
153.01782	3.8
153.05461	4.9
153.07013	5.7
155.04999	2.3
159.04413	5.0
159.11717	1.6
160.05174	5.9
161.05971	25.8
162.03123	16.2
163.03880	11.8
163.07483	2.4
164.04672	1.5
165.05460	7.4
165.06792	2.3
165.09123	1.7
166.06288	1.7
167.07051	33.0
167.08447	3.2
168.05687	6.1
169.06459	15.7
170.07196	2.9
171.04413	6.3
171.08112	1.4
175.07690	1.7
175.11215	1.7
176.04601	3.6
177.05470	35.1
178.06161	3.0
178.07698	1.9
179.03455	2.1
179.04904	1.9
179.07072	10.1
180.07800	6.5
181.06493	9.2
181.08627	2.6
183.04373	2.4
184.07349	1.9
187.07536	1.6
189.07010	1.6
191.07047	15.3
191.08617	2.4
191.14363	1.7
192.07790	16.4
193.04944	4.0
193.08597	20.4
195.04358	1.8
196.05199	6.6
197.06012	26.2
197.07745	3.0
198.06656	2.0
201.05496	4.2
205.06636	2.7
207.04622	3.0
207.06520	9.4
209.05946	11.3
209.08078	5.1
210.06836	1.7
210.08781	2.8
211.07491	10.8
213.05457	5.3
214.06204	5.0
219.08229	1.7
219.13713	2.4
221.05940	1.7
224.04651	4.8
225.05453	20.3
226.06230	11.9
227.06961	4.8
229.04918	2.2
229.08557	3.9
233.06030	1.6
234.06712	1.9
235.07564	2.7
236.04745	1.8
237.05367	10.6
238.06157	2.0
239.06911	8.8
241.08611	6.6
242.05746	13.3
247.07547	2.8
248.08339	1.6
251.07021	4.4
252.04050	2.8
253.04958	50.4
254.05630	5.4
255.06519	4.9
257.04419	12.8
257.08099	20.2
258.05029	2.6
263.07040	2.5
265.08575	3.5
267.06589	8.0
269.04813	1.8
269.08051	11.8
270.05197	11.4
270.08505	2.5
271.05780	1.9
277.08655	3.7
279.06534	3.0
281.07901	3.1
283.05966	2.7
285.07550	100.0
286.04709	4.2
286.08066	4.1
287.05554	2.8
287.09244	4.4
293.17529	2.3
295.09537	3.7
297.07507	2.9
299.09225	2.8
305.07825	2.1
307.09644	2.5
308.06964	1.9
311.09143	14.5
315.04990	2.6
323.09155	7.7
325.10815	6.9
327.04855	2.1
329.06485	6.7
331.07974	1.8
333.08746	2.3
337.10596	10.1
341.06610	3.4
341.10284	3.2
355.11887	3.0
365.63785	1.7
385.23651	1.7
445.12775	5.3
451.13498	2.1
451.18878	1.9
465.15268	6.3
477.16165	8.8
495.11862	13.9
495.18878	3.0
495.28275	2.1
496.12183	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1283
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
53.03928	2.5
55.05510	6.0
56.22642	0.9
57.03430	5.0
59.95726	0.9
60.04517	1.4
61.02911	1.0
67.01853	1.6
67.05496	9.5
69.03403	2.2
69.07063	4.8
70.06568	1.6
71.04971	3.2
71.57648	1.0
71.58114	1.5
72.97344	0.7
79.05074	1.2
79.05492	18.2
81.03394	3.2
81.07059	10.9
83.04950	2.7
83.08591	3.2
84.04479	0.9
84.08099	1.4
85.02892	2.9
85.06528	1.3
86.09654	1.1
89.03872	1.0
91.05480	11.8
93.07034	16.0
95.04981	10.3
95.08592	6.6
97.02871	1.2
97.06514	2.4
97.10139	3.2
100.11298	1.0
103.05471	4.4
105.07013	7.3
107.04293	1.4
107.04951	13.9
107.08587	6.9
109.02839	1.5
109.06517	19.5
109.10120	2.6
111.04405	2.2
111.08027	1.4
115.05440	1.8
117.06980	2.5
119.04919	1.6
119.08556	3.5
121.06490	11.2
121.10130	7.1
123.04424	3.5
123.08022	3.1
125.09592	2.6
127.03838	1.3
128.06201	1.3
129.07008	1.9
131.04918	7.2
131.08559	7.3
132.05722	5.7
133.02818	1.4
133.06459	2.7
133.10106	2.9
135.04375	1.8
135.08076	6.4
135.11644	1.8
136.06155	1.8
137.02313	1.7
137.05998	1.2
139.11151	3.9
141.06929	3.7
143.08499	1.6
145.06450	1.6
145.10091	3.0
146.03578	1.3
147.04362	3.0
147.08011	2.1
147.11626	1.6
148.05133	1.5
149.05981	2.3
149.09592	3.2
153.01833	23.4
153.05524	2.2
153.06845	1.0
154.02295	1.0
155.08568	1.5
157.10110	1.5
159.04364	1.1
159.08003	0.9
159.11552	1.5
160.05167	1.7
161.05948	2.1
162.03082	2.1
163.03827	1.6
163.07545	2.3
163.11143	2.2
165.06961	1.5
165.09163	1.0
167.07068	13.2
167.08475	1.9
167.10632	1.7
169.06458	3.3
171.04292	0.9
173.09598	1.3
173.13228	3.1
176.04637	1.4
177.05489	9.0
179.06982	2.8
180.07852	0.9
181.06450	2.1
185.11703	2.0
189.05553	1.3
189.11211	2.1
191.07066	5.4
191.14232	5.3
192.07843	6.9
196.05272	1.2
197.05965	5.2
198.06763	0.9
199.07648	1.0
201.05392	1.6
201.12733	1.4
207.06456	3.3
209.06018	2.3
211.07428	1.5
213.05525	1.4
219.13805	15.6
220.09593	2.5
223.13269	1.3
225.05458	3.4
226.06223	2.4
227.12653	1.4
229.04814	0.9
233.15298	1.5
235.07475	1.9
236.08247	1.5
237.05421	5.3
239.07043	1.4
241.04794	1.6
241.08536	1.8
242.05710	2.4
243.06204	1.0
251.07034	1.7
253.04941	5.9
255.06450	1.5
257.04468	1.6
257.08044	5.0
258.05200	3.5
259.15405	9.2
260.12735	0.9
263.06949	1.3
265.04935	3.3
267.06396	1.9
269.04358	2.0
269.08154	3.4
270.05090	1.6
271.05984	2.2
272.06808	1.8
275.06891	1.0
279.06454	1.4
283.06039	1.2
285.07446	9.2
286.04663	2.9
293.17422	6.5
295.06104	1.5
297.03909	1.9
297.07138	1.1
299.05511	2.2
300.06183	1.1
301.03387	1.9
305.08185	1.7
311.05496	15.2
315.04932	1.8
323.05463	3.6
323.09103	1.8
325.07141	1.4
329.06458	9.2
335.09097	5.0
337.10818	7.7
345.07516	1.7
347.09012	2.3
348.16238	3.3
349.21429	1.3
358.08127	1.7
359.09106	18.0
360.09741	2.2
361.07031	3.7
363.08582	23.9
367.22565	3.1
370.08334	1.0
371.09052	3.7
373.06924	3.8
374.07758	1.6
375.08395	2.9
385.23663	3.6
387.08621	11.3
388.09430	8.3
391.08289	11.7
401.06482	2.3
402.07251	2.5
403.08105	2.7
403.24591	3.3
407.07443	1.5
410.23013	1.0
414.07092	1.0
415.07993	3.8
416.08987	5.3
417.09851	2.2
419.07532	8.8
431.07697	5.8
432.08328	3.2
433.09338	5.5
435.07059	1.9
444.08365	3.8
445.09015	3.2
447.07104	34.7
449.08533	2.7
450.09283	2.6
451.18823	3.7
453.18808	1.1
459.14505	1.2
459.27234	2.6
461.08594	7.3
462.09473	12.0
465.11783	37.4
477.11664	100.0
477.28149	3.7
478.12000	4.3
495.12653	69.7
496.13016	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05512	3.2
57.03423	1.8
59.05011	0.7
61.02918	1.7
65.03943	1.4
67.05503	7.4
68.99792	0.8
69.03416	1.9
69.07059	1.7
71.05010	0.7
71.42321	0.6
71.58556	1.0
73.02924	1.2
79.05497	6.1
81.03423	2.9
81.07053	6.0
83.04980	2.4
83.08622	1.7
85.02908	2.7
91.03938	1.1
91.05460	8.1
91.05944	0.8
93.07049	7.0
95.04968	2.9
95.08615	3.4
97.02884	2.3
97.06543	1.0
97.10175	1.0
98.21445	0.6
99.04509	0.8
102.04683	3.1
103.05479	1.2
105.03373	0.7
105.07030	5.7
107.04925	2.9
107.08602	3.2
109.02896	1.6
109.06509	1.3
109.10143	1.8
111.04443	1.6
111.08074	1.1
115.05472	0.9
117.07008	2.3
118.04151	0.9
119.04941	4.1
119.08566	3.2
121.06525	0.8
121.10156	2.5
123.04459	1.0
123.11665	0.7
124.05209	6.3
125.09635	0.6
129.06978	1.5
130.04147	5.0
131.04988	3.6
131.08569	3.2
133.02878	2.5
133.06552	0.8
133.10138	2.7
135.04431	4.9
135.11690	1.5
136.05188	0.9
137.05968	8.9
138.06778	0.9
143.08577	1.4
145.06487	0.9
145.10104	3.3
145.20810	0.7
146.03633	1.8
147.04414	11.0
147.08127	1.2
147.11713	2.8
148.05196	1.8
149.05989	1.2
149.13232	1.5
150.06754	8.6
152.08318	1.1
153.01814	3.5
157.10124	0.9
159.11728	1.2
161.05949	3.7
162.06761	14.4
165.05489	0.6
173.05785	0.7
173.13245	0.6
175.11252	0.9
180.07814	1.0
181.05003	0.9
181.10110	1.1
185.09763	0.7
185.13216	1.1
187.03964	0.7
187.84486	0.6
201.05481	0.9
213.05400	1.0
216.04260	2.3
217.04974	0.7
218.67781	0.6
227.12733	0.8
228.04094	1.2
229.05055	2.2
230.05618	0.7
231.06502	1.1
241.04990	1.7
243.06622	0.7
244.03667	3.3
245.04607	0.9
246.02917	0.6
255.02754	0.6
256.03555	0.7
257.04440	4.9
258.05191	1.0
259.05988	3.7
267.16125	0.7
269.04459	2.4
271.02826	0.7
271.05872	1.5
273.03976	1.4
285.03983	2.7
286.04745	2.4
287.05511	13.7
301.03561	4.1
301.06638	0.8
302.04227	3.0
313.03412	9.6
315.05069	3.2
316.05841	1.5
317.06732	1.6
327.05099	3.0
333.20724	0.7
343.04620	1.6
349.21741	0.8
353.06586	0.7
367.22778	0.8
371.07666	1.0
385.24274	0.7
397.77332	0.6
402.07687	1.0
421.09109	2.0
423.25919	0.7
433.09250	1.8
441.26190	1.2
445.09344	1.3
447.07269	1.5
449.08493	1.0
459.27417	1.3
461.08609	0.9
462.09579	2.3
465.11826	3.8
477.11453	4.0
477.27985	2.1
478.12119	0.8
495.12903	100.0
495.24966	31.3
496.13181	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1283
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
65.03934	0.7
65.14716	0.5
67.05490	1.9
68.99776	0.8
69.07066	0.5
69.36949	1.7
69.37370	2.7
71.30840	0.4
72.81345	0.4
79.05482	2.1
81.03412	0.7
81.07047	2.4
83.04945	0.7
89.03921	0.8
91.05469	5.4
93.07049	1.5
95.04970	1.3
95.08596	1.3
97.02884	0.5
97.06507	0.8
98.20754	1.0
102.04684	4.7
103.05437	1.1
105.03385	0.9
105.07032	2.4
107.04979	1.6
107.08582	0.9
109.02890	0.5
109.10186	0.6
110.03648	0.9
111.00777	0.7
111.04404	0.7
115.05444	0.6
117.07073	1.2
119.04922	4.4
119.08591	1.0
121.06507	1.0
121.10166	1.2
122.03651	0.6
124.05226	1.5
130.04149	8.8
131.04918	3.5
132.05646	0.7
133.06505	0.6
133.10120	0.6
135.04433	2.1
135.08102	0.5
136.05092	0.7
137.02359	0.7
137.05957	5.2
137.06773	0.5
143.79796	0.4
145.06432	0.8
145.10146	0.7
146.03624	1.7
147.04410	13.5
147.11656	1.2
148.05194	2.5
149.05975	0.9
150.06767	3.5
151.07536	1.2
153.01840	3.9
157.06421	0.6
157.10156	0.6
159.04353	0.8
161.05989	5.8
162.06757	19.6
165.01773	0.9
169.06488	0.6
185.06030	0.9
187.03929	2.3
189.05452	0.6
192.23941	0.5
195.03123	0.4
201.05415	0.7
213.05501	1.7
216.04179	1.7
217.04967	1.9
221.89879	0.5
227.03125	0.6
228.04219	1.4
229.04944	2.6
231.06499	1.4
237.05499	0.7
241.04956	2.9
242.05759	0.8
243.02863	1.1
243.06577	1.3
244.03687	3.6
245.04424	3.2
255.02939	0.6
257.04489	5.2
258.05209	1.4
259.05975	3.2
269.04446	2.1
271.06070	1.6
272.02972	0.8
273.03931	3.3
274.04770	0.7
281.04300	0.7
283.05997	1.2
284.03021	0.7
285.03943	3.3
286.04697	1.3
287.05490	18.0
297.04132	0.6
299.05545	1.6
301.03433	8.9
302.04233	3.4
313.03333	7.0
314.04169	0.8
315.04974	4.5
316.05820	3.3
317.06549	1.5
327.05045	4.1
336.37982	0.5
343.04471	4.6
353.06546	4.8
357.06384	1.1
371.07648	2.2
402.07394	0.8
414.06976	0.7
419.07520	0.6
429.06223	0.5
430.06567	1.1
445.09317	4.6
447.07172	1.3
461.08554	1.2
462.09680	1.2
465.12064	3.0
477.11813	8.7
477.28641	0.6
495.12845	100.0
495.25333	3.5
496.13272	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	495.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89758	0.2
53.03927	0.4
55.05484	0.9
57.03411	0.4
67.01846	0.3
67.05505	1.8
69.03394	0.4
69.07039	0.5
71.57750	0.5
75.11396	0.3
78.92941	0.3
79.05495	1.2
81.03404	0.6
81.07060	1.4
83.04948	0.4
85.02890	0.5
89.03854	0.4
91.05502	2.4
93.07037	2.2
95.04944	1.1
95.08562	0.8
97.02844	0.5
97.10220	0.3
98.79205	0.2
103.05437	0.6
105.07039	1.4
107.04929	0.8
107.08564	0.8
109.02872	0.4
109.06493	0.3
111.04414	0.8
111.08043	0.4
115.05455	0.3
117.03381	0.4
117.07020	0.4
118.47299	0.2
119.04912	0.4
119.08547	0.5
121.06483	0.7
121.10110	0.9
123.04427	0.3
125.09627	0.2
129.06989	0.4
131.04875	0.8
131.08575	0.7
132.05655	0.5
133.02824	0.4
133.10130	0.3
135.04398	0.9
135.11635	0.3
136.05215	0.4
137.02362	0.4
140.04630	0.9
146.03651	0.4
147.04401	0.4
148.05147	0.4
149.05988	0.5
149.13258	0.5
153.01817	3.4
153.05502	2.2
155.04932	0.3
159.11687	0.5
163.03893	0.3
165.05432	0.5
166.06233	0.9
167.07033	0.7
168.07820	2.4
176.04706	0.4
177.05441	0.5
178.06201	0.5
179.08629	0.3
180.07745	0.4
181.08508	0.3
191.00102	0.2
191.07014	0.7
192.07825	0.4
195.13846	0.6
196.07248	0.7
201.05405	0.3
203.01451	0.5
203.03386	10.3
213.05458	0.5
229.04955	8.4
241.04967	1.0
242.05753	3.3
253.04984	0.6
257.04449	96.8
258.05142	5.1
269.04550	0.7
270.05093	0.6
271.06018	1.0
285.03976	4.0
286.04718	7.7
287.05496	9.7
295.06079	0.4
297.03934	6.7
299.05405	0.7
300.06274	0.5
315.67691	0.3
327.04782	0.3
341.06674	0.4
359.09149	0.7
375.08701	0.4
387.08649	0.4
389.06647	0.3
403.08499	0.4
406.06601	0.4
407.07892	0.3
419.07562	0.9
421.09152	0.7
433.09369	0.9
445.09323	0.3
447.06955	0.7
449.08368	0.5
463.10184	0.6
465.12198	2.9
477.11703	2.0
477.28720	0.3
495.12863	100.0
496.13495	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1282
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
53.03929	0.4
53.85025	0.3
55.05493	0.9
57.03379	0.4
67.01877	0.4
67.05500	2.0
70.15967	1.9
79.05481	1.8
81.03416	0.8
81.07056	2.1
83.04960	0.8
91.05482	2.5
93.07020	2.2
95.04929	1.5
95.08586	0.9
97.02872	0.6
97.10155	0.5
102.04652	0.7
103.05473	3.6
105.06976	1.8
107.04921	0.9
107.08575	0.8
109.06479	0.5
111.04395	0.6
115.05380	0.4
117.06971	0.7
118.04165	2.0
119.04917	0.4
119.08539	0.9
121.06478	1.1
121.10098	0.9
123.04372	0.7
124.05185	0.4
130.04086	1.1
131.04932	4.4
131.08495	0.7
132.05705	2.8
133.02785	0.6
133.06461	0.7
133.10115	0.7
135.04396	1.0
140.04668	2.2
146.03580	2.8
147.04404	1.1
148.05185	0.5
149.05899	0.6
151.03871	0.4
153.01826	6.7
153.05376	0.5
155.07019	0.5
159.04330	0.6
160.05168	0.9
161.05887	1.1
162.03139	1.2
163.03880	1.0
165.05455	0.8
166.06229	0.8
167.07021	1.8
171.02885	0.5
173.05971	0.9
176.04732	1.9
177.05508	2.1
178.06273	3.0
180.07831	0.5
191.07056	3.7
192.07784	1.7
203.03386	6.3
211.73140	0.4
213.05453	1.1
215.89456	0.4
229.04955	7.8
241.04939	1.4
242.03381	0.8
242.05731	10.5
253.04927	2.1
257.04440	58.7
258.05222	18.6
259.06088	0.6
269.04535	2.3
270.05173	2.5
271.06003	1.8
283.06070	0.5
285.03940	8.4
286.04709	32.1
287.05481	19.3
293.14334	0.4
297.03949	4.4
299.05597	1.9
300.06259	1.2
327.04987	2.3
341.06564	2.3
345.07410	0.6
363.97433	0.4
375.08636	0.4
403.07831	0.4
416.08969	0.6
419.07538	1.1
445.09094	0.7
447.07135	1.6
461.08719	1.0
462.09329	0.9
465.11768	3.4
477.11798	18.4
477.28232	0.7
478.12222	0.4
495.12857	100.0
496.13174	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	494.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
56.05028	0.5
57.03437	0.3
58.06596	0.4
60.08163	7.2
60.68195	0.2
67.05488	1.1
69.07062	0.9
70.06598	0.5
70.10147	0.6
70.10535	0.5
71.07374	3.2
79.05494	1.0
81.07046	1.2
83.05045	0.2
83.08601	0.6
86.09703	30.6
88.07607	0.4
91.05447	0.6
93.07048	0.7
93.51227	0.2
95.08600	0.8
97.10182	0.2
98.98465	3.1
102.09219	0.2
104.10738	2.9
105.07021	0.4
107.08583	0.4
119.08543	0.3
121.10187	0.3
125.00002	22.4
143.01062	0.5
149.02304	1.1
184.07333	100.0
193.04932	1.2
237.07523	1.1
284.29388	0.7
311.25745	0.2
459.27252	0.4
476.31537	1.2
477.28470	0.3
494.34338	2.4
498.30740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.5
57.03434	0.5
57.05810	0.6
67.05492	1.4
69.07072	0.4
72.08154	47.2
76.18044	0.4
79.05475	1.0
81.07049	1.8
81.07475	0.3
91.05469	1.8
93.07043	1.8
94.93951	0.4
95.04960	0.5
95.08556	0.4
103.05453	3.6
105.07033	1.1
107.08604	0.6
117.07021	0.5
117.97746	0.4
120.08101	100.0
121.08445	1.0
141.18300	0.4
145.10191	0.5
171.14917	7.2
174.12733	2.9
199.14401	6.4
219.14920	15.9
222.12733	0.8
247.14430	19.1
267.14902	8.7
273.19583	1.0
295.14423	11.9
301.19043	3.1
321.19672	0.7
346.21240	3.8
349.19144	1.6
394.21143	3.3
448.25601	0.9
465.28848	0.6
475.30682	0.5
493.31705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	16.2
57.03406	15.3
58.21882	11.0
59.93358	11.3
69.87415	66.4
70.06581	60.4
72.08157	29.0
73.80217	16.4
77.34135	11.2
81.03417	15.4
84.08146	24.9
85.02897	48.7
86.09706	30.4
89.07140	22.9
91.05469	17.9
93.03384	14.8
98.20805	20.9
103.05458	14.1
107.39030	13.2
119.04997	15.2
120.08076	13.3
121.02902	21.7
123.04431	14.1
131.04958	15.3
135.04422	17.3
140.07007	14.0
146.06091	11.9
147.04404	23.2
150.58240	11.7
151.03874	17.2
153.44112	12.5
156.94585	10.5
161.05980	24.8
163.03973	13.2
169.07643	25.4
171.04361	13.7
172.03786	11.3
175.03897	33.5
177.05452	28.7
181.04944	24.4
187.03900	27.6
187.08656	18.5
189.05473	21.7
191.03323	11.5
193.04964	48.9
201.05495	21.4
205.04996	55.4
209.73398	14.5
211.06038	16.7
213.05414	21.5
217.05003	42.5
219.06580	18.8
221.04472	17.0
223.05869	57.3
225.05489	18.8
227.06966	16.9
229.04872	20.3
231.06488	16.0
235.06017	33.4
241.04942	18.1
243.06548	27.1
247.05980	77.5
253.08742	19.2
259.06042	100.0
267.06747	11.9
271.06000	43.7
277.07126	60.1
283.06027	19.1
285.07571	16.7
289.06985	94.0
301.07159	87.5
307.08255	17.1
313.06863	75.8
319.08292	31.8
325.06113	14.8
325.09201	66.3
337.09299	25.7
343.07925	60.2
355.07944	29.2
361.08875	26.4
367.08200	11.7
373.09171	39.8
379.10388	25.8
385.09265	16.3
391.10187	35.3
396.15204	13.6
403.10278	22.4
421.11197	20.3
488.38226	17.1
493.17108	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1342
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
54.07203	0.3
70.71062	0.4
70.71453	0.8
95.04969	0.3
135.04414	0.2
146.32761	0.3
151.03899	0.6
153.01791	0.7
156.39891	0.2
189.05333	0.3
217.04999	2.2
227.21774	0.3
228.04010	0.4
245.04457	6.2
249.11911	0.2
257.04456	0.3
271.06140	0.4
273.03934	8.1
274.04498	0.3
287.05533	0.8
288.06201	0.6
298.04651	0.3
299.05478	0.5
300.02499	0.3
301.03430	25.1
302.03799	0.7
315.04947	4.6
316.05777	41.5
317.06119	1.1
331.08112	100.0
332.08472	3.2
493.13165	0.9
498.23166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1342
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
52.00122	0.2
53.03935	0.3
55.01870	0.5
55.05507	0.4
57.03437	0.2
58.42796	0.2
61.02905	0.2
66.04388	0.2
67.05493	0.9
68.99795	0.3
69.03416	0.7
69.07071	0.4
77.06343	0.2
79.05482	0.9
81.03408	1.0
81.07045	1.0
83.08627	0.3
85.02896	1.5
91.05486	1.3
93.07046	1.1
95.04953	0.9
95.08582	0.4
97.02898	0.5
97.06503	0.2
97.10166	0.2
97.17852	0.2
98.20894	1.2
105.03372	0.8
105.07027	0.6
107.04939	0.6
107.08610	0.6
109.02843	0.4
111.04425	0.3
114.09152	0.4
117.07059	0.4
119.08573	0.6
121.06490	0.2
121.10139	0.7
122.03616	0.6
125.09643	0.3
131.04944	0.4
131.08530	0.6
133.02853	4.1
133.06467	0.2
133.10097	0.4
137.05984	2.2
145.10220	0.3
147.04454	0.3
147.08046	0.3
147.11609	0.3
149.09682	0.3
150.03131	1.5
151.03911	0.2
153.01880	0.3
159.08101	0.2
161.06010	0.2
161.09531	0.2
163.11168	0.4
165.05498	3.7
167.03401	20.2
173.09599	0.2
184.03653	0.2
191.06967	0.4
193.04970	1.1
193.12239	0.5
207.06618	0.3
218.05855	0.2
219.06558	0.7
243.06714	0.3
246.05219	1.8
259.05963	0.3
288.06311	2.7
299.05478	0.4
301.03659	0.3
311.05734	0.3
316.05777	22.9
317.06174	0.5
331.08112	100.0
332.08481	2.1
341.06512	0.9
383.22284	0.5
401.23160	0.5
475.26627	0.3
493.13214	3.2
493.28210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.01886	0.3
69.03429	0.4
70.06593	2.4
72.08146	0.6
79.05487	0.5
82.54482	0.3
84.08121	0.7
85.02898	0.5
86.09708	0.7
91.05471	0.4
93.07043	0.6
98.21123	1.6
119.04940	0.4
120.08097	0.5
121.10198	0.3
137.02353	0.9
146.86394	0.3
147.04405	1.0
149.09682	0.3
153.01869	0.5
158.07263	0.9
168.05759	0.7
175.03946	0.3
181.04944	0.3
184.95654	0.3
185.06026	0.3
186.06750	3.0
196.05202	1.1
197.05983	0.5
203.03377	1.3
213.05466	1.6
214.06239	2.4
224.04666	0.8
225.05466	0.8
241.04959	0.7
242.05713	3.2
252.04103	0.5
253.04988	1.0
269.04449	0.5
270.05231	25.3
271.05612	0.4
271.10709	0.3
273.03998	0.5
281.04440	0.8
285.03873	1.2
285.12009	0.4
286.04657	0.7
287.05444	3.1
288.05896	0.3
297.03928	4.3
298.04739	10.8
299.05508	3.1
301.03455	0.8
302.04227	2.0
313.03336	1.4
313.11758	0.3
315.04977	9.7
315.08679	0.5
316.05740	9.6
317.15686	0.9
331.08115	100.0
332.08438	2.7
493.13449	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
53.03952	0.8
55.01875	0.5
55.05478	0.4
57.03421	0.5
64.37987	0.3
69.03439	2.3
69.07034	0.3
70.06576	1.6
71.04987	0.5
71.57228	0.3
71.57638	0.7
72.08150	0.7
73.02906	0.4
79.59750	0.4
81.03407	1.2
81.07048	0.7
82.23405	0.4
83.04956	0.5
84.04532	0.4
84.08130	1.2
85.02905	3.8
86.09697	1.0
91.05467	0.8
93.07050	0.9
95.04975	0.6
97.02882	1.5
99.04440	0.4
103.03899	0.4
103.05460	0.5
105.07011	0.5
109.02869	0.8
110.06058	0.3
111.04400	0.5
113.06036	0.5
119.04903	0.4
127.03909	1.0
130.83124	0.3
131.04904	0.4
136.07573	0.4
137.02339	12.6
137.05931	1.1
138.05499	1.7
139.03912	0.4
145.02884	0.6
147.04417	0.8
151.03952	0.6
152.04649	0.8
156.06566	3.6
161.05975	0.4
165.01834	0.8
167.03418	0.9
167.07112	0.7
172.05341	0.3
176.07120	0.4
177.05446	1.3
179.03387	0.5
180.04134	1.0
187.07600	0.4
193.05005	1.0
195.04379	0.6
200.04742	0.7
203.03551	0.7
209.00810	0.3
213.05644	0.4
214.06291	0.4
219.06511	0.3
224.03101	0.5
228.04233	2.0
231.02887	0.6
239.03410	5.1
242.05760	0.7
243.06468	2.6
245.04448	3.7
256.03613	0.7
257.04489	0.5
267.02917	0.4
270.05215	3.9
271.06018	4.2
273.03922	6.0
283.02292	0.6
284.03162	4.0
285.03903	0.6
287.05518	5.1
288.06268	3.6
297.04019	0.6
298.04813	2.1
299.05505	20.1
300.05951	0.6
301.03522	1.6
315.04999	2.1
316.05774	21.9
317.06183	0.8
319.84689	0.3
331.08112	100.0
332.08392	2.1
407.79874	0.4
491.58112	0.4
493.13065	1.0
493.18869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
53.03947	1.1
69.03429	2.1
81.03445	1.2
82.96293	0.9
85.02905	3.7
86.09713	4.2
97.02875	1.8
102.60172	1.1
109.06701	1.2
120.08062	1.8
124.03975	2.4
127.03940	1.6
137.06015	2.0
145.04984	1.1
212.17760	1.2
216.46896	1.1
217.04967	4.1
219.05345	1.3
245.04439	8.9
266.09384	1.1
273.03976	8.0
283.88760	1.1
292.41345	1.1
293.49573	1.3
294.24225	1.4
301.03445	28.2
315.04788	2.9
316.05777	39.5
317.05673	1.5
330.07077	1.9
331.08109	100.0
332.08215	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
56.05016	0.5
57.03416	0.5
59.08820	0.3
60.04528	0.4
61.02926	0.7
67.05479	0.5
69.03421	2.0
69.51709	0.4
69.91578	0.7
69.91988	1.5
70.06603	2.7
71.04975	0.4
72.08147	0.9
79.05442	0.4
79.08181	0.4
81.03415	1.0
82.08698	0.4
83.04931	0.4
84.04470	0.5
84.08136	1.1
85.02911	3.1
86.09698	1.7
91.05476	1.0
93.06985	0.4
97.02882	1.1
115.08689	0.5
116.54991	0.4
119.04965	0.5
120.08118	0.6
121.10161	0.6
123.04398	0.5
127.03935	0.4
129.10255	0.8
133.06490	0.5
136.07558	0.5
137.02333	10.5
137.05991	1.0
138.05504	0.8
139.03914	0.7
147.04442	1.4
149.05968	0.5
149.09558	0.4
152.04707	0.8
156.06554	1.7
161.05998	0.7
165.01872	0.7
165.05527	0.7
166.05916	0.4
167.03424	0.4
167.06976	0.4
175.03955	0.5
177.05438	1.4
180.04189	1.2
181.04942	0.5
193.04906	0.8
200.04715	0.7
203.03473	0.8
205.04965	0.5
209.00804	0.4
228.04204	1.3
231.02832	1.1
239.03413	4.5
240.04300	0.4
242.05745	1.0
243.06546	3.2
244.09686	0.5
245.04440	3.5
255.02960	0.7
267.02979	0.9
268.03439	0.4
270.05237	3.9
271.05948	2.6
273.03915	4.8
283.02341	0.7
284.03134	3.0
285.03961	0.7
287.05411	3.5
288.06271	3.5
297.03961	0.9
298.04721	1.9
299.05487	18.4
301.03479	1.1
315.05032	2.0
316.05774	22.2
317.06198	0.6
331.08112	100.0
332.08438	2.1
493.13046	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1342
Annotation	Dillenetin 7-glucoside
Peak:m/z	Relative Intensity
51.96779	0.9
53.03965	1.2
55.05513	1.2
56.05022	1.0
59.33213	1.0
61.02914	1.4
67.05521	2.5
69.03419	1.9
69.07053	1.6
69.85108	5.1
70.06564	2.6
71.04982	2.3
72.08107	1.4
79.05484	2.7
81.03441	2.1
81.07041	3.1
85.02902	6.6
86.09705	2.5
91.05476	3.0
93.07035	2.5
94.06544	2.3
95.08610	1.7
97.02874	1.2
105.07017	1.4
113.54263	1.0
119.08559	1.3
121.10088	1.4
127.03899	1.1
129.06967	0.9
133.10152	1.5
134.20558	0.9
137.02344	2.5
137.05980	4.2
145.02826	1.3
147.11626	1.6
176.97096	1.0
177.05441	2.1
193.06905	1.2
197.91435	1.1
209.15335	1.2
217.04846	1.8
241.19519	1.2
245.04497	3.5
273.03870	7.0
276.23120	2.6
277.23682	2.2
283.33157	1.1
287.05380	3.4
288.06155	1.7
294.24338	3.2
295.24542	4.0
301.03415	4.4
303.04892	1.2
311.05502	2.2
312.05850	3.1
312.25543	1.3
313.25662	2.2
315.04996	11.3
316.05765	52.1
317.06277	1.4
330.06888	4.2
330.26459	1.2
331.08109	100.0
332.08597	1.8
345.55609	1.1
346.09125	3.0
347.09317	3.0
436.41174	1.1
475.30682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1339
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.05486	0.5
67.05471	0.6
69.03397	0.2
69.61700	0.5
69.62126	0.9
70.06555	0.2
79.05471	0.7
81.03417	0.9
81.07024	0.6
83.04978	0.4
84.08102	0.2
85.02854	0.6
86.34794	0.2
91.05447	0.8
93.07000	0.6
95.01328	0.3
95.04929	0.7
95.08603	0.4
97.02789	0.2
103.81070	0.2
105.06995	0.2
107.08578	0.4
109.02840	0.4
109.10098	0.2
110.03624	0.6
111.04408	0.5
112.39850	0.2
117.06960	0.2
119.08559	0.6
121.02853	0.4
121.06461	0.2
121.10073	0.3
122.03635	0.2
123.04452	0.2
128.72250	0.2
133.10072	0.2
137.02304	2.0
147.11617	0.3
149.09532	0.2
150.03055	0.2
151.03893	0.3
163.11220	0.3
167.03447	1.1
175.11145	0.2
184.07343	0.2
193.29659	0.2
199.03868	0.3
207.02837	0.4
213.05556	0.2
214.06247	0.5
215.06737	0.2
217.05045	0.2
227.03355	0.2
229.04927	0.2
231.02899	0.2
231.06450	0.4
241.04851	0.3
242.05727	2.1
243.06517	0.8
245.04463	1.3
249.41849	0.2
257.04398	0.5
258.05255	0.2
259.05975	1.0
270.05197	0.6
271.05994	1.7
273.03922	6.9
279.16388	0.2
286.04642	0.6
287.05493	5.3
288.06299	3.8
299.05444	0.7
315.02063	0.2
315.04971	10.5
316.05765	52.3
317.06076	1.0
331.08102	100.0
332.08499	1.7
365.16113	0.2
401.23370	0.2
416.06790	0.2
489.40845	0.2
493.13400	3.5
493.27829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1335
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
55.01825	0.3
55.05479	0.4
61.02874	0.3
64.14510	0.3
70.06531	0.6
81.06973	0.3
84.08079	0.3
85.02864	0.5
94.06509	0.3
96.87757	0.3
100.11189	0.7
110.03619	0.6
123.00780	0.4
125.10473	0.3
133.10104	0.3
136.07483	0.3
137.02316	3.7
139.12291	0.5
141.43378	0.3
153.01738	0.4
154.02505	0.4
154.08560	0.4
165.84444	0.3
167.03397	0.3
169.01239	0.3
178.05902	0.3
199.03757	0.4
217.04877	0.3
227.03345	0.5
243.06383	0.3
245.04379	0.8
255.02968	0.4
273.03918	9.8
283.02332	0.6
284.03073	0.5
287.05334	0.3
288.06232	1.9
299.05521	0.6
300.02570	0.8
301.03406	26.9
302.03879	0.6
315.04919	4.9
316.05753	44.3
317.06064	1.1
331.08096	100.0
332.08398	2.0
492.29526	0.5
493.13266	2.9
493.29813	3.2
493.35623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
53.74025	2.7
55.01875	4.5
55.05505	13.8
56.05028	9.8
57.03432	9.1
57.07057	4.3
58.02954	6.3
58.05043	3.1
58.06578	5.1
60.04525	7.9
65.03932	3.9
67.05505	54.8
68.05046	4.3
69.03425	11.0
69.07059	15.4
69.66572	8.4
69.66992	14.4
70.06592	22.6
71.04990	4.5
74.06078	4.2
76.19425	3.0
79.05493	53.7
80.05009	9.5
81.03409	8.2
81.07053	47.4
82.06583	31.9
83.04977	2.9
83.08596	3.6
83.24755	3.0
84.04520	3.8
85.02901	31.5
85.06542	4.6
86.06070	8.5
86.09685	3.6
87.04492	4.5
91.05479	39.3
93.05777	3.0
93.07046	39.9
94.06021	5.1
94.06564	54.5
95.04956	9.1
95.08608	31.2
96.08125	49.3
97.02910	10.8
98.20982	8.2
98.21518	3.4
105.07039	31.3
106.06519	4.5
107.07308	3.9
107.08584	29.2
108.08099	9.8
109.06506	5.6
109.10136	14.9
110.09686	6.0
111.08100	4.8
112.07590	9.1
115.05436	5.1
115.98944	3.1
116.47445	3.2
117.07003	18.5
119.08578	23.3
120.08131	7.1
121.10133	24.2
122.09684	10.4
125.09634	8.6
127.03930	4.6
128.06215	3.7
129.06992	5.1
131.08557	20.5
133.10114	18.1
134.09683	9.9
135.11685	10.0
136.11183	7.3
141.11081	3.2
143.08589	13.7
145.10112	15.4
147.11690	13.4
148.11179	5.1
149.13274	4.4
151.11111	4.1
157.10135	8.8
159.11703	8.4
161.13272	4.2
162.12749	5.3
163.14830	3.6
164.14351	5.4
169.10208	3.1
171.11650	6.2
172.28473	3.4
173.13283	5.1
185.13306	4.1
187.14914	6.5
199.14896	4.3
201.16394	4.7
217.04781	5.9
218.05344	6.4
219.42114	3.2
241.19557	6.2
258.22134	18.1
259.88953	3.1
264.23245	12.4
276.23236	100.0
277.21353	7.5
282.24310	4.2
293.71661	3.3
294.24265	94.0
312.25275	61.1
329.06393	15.0
330.06921	34.4
330.26337	20.6
336.25400	4.2
438.28775	5.0
456.29565	10.1
474.30627	40.3
475.30276	4.0
492.31717	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	492.3166
Annotation	Morusimic acid C
Peak:m/z	Relative Intensity
52.71581	2.4
53.03938	6.2
55.01857	3.0
55.05500	11.0
56.05027	10.4
57.03426	5.9
57.88096	2.6
58.02947	2.8
60.04515	10.9
61.02933	3.5
62.50102	2.5
65.03936	4.6
65.04645	2.2
65.91875	2.7
67.05505	42.6
68.05002	6.3
69.03433	12.6
69.07075	13.6
69.89102	2.9
70.06592	27.3
70.74048	6.0
70.74383	4.8
71.04973	4.4
72.04496	4.2
79.05491	41.9
80.05007	9.9
81.03407	9.4
81.05779	5.0
81.07056	41.1
82.06572	25.6
83.04957	4.7
83.08635	6.5
84.08148	5.9
85.02914	25.8
85.06554	7.4
86.06052	8.3
86.09697	5.3
91.03983	2.7
91.05485	43.7
93.05818	3.4
93.07043	40.2
94.06569	60.4
95.04963	11.4
95.07349	3.7
95.08617	31.4
96.08120	36.9
97.02888	10.3
97.06528	4.1
98.09698	2.8
98.21249	4.3
99.08101	3.8
105.07032	26.0
106.06560	4.8
106.52036	2.5
107.08588	24.6
108.08112	12.5
109.02884	4.7
109.10136	16.0
110.09616	3.9
111.08098	3.6
112.07613	8.4
117.07024	16.4
118.06590	3.2
119.08595	22.1
120.08122	6.6
121.10130	15.7
122.09663	6.9
123.11723	2.8
125.09605	5.3
127.03875	6.5
129.07007	6.8
131.08557	22.6
131.78444	2.5
132.08037	3.9
133.10136	16.3
134.09633	11.8
135.11684	8.3
136.06236	4.1
136.11200	3.7
138.00133	2.6
143.08574	12.5
145.07658	3.9
145.10129	15.9
146.09573	2.8
147.11632	14.3
147.85452	2.9
148.11218	5.0
149.13272	3.9
157.10143	10.4
159.11702	7.1
161.13261	6.2
171.11673	8.7
173.13333	5.9
175.32182	2.5
185.13217	5.5
188.14227	2.6
201.16341	5.6
241.19513	4.9
254.25255	2.9
258.22162	17.7
259.20496	6.8
264.23163	6.2
276.23230	87.8
277.21585	8.6
282.24213	5.0
294.24298	100.0
301.31311	2.8
312.25284	57.0
313.65961	2.7
316.05750	5.1
330.06744	4.7
330.26526	13.3
331.08072	8.4
336.25388	3.0
343.37149	2.9
354.26315	2.5
438.28519	4.8
456.29352	15.7
474.30548	28.3
492.31644	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.8
55.05510	21.1
56.10950	3.4
57.03433	34.8
59.05008	4.3
62.06078	8.2
65.03935	3.7
65.61177	3.4
67.05507	73.1
69.07069	20.0
70.31446	6.7
70.31831	10.1
71.04998	7.4
79.05498	62.3
81.03415	8.7
81.07059	81.6
83.04996	6.7
83.08614	11.7
85.06546	7.4
91.05487	47.8
93.07049	66.2
95.04971	10.6
95.08607	52.1
97.06508	3.8
97.10167	6.3
98.06039	8.2
98.98476	18.4
99.08089	4.5
105.07044	42.9
105.81724	3.7
107.08598	38.4
109.06471	4.4
109.10174	21.2
111.08083	7.5
117.07025	12.7
119.08593	35.0
121.06534	3.6
121.10156	33.3
123.11687	6.9
125.09637	4.0
129.07019	7.4
131.08582	15.8
131.09547	3.5
133.10170	28.9
135.07996	4.0
135.11711	21.3
142.02652	5.7
144.08792	3.4
145.10114	16.3
147.11678	20.8
149.13284	9.2
154.12184	3.7
155.01039	4.7
159.11665	10.6
161.13248	10.3
162.73735	3.6
171.11783	4.1
173.13283	5.6
175.14822	4.6
187.14874	6.8
205.15968	4.5
220.16968	3.6
241.19649	7.8
259.20688	24.1
277.21628	17.5
293.21094	16.8
302.24890	8.4
320.25723	26.3
333.24246	59.3
351.25302	100.0
352.25455	5.2
389.90704	4.5
402.04010	4.3
422.11990	3.9
474.26920	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	492.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65592	3.5
53.39367	2.8
55.05500	16.0
56.96567	3.2
57.03437	10.1
61.70786	3.2
62.06093	7.9
67.05505	38.8
69.03423	5.1
69.07059	13.8
69.29184	34.8
71.08633	26.4
79.05481	23.3
81.03403	6.3
81.07052	45.3
82.07400	3.9
83.04967	9.4
83.08613	7.8
85.45703	3.0
88.69487	3.1
91.05461	23.3
93.07043	50.4
95.04958	13.0
95.08611	22.2
97.02891	3.5
97.06501	6.6
97.10165	3.5
98.21460	6.5
98.98449	12.4
99.08088	23.2
105.07020	14.1
107.08599	20.7
109.10151	8.7
117.07013	4.9
119.08581	19.6
121.10143	18.6
131.08559	5.4
133.10135	13.8
135.11681	18.3
136.06172	11.5
137.09532	3.3
142.61198	3.5
143.08540	7.2
145.10106	7.4
147.11742	7.5
149.13214	5.6
151.11209	14.4
155.01077	8.3
159.11646	4.7
161.13255	11.7
162.31104	3.7
163.11194	8.9
177.12730	3.6
179.14311	62.3
234.93092	3.2
238.18015	8.7
259.20596	8.4
269.10675	3.2
277.21640	50.5
294.79874	3.8
320.25653	22.0
333.14432	8.5
336.81247	3.6
351.25272	100.0
406.14691	3.8
431.21945	42.4
449.22717	4.4
474.26578	6.7
492.27869	4.9
497.11066	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	492.2717
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
50.21325	1.4
51.47723	1.2
53.03935	1.7
55.05511	8.8
55.24326	1.2
56.20866	1.4
57.03429	5.7
57.07066	2.5
65.03947	1.4
65.72536	1.4
65.80017	1.2
67.05172	2.2
67.05501	27.5
69.07056	7.2
69.67490	10.4
71.08630	24.8
79.05064	1.7
79.05494	21.1
81.03419	4.6
81.07051	28.7
83.04978	5.5
83.08615	5.8
85.02941	1.2
85.06556	1.4
91.05479	18.4
93.07040	28.8
95.04969	6.8
95.08608	15.4
97.06529	4.1
97.10173	3.5
98.20824	1.5
98.98474	2.8
99.08085	16.4
99.71384	1.3
105.07025	12.0
107.04954	3.3
107.08591	15.7
109.06560	2.6
109.10180	6.2
111.08101	2.2
113.09629	1.7
117.07063	3.0
117.08015	1.2
119.08579	11.1
121.06470	2.3
121.10151	13.1
129.06956	2.3
131.08569	2.8
133.10136	7.1
135.11688	16.9
137.09596	2.7
141.09090	3.9
143.08554	1.8
145.10104	3.6
147.11681	4.2
149.13231	5.3
151.11188	10.6
155.01053	2.0
161.13246	9.6
163.11177	3.7
171.11659	1.5
177.12776	2.1
179.14310	49.2
181.12607	1.3
181.74203	1.3
189.12808	2.1
221.15195	1.3
222.18445	4.0
235.16919	2.6
259.20599	3.7
277.21622	32.4
293.78433	1.5
320.25861	25.3
329.03247	1.4
333.24228	1.9
351.25284	100.0
352.25662	3.6
359.42160	1.3
409.88297	1.3
411.54529	1.4
431.21979	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
55.05519	1.5
56.32019	0.9
57.03437	1.1
57.71671	0.9
62.06073	1.1
67.05496	3.6
67.23434	1.0
69.03406	1.8
69.07061	1.5
70.06587	3.6
71.04980	1.1
72.08118	1.4
79.05491	3.0
81.03433	1.6
81.07043	4.7
84.04491	1.5
84.08139	2.8
85.02895	1.5
86.09695	2.5
90.68012	0.9
91.05485	5.0
93.07043	3.4
95.05001	2.0
95.08611	3.1
98.21449	2.7
105.07011	3.7
107.04954	1.6
107.08623	1.6
109.02887	1.6
109.10152	2.4
118.47011	0.9
119.04955	7.7
119.08537	1.6
120.08084	1.0
121.06528	1.3
121.10155	2.3
123.04430	31.7
123.08076	1.1
125.02336	1.2
127.03868	2.5
131.08565	1.5
133.10123	1.9
135.04393	2.4
136.06192	1.7
137.05981	2.3
139.03880	3.3
147.04408	25.1
148.04803	1.3
149.05963	2.5
149.09607	1.1
151.03906	88.1
161.05931	2.9
163.03865	2.1
165.05489	12.4
167.07021	1.8
167.08350	1.2
177.05495	7.9
201.09174	1.5
207.06525	2.1
219.10168	100.0
249.11261	1.9
292.12167	1.6
303.08536	2.9
312.05875	1.3
312.25473	2.7
330.06882	2.4
353.13928	1.5
371.14896	45.7
460.15948	1.4
460.32999	1.1
492.28711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
53.38013	3.7
55.05501	9.3
56.05029	6.2
56.49130	3.2
57.03431	12.8
57.39940	4.5
60.04526	7.7
62.99375	4.0
67.05492	31.9
69.03405	12.0
69.07060	7.6
70.06596	33.2
71.04990	40.6
72.08143	4.7
73.02893	3.6
75.04462	3.8
79.05479	19.2
79.68594	3.9
80.04982	5.7
81.03408	9.4
81.07050	28.9
82.06600	19.0
84.04492	4.7
84.08138	7.1
85.02897	56.3
86.09701	5.1
91.05470	25.4
93.07038	28.1
94.06561	27.7
95.04926	7.3
95.08598	24.8
96.08121	17.5
97.02866	5.8
97.06506	4.9
98.21516	10.5
99.04478	5.9
99.08058	3.3
103.05492	3.9
105.07027	23.8
107.08585	20.4
108.08131	5.0
109.06520	6.9
109.10146	9.8
112.07575	6.8
112.11864	3.2
117.07011	7.8
118.06506	4.7
119.08590	8.2
120.08081	10.2
121.10117	12.1
122.09588	6.0
123.40907	3.7
125.09628	5.0
127.03944	7.5
129.05443	11.1
129.06996	3.9
131.08560	15.1
133.10120	14.7
137.02341	31.5
137.03333	5.3
143.08524	4.7
145.10129	11.7
147.04384	3.7
147.11687	7.3
149.05963	6.9
150.12744	5.0
153.01822	15.9
157.10028	3.9
163.03868	13.6
164.07056	13.8
165.01938	3.5
166.08626	11.0
171.11607	6.5
192.06522	27.2
209.15390	5.0
217.13269	6.0
227.16350	7.2
237.05441	9.1
255.06435	7.0
258.22214	9.3
259.20523	5.8
264.23325	7.2
265.04880	4.9
273.07581	16.8
276.23239	55.4
283.06113	28.1
287.05499	6.3
294.24246	55.3
303.04922	17.0
311.05511	79.8
312.25305	40.0
315.05014	6.0
316.05789	19.2
328.08246	17.5
329.02936	6.9
329.06482	100.0
330.26318	8.4
331.08038	36.5
346.09235	82.6
456.29556	7.5
474.30478	25.0
492.31763	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	491.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83086	1.1
53.03949	2.9
55.01867	2.4
55.05500	1.5
55.16471	1.1
56.05015	1.3
56.96554	2.3
57.03435	3.1
61.02926	3.9
65.03947	1.2
68.37038	1.2
69.03429	10.9
70.06614	2.5
71.04994	1.3
71.57018	2.4
72.08158	14.9
73.02906	1.8
74.02431	5.4
79.05500	10.5
81.03416	5.2
84.04486	10.8
84.08141	4.4
85.02428	2.3
85.02905	32.7
86.09700	3.5
87.05579	11.5
88.03989	2.5
91.03937	1.6
91.05482	24.5
95.04983	3.6
97.02886	11.5
101.58255	1.2
102.05544	5.0
107.04948	21.4
109.02881	3.1
116.03440	3.5
116.98536	1.1
119.04941	63.0
121.06491	15.0
122.03641	2.4
126.34664	1.2
127.03909	5.8
129.06647	1.3
130.04974	1.5
131.04886	1.6
133.06078	37.1
135.04416	39.3
137.05981	42.0
145.04948	5.8
145.40906	1.3
146.99739	2.3
147.04410	96.0
148.04799	1.8
149.05984	27.4
151.07524	9.3
161.05998	2.7
163.07578	1.8
164.04674	1.7
167.07033	66.3
168.07404	1.9
177.05513	3.8
179.07034	100.0
180.07350	2.8
190.26712	1.4
191.07034	1.6
197.08093	3.4
219.64725	1.1
231.09785	3.5
233.11371	2.8
237.02777	1.3
240.11360	1.3
241.08304	1.6
242.98318	1.4
246.70676	1.5
259.09430	3.0
311.11237	2.7
315.04007	2.8
317.35904	1.4
347.63535	1.4
472.65521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03568	0.5
55.01868	0.9
69.07067	0.7
70.06588	2.0
70.31987	1.1
70.32361	1.0
71.04986	0.6
81.03432	0.6
84.08125	1.5
85.02924	0.7
86.09725	0.9
88.03994	0.8
91.05480	3.1
93.07079	0.6
103.05492	0.6
105.07024	1.6
109.06535	0.9
117.05575	0.6
119.04958	4.5
120.08105	1.3
121.08939	0.7
121.10123	0.7
131.04958	1.7
132.08104	2.3
133.06422	2.2
137.05981	4.3
140.07030	1.1
146.06044	1.1
147.04425	2.5
147.08006	0.7
148.07541	1.4
151.07504	3.0
154.79381	0.6
161.05984	1.4
162.06801	0.5
168.06554	1.4
174.07907	3.0
174.09210	0.7
175.03934	0.8
175.08742	1.4
176.13437	0.6
179.07060	2.2
182.24323	0.6
187.07492	0.7
198.09146	1.2
199.08705	1.5
199.12370	0.9
200.09393	0.9
201.10283	4.3
205.08554	1.1
207.06554	1.2
209.10896	0.7
211.08774	1.2
213.10236	1.8
214.10838	1.1
215.11809	6.0
216.12677	1.0
225.10280	1.3
226.08853	0.9
226.10858	1.0
227.08284	1.6
227.11723	4.6
229.09743	4.3
229.13388	2.2
238.12363	1.0
239.11894	3.4
241.09761	1.7
241.13425	0.7
242.10379	2.7
243.11258	2.8
244.12140	1.5
253.13414	2.0
255.11320	4.3
257.12802	3.1
269.12906	3.5
271.14581	0.9
273.12469	1.6
281.12958	3.9
283.10773	0.8
287.13803	5.7
288.14523	0.7
297.12387	2.4
298.13046	2.2
298.16165	0.6
299.13895	26.2
301.11703	0.9
314.04385	1.2
315.10217	0.4
315.13382	18.3
316.14157	68.7
317.14584	1.6
329.06519	4.6
341.13513	0.6
353.37939	0.5
394.68289	0.5
431.14377	2.7
463.16971	1.0
491.16589	100.0
492.17023	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	491.1185
Annotation	Dalspinin 7-O-galactoside
Peak:m/z	Relative Intensity
55.05537	0.2
69.03457	0.5
69.07082	0.4
70.06583	2.7
71.05004	0.4
71.58454	0.6
72.08179	0.6
75.01665	0.3
76.10983	0.2
78.85114	0.2
79.05502	0.4
81.03444	0.4
81.07066	0.6
84.04523	0.4
84.08160	0.8
84.45490	0.3
84.84158	0.2
85.02927	0.9
86.09698	1.3
91.05483	0.7
93.07066	0.6
95.04985	0.3
95.08699	0.3
97.02933	0.5
103.05479	0.2
105.07032	0.5
107.08614	0.4
109.02871	0.4
109.10187	0.3
119.08591	0.5
120.08114	0.4
121.10154	0.3
127.03984	0.4
129.07063	0.3
133.10129	0.3
136.07626	0.3
137.06020	1.0
141.07045	0.2
145.02927	0.3
147.04425	0.5
147.11803	0.2
147.44304	0.3
149.09633	0.3
152.01117	0.7
153.12732	0.3
159.08086	0.3
161.02408	0.3
163.03928	0.3
163.11246	0.3
165.01859	0.3
167.04965	0.4
167.07092	0.5
168.19330	0.2
170.02103	0.3
182.96321	0.2
184.05193	0.7
185.06030	0.9
195.04355	0.3
201.05486	0.3
201.18791	0.3
202.06261	1.0
212.04692	1.4
213.05440	4.0
223.03870	0.5
227.07036	0.4
229.04997	1.0
230.05775	0.6
240.04236	1.3
241.04930	3.0
251.03397	0.4
255.06465	0.4
257.04297	0.3
258.05240	2.2
263.14041	0.5
268.03595	0.5
269.04453	3.1
273.07584	0.6
283.05890	0.4
285.03946	5.1
286.04724	7.7
301.07047	1.1
314.04202	37.2
315.04587	1.0
329.06543	100.0
330.06897	2.0
491.11591	1.0
491.32010	0.5
500.81436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1184
Annotation	Dalspinin 7-O-galactoside
Peak:m/z	Relative Intensity
51.72804	0.2
60.04525	0.2
68.99786	1.7
69.03426	0.2
70.06584	0.8
70.40783	0.2
71.57504	0.3
71.57871	0.2
72.08152	0.7
79.05468	0.2
81.03442	0.2
84.04517	0.2
84.08144	0.4
85.02904	0.2
86.09688	0.6
91.05473	0.3
93.07053	0.2
95.04934	0.2
97.06535	0.2
98.97575	0.2
101.02374	0.2
103.05472	0.9
107.04987	0.3
119.08596	0.2
120.08104	0.2
121.10145	0.2
123.04414	0.6
129.10226	0.4
131.04939	1.4
145.06421	0.2
147.04388	0.8
151.03917	0.2
155.04893	1.5
159.11304	0.5
160.11644	0.3
161.02356	0.2
163.07571	0.6
167.03403	0.8
167.04837	0.3
173.05865	0.6
175.03938	0.2
176.04720	0.2
177.05376	0.2
183.04424	1.3
185.05974	0.6
187.10793	0.3
188.04749	0.2
195.04405	0.8
199.03915	0.7
201.05469	1.9
202.02632	0.4
203.03387	2.1
213.05441	1.8
216.04073	0.3
218.05724	0.7
220.03725	0.4
223.03845	0.4
227.03563	0.4
227.06975	0.4
231.06526	0.7
233.08179	0.6
241.04987	0.7
244.03590	0.3
245.07980	0.2
251.03236	0.3
255.06543	0.3
259.06042	2.8
260.06339	0.2
268.03729	0.5
269.04395	0.7
273.07617	0.7
278.00555	0.2
283.06088	0.4
285.03961	1.8
285.07272	0.3
286.04694	2.3
301.07013	0.4
311.05371	0.2
313.03418	8.1
314.04199	10.8
315.04672	0.3
329.06537	100.0
330.06866	3.1
387.03516	0.4
405.14456	0.2
491.11130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1183
Annotation	Dalspinin 7-O-galactoside
Peak:m/z	Relative Intensity
51.94828	0.2
53.03926	0.3
55.01881	0.3
55.05515	1.1
55.05724	0.2
55.95277	0.2
67.05511	1.2
68.99786	0.3
69.03407	0.7
69.07059	0.4
71.04974	0.4
79.05499	1.0
81.03407	0.4
81.07022	0.9
83.04985	0.2
83.08604	0.3
85.02901	0.5
87.46406	0.2
88.22235	0.2
91.05486	1.2
93.07030	0.9
95.04948	0.7
95.08588	0.6
97.02853	0.4
97.10166	0.6
99.04442	1.5
105.07005	0.6
107.04934	0.5
107.08565	0.8
109.06524	0.2
109.10099	0.2
117.06954	0.4
119.04850	0.3
119.08600	1.1
119.61930	0.2
121.02840	0.3
121.06476	0.3
121.10134	0.6
123.04436	0.3
125.02344	1.5
125.09600	0.4
127.03975	0.2
129.03415	0.3
129.07037	0.3
131.08560	0.4
133.10107	0.5
135.04384	0.4
135.08057	0.3
135.11670	0.3
137.02219	0.2
137.05923	0.2
139.05391	0.4
145.06509	0.3
147.04411	4.9
147.08058	0.5
155.04797	0.2
157.02847	0.5
157.10046	0.3
159.08066	0.2
161.02342	0.3
161.09592	0.3
162.03099	0.4
163.03885	0.3
163.11296	0.3
167.03456	1.3
167.04739	0.3
171.04260	0.2
171.11856	0.2
175.03897	6.0
180.20482	0.2
183.04282	0.2
184.05290	0.2
185.05977	1.0
186.49707	0.2
189.01686	0.4
189.09042	0.2
189.11206	0.3
195.04425	0.6
199.07547	0.9
201.05388	0.2
202.06235	0.4
203.03384	37.7
204.03677	0.7
207.02766	0.2
213.05516	1.3
214.06276	0.2
217.08626	0.5
219.13834	0.5
227.03497	0.3
227.06975	2.4
227.12700	0.5
231.06503	0.3
237.05397	0.4
240.04224	0.3
241.04897	0.6
242.05699	0.6
244.03654	0.4
245.08031	1.6
247.13437	0.4
255.06487	1.3
259.05969	1.3
265.04871	0.5
268.03641	0.5
269.04636	1.1
273.07562	2.6
274.16269	0.2
283.06036	0.8
284.08728	0.2
292.41269	0.2
301.07059	3.0
311.05331	0.3
314.04285	0.4
329.06534	100.0
330.06830	3.1
332.17960	0.2
344.83316	0.2
480.18222	0.2
491.11783	1.8
491.26730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.118
Annotation	Dalspinin 7-O-galactoside
Peak:m/z	Relative Intensity
55.05485	0.3
55.16968	0.2
68.99780	0.4
69.03397	0.9
69.24447	0.2
71.04997	0.3
71.29095	0.4
81.03400	0.2
81.07027	0.5
85.02879	0.7
90.75062	0.2
91.05457	0.6
95.04951	0.4
95.08589	0.3
97.02888	0.3
99.04448	1.4
125.01637	0.2
125.02370	1.8
147.04405	5.1
157.02821	0.4
161.02296	0.7
162.03069	0.3
163.03833	0.3
167.03441	1.2
175.03893	6.5
183.04460	0.3
185.05943	1.2
189.01848	0.3
199.03922	0.3
199.07549	1.3
203.03384	43.1
204.03691	0.8
211.07578	0.4
213.05513	2.1
217.08527	0.3
220.03673	0.3
224.04578	0.3
225.05576	0.4
227.03421	0.5
227.07005	2.8
230.05637	0.4
237.05452	0.6
240.04079	0.4
241.04913	0.7
242.05670	0.4
245.08049	1.4
255.06517	1.2
259.06018	1.2
265.05121	0.3
268.03717	0.8
269.04498	0.8
273.07550	3.6
283.05960	0.9
286.04834	0.3
301.07071	3.6
314.04016	0.3
329.06528	100.0
330.06866	2.8
382.48312	0.3
411.20349	0.3
491.11807	20.6
492.12115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3575
Annotation	Cimigenol
Peak:m/z	Relative Intensity
52.32888	1.4
53.03938	2.9
55.01867	1.8
55.05512	18.5
57.03439	9.7
57.07072	7.2
59.05005	2.3
65.03937	2.4
65.06613	1.9
67.05506	71.6
69.03420	2.0
69.07063	17.7
71.01328	2.8
71.05009	3.7
71.08628	6.2
73.02911	3.2
79.05497	28.8
81.07056	48.0
83.04977	2.9
83.08627	11.6
85.02900	4.9
85.06554	3.3
85.10178	2.3
91.05474	25.7
93.07046	33.6
95.04980	4.4
95.08606	32.5
97.02879	2.4
97.06506	3.4
97.10175	4.3
99.08095	1.8
100.34589	1.7
105.07035	24.8
107.08604	21.5
109.10156	41.0
110.06933	1.7
111.08096	2.8
113.02361	2.4
117.07040	7.8
119.08591	30.2
119.74638	1.9
121.10143	15.3
123.11708	3.2
125.09665	2.9
129.07010	7.1
131.08574	17.8
133.10138	16.6
134.35466	1.9
135.08051	2.3
135.11720	11.0
139.11201	2.4
141.01779	1.9
143.08559	7.3
145.10139	16.6
147.11707	12.8
149.13300	5.6
155.08557	3.8
155.10732	2.0
157.10138	5.9
159.11693	13.1
161.13246	9.1
163.14763	2.3
169.10162	3.3
171.11719	6.7
173.11765	9.6
173.13275	9.6
175.14893	2.8
183.11710	5.1
185.13290	5.6
187.14828	3.9
197.13263	3.1
199.14874	4.1
201.16388	1.6
211.14937	2.6
213.16577	2.3
219.17674	2.1
225.16440	2.0
227.18109	3.2
239.23721	2.4
241.40627	1.8
243.21306	1.7
259.20602	2.8
261.22278	5.0
271.20801	1.8
273.22250	2.0
285.22116	3.4
299.23779	2.1
313.27457	5.5
377.26913	4.4
379.29980	12.3
391.28836	2.0
397.31064	17.1
415.32175	6.3
433.33197	3.2
435.32773	2.1
453.33710	2.4
460.65842	1.9
471.34842	17.2
489.35828	100.0
490.35721	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	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01876	4.0
55.05511	23.5
57.03429	8.9
57.07063	2.9
62.57413	2.0
65.03918	3.1
67.05502	60.9
69.07066	18.4
71.04966	3.3
71.08609	2.7
71.58121	3.1
71.58545	2.2
75.23856	2.3
79.05051	3.2
79.05492	32.0
81.07050	41.2
83.08621	9.4
85.06574	2.1
87.04539	2.1
89.48432	2.2
91.05473	31.8
93.07046	38.5
95.04984	5.2
95.08601	32.9
95.61907	2.2
97.06538	5.5
97.10162	8.0
103.05431	2.6
104.65153	2.3
105.07024	36.3
107.08573	21.3
109.06494	2.7
109.10152	27.0
111.08105	3.3
111.87390	2.2
117.07005	12.3
119.07721	1.5
119.08571	47.4
121.10131	14.2
123.11726	2.7
125.09602	4.7
125.32269	2.2
128.06163	3.6
129.07024	14.3
131.08562	30.0
133.10129	20.0
135.11671	12.5
143.08572	10.2
145.10109	26.7
147.11693	14.1
149.13264	6.3
155.08548	3.6
157.10127	12.9
159.11711	13.5
161.13278	12.9
169.10118	5.8
171.11710	9.2
173.11702	6.7
173.13278	11.4
175.14842	6.1
181.10091	2.5
183.11682	5.6
185.13222	9.5
187.14786	8.7
189.16353	4.2
197.13214	6.2
199.14816	5.0
201.16353	2.9
211.14784	5.4
213.16496	3.9
225.16412	2.9
255.21091	3.8
259.20740	2.3
261.21982	3.7
262.26559	2.3
271.20502	3.4
285.22141	3.8
315.23184	2.3
363.25287	2.7
377.26974	4.8
379.29993	18.9
391.28329	7.0
397.31024	35.9
415.32169	6.4
463.51349	2.1
471.34827	19.4
489.36487	100.0
490.36166	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	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46799	1.8
53.03942	3.3
55.01868	3.0
55.05506	19.2
57.03428	4.6
57.07067	4.5
59.04987	3.0
65.03938	3.8
67.05502	98.0
69.03387	1.7
69.07066	15.5
69.24057	1.7
71.04982	4.8
71.59258	2.3
79.05061	3.0
79.05489	40.1
81.07049	48.6
83.04974	2.5
83.08620	9.1
85.06546	4.0
91.05471	34.3
93.07041	43.1
93.07616	2.2
95.04973	6.2
95.08049	3.0
95.08604	34.1
97.06512	4.9
97.10159	3.6
103.05474	1.8
105.06374	3.0
105.07026	28.0
107.08595	21.6
109.10154	56.1
111.08068	4.3
117.07013	11.1
119.08581	32.6
121.10133	20.9
123.11720	2.0
125.09574	2.6
129.07018	5.1
131.08565	21.5
133.10139	19.2
135.11673	14.1
137.09589	3.4
139.11131	2.5
141.07004	2.9
143.08583	5.6
145.10100	16.5
147.04390	1.6
147.11652	15.4
148.65982	1.8
149.13246	5.8
155.08659	1.7
155.10696	1.6
157.10104	7.8
159.11703	14.3
161.13245	10.0
163.14890	1.9
169.10103	2.4
171.11703	5.0
173.11745	15.4
173.13261	10.4
175.14874	2.2
183.11697	3.8
185.13255	6.2
187.14856	3.8
197.13251	3.7
199.14801	3.5
201.16248	2.4
213.12737	1.7
213.14720	2.3
261.22150	5.8
271.20789	2.2
294.38568	2.0
299.23737	2.0
308.34607	1.6
379.29901	10.8
391.28680	3.3
397.31015	16.3
415.32043	7.6
433.32455	1.7
471.34882	9.7
489.35748	100.0
490.36044	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	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.05263	2.2
55.05508	26.0
57.03416	6.6
57.07071	3.4
59.05003	3.1
65.03932	4.1
67.05502	100.0
69.07066	19.0
71.04971	5.0
71.13872	3.2
79.05488	40.9
81.07055	52.6
83.08632	9.8
85.06545	3.0
91.05475	36.5
93.06475	2.7
93.07041	45.1
93.07629	2.8
95.04963	5.6
95.08607	33.2
97.06523	4.5
97.10174	5.7
99.08090	1.6
100.99307	1.4
105.07026	29.9
107.08593	25.7
109.06439	1.9
109.10152	59.5
111.08076	2.3
117.07014	11.9
119.08575	35.9
121.10144	19.9
121.53785	1.4
123.08063	2.5
123.11685	3.7
125.09601	2.0
129.06995	4.8
131.08575	19.6
133.10129	20.2
135.11670	9.8
137.09602	4.1
139.11157	2.1
143.08572	7.1
145.10124	20.4
147.11662	13.7
149.13278	6.8
155.08557	2.3
155.10654	3.4
157.10149	7.3
159.11671	13.3
161.13202	8.2
166.00980	1.6
169.10178	2.5
171.11723	5.6
173.11745	17.5
173.13272	8.6
175.14824	2.9
183.11714	4.1
185.13188	7.2
187.14830	4.1
189.16302	2.1
197.13254	4.8
199.14838	3.8
201.16402	1.8
225.16402	1.6
241.19571	2.0
243.21059	1.9
260.20361	1.4
261.22101	4.9
269.22620	2.1
273.22165	2.4
277.21759	1.8
285.22079	2.3
295.50513	1.4
299.23508	2.6
363.25494	2.0
379.30035	8.9
391.28430	2.1
397.31015	17.2
415.32095	4.5
433.33572	1.9
471.34714	13.4
489.35739	98.2
490.36249	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	489.3576
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03935	3.0
55.01858	2.9
55.05265	2.0
55.05513	20.7
57.03431	5.1
57.07054	2.8
59.04994	1.6
61.24702	1.5
65.03931	4.5
67.05505	86.4
68.05824	1.6
69.07066	17.4
69.49554	10.5
69.49963	2.9
71.04971	2.9
79.05060	3.0
79.05493	37.4
81.07058	51.7
83.04986	2.3
83.08620	9.9
91.05480	30.6
93.07047	42.4
95.04964	4.6
95.08605	32.4
97.06553	3.3
97.10169	7.1
105.07023	25.4
107.08595	19.7
109.06549	2.0
109.10154	48.4
111.08103	4.1
113.04209	1.8
115.05499	1.6
117.07014	11.4
119.08580	33.6
121.10136	20.2
123.08061	2.8
123.11732	2.2
129.07010	6.2
131.08566	17.9
133.10133	20.6
135.11708	11.7
137.09633	4.4
139.11142	3.9
141.06985	2.8
143.08551	8.9
145.10133	21.1
147.11688	15.8
148.11502	1.7
149.13290	6.9
155.08612	3.5
157.10175	8.4
159.11696	13.8
161.13271	8.1
163.14871	2.6
169.10130	3.8
171.11700	6.8
173.11749	11.1
173.13289	10.8
175.14827	3.0
180.24591	1.6
181.10019	1.6
183.11752	3.8
185.13348	3.4
187.14897	5.9
197.13322	2.1
199.14844	4.2
201.16362	2.1
211.14874	3.6
213.14824	2.1
213.16579	2.7
227.71207	1.6
239.17896	2.6
241.19650	2.5
243.21138	2.0
253.19800	2.3
257.19180	1.8
261.22183	6.8
267.21234	1.9
271.20682	2.8
281.89029	1.6
285.22092	3.4
299.23611	2.2
303.23270	1.9
358.71222	1.5
377.26813	3.7
379.29990	15.0
391.28534	2.5
397.30988	19.7
415.32184	6.5
433.33417	1.6
435.32858	2.8
453.34070	2.1
471.34741	16.8
484.36649	1.5
489.35834	100.0
490.36609	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	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01865	2.6
55.05264	1.7
55.05513	23.5
57.03436	5.3
57.07066	3.0
58.69949	0.9
59.04996	3.5
65.03934	3.9
67.05505	100.0
69.07067	18.3
69.31837	11.3
71.04990	5.1
71.07993	1.0
78.56115	1.1
79.05492	40.3
81.07054	48.9
83.04972	2.9
83.08613	13.0
85.06544	2.6
91.05476	28.4
93.07046	43.5
93.07635	2.4
95.04967	6.9
95.08606	34.6
97.06515	2.7
97.10162	5.1
99.08053	1.0
105.04527	1.0
105.06305	1.4
105.07024	31.7
107.08583	22.0
109.06525	2.9
109.10152	54.8
111.08092	3.3
115.05416	1.4
117.07010	12.9
119.08579	29.6
121.10137	17.5
123.08087	1.6
123.11718	3.0
125.09633	2.4
129.07025	3.4
131.08580	18.8
133.10141	20.6
135.11710	10.6
137.09613	3.5
138.78804	1.1
139.11115	1.4
141.06978	1.5
142.07719	1.0
143.08571	6.8
145.10118	17.9
147.11670	13.9
147.12639	1.3
149.09596	1.5
149.13269	5.6
151.11272	1.2
155.08606	3.1
155.10661	2.2
157.10133	7.4
159.11687	16.5
161.13266	8.8
163.14864	2.1
169.10173	3.4
171.11697	6.5
173.11755	14.4
173.13289	10.3
175.14845	3.4
183.11700	3.9
185.13228	5.4
187.14842	4.1
188.82138	1.1
189.16376	1.3
197.13300	3.5
199.14848	4.1
201.16411	1.9
211.14824	2.5
213.14716	2.2
213.16505	2.1
227.18074	1.6
229.14378	1.4
243.17418	1.2
255.21130	1.8
259.20602	2.3
261.22165	4.2
271.20670	2.2
273.22223	1.5
285.22104	2.5
291.57532	1.1
299.23734	1.6
301.21817	1.3
333.24323	1.1
377.26843	2.1
379.29922	8.0
391.28610	1.2
397.30994	13.9
415.32156	3.7
471.34659	10.8
489.35797	84.7
490.36249	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	489.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.2
55.05304	2.3
55.05513	27.0
57.03437	32.6
57.07076	100.0
61.02939	3.2
65.03927	2.9
67.05505	80.5
69.03430	14.0
69.05944	1.9
69.07072	31.7
71.01357	34.4
71.05002	3.2
71.08633	71.4
71.36018	2.4
71.59135	3.1
73.02922	54.4
73.31152	2.0
75.04462	5.7
79.05500	18.8
81.03399	3.3
81.07059	68.2
83.01337	6.5
83.04958	3.8
83.08621	38.5
85.02906	95.2
85.06543	3.7
85.10181	34.5
91.05491	16.5
93.07032	16.2
95.01334	12.4
95.04963	4.6
95.08606	87.4
97.02892	35.0
97.10162	20.3
98.61723	2.4
99.00817	9.4
99.04454	8.2
99.08114	2.8
99.11752	5.1
101.02396	12.6
103.03926	14.4
105.07024	12.9
107.08595	12.9
109.10155	55.6
111.11732	5.2
113.02362	35.4
115.03896	2.5
117.07034	5.6
119.08588	15.3
121.10155	9.0
123.11716	15.9
125.13284	6.5
129.07076	3.4
131.03392	29.3
131.08546	11.8
133.10132	11.5
135.11710	5.9
137.13268	8.4
141.01830	37.5
143.08562	7.0
145.04948	6.1
145.10126	6.3
147.11696	7.5
151.14856	3.6
159.02911	12.2
159.06557	10.0
159.11681	5.9
165.16348	5.0
169.04916	13.5
169.10101	2.4
171.11789	2.8
173.11783	4.1
173.13199	3.5
175.14848	2.6
179.48409	2.3
185.13182	4.0
187.06004	7.1
187.14830	2.7
197.04442	9.2
215.05484	14.8
221.22694	5.1
233.06628	4.4
239.23718	55.5
257.24774	7.5
313.27371	84.5
325.94659	2.8
355.28662	10.6
379.30017	5.4
391.74890	3.0
397.30826	7.6
433.10172	2.8
453.28400	3.7
471.34909	5.9
489.30319	10.9
489.36337	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.4
60.04528	13.1
60.05651	20.4
64.79452	2.4
69.03425	9.8
69.47670	5.9
69.48080	15.7
70.06595	16.4
72.08156	100.0
73.06453	3.9
73.79189	2.3
74.07190	3.5
79.05528	2.7
81.03400	2.5
81.04553	2.6
84.04481	5.6
84.05633	3.1
85.02900	26.8
85.04023	20.0
86.02428	6.9
86.07169	4.6
87.07975	3.5
88.08752	6.6
89.10789	14.8
95.01378	2.4
95.04960	10.4
96.04478	6.4
97.02886	21.8
97.07640	21.1
98.06057	16.4
100.07675	4.2
100.08736	8.0
107.04940	9.1
109.02883	3.9
112.88234	2.8
114.06665	3.1
114.09160	6.5
114.10293	70.5
115.03943	3.3
115.08686	9.4
116.08269	4.1
116.11827	3.3
119.04945	4.5
121.02878	5.9
123.04422	15.4
126.05515	4.8
127.03927	7.9
127.04940	3.1
127.08669	6.8
128.07074	23.9
130.09503	2.3
131.12914	25.8
133.02835	9.5
134.05971	3.4
135.04398	7.2
138.10225	6.1
139.08670	6.2
140.08249	3.7
142.09709	3.1
144.06551	14.2
144.07629	5.4
145.04980	4.5
145.09756	4.1
147.04410	49.2
150.05522	2.4
151.03905	9.3
152.08165	2.5
155.12985	3.8
156.11353	5.2
157.10875	13.6
158.09358	4.6
162.05542	4.1
162.07616	14.7
163.03897	21.8
173.13966	11.3
178.05077	5.1
179.03372	22.1
187.07164	4.7
187.11899	37.1
201.13464	6.3
203.11913	2.7
204.10201	4.8
205.08224	15.4
216.10139	3.2
217.13347	4.7
222.10986	2.9
229.12885	5.2
232.09616	16.4
240.87221	3.2
249.12434	6.0
250.10602	3.0
260.13922	4.0
262.14056	4.8
267.13425	3.8
274.11835	3.3
276.15729	3.3
277.16568	9.1
291.14377	5.3
293.18250	63.7
305.15887	5.4
309.15555	13.7
319.16476	3.3
327.16388	3.3
349.17184	48.6
377.31271	3.2
413.20193	9.4
438.21255	12.0
439.21881	34.5
443.21536	5.6
453.19501	3.8
454.20425	8.6
455.21597	15.6
471.20670	18.1
483.65842	2.8
489.21933	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	489.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.3
55.05496	8.8
56.05028	3.7
60.00062	1.9
60.04508	11.2
60.05643	15.3
60.26060	2.0
69.03426	11.6
69.11627	2.1
69.16336	2.6
70.06589	21.2
71.58176	2.5
71.58527	3.4
72.04516	3.8
72.08151	100.0
72.44782	2.2
73.06428	2.8
74.07201	3.8
79.05498	3.0
81.03414	4.9
84.04511	16.9
84.05602	3.5
84.08150	7.4
85.02897	23.7
85.04013	19.5
86.02415	7.7
86.07203	3.6
86.09702	17.2
88.03991	3.3
88.08752	4.4
89.10789	12.5
91.05487	5.7
95.04951	7.5
96.04498	5.0
97.02882	17.8
97.07643	10.1
98.06049	15.8
99.09209	2.5
100.05067	2.4
100.07609	3.9
100.08736	6.4
102.05536	4.3
107.04951	14.1
109.02899	5.4
110.07177	3.4
114.06615	3.3
114.09206	5.2
114.10286	58.0
115.08691	17.8
116.11855	2.7
119.04922	4.5
119.08524	2.7
120.08125	3.7
121.02852	10.4
123.04407	11.3
126.05515	5.8
126.06618	2.5
127.03883	7.4
127.05051	3.3
127.08680	3.5
128.07089	25.5
129.10245	5.5
131.12924	28.6
133.02861	3.4
134.03661	2.4
134.06013	2.4
135.04433	9.0
136.07558	3.6
137.05986	4.3
138.10326	3.7
139.08638	3.8
144.06538	19.3
144.07681	5.6
145.05013	2.4
145.09656	2.7
147.04402	73.1
150.05524	3.3
151.03920	7.1
153.79369	2.4
155.12907	3.4
156.11308	10.3
157.06277	2.4
157.10841	11.6
158.09242	6.1
159.12378	4.8
162.03142	5.9
162.07605	14.9
163.03889	18.9
170.09190	3.3
173.12749	4.2
173.14021	9.5
176.10661	2.9
179.03342	12.6
180.08600	3.1
187.07149	7.4
187.11906	44.2
198.12407	3.0
201.13524	6.3
205.08240	15.4
206.08273	2.4
217.13361	9.6
218.11717	8.1
222.11115	7.4
222.47079	2.3
226.12053	2.4
229.13049	4.6
232.09624	3.4
234.11191	4.0
235.14323	3.4
243.13495	3.7
250.10667	7.0
257.15979	5.7
258.14438	3.3
260.13986	10.5
262.13989	10.3
274.11798	4.7
275.17313	2.7
277.16602	17.8
293.18274	78.8
302.15042	3.2
303.16666	3.1
309.15524	12.1
319.16144	3.8
327.16614	5.2
343.17697	2.8
344.16019	3.2
349.17194	52.1
413.20279	9.6
439.21799	92.7
443.21423	5.1
454.20490	8.7
455.21463	20.6
456.21976	3.5
471.09198	2.5
471.20996	33.2
472.21594	7.4
489.10504	3.2
489.21872	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.5
60.04531	12.2
60.05399	2.2
60.05648	21.3
61.02931	2.2
69.03413	7.2
70.06594	18.5
71.32294	2.1
72.04524	3.0
72.08156	100.0
73.02905	2.0
73.06467	2.2
74.02423	3.0
74.07188	5.4
79.05509	2.9
81.03408	4.4
84.04494	6.6
84.05614	3.8
85.02920	20.5
85.04025	23.2
86.02415	6.1
86.07185	7.9
86.09693	4.0
87.07973	2.3
88.08761	4.1
89.10818	11.5
89.11264	2.4
91.05447	2.7
95.04961	6.3
96.04491	4.8
97.02909	18.0
97.07658	15.6
98.06052	18.3
100.07552	2.5
100.08759	9.2
107.04951	10.1
109.02885	5.0
114.06666	2.9
114.09149	3.9
114.09383	3.5
114.10297	64.1
115.08695	12.1
116.08174	3.6
116.11832	2.2
119.04908	4.8
121.02860	5.8
123.04448	15.4
126.05557	3.3
127.03911	7.4
127.08646	9.6
128.07086	30.8
130.06158	2.2
130.08601	2.2
131.12924	28.2
133.02864	9.7
134.03606	2.2
134.06009	3.2
135.04465	9.0
138.10260	4.8
139.08673	5.2
140.08179	4.2
144.06546	16.0
144.07666	4.6
145.04936	3.5
147.04411	46.4
150.05470	2.2
151.03873	8.8
152.08171	3.5
155.12927	3.6
156.11357	12.1
157.10898	12.6
158.09206	3.6
159.12398	2.6
161.02419	3.0
162.03271	2.8
162.05533	3.1
162.07607	16.3
163.03923	22.9
170.09265	3.3
173.13979	9.3
178.05029	6.4
179.03407	19.2
180.08644	2.5
187.07182	6.3
187.11923	38.4
197.14017	2.3
201.13425	5.8
204.10107	2.4
205.08212	10.0
216.10129	2.5
217.13358	3.1
218.11679	4.3
222.10794	3.7
229.12929	5.2
232.09711	13.3
233.12764	2.9
234.11076	3.5
246.12166	2.7
248.12273	2.0
249.12364	4.1
250.10728	5.4
257.16132	2.9
260.13904	5.9
262.13992	7.2
267.13495	2.5
274.11761	3.5
276.15558	5.4
277.16653	15.4
281.16354	2.8
291.14526	4.2
292.12695	3.5
293.18320	54.2
294.18387	2.3
305.16452	2.4
309.15674	13.1
312.87317	2.0
319.16199	3.5
327.16513	2.8
349.17221	43.2
413.20294	6.4
437.20245	2.6
438.21323	9.8
439.21915	29.9
440.22122	3.5
443.21243	3.3
454.20490	7.1
455.21277	14.7
471.20816	12.0
484.05676	2.1
489.21909	48.0
490.23389	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01863	3.4
55.05506	9.3
56.05035	2.9
57.03428	5.3
57.07068	9.9
58.99580	18.9
59.20699	1.6
65.03938	2.1
67.05501	18.3
69.03429	3.7
69.07049	7.6
69.47101	14.3
71.04974	7.9
72.08163	3.4
73.02912	1.7
76.02228	68.2
76.03969	2.1
79.05498	15.3
80.05020	2.7
81.03418	2.2
81.07052	21.2
83.04982	15.7
83.06081	7.4
83.08609	5.9
84.04502	24.8
84.08140	3.3
85.02890	5.5
85.06538	4.2
86.09696	2.5
86.99039	6.6
88.02219	1.9
91.05470	15.5
92.05836	2.0
93.07047	17.6
95.04952	7.0
95.08608	10.8
96.05291	2.7
97.02879	3.8
97.06538	4.2
99.05576	1.8
105.00076	8.6
105.07011	5.6
107.04941	2.7
107.08582	16.1
109.06505	2.9
109.10137	7.8
111.08085	2.6
112.45607	1.6
116.01685	28.9
117.03406	2.4
119.04950	13.4
119.08569	3.5
120.05271	5.2
121.06477	2.3
121.10141	8.7
123.04474	1.9
123.11681	5.4
125.09622	15.0
129.06587	6.0
130.04990	8.6
137.09599	2.1
139.11154	7.3
141.07292	2.4
142.03178	5.1
144.01129	15.2
145.02826	3.4
146.03125	2.0
147.04419	41.2
148.04745	22.3
149.05984	4.8
149.09555	1.9
162.02190	52.1
163.14838	8.3
167.07077	3.0
170.02713	3.7
177.05441	6.0
179.04849	100.0
181.15881	83.2
184.07339	6.3
187.05368	5.3
205.15880	3.9
216.06874	2.7
224.11230	1.8
233.05913	23.0
239.14612	7.0
242.12111	2.6
245.05904	2.1
275.19885	1.8
291.06470	2.2
297.45667	1.8
303.08594	2.7
304.09039	4.9
308.09143	9.2
312.19583	11.3
322.10025	3.9
327.05048	1.9
341.18842	11.5
359.19937	2.4
362.16534	1.9
413.21054	20.6
432.85751	2.1
436.47101	1.9
470.22989	5.1
488.21436	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	487.3416
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.01865	8.2
55.05507	39.4
55.89998	3.8
56.96555	4.9
57.03438	7.4
57.07063	4.1
59.04986	5.0
59.11762	3.4
61.02923	5.8
65.03945	5.3
67.05498	69.8
69.03424	8.6
69.07066	31.0
70.91662	12.9
71.04972	10.4
79.05493	55.2
81.03404	9.4
81.07053	100.0
83.04963	16.4
83.08620	17.1
84.04494	15.1
85.02904	13.4
85.06567	6.2
86.09676	7.0
91.05479	74.9
92.57941	4.4
93.07038	54.5
95.04962	11.1
95.08601	47.2
96.04764	4.7
97.02908	6.1
97.06511	6.4
97.10162	12.6
99.08101	5.1
105.07020	70.2
107.04951	10.6
107.08603	38.0
109.06500	10.2
109.10155	24.0
111.08039	5.0
117.03362	5.7
117.07011	32.8
119.08580	67.1
121.06512	4.9
121.10134	29.9
123.08073	5.3
123.11680	26.2
128.06229	6.6
129.07013	21.7
130.05060	5.8
131.08582	38.1
133.10147	31.4
134.98170	4.0
135.11678	7.4
137.09535	6.0
141.06995	11.0
142.07709	5.7
143.08556	30.8
145.10149	22.8
147.04402	5.1
147.11670	50.9
149.09602	11.9
149.13245	9.1
155.08511	11.8
157.10129	26.2
159.08031	6.0
159.11731	22.6
161.09598	6.8
165.12753	21.3
169.10121	14.4
171.11696	16.6
173.09692	6.6
173.13283	8.3
175.11188	7.0
177.05469	13.7
181.10117	7.6
183.11679	9.9
184.07300	10.1
185.13257	14.4
195.11743	7.6
197.13194	5.9
199.14836	5.4
263.20233	4.2
267.08975	8.2
269.10544	8.9
275.20181	12.6
277.21707	5.0
285.10129	14.2
313.21426	6.0
349.17123	5.2
391.26407	3.9
403.28961	4.5
433.30954	15.3
451.32239	30.1
469.23251	7.7
469.33072	53.3
487.34384	70.5
488.34448	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	487.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.8
53.03945	9.4
55.01867	4.6
55.05515	22.4
56.44308	1.4
57.03428	4.7
57.07050	2.0
65.03933	4.8
65.19832	1.4
67.05505	69.0
69.03426	2.7
69.06760	1.4
69.07074	12.4
69.78487	8.9
71.04979	3.1
71.78047	1.6
71.80136	1.4
73.06548	3.2
79.05493	100.0
81.03420	11.7
81.06584	3.3
81.07056	60.3
83.04979	17.9
83.08614	7.8
85.02887	1.7
85.06519	3.5
85.81924	1.3
91.05480	84.9
93.07041	75.7
95.04372	2.0
95.04970	38.4
95.08608	33.2
97.06517	9.1
97.10167	4.1
98.20844	2.6
99.08138	1.4
103.05482	2.9
105.04517	3.4
105.07034	55.3
105.91361	1.5
107.04972	9.1
107.08601	25.1
109.06551	7.6
109.10180	6.9
115.05457	2.7
117.07008	15.5
119.08578	38.2
121.06483	4.8
121.10166	9.1
123.08069	8.1
127.07571	1.9
128.06203	5.6
129.07010	25.2
131.08572	7.7
133.10147	12.4
135.08076	1.9
135.11685	4.7
136.58031	1.8
143.08580	12.4
145.06566	1.5
145.10117	14.1
147.08026	3.3
147.11690	35.7
156.09283	2.0
159.11615	2.7
161.09630	4.2
161.13268	21.6
163.11177	2.7
171.11687	37.7
179.14308	6.2
184.07364	1.6
189.12758	15.9
207.13792	34.3
225.14824	13.7
263.16449	1.7
263.38248	1.8
274.86890	1.5
276.79761	1.4
281.17532	3.8
285.09952	1.6
311.04193	1.4
319.96024	1.5
358.06644	1.5
487.30371	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	487.0843
Annotation	Tjipanazole E
Peak:m/z	Relative Intensity
61.02908	0.6
61.23761	0.5
70.06582	6.3
72.08143	1.2
84.08147	0.7
85.02907	1.1
86.09702	4.4
93.07022	0.7
95.08580	0.5
97.02824	0.5
119.08562	0.9
121.10119	0.7
137.05963	0.7
147.04477	0.7
149.09625	0.6
165.27246	0.5
174.81395	0.5
177.05539	0.6
185.04202	18.1
199.17964	0.6
225.06703	0.6
229.15584	1.0
302.52795	0.6
324.02426	6.5
325.03174	10.4
326.06677	0.8
336.24628	0.5
369.07047	0.6
427.17041	1.0
444.86508	0.6
459.06131	0.6
487.08469	100.0
487.20020	3.2
488.08679	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	487.2151
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
51.86044	0.4
53.03936	0.5
55.01838	0.4
55.05499	0.9
56.96573	0.5
57.03414	0.5
61.02890	0.4
65.54884	0.5
67.05486	1.5
69.03416	1.1
69.07046	1.5
69.48833	2.2
69.49246	0.9
70.06586	0.8
72.08126	0.5
79.05495	1.1
81.03413	1.2
81.07051	2.3
83.08604	0.6
84.04465	0.7
84.08128	0.8
85.02886	1.5
86.09682	1.1
89.03886	0.5
91.05474	1.5
93.07049	2.7
95.04942	0.8
95.08606	1.8
97.02882	1.6
98.21042	1.5
101.56631	0.4
103.05473	0.4
103.68294	0.4
105.07017	1.3
107.04942	0.6
107.08588	1.1
109.10166	1.5
116.98597	0.5
117.03368	1.1
119.04928	0.6
119.08575	1.6
121.06525	0.7
121.10139	1.5
123.04428	1.3
125.79999	0.4
130.05040	0.4
131.04932	0.5
131.08609	0.6
135.11731	0.7
136.06189	2.2
137.05962	1.3
138.05569	0.5
142.06923	0.5
145.02844	2.4
145.10146	0.5
147.04417	1.3
147.08060	0.4
147.11685	0.5
149.05923	0.5
149.09639	0.6
158.80966	0.3
165.05453	0.6
167.07045	0.5
175.07547	0.4
177.05457	4.1
184.07361	0.4
203.06995	0.6
251.11258	0.6
263.12784	0.5
269.12405	1.1
287.13412	0.5
307.09622	0.5
307.26282	0.6
325.10803	0.5
325.15875	2.2
355.11667	0.9
389.88147	0.4
397.16318	0.4
420.76691	0.4
443.22507	5.4
469.19815	0.5
487.21469	100.0
488.21738	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	486.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01861	2.5
55.05499	3.1
57.03436	7.0
59.05049	1.4
59.89010	1.3
61.02926	6.4
67.05482	5.0
69.03429	13.7
69.07062	2.3
69.77509	1.9
69.77918	6.8
70.06572	4.3
71.01350	1.8
71.04977	3.1
72.08150	2.1
73.02914	6.5
79.05485	2.2
81.03400	5.3
81.07061	6.7
84.04487	4.0
84.08177	1.3
85.02905	100.0
85.06554	1.5
86.09686	5.5
87.04465	2.6
91.03956	6.8
91.05473	3.3
91.88316	1.3
92.05811	1.5
93.07040	3.2
95.01329	21.4
95.08607	3.5
97.02898	26.0
99.00790	2.1
99.04446	4.4
101.02341	2.7
103.03924	3.3
104.10720	3.7
105.07032	2.7
107.08554	2.5
107.47363	1.4
109.02882	7.8
109.10160	1.8
113.02367	3.7
115.73164	1.3
119.04887	1.6
119.08563	3.1
121.10125	2.7
123.11713	1.4
127.03910	26.4
131.03374	2.7
131.08534	1.8
136.06166	4.4
137.05936	2.8
137.09528	1.4
141.01825	59.2
145.04962	47.7
147.04376	2.4
148.04362	1.7
159.02878	10.2
163.06017	18.2
177.03926	4.1
177.05402	2.7
184.07330	2.2
306.24997	2.0
323.25598	1.8
324.26074	9.6
325.35086	1.3
486.21002	1.6
486.26520	2.0
486.32205	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	486.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.8
57.03426	0.6
58.06600	0.5
60.08165	6.1
63.40277	0.3
64.01232	0.3
65.15492	0.3
65.60218	0.3
67.05512	0.5
67.40831	0.3
69.03416	0.5
69.07060	0.4
70.06595	3.1
71.07368	2.7
71.57538	0.7
72.08157	1.8
79.05473	0.6
81.03404	1.0
81.07068	0.4
84.04502	0.6
84.08128	1.4
85.02908	1.0
85.04031	0.4
86.09705	27.9
91.05481	0.7
93.07034	1.0
94.43122	0.3
95.04960	0.6
97.06495	0.3
98.06075	0.4
98.97569	0.7
98.98459	2.3
102.05541	0.7
104.10744	5.1
105.07024	0.5
107.05009	0.3
107.08582	0.4
108.88537	0.4
110.07178	0.6
116.07154	0.3
116.98654	0.7
117.03310	0.4
119.04947	0.5
119.08561	0.6
121.10159	0.5
125.00002	17.8
129.10265	0.7
130.06555	0.8
130.36850	0.3
131.04930	0.5
134.99675	0.7
135.08173	0.5
143.00999	0.3
147.04428	0.8
152.05670	0.3
177.00723	0.8
177.05437	0.9
184.07339	100.0
185.07672	0.7
188.03819	0.6
279.03769	0.4
307.12292	0.6
308.11359	0.5
375.33765	0.4
432.21466	0.7
450.22598	4.3
468.23520	0.5
486.22574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
55.05281	1.5
55.05506	10.8
55.83858	1.2
56.05029	2.6
57.03439	1.8
57.07084	1.8
58.99583	19.7
65.03941	3.0
67.05501	37.6
69.03426	4.4
69.07059	6.8
69.88141	6.7
70.06586	2.3
72.08148	2.0
76.02222	79.8
76.03986	2.2
79.05487	12.6
81.07050	36.2
83.04968	1.4
83.06078	3.0
83.08611	4.3
84.04036	2.2
84.04503	26.0
84.08135	2.1
85.01135	2.9
85.06541	2.5
86.99040	5.1
87.02711	2.0
88.02212	3.0
89.53141	1.2
91.05464	11.8
93.07035	14.2
95.04964	4.4
95.08604	56.8
97.06527	2.5
98.20739	1.3
99.05555	1.5
102.05501	1.5
105.07021	13.4
107.04962	2.2
107.08599	9.0
109.06522	4.3
109.10149	32.8
112.03986	1.1
113.04220	2.8
116.01674	28.3
117.07056	2.5
119.08590	14.4
121.10139	6.7
123.08083	5.9
125.00502	1.2
129.06633	4.1
130.05002	8.4
130.06876	4.6
133.10139	4.6
134.09644	3.2
135.11694	3.0
137.09593	5.4
138.70300	1.3
141.04790	1.4
141.07457	1.4
142.03177	6.2
144.01143	13.4
145.06024	1.6
147.07974	2.0
151.14822	23.3
161.09695	1.7
161.13242	13.1
161.95125	1.4
162.02196	51.9
167.05243	1.5
170.02742	3.7
177.05412	2.3
179.04846	100.0
179.14305	36.8
185.13254	1.7
187.05338	3.5
203.14236	1.7
215.04901	2.6
233.05914	19.5
233.09570	2.6
236.14687	5.9
237.13063	7.1
245.05969	3.1
251.44484	1.2
254.15697	2.0
290.17441	2.8
291.06839	2.4
308.09122	13.1
332.20758	1.4
339.17303	12.1
393.18353	2.5
411.19495	15.5
468.21445	6.1
486.22708	2.7
487.19376	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01876	2.5
55.05513	11.0
56.05035	2.2
57.03428	2.5
57.07068	1.7
57.98805	1.5
58.99589	14.8
65.03904	0.8
67.05505	31.5
69.03419	2.6
69.07069	5.7
70.05552	4.5
70.06598	2.0
71.04984	2.7
72.08174	1.3
73.02924	2.0
74.37178	0.7
76.02229	72.0
76.03998	3.1
79.05495	10.8
80.05008	1.1
81.03413	1.4
81.07059	30.5
83.05006	2.0
83.05687	0.8
83.06099	4.8
83.08614	3.0
84.04504	25.7
84.08163	1.1
85.01108	2.3
85.06525	1.2
86.09718	1.2
86.99061	4.2
87.02681	1.3
88.02217	2.0
91.05482	8.3
91.44859	0.9
93.07045	11.9
95.04996	5.5
95.08609	51.1
97.02924	1.2
97.06523	1.9
98.21464	1.1
99.05560	1.5
105.00083	8.0
105.07028	11.2
107.08588	8.1
108.08156	1.5
108.08945	1.0
109.06535	4.4
109.10154	31.3
111.08082	1.0
112.03973	1.1
113.04266	2.6
116.01681	24.4
116.02499	1.3
117.07008	1.6
119.08591	14.2
121.10138	5.3
123.08097	4.2
126.05519	1.2
129.06531	5.1
130.04990	6.5
130.06903	4.3
130.08632	1.1
131.08548	0.9
133.10146	6.0
134.09682	2.5
135.08058	1.5
135.11694	2.3
137.09636	4.1
139.05804	1.5
141.04791	1.0
141.07318	1.3
142.03233	5.4
143.08554	1.5
144.01143	13.7
145.06139	2.4
147.04440	1.2
147.08063	1.0
151.14824	21.6
161.09673	1.2
161.13245	12.8
162.02203	44.0
170.02724	2.6
176.14258	1.2
178.15918	1.2
179.04858	100.0
179.14319	41.6
181.06123	1.0
187.05376	3.8
203.14377	1.8
211.11633	1.0
216.06905	1.5
219.12099	1.5
233.05925	17.9
233.09666	2.6
236.14673	2.5
237.13092	2.1
240.04964	1.2
245.05972	2.4
248.20308	1.1
254.15744	1.1
266.21301	5.8
291.06445	2.3
308.09073	11.4
310.23743	2.4
339.17349	11.8
393.18475	1.1
411.19482	18.9
412.19955	1.1
423.11517	0.9
442.22519	3.7
468.21356	4.6
486.25388	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	486.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
55.01862	2.2
55.05508	13.9
56.05022	1.6
57.03433	6.2
57.07080	2.2
57.69409	1.4
58.99585	14.9
59.04965	1.3
60.04076	1.4
65.03945	2.0
67.05505	40.9
68.05824	1.5
69.03429	3.7
69.07056	6.2
71.04974	2.2
71.33611	1.7
71.33945	2.3
72.08158	2.3
73.02911	2.9
76.02226	70.6
76.04002	3.5
79.05492	12.2
79.73877	1.2
80.05048	1.9
81.03421	1.6
81.07055	28.2
83.04925	2.8
83.06105	4.3
83.08629	3.5
84.04500	29.0
84.08143	2.3
85.01123	1.5
85.02888	2.8
86.99033	4.1
88.02229	1.4
91.05474	9.2
93.07037	13.3
95.04958	7.0
95.08604	54.7
97.02905	1.7
97.06535	1.9
105.07024	10.3
107.08591	7.8
108.08170	1.5
109.06514	4.7
109.10155	36.7
111.08131	1.5
112.03956	1.9
113.04227	2.8
114.03776	1.9
116.01683	25.3
117.07011	4.3
119.08578	15.1
121.10149	9.5
123.08062	6.8
126.05521	3.2
129.06654	6.2
130.05023	7.2
130.06848	5.2
131.22154	1.6
133.10094	4.0
134.09647	5.2
135.11708	2.1
137.09625	3.2
138.05545	2.4
139.89287	1.4
142.03204	5.5
144.01147	11.9
145.06099	3.6
145.10088	2.1
149.09634	1.7
151.14821	30.0
157.10078	2.9
161.13234	9.3
162.02202	48.3
170.02707	2.8
176.14394	2.9
177.05469	4.0
177.15131	2.2
178.15862	2.3
179.04848	100.0
179.12743	3.1
179.14307	52.3
187.05438	3.2
203.14290	2.6
204.08659	2.0
215.04839	2.2
216.06888	2.6
233.05922	21.6
236.14725	3.5
245.06030	2.4
254.15681	3.4
272.06979	1.5
285.89914	1.3
291.06516	3.5
308.09119	8.8
339.17325	16.2
393.18573	1.7
411.19446	21.3
448.90558	1.7
468.21631	6.5
486.22409	4.5
487.07904	3.6
495.84695	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.3
55.05512	8.3
57.03416	7.1
57.07076	25.6
64.55962	4.2
65.52043	5.4
67.05502	8.3
71.08614	18.3
71.32879	8.7
71.81342	4.7
81.07029	13.8
83.08619	9.5
85.10169	14.3
95.08585	16.5
97.10181	5.5
98.98463	13.7
108.20754	4.8
109.10190	5.9
155.01060	8.0
184.07396	6.4
245.08580	4.6
313.27322	100.0
467.59985	4.6
472.76456	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01870	7.2
55.05507	9.7
57.03432	6.5
57.49366	2.5
60.08159	6.2
61.02926	3.5
63.69636	2.7
67.05508	12.9
68.99818	2.9
69.03435	17.4
69.07069	12.3
70.06584	12.4
71.04986	10.9
71.57647	3.2
71.58108	4.4
72.08137	4.5
73.02914	4.0
79.05501	14.9
81.03421	21.6
81.07049	27.1
83.04984	6.5
83.08638	6.3
84.04500	5.9
84.08127	3.2
85.02901	30.7
85.06535	4.3
86.09701	34.0
87.00842	12.6
87.10027	7.0
91.05489	15.6
93.07043	23.6
95.04977	11.5
95.08610	20.8
97.02866	14.6
97.06548	7.7
98.98481	3.2
99.04459	5.2
104.10759	9.1
104.33542	2.6
105.01864	3.2
105.07030	17.4
107.08582	21.0
109.02880	12.0
109.06512	6.6
109.10159	21.0
111.08112	3.6
114.49371	3.1
117.07031	3.4
119.04960	8.3
119.08578	15.9
121.10139	28.2
123.04418	4.3
123.08082	4.0
123.11725	8.7
125.00005	17.9
125.09650	7.4
125.63542	2.9
127.03902	20.5
127.11259	3.0
129.01839	3.2
131.08571	7.2
133.10127	12.8
135.08110	3.4
135.11720	9.3
136.06169	6.8
137.09634	4.3
139.04016	2.8
139.11235	3.6
145.02817	6.0
145.04964	5.0
145.10156	9.1
147.04422	23.1
147.11736	9.6
149.09734	3.0
149.13292	5.6
159.02948	4.6
159.11749	8.0
161.13283	4.6
163.11215	3.1
165.12831	4.0
173.13271	4.4
175.14830	5.6
177.05522	8.9
184.07332	77.2
185.07724	24.6
191.18077	5.8
195.72466	2.9
201.16438	8.8
219.17435	18.8
235.13550	3.7
237.18604	10.6
296.77643	2.6
323.14688	6.0
360.69073	2.8
383.25900	2.8
406.05643	3.0
441.17368	9.9
485.20074	100.0
486.20795	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	485.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59474	1.0
55.05502	4.5
56.96552	1.2
60.04522	6.9
60.05655	10.4
63.78417	1.1
69.03426	3.5
69.41901	9.4
70.06590	13.2
72.08157	44.1
73.06534	0.9
79.05481	1.3
81.03426	2.0
84.04519	5.0
84.05615	1.4
84.08134	3.3
85.02902	10.5
85.04026	4.4
85.90156	1.0
87.04416	1.6
89.10782	4.1
91.05483	2.5
96.04482	2.2
97.02896	9.7
97.07654	8.9
98.06061	12.5
107.04994	1.6
114.10291	33.3
115.08694	8.2
117.03378	2.6
118.06499	1.7
119.04977	1.8
120.08132	1.3
125.91640	1.0
126.05512	2.5
127.03935	2.9
129.10245	2.1
130.09735	1.4
131.04880	1.2
131.12924	13.2
133.02853	17.7
134.06059	1.7
135.04413	2.3
137.05971	11.0
138.10278	2.3
139.08675	2.9
140.08217	2.4
144.06616	6.3
145.02852	8.9
146.06017	1.8
147.04346	1.8
149.05986	4.6
150.03090	1.6
151.03961	2.9
155.12962	1.9
156.11337	2.3
157.10841	14.4
161.02345	14.3
162.07600	7.1
163.03885	5.7
165.05470	4.9
167.07080	1.7
168.70004	1.0
175.03917	1.7
177.05464	17.8
177.06883	1.5
178.02667	3.0
178.04816	1.7
180.08641	1.7
187.07202	2.0
192.06540	6.2
193.04965	43.6
193.06738	2.2
204.10262	1.2
205.08209	2.0
222.10872	1.8
231.08948	2.5
232.09740	2.4
237.02806	2.1
246.11209	7.9
249.12384	1.5
257.15933	1.6
263.13885	14.3
264.12329	7.7
276.15732	2.0
281.15045	2.9
288.13284	2.8
289.11835	1.8
290.15146	1.4
292.15167	3.0
293.18314	5.8
305.16205	2.0
306.14395	5.8
307.17618	2.9
309.06973	2.4
319.16171	7.4
323.17102	18.5
327.07535	3.7
330.14532	3.1
365.18146	3.6
390.16888	1.7
395.19077	1.8
449.20453	3.3
450.12732	1.2
450.18481	1.4
453.19937	8.6
454.20441	2.4
457.22684	2.3
467.21375	10.0
469.23004	1.5
485.22403	100.0
486.22757	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	485.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.1
53.75477	0.9
55.01874	1.2
55.05497	5.0
56.05019	2.0
56.96544	1.1
60.04532	9.2
60.05648	11.2
61.02942	1.3
69.03423	5.3
69.98177	0.9
70.06593	17.0
71.04998	1.2
71.58034	1.1
72.04486	1.4
72.08154	44.7
73.02911	1.0
73.06511	2.1
73.08479	1.1
74.06069	1.0
81.03405	3.3
83.04982	1.1
84.04502	4.4
84.05595	1.5
84.08133	2.8
85.02899	13.4
85.04006	4.6
86.07179	2.0
86.09693	3.4
87.07959	1.2
89.03883	1.3
89.10789	4.8
91.05481	3.4
93.07050	2.1
95.04971	1.8
96.04492	3.2
97.02892	11.9
97.07652	9.5
98.06052	15.2
99.04420	1.2
102.05550	1.3
105.03372	1.5
107.04963	3.3
108.04477	1.2
109.02869	2.2
109.06490	1.1
110.07143	3.1
111.04442	1.2
114.10287	35.0
115.03933	1.8
115.08686	10.8
117.03329	2.7
119.04964	2.7
119.08588	1.5
121.06477	2.2
121.10219	1.3
122.05972	1.5
125.05954	1.1
126.05493	1.7
127.03913	3.8
131.04883	1.4
131.12914	15.8
133.02840	21.4
133.03807	1.5
134.03595	1.4
134.05997	1.0
135.04401	2.8
136.07544	1.6
137.05974	15.7
138.10298	3.6
139.08662	2.7
140.07175	1.5
140.08168	2.5
144.06567	6.0
145.02831	11.3
145.04974	2.1
147.04408	5.8
149.05980	4.8
151.03906	4.7
151.14114	1.0
155.12949	1.8
156.11325	3.3
157.10849	19.1
159.12468	1.3
161.02347	16.3
162.03127	1.3
162.07590	7.5
163.03874	5.5
163.07491	1.9
165.05447	7.6
166.09737	1.2
167.07005	2.8
175.03922	2.1
177.04048	1.7
177.05476	23.6
178.02621	3.5
179.03438	2.4
180.08702	1.7
183.12276	1.0
187.07184	1.7
192.06531	4.2
193.04948	50.6
199.11978	1.5
201.13254	1.2
204.10097	1.6
205.08252	2.6
215.30437	1.1
222.10820	2.4
231.09029	1.6
231.11259	1.8
232.09659	4.3
246.11116	6.4
257.15887	1.3
263.13870	9.5
264.12289	9.6
276.15710	1.1
281.15070	2.4
288.13452	1.8
289.11826	2.7
290.15033	1.6
291.14505	4.4
292.15118	2.1
293.18213	5.5
305.15958	2.3
306.14410	3.5
307.17670	2.8
319.16135	6.2
323.13431	1.3
323.17081	21.3
330.14581	2.8
333.15930	1.5
365.18268	3.8
390.16437	1.7
449.20053	2.4
450.18701	1.4
453.19733	6.5
454.20758	5.4
457.22751	2.0
467.21323	6.3
468.89615	1.1
469.23083	1.6
485.22391	100.0
486.22928	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	484.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.6
55.64377	0.7
57.07072	16.9
58.06580	1.9
58.33493	0.8
67.05492	3.3
69.07048	2.8
70.06587	13.5
71.08626	7.9
73.02933	1.6
81.07063	2.2
83.08608	1.7
85.10172	3.8
88.07625	21.3
95.08605	3.7
97.10177	1.9
98.21592	2.1
102.09174	14.9
106.08729	0.8
109.10138	1.2
115.36078	1.1
124.94144	0.7
127.17072	0.7
147.85837	0.8
156.34564	0.9
167.33977	0.9
216.08853	0.8
228.23225	48.9
229.81519	1.2
246.24254	5.4
255.23103	4.2
256.26382	2.9
283.26291	49.4
484.47217	100.0
485.47461	3.1
492.92728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	6.4
55.05511	16.7
56.05021	10.1
56.96584	7.0
57.03426	7.8
67.05497	18.2
68.24120	7.0
69.03428	16.8
69.07067	17.5
70.06589	100.0
71.04993	13.5
71.28657	11.3
72.08164	48.6
74.00671	8.1
74.06059	7.8
76.02215	15.1
79.05498	10.6
81.03432	8.3
81.07052	17.2
83.04980	11.4
84.04489	42.6
84.08134	47.5
85.02917	24.9
86.09708	71.5
88.03983	9.4
91.05490	27.9
93.03367	10.0
93.07027	14.5
95.04971	31.9
95.08611	8.7
97.02892	7.2
98.01357	7.0
98.73672	7.7
102.05538	11.4
104.10729	15.7
105.07037	24.0
107.04948	33.6
107.08591	9.8
110.07176	26.8
111.04459	19.4
113.15234	6.8
119.04955	24.2
119.08604	9.1
120.08121	22.2
121.10163	31.8
122.02737	10.6
125.00062	12.2
127.67378	6.7
128.07114	11.3
129.10239	27.5
131.04893	7.8
133.06482	7.5
133.10126	13.2
136.07603	13.1
137.05980	63.0
139.03917	9.6
145.10103	13.9
147.04434	53.8
150.07767	20.6
154.04964	12.4
160.07568	12.7
163.11139	14.1
174.97235	6.5
178.12648	7.2
184.07339	64.6
188.07079	20.7
201.12372	8.5
304.15439	7.6
307.12082	7.4
440.15930	9.3
484.14896	29.0
484.21350	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	484.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
53.14037	2.0
53.41564	2.1
55.01860	9.0
55.05508	2.7
57.03404	3.1
58.99585	1.8
62.32340	2.0
64.87667	2.3
67.05497	13.5
69.03426	16.3
70.02931	2.5
70.06584	2.6
70.61523	5.5
71.04977	1.9
73.02905	19.6
79.05495	18.6
81.03407	5.3
81.07045	13.9
83.04964	2.2
84.04504	2.7
85.02902	16.0
88.03990	40.3
91.04906	2.1
91.05477	47.0
93.07042	81.9
95.04963	6.3
95.08601	35.1
97.02895	8.3
99.02676	2.3
99.04481	3.2
103.62774	1.9
105.04427	2.3
105.07023	15.0
107.04932	4.0
107.08604	29.1
109.02840	3.5
109.06543	3.7
109.10150	9.7
110.07172	2.5
115.03890	2.8
115.05440	2.5
117.07029	10.9
119.08579	100.0
121.06516	2.3
121.10137	25.9
122.02731	25.1
123.04429	2.5
123.08035	3.8
125.04237	4.4
127.03892	2.8
127.05771	7.8
129.07053	4.2
132.01123	2.4
135.08046	28.9
137.09599	12.6
147.08043	49.3
151.05728	4.6
153.09055	11.9
165.09105	61.6
183.10159	23.6
186.42183	2.6
199.07925	11.7
215.07402	1.9
217.08888	19.3
252.25116	1.9
286.11066	3.4
287.09518	11.0
289.61652	2.1
304.12094	91.4
321.14502	2.6
322.14685	4.8
381.25720	2.1
382.12726	3.1
430.15298	2.1
448.16275	7.9
466.17685	3.2
484.22711	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	22.9
55.39537	7.4
57.03415	10.1
57.07042	10.0
67.05495	9.3
69.07059	28.6
69.41350	77.8
71.08648	11.6
78.53441	8.2
80.01167	6.9
81.07060	13.2
83.08619	24.1
97.10147	15.8
98.20807	18.1
98.98476	12.5
155.01009	10.1
180.30125	7.7
206.77660	8.2
311.25818	100.0
410.72830	8.7
412.34473	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	484.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62979	2.6
55.01864	7.5
55.05487	2.3
67.05508	7.0
67.24574	2.1
68.17778	2.5
69.03433	18.8
70.06564	2.5
70.78666	4.3
70.79005	5.9
72.08153	7.0
73.02908	8.4
76.02210	2.7
76.27038	2.5
79.05498	21.0
81.03411	11.2
81.07040	8.2
85.02902	19.1
86.06065	4.7
88.03989	26.9
91.05481	68.0
93.03403	5.5
93.07044	73.2
95.04972	8.3
95.08626	15.7
97.02892	11.0
99.02680	2.9
103.03932	3.0
103.05478	2.7
105.07023	10.9
107.04947	4.8
107.08594	37.2
108.04491	3.0
109.02892	7.0
109.06535	3.9
109.10123	6.8
114.10324	5.2
117.07010	12.7
119.08582	100.0
120.08105	2.9
121.10152	10.1
122.02706	9.8
127.03902	13.8
127.05756	7.6
128.06204	3.3
129.07021	9.5
131.11990	2.6
131.12910	6.5
132.01164	3.6
135.08049	46.4
137.09570	5.8
139.58099	2.3
147.04546	2.7
147.08047	63.2
148.08388	2.6
151.05779	6.7
153.09100	6.2
165.09119	46.0
178.05780	3.2
183.10234	12.3
199.07887	8.7
212.03737	6.2
230.04953	3.0
268.09955	6.5
286.11069	7.2
297.13367	5.3
307.17700	2.9
308.17685	2.6
309.13208	8.7
327.14294	6.7
346.13123	5.8
356.58911	2.8
361.12872	3.0
412.14096	12.1
430.15384	11.6
448.16412	40.0
466.17392	14.9
484.21729	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	483.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
61.02896	0.6
67.05511	0.7
67.73030	0.4
69.03416	1.1
70.06596	0.6
71.03215	0.3
72.23115	0.4
73.02917	2.8
75.04476	1.5
79.05505	0.4
81.07069	0.9
83.04981	0.6
84.04507	3.1
85.02905	1.1
85.04839	0.7
91.05493	0.6
93.07063	0.7
95.08601	0.5
97.02896	1.0
98.21553	1.3
99.08147	0.5
105.06957	0.6
107.08594	0.6
111.04464	0.8
115.03938	0.8
119.08599	0.7
121.10172	0.5
121.50124	0.4
123.04504	0.5
126.05520	2.9
127.05869	0.9
129.05484	0.7
136.06157	0.4
136.18513	0.3
138.05481	1.9
139.05855	1.3
143.08748	0.4
144.06625	0.4
152.06233	0.4
155.78566	0.4
168.06584	0.4
203.05370	0.7
204.08563	1.9
205.09068	1.6
226.08017	0.5
230.36620	0.5
260.96478	0.4
266.67001	0.4
483.22025	100.0
484.22287	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41483	1.5
53.45077	1.6
56.05024	3.5
56.96548	2.0
67.12140	1.7
69.03428	2.0
69.04559	2.9
69.84518	4.0
69.84923	5.9
70.02947	6.8
70.06593	3.1
72.08158	6.6
81.03430	1.6
83.06113	4.0
84.04507	99.7
85.02914	3.9
87.05589	13.5
87.89276	1.9
91.05474	26.3
96.04479	4.7
97.02895	3.3
97.07687	2.0
98.06026	3.1
98.21361	2.4
101.07137	2.6
103.05447	6.5
107.04944	3.3
110.07161	3.0
114.10336	3.7
120.08099	19.2
123.04440	3.6
125.07161	1.6
126.05517	100.0
129.10217	1.9
130.06580	3.4
131.04933	4.8
133.06158	1.9
135.05507	1.9
138.05489	13.9
138.09109	3.6
143.56956	1.6
144.06625	3.2
145.02855	5.2
147.04433	2.6
147.89777	1.6
149.05977	2.9
152.07053	2.0
156.06508	3.5
157.06549	1.8
157.10904	4.1
163.87527	1.6
166.08638	19.4
168.06625	3.6
172.07648	5.8
175.08664	23.0
177.05472	14.4
182.06053	10.0
189.00897	1.6
189.10329	1.6
200.07039	38.3
203.08202	2.0
204.08676	23.5
217.09779	2.1
221.09140	13.1
221.10733	1.4
234.12450	10.6
239.11702	2.3
245.09261	6.1
246.07635	26.1
262.12009	7.7
263.10242	33.4
267.11292	5.4
272.11670	2.3
277.77844	1.7
280.12906	31.5
285.12271	4.9
303.13400	7.4
307.17657	11.1
321.14490	13.5
394.00647	1.8
483.20877	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	483.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02988	1.9
55.05503	3.7
59.04849	2.4
60.05367	1.7
60.05646	25.5
60.80367	0.9
67.28572	1.0
69.03419	1.5
70.06592	2.7
71.14446	1.8
72.08154	50.5
73.06417	2.3
80.41233	1.1
84.04502	1.4
86.07191	9.2
87.07967	14.3
88.03957	1.1
89.03918	1.7
89.10790	1.5
91.05473	3.5
93.07036	3.1
97.07652	9.2
98.06056	12.0
100.08725	4.4
101.09541	1.9
107.08559	1.1
114.10287	53.5
115.08691	8.0
117.03374	7.5
119.04961	1.2
119.06902	2.4
119.08583	4.2
129.11295	1.3
130.12074	2.4
131.12924	100.0
135.04424	1.2
135.08073	1.9
136.07576	1.1
137.05948	1.1
139.43750	1.0
140.08110	1.6
145.02841	34.7
147.04512	1.1
147.08032	2.6
149.05991	4.2
151.07518	2.7
157.10837	26.6
157.12053	2.1
165.09079	2.4
177.05469	88.1
178.05746	1.1
209.82129	1.1
233.22989	1.0
247.14375	6.4
248.12764	5.3
289.16663	3.2
290.15024	6.3
307.17633	56.6
308.18127	3.1
339.36386	1.3
366.34781	1.2
399.18188	1.1
447.97165	1.1
448.16602	1.1
465.20029	3.5
466.17957	1.5
483.13821	2.2
483.20862	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05648	2.0
61.02918	2.9
64.15982	1.7
67.05504	3.2
69.03428	10.3
70.06580	2.5
71.06850	1.5
71.57790	2.9
71.58165	2.5
72.08135	3.9
81.03407	3.3
84.04490	5.5
85.02915	11.3
86.07156	3.4
87.07954	2.9
91.03224	1.6
93.07046	1.5
94.06556	4.6
95.07333	2.1
96.08130	4.2
97.02875	3.8
98.03398	1.7
98.06035	5.1
108.08110	2.9
109.02873	2.8
110.06062	4.0
110.09685	4.0
114.10276	4.5
120.08114	5.5
123.06796	2.1
126.05518	4.1
127.03965	3.3
131.12909	1.8
133.37057	1.5
136.07562	2.5
137.08330	1.6
138.05492	6.8
138.09135	28.2
139.03883	4.8
145.02858	4.8
146.05992	2.2
147.04445	3.1
148.07524	2.4
156.06544	22.4
157.10905	3.7
166.08636	38.4
177.05450	14.3
187.11772	1.9
188.10640	3.3
196.10005	5.2
197.10750	2.7
200.07040	2.4
206.08398	9.2
211.12276	5.2
213.10268	3.5
216.10274	3.2
220.10027	3.2
221.10733	5.1
223.08687	2.1
224.09436	4.5
226.11050	2.4
227.08224	3.0
232.09740	4.2
234.11285	5.4
237.10268	3.1
238.11052	5.1
239.11807	15.2
241.09663	6.0
257.12927	3.3
258.11218	6.0
262.10706	8.3
267.11301	29.2
271.10757	4.4
272.11615	11.6
276.12317	8.9
285.12335	28.2
290.12592	5.0
302.14993	1.8
303.13394	29.7
304.11658	11.8
307.17703	12.4
321.14441	100.0
456.28482	1.6
474.15204	1.9
483.20557	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	482.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12508	1.8
56.62370	1.7
56.96564	9.2
57.03427	4.6
57.62660	1.9
60.04522	2.7
61.02919	3.1
66.87082	1.9
69.03426	7.2
71.01360	1.9
71.54415	1.7
71.57366	4.1
73.02924	13.1
80.41055	2.1
81.03411	3.1
85.02923	6.8
95.18512	1.7
96.04473	5.3
97.02887	12.4
98.54117	1.9
98.97594	8.0
115.03902	2.4
116.98611	9.6
119.01932	3.6
126.05600	1.9
128.98549	3.8
133.03459	2.2
134.99686	11.9
138.05479	3.6
143.01849	2.6
144.06612	4.4
145.03455	3.3
146.99692	2.2
157.03421	3.9
161.03017	3.1
162.07594	7.6
166.03682	1.9
173.02975	3.2
174.97697	4.5
177.01001	6.1
182.55840	5.1
185.02997	3.9
189.01035	4.4
192.98709	11.1
197.03032	2.9
205.00345	2.3
215.02426	3.4
220.06712	6.0
221.05211	2.5
227.02443	2.9
231.01889	5.4
232.96689	9.1
234.99831	7.4
239.57397	22.5
243.01947	3.6
244.06602	3.3
245.03590	3.1
250.97710	19.7
251.97812	2.4
256.96719	9.4
259.00061	6.3
261.00348	2.2
261.03113	6.8
262.03088	2.6
265.77966	2.1
274.97742	63.8
275.06107	3.2
275.97888	3.1
276.98102	3.1
277.00964	14.4
278.01172	2.8
280.96939	3.1
283.00107	12.2
288.97076	4.2
292.98779	17.5
296.89252	2.0
297.99460	3.2
298.97717	38.9
299.97833	2.9
301.01044	30.4
302.01074	4.5
303.00818	4.9
306.98050	2.9
314.98920	2.6
315.05167	2.2
316.98795	100.0
317.99036	7.3
334.99985	6.3
340.00418	2.5
346.10098	3.1
358.99850	8.1
374.97650	4.2
379.07245	5.1
381.01984	2.5
401.01382	3.1
405.01776	2.5
416.99091	9.9
422.98114	5.8
425.01474	2.4
440.98749	53.3
441.03693	7.1
441.98935	4.2
443.02682	12.7
445.01837	3.0
458.99899	98.9
459.99908	9.7
477.01016	2.3
478.13464	2.7
482.01343	9.1
483.01730	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66692	1.7
55.01865	2.4
55.05502	5.9
57.03436	17.3
61.02915	6.8
62.04766	1.7
67.05498	12.1
69.03416	9.5
69.07047	7.5
69.44912	15.8
70.06578	4.2
71.04970	4.4
71.40942	1.5
73.02919	33.2
75.04482	14.7
79.05488	8.5
79.74413	1.4
81.03411	3.6
81.06583	2.4
81.07053	43.2
83.04982	11.9
83.08612	4.9
84.04504	33.9
84.08105	2.1
85.02911	11.9
85.06528	3.8
91.05470	12.6
93.07025	7.7
95.04948	4.8
95.08590	8.7
96.04472	3.8
97.02887	15.8
97.06532	3.2
98.06047	4.4
98.20983	6.7
99.08093	3.4
102.04682	3.0
105.07019	21.2
107.04935	3.3
107.08569	6.6
109.02868	2.4
109.06483	4.9
111.04454	8.3
113.05965	3.6
115.03901	8.2
119.08576	15.4
121.06507	2.1
121.10114	15.2
123.04411	4.3
123.08050	3.1
123.11700	17.4
124.03922	2.5
126.05515	41.0
126.88425	1.8
127.03860	1.9
127.07571	1.9
129.05464	5.3
129.06992	2.0
130.04129	3.5
133.04977	2.9
136.06157	6.6
137.05934	5.1
138.05484	32.4
144.06541	8.1
145.10011	2.4
147.04378	5.4
147.11679	41.2
147.62035	1.7
152.05618	1.9
153.01811	3.1
154.08670	8.2
157.10046	2.2
161.05872	2.0
162.06628	3.6
163.07126	2.7
165.12743	24.2
168.06546	8.9
175.11137	2.6
177.05446	2.0
183.13820	3.5
186.07626	7.6
193.12209	3.1
204.08675	51.9
217.04893	1.9
218.05316	2.2
225.07642	4.2
229.14319	7.3
230.05289	2.9
230.99449	2.2
245.04391	3.5
246.04773	3.9
267.15912	40.7
273.03696	2.4
274.04437	3.7
285.16953	100.0
286.04312	2.5
286.17178	3.1
301.03317	3.0
302.03690	3.7
303.04834	2.6
328.94699	1.8
340.05554	2.7
350.14432	2.9
405.69009	1.9
432.07779	7.3
447.22427	1.9
464.10541	3.6
464.17807	4.9
482.05170	3.1
482.11682	37.0
482.18521	3.0
483.11777	4.1
483.18411	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
53.53696	1.0
54.06555	0.9
55.05504	3.6
57.03439	5.9
59.04989	2.8
60.04523	0.9
64.89949	0.9
67.05489	4.1
69.03080	1.7
69.03427	21.2
69.07058	2.2
69.31873	2.1
69.32281	8.0
70.06585	3.9
71.04994	15.8
72.08146	2.8
73.02897	2.9
73.06544	5.0
73.76730	0.9
75.04483	2.5
79.05484	4.8
81.03424	6.3
81.07058	21.5
83.04982	1.9
83.08594	2.0
84.04492	3.1
84.08146	3.6
85.02908	17.7
86.09706	3.7
87.03995	1.4
87.04469	13.4
91.05466	4.2
93.07044	14.5
95.04949	2.5
95.08586	3.2
97.02891	21.1
97.06543	1.8
99.04456	1.2
103.03911	1.6
105.07031	1.8
107.08594	9.6
109.10150	2.1
110.07184	1.5
111.04464	1.3
111.08102	2.0
115.03928	26.7
119.08576	1.9
120.08096	1.5
121.06421	1.1
121.10120	1.4
121.37788	0.9
126.05517	3.5
127.03938	2.4
129.10226	1.2
133.04007	2.1
133.04962	25.2
135.11694	21.2
136.06151	1.1
137.05984	2.5
138.05539	2.4
145.04964	3.4
147.11682	1.3
153.01878	1.7
153.12744	100.0
154.13132	2.4
191.08174	1.3
193.12267	3.4
204.08667	1.9
211.13321	2.9
226.10367	1.3
241.07074	1.4
259.08151	1.1
260.88168	1.0
267.15866	1.3
277.09146	1.0
285.16980	10.1
295.10281	1.8
301.03387	1.5
301.15805	1.0
302.04190	2.1
303.04459	4.6
304.04614	3.1
305.04987	4.0
317.06369	1.4
318.06940	5.6
319.06992	4.2
320.07361	8.5
326.73724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01950	5.5
52.99306	4.7
53.03939	5.4
54.00797	5.0
55.01871	6.9
61.02922	9.7
65.03955	5.3
67.05494	11.8
69.03439	10.6
70.06582	34.5
71.16973	14.3
72.08140	28.0
73.02910	8.6
77.13522	5.2
79.05478	19.8
80.97015	5.3
81.03418	19.1
81.07044	16.7
83.53132	4.6
84.04507	12.3
84.08137	19.1
85.02895	20.0
86.09700	20.8
88.04029	5.8
91.05480	56.2
93.07037	37.0
95.04969	14.7
95.08582	10.3
97.02890	13.9
103.05466	5.8
105.07027	19.8
107.08598	18.9
109.06518	5.7
110.07206	7.8
111.04420	6.8
119.03419	7.8
119.04934	13.2
119.08575	100.0
120.08090	9.1
121.10149	7.3
127.03918	8.7
129.10303	8.2
131.04930	6.9
134.06038	27.5
135.08078	15.4
135.11699	7.8
136.06212	11.6
137.04472	7.5
137.05968	33.6
137.09613	8.5
138.06329	8.7
147.04388	12.5
147.08038	41.5
153.01819	24.8
153.12778	37.7
154.02205	11.8
165.09111	19.8
170.01453	4.9
176.07054	5.9
184.07399	10.6
193.12186	9.8
204.06671	25.6
204.08426	6.4
206.15417	12.4
267.15994	9.0
283.11871	7.0
285.17032	8.8
319.04453	23.6
320.04770	59.4
373.05118	5.7
420.25247	7.7
439.15637	7.0
483.14670	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01950	5.5
52.99306	4.7
53.03939	5.4
54.00797	5.0
55.01871	6.9
61.02922	9.7
65.03955	5.3
67.05494	11.8
69.03439	10.6
70.06582	34.5
71.16973	14.3
72.08140	28.0
73.02910	8.6
77.13522	5.2
79.05478	19.8
80.97015	5.3
81.03418	19.1
81.07044	16.7
83.53132	4.6
84.04507	12.3
84.08137	19.1
85.02895	20.0
86.09700	20.8
88.04029	5.8
91.05480	56.2
93.07037	37.0
95.04969	14.7
95.08582	10.3
97.02890	13.9
103.05466	5.8
105.07027	19.8
107.08598	18.9
109.06518	5.7
110.07206	7.8
111.04420	6.8
119.03419	7.8
119.04934	13.2
119.08575	100.0
120.08090	9.1
121.10149	7.3
127.03918	8.7
129.10303	8.2
131.04930	6.9
134.06038	27.5
135.08078	15.4
135.11699	7.8
136.06212	11.6
137.04472	7.5
137.05968	33.6
137.09613	8.5
138.06329	8.7
147.04388	12.5
147.08038	41.5
153.01819	24.8
153.12778	37.7
154.02205	11.8
165.09111	19.8
170.01453	4.9
176.07054	5.9
184.07399	10.6
193.12186	9.8
204.06671	25.6
204.08426	6.4
206.15417	12.4
267.15994	9.0
283.11871	7.0
285.17032	8.8
319.04453	23.6
320.04770	59.4
373.05118	5.7
420.25247	7.7
439.15637	7.0
483.14670	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55183	0.7
53.03936	1.4
55.05511	29.2
56.05029	0.9
57.07071	0.8
58.99582	3.1
60.04519	1.5
60.90709	0.8
61.01151	8.4
67.05493	1.3
69.07065	1.3
70.06588	4.6
71.06096	1.1
71.57815	1.1
71.65406	0.8
72.04514	8.0
72.08150	0.9
73.02911	2.1
74.00648	0.9
76.02229	17.5
78.03353	1.1
78.03793	17.2
78.17760	0.8
81.03423	2.0
82.06590	1.0
83.04980	50.2
84.04519	1.7
84.08134	3.2
85.02892	1.7
86.00652	0.7
86.06069	1.8
86.09705	2.8
88.02212	5.3
89.07115	0.8
91.05487	1.0
93.07099	1.0
95.04961	1.8
95.08592	0.9
98.06074	1.4
99.05566	1.3
100.28574	0.8
102.03765	27.6
103.02173	1.6
110.07170	1.6
112.07567	1.5
113.04219	2.1
113.05999	2.4
114.03741	6.6
115.86167	0.8
118.03229	0.9
119.22317	0.7
120.04805	3.6
120.08112	1.2
124.07595	1.8
125.07159	0.8
129.10245	1.1
130.06856	2.6
130.08662	0.9
131.06383	11.2
132.04788	13.7
136.07568	2.5
137.06004	1.2
142.06877	5.9
142.08589	4.9
143.05153	0.8
144.04788	2.1
147.04706	1.0
147.05870	2.0
149.07439	49.4
153.01808	1.1
154.08623	6.5
158.06358	6.9
159.05885	1.2
163.07669	1.1
170.06329	1.4
176.07382	1.3
184.07365	2.7
184.09721	2.4
186.05829	5.0
192.05099	0.9
193.12296	1.0
204.06880	7.7
208.14500	0.9
212.07321	1.7
216.06921	2.3
231.11577	2.5
258.08035	2.0
261.12650	4.3
263.08780	2.2
283.17261	0.9
285.16876	1.1
289.10388	5.3
310.83035	0.9
335.10931	10.3
352.13580	100.0
353.13837	2.7
456.83054	0.8
464.18875	28.9
465.19058	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
55.05508	4.0
57.03154	1.8
57.03435	25.8
61.02923	8.4
69.03426	13.0
69.31091	15.6
71.01360	3.6
71.04998	2.3
72.74168	1.3
73.02917	50.6
75.04483	22.8
80.05024	1.3
81.03415	2.2
83.04983	14.4
84.04504	52.9
85.02901	13.4
85.06515	1.3
89.65289	1.3
93.62731	1.3
96.04491	8.9
97.02886	17.7
98.06065	6.5
98.21501	3.5
99.04443	1.7
103.03985	2.4
109.02892	2.8
111.04450	12.6
113.06015	3.4
115.03926	15.1
126.05520	71.3
129.05473	9.0
131.07076	2.0
133.04984	4.9
138.05502	61.7
144.06535	11.1
147.06529	3.3
168.06573	20.0
186.07620	17.7
204.08676	100.0
205.08939	1.6
225.07567	10.9
269.23026	1.7
336.12946	1.7
350.14493	8.2
368.64853	1.6
482.18820	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	482.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05502	2.0
56.05040	1.8
57.03437	26.3
57.73333	1.1
59.05006	1.3
61.02931	6.8
64.79253	1.0
67.05491	3.3
69.03428	11.0
70.06568	2.0
70.07175	2.6
70.07597	3.8
71.01358	2.5
71.04995	2.2
73.02918	59.1
75.04485	27.0
81.03427	3.2
81.07069	1.2
83.04984	13.0
83.87873	1.2
84.04504	57.3
85.02907	14.1
85.06552	1.3
87.04475	2.2
91.05502	1.8
93.07036	1.6
95.04965	2.3
96.04479	8.0
97.02890	17.1
98.06053	4.9
99.04494	1.2
103.03948	2.0
108.94000	1.1
109.02899	2.3
111.04440	14.3
113.06004	2.7
115.03928	15.3
119.08633	1.1
123.04482	1.2
126.05521	75.1
127.03896	1.7
129.05489	11.4
129.57489	1.1
133.04962	4.4
138.04443	2.6
138.05505	52.3
144.06563	9.0
147.06516	2.8
149.04471	1.8
168.06573	17.7
186.07605	14.5
193.12250	1.4
204.08681	100.0
205.09143	2.3
207.61281	1.3
209.31314	1.4
211.13118	1.7
225.07597	9.8
243.08673	2.2
261.09729	1.3
263.55884	1.1
285.16953	2.7
313.06131	1.1
350.14410	9.0
370.01538	1.5
379.16953	1.1
475.22089	1.2
482.18646	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	482.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95979	1.9
55.01875	4.3
63.59905	1.8
67.05511	2.1
69.03442	4.5
70.06600	5.8
70.20851	1.9
70.21140	9.5
72.08154	1.9
79.05495	3.0
81.03414	2.5
84.08141	2.5
85.02921	2.9
91.05488	3.3
92.89271	2.3
95.04970	4.0
98.21416	2.5
103.05459	2.0
106.82460	1.8
107.04939	2.6
108.04395	2.0
108.49075	1.9
109.02865	5.1
119.04935	3.0
119.08648	2.8
123.04431	100.0
124.04799	2.2
127.03928	4.4
135.04384	4.5
135.07954	2.7
137.02356	6.2
139.03926	10.6
147.04425	9.5
149.02373	8.1
151.03891	7.7
152.40579	1.9
163.03856	11.3
163.07593	2.4
165.01831	23.9
165.05545	4.1
177.01872	10.2
177.05502	9.1
179.03378	9.9
183.02904	35.5
187.03993	2.4
191.03438	11.7
199.09645	2.1
205.01376	3.0
205.05032	11.2
207.02875	8.7
215.03371	3.3
219.02861	2.0
221.04442	6.1
223.02356	22.2
233.04439	16.8
237.03871	3.3
249.04028	8.3
261.03922	11.4
267.04941	10.7
277.03375	7.8
279.05087	5.5
281.04199	2.1
295.04456	12.5
297.06024	17.4
313.05560	74.0
320.08395	2.3
325.05530	3.7
359.07535	4.4
389.95276	2.1
411.07440	2.9
429.08276	5.4
447.09415	13.6
452.31650	2.3
465.10309	5.3
466.80585	2.0
483.16345	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78224	85.8
67.96307	82.1
69.05581	88.7
71.58162	82.5
76.67659	77.6
81.37041	79.1
95.25031	88.1
126.46944	86.2
126.47892	84.9
181.68643	88.5
194.00272	85.8
218.76399	82.3
242.48700	100.0
250.56177	85.3
276.75882	81.2
288.10275	85.9
369.88507	86.4
481.34848	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	0.6
60.05641	0.7
60.79869	0.4
61.02945	0.5
63.02377	0.7
70.06586	3.4
71.31525	1.0
72.08154	19.7
84.04504	1.0
84.08136	1.4
85.02883	0.8
86.09715	0.8
89.03912	8.3
90.79740	0.5
91.05484	1.8
97.02876	0.8
97.07679	1.8
98.06077	0.7
100.41516	0.4
100.55334	0.5
105.03395	0.7
105.85946	0.5
110.07171	0.6
111.62514	0.5
114.10272	3.3
115.08654	0.5
117.03379	26.1
119.04943	1.9
120.08084	0.7
121.06525	0.6
122.05998	0.5
129.10248	0.8
131.12923	1.5
134.03618	1.8
135.04422	2.8
136.07567	1.1
137.06030	0.5
139.03917	0.8
140.08194	2.1
143.03435	0.5
145.02841	71.7
146.03166	1.6
147.04401	3.0
149.05983	9.1
152.08165	1.7
153.01820	2.6
158.06119	0.8
163.03891	1.4
168.07649	0.5
171.04353	0.9
177.05467	100.0
178.05797	2.1
182.09222	1.2
185.05624	0.5
186.05493	0.9
196.07088	0.5
197.10352	0.8
198.08745	7.6
215.11378	2.1
227.11566	0.6
231.06665	0.7
241.09242	1.1
243.06638	0.5
245.04463	0.8
248.12813	0.7
251.11320	0.8
252.09708	0.6
255.06522	1.5
259.05969	4.2
269.12421	1.7
270.10880	3.3
271.06000	1.5
273.07544	1.9
274.86050	0.5
283.06015	3.2
287.13489	19.3
301.06873	1.5
307.17633	10.1
319.04895	2.0
319.08096	45.7
320.08414	2.2
345.15512	2.1
373.15225	2.6
391.16150	9.1
401.18060	0.9
402.16220	0.6
403.16037	1.0
445.17093	2.4
463.18185	24.4
464.18170	0.7
481.13263	1.2
481.19189	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.134
Annotation	Padmatin 3-glucoside
Peak:m/z	Relative Intensity
53.03938	0.3
55.01865	0.2
64.87427	0.2
68.99771	0.4
70.06564	0.4
71.02744	0.7
72.08144	1.4
79.05486	0.5
81.03398	0.2
84.04517	0.5
84.08157	0.4
89.03898	0.6
91.05472	1.2
93.07030	0.4
93.25504	0.3
95.04944	0.4
103.05481	0.4
105.03403	1.5
107.04974	0.5
109.06474	0.3
111.00780	0.5
114.10277	0.5
117.03377	2.2
119.04942	1.7
121.06483	0.4
131.04980	0.2
133.06578	0.2
135.04459	0.5
136.07573	0.3
137.02304	0.4
139.03954	0.2
143.04901	0.3
145.02847	6.2
147.04462	1.3
149.05969	0.9
153.01814	5.0
161.05984	0.4
163.03899	0.2
165.01836	0.6
171.04434	1.3
175.03905	0.3
177.05470	9.4
179.03427	1.2
181.01372	0.4
183.02809	0.3
195.02902	0.9
198.08768	0.3
205.05017	0.5
207.02917	1.0
207.06378	0.2
213.05409	0.4
215.06990	0.2
217.05029	0.5
217.08685	0.5
219.02859	0.3
219.06580	0.2
227.07072	0.6
229.04958	0.8
230.05795	0.4
231.06546	1.3
233.04459	0.6
237.05585	0.2
243.06592	0.7
245.04454	2.1
245.08089	1.0
247.05983	0.4
248.12720	0.2
255.06531	2.0
257.04526	0.4
258.05258	0.3
259.06024	9.7
259.08795	0.5
260.06747	0.7
261.07700	0.4
263.05701	0.2
270.10788	0.4
271.06012	4.9
272.06509	0.4
273.07578	3.7
283.05963	1.9
287.13422	0.9
289.07037	0.4
301.07028	1.7
303.04355	0.4
304.04810	0.4
307.17648	2.4
318.07050	0.3
319.08099	100.0
320.08435	3.3
391.16083	0.5
401.18457	0.3
445.17392	0.3
463.18268	2.1
481.13184	0.9
481.19116	0.7
481.25104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1132
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
51.02388	0.3
53.03951	0.4
55.01868	0.9
55.05507	0.9
56.96554	0.4
57.03419	0.5
60.38781	0.3
65.03939	0.8
67.01879	0.6
67.05495	0.5
68.99792	2.6
69.03426	1.3
70.01367	0.8
70.01776	1.3
73.02935	0.4
79.05494	1.4
81.03421	0.5
81.07039	1.3
84.04498	0.6
84.08126	0.3
85.02901	1.1
86.09717	0.4
89.03906	0.7
91.05476	7.2
92.02625	0.4
93.03410	0.7
93.07018	1.2
94.04173	0.4
95.01330	0.9
95.04966	1.2
95.08620	0.9
97.02887	1.2
102.04679	8.1
103.05450	3.0
105.03391	1.3
105.07038	1.8
107.04932	1.6
107.08587	0.4
109.02892	0.8
109.06503	1.0
109.10170	0.6
110.03645	0.8
111.00780	1.0
111.04437	0.6
115.03945	0.5
115.05432	0.7
117.06997	0.6
118.04159	0.4
119.01330	0.5
119.04937	7.1
119.08545	0.4
121.02856	1.4
121.06503	1.2
121.10150	0.5
122.03639	1.2
123.04423	1.8
124.05215	1.6
125.06023	0.5
127.03944	0.4
130.04147	11.8
130.05113	0.8
131.04924	14.3
132.05707	3.3
133.02859	5.2
133.06487	1.6
133.10202	0.7
135.04408	1.4
136.05206	2.2
136.06192	2.0
137.02338	1.5
137.05971	11.4
145.02846	0.9
145.06459	0.8
145.10104	0.5
146.03639	1.5
147.04407	15.9
148.05200	4.2
149.02393	0.5
149.05981	3.1
150.06761	2.1
151.07555	1.7
153.01826	17.6
155.04898	1.2
157.06535	0.5
159.04372	0.6
161.02333	0.5
161.05995	3.4
162.06757	14.9
163.03896	0.9
163.07544	0.7
165.01855	1.2
165.05658	0.6
165.06982	0.7
167.07069	2.1
169.06459	0.7
171.04416	0.6
173.06001	1.4
175.03941	0.5
176.37361	0.4
176.84389	0.3
177.01900	0.4
177.05577	1.6
177.06941	0.5
179.03412	3.9
180.07860	0.8
181.06474	1.2
181.10010	0.3
183.02975	0.4
183.04465	0.8
185.06039	0.5
187.03949	1.4
189.05490	1.9
191.03397	0.8
193.06496	0.4
195.07970	0.4
197.06009	0.6
199.03975	0.9
201.05432	3.3
203.03340	1.9
205.06448	0.6
209.06030	0.8
210.06764	0.5
211.03859	0.7
213.05518	0.9
217.04955	13.6
219.02921	0.4
221.05969	3.4
223.07579	0.9
225.05562	0.5
228.04222	0.8
229.04958	8.6
230.05681	0.7
231.02858	0.9
232.03812	0.7
233.67195	0.3
237.03033	0.6
237.05501	2.3
238.06310	2.7
239.06827	0.4
241.05148	0.4
245.04446	12.9
246.05309	0.5
249.05521	2.3
250.06250	1.0
251.07024	1.5
253.05003	0.5
255.06519	0.6
257.04453	4.7
258.05133	0.8
263.07077	0.6
265.04904	0.6
266.05673	0.6
269.04385	1.9
271.05905	0.4
273.03922	16.1
274.04672	1.4
277.04987	2.3
279.06482	1.3
283.05994	0.4
284.03516	0.4
285.03906	9.3
286.04688	1.3
287.05609	1.3
291.06412	0.8
299.05798	0.5
300.99973	0.7
301.03430	14.4
302.04169	5.1
303.04913	3.6
305.04510	0.6
305.08087	0.4
311.05347	3.1
313.03467	3.5
322.05008	0.4
327.04962	4.5
329.08090	0.8
332.06894	0.5
339.04990	9.3
343.05237	0.4
357.06009	3.8
361.07114	0.5
375.08664	1.8
385.07117	1.5
387.08743	0.6
389.06519	0.7
402.07352	0.6
403.08191	2.1
413.06625	1.1
419.07590	0.4
431.07602	17.9
432.08041	0.4
451.10254	5.6
463.10312	11.1
463.17157	1.1
481.11298	100.0
482.11578	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1129
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
53.03944	0.6
55.01869	0.7
65.03938	1.2
67.01861	0.5
68.99782	2.1
69.23681	1.1
69.24088	4.2
72.53217	0.5
74.15983	0.5
78.17863	0.4
79.05488	1.1
81.03412	0.6
81.07064	0.4
83.08611	0.5
91.05482	5.5
92.02642	0.5
93.03426	0.5
93.07037	0.6
94.04213	0.6
95.04971	0.8
102.04687	6.4
103.05463	3.2
105.03433	0.7
105.07051	2.4
107.04951	1.0
109.06503	0.9
110.03664	0.7
111.00773	0.5
113.43243	0.4
115.05489	0.5
118.04118	0.5
119.01303	0.5
119.04945	4.2
121.02901	1.3
121.06511	1.2
122.03654	1.2
123.04427	0.7
124.05235	1.1
130.04135	10.9
131.04932	13.1
132.05768	2.8
133.02858	5.0
133.06497	1.7
134.03679	0.6
135.04404	1.9
136.05212	1.8
137.02367	1.2
137.05981	9.3
145.02888	0.5
146.03639	1.3
147.04402	14.1
147.05525	0.9
148.05215	3.7
149.06021	2.8
150.06778	1.6
151.07545	1.4
153.01830	16.3
155.04912	0.9
161.06012	2.6
162.06754	16.4
163.03999	0.5
165.01910	0.8
165.05557	0.4
165.07047	0.6
173.06036	1.0
175.03815	0.8
177.05495	1.2
178.06351	0.5
179.03360	3.7
180.07820	0.9
181.06519	0.9
182.07318	0.7
183.04349	0.9
187.03864	1.1
189.05504	1.7
191.03369	1.1
193.06427	0.5
195.08136	0.5
199.03970	0.9
201.05399	3.1
203.03416	1.6
204.08612	0.5
210.06781	0.9
213.05440	0.5
216.04257	0.5
217.04951	15.4
218.05446	0.5
219.02992	0.6
221.05957	2.5
223.07498	1.2
227.03372	0.6
228.04202	0.7
229.04955	7.3
230.05693	0.8
235.07520	0.5
237.05460	2.1
238.06224	2.3
241.05038	0.8
245.04459	12.8
246.05122	0.6
249.05516	2.7
250.06351	1.2
251.07042	1.5
253.05098	0.5
255.02824	0.4
255.06590	0.6
257.04477	5.0
258.05084	0.8
263.07062	0.8
265.04904	0.8
267.06476	0.6
269.04413	2.0
273.03931	16.6
273.39377	0.4
274.04691	1.3
277.05017	1.6
279.06537	1.1
283.06140	0.8
285.03931	9.5
286.04688	1.2
291.06689	0.8
293.04788	0.5
299.05365	1.1
301.03415	13.9
302.04251	4.6
303.05038	3.3
311.05286	2.9
313.03458	4.5
320.05728	0.5
327.04932	3.8
329.08368	0.8
339.04971	8.6
357.06107	3.9
375.08621	1.6
385.06940	2.4
389.06305	0.6
403.08124	2.8
413.06693	1.2
431.07626	18.1
451.10239	4.2
463.10196	10.6
481.11295	100.0
482.11478	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01869	1.0
55.05503	0.8
65.03931	0.9
67.01862	0.5
67.05482	0.6
68.99797	2.5
69.03430	0.5
70.06590	0.6
70.64416	1.1
73.02896	0.5
77.03941	0.4
79.05490	1.5
81.07039	0.6
84.04502	0.6
85.02915	0.3
85.06546	0.4
89.03931	0.8
91.05486	5.8
92.02634	0.4
93.03407	0.7
93.07034	0.9
94.04182	0.7
95.01315	0.7
95.04971	1.0
95.08620	0.6
99.12161	0.3
100.11251	1.2
102.04684	6.6
103.05475	3.1
105.03379	1.2
105.07034	2.2
106.97485	0.3
107.04954	2.2
107.08559	0.5
109.02870	1.0
109.06545	0.7
109.10129	0.3
110.03646	0.9
111.00794	0.8
111.04432	0.8
115.05453	0.8
117.03391	0.5
117.06980	0.3
118.04185	0.7
119.04935	4.4
121.02853	0.8
121.06490	1.3
121.10204	0.5
122.03625	1.3
123.04449	0.8
124.05209	1.9
127.03981	0.3
129.06940	0.3
130.04152	10.1
130.05104	0.5
131.04939	10.6
132.05711	2.8
133.02859	9.2
133.06476	1.3
133.10072	0.3
134.03618	0.4
135.04419	2.5
136.05215	3.6
136.06154	0.5
137.02356	1.4
137.05981	11.6
138.05515	0.3
139.03947	0.4
143.61847	0.3
145.02873	0.4
145.06479	0.6
146.03647	1.5
147.04417	12.4
147.11679	0.3
148.05197	5.6
148.79893	0.3
149.06010	3.7
150.06790	3.1
151.07536	0.8
152.08302	0.3
153.01833	15.3
154.12280	0.6
155.04875	1.0
156.13873	0.4
157.06470	0.4
159.04459	0.9
160.46414	0.3
161.02324	0.4
161.05984	3.3
162.06760	12.2
163.03934	0.7
163.07486	0.6
165.01817	1.6
165.05470	0.7
165.07025	0.4
166.06277	0.3
171.02896	0.4
171.04405	0.6
173.05959	0.7
175.03889	0.6
177.05489	2.0
177.06810	0.4
179.03403	3.1
179.06960	0.4
180.08022	0.4
181.06503	0.9
182.07225	0.3
182.15364	0.3
183.04399	0.7
185.05986	0.3
187.03946	1.0
189.05516	1.5
191.03387	0.7
193.06407	0.4
195.06281	0.3
197.06010	0.3
199.03918	1.0
201.05478	3.1
203.03433	2.4
205.06616	0.5
209.05981	0.5
210.06862	0.8
210.14922	0.6
211.04008	0.5
213.05470	0.7
215.03421	0.5
217.04974	13.1
218.05664	0.3
219.02940	0.3
221.06001	1.9
223.07634	0.8
228.04205	0.6
228.15927	0.3
229.04962	8.0
230.05792	1.4
231.02959	0.9
232.03651	0.4
237.05470	1.7
238.06268	1.3
241.05032	0.8
243.02902	0.4
243.06544	0.5
245.04453	13.3
246.05029	0.5
249.05550	1.4
250.06276	0.5
251.07150	1.7
253.04951	0.6
255.06546	0.8
257.04419	4.1
258.05243	1.3
263.07050	0.6
265.04977	0.8
269.04477	2.4
271.05756	0.3
273.03928	15.7
274.04642	1.3
277.05008	1.7
279.06546	0.8
281.04477	0.4
281.18811	0.4
283.05896	0.4
284.03006	0.5
285.03958	8.2
285.07016	0.6
286.04843	1.4
287.05362	1.8
299.05542	0.8
301.03455	14.8
302.04156	4.9
303.04974	4.1
305.04449	0.5
305.07932	0.3
311.05469	3.6
313.03400	5.1
327.04984	3.7
329.08112	0.8
339.04974	7.3
356.07065	0.4
357.05978	3.6
375.08701	1.7
385.07227	1.4
389.06259	0.4
391.08011	0.3
402.07339	0.4
403.07959	1.7
405.06598	0.3
407.07498	0.4
413.06708	1.0
419.07413	0.3
425.62839	0.3
431.07614	12.6
448.08047	0.6
451.10330	6.2
452.10855	0.3
463.03491	0.5
463.10239	18.1
481.11316	100.0
481.37732	1.0
482.11600	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
54.24168	0.2
55.01854	0.6
55.05486	0.6
55.09881	0.3
57.03426	0.4
65.03928	1.1
67.01852	1.0
67.05515	0.6
68.99774	2.8
69.03416	1.4
69.07035	0.3
70.06573	0.4
71.58360	0.4
72.08160	0.3
73.02867	0.3
77.03905	0.4
79.05481	1.5
81.03410	0.7
81.07034	1.1
83.08581	0.3
84.04491	0.4
84.08119	0.5
84.71581	0.2
84.95966	0.3
85.02889	0.7
86.09660	0.4
89.03898	0.4
91.05468	6.8
92.02608	0.8
93.03384	0.9
93.07040	1.1
94.04174	0.7
95.01318	1.0
95.04932	1.3
95.08595	0.5
97.02869	1.0
97.06554	0.3
102.04675	7.9
103.05458	3.4
105.03365	0.9
105.07015	2.3
107.04948	2.1
107.08559	0.4
109.02872	1.0
109.06515	0.5
109.10146	0.3
110.03653	0.7
110.13054	0.3
111.00780	1.0
111.04463	0.4
115.05434	1.3
117.03353	0.4
117.06998	0.7
118.04175	0.7
119.01315	0.4
119.04939	5.7
119.08579	0.5
120.08120	0.4
121.02840	1.2
121.06525	1.4
121.10142	0.5
122.03634	1.3
123.04414	1.6
124.05215	1.6
125.05991	0.6
126.05541	0.3
127.03902	0.4
130.04134	14.2
131.04915	15.5
132.05682	3.1
133.02831	5.9
133.06461	1.3
133.10153	0.4
135.04376	1.6
136.05185	2.7
136.06187	0.9
137.02327	1.2
137.05962	12.5
143.04857	0.5
143.08434	0.3
145.02820	0.6
145.06470	0.8
146.03584	1.5
147.04395	17.6
148.05183	4.0
149.05972	3.2
150.06735	1.9
151.03885	0.4
151.07558	1.5
153.01811	18.9
153.52711	0.3
155.04901	0.9
157.06534	0.4
159.04410	0.8
161.02341	0.3
161.05966	3.0
162.06740	18.2
163.03967	0.7
163.07486	0.6
165.01802	1.4
165.05614	0.5
165.06981	1.0
167.07027	1.7
169.06563	0.4
171.02982	0.6
171.04416	0.7
173.05997	1.3
174.24525	0.3
175.03955	0.6
177.01738	0.3
177.05438	1.6
177.06853	0.5
179.03383	3.5
179.07045	0.6
180.07742	0.4
181.01308	0.4
181.06564	1.2
182.07301	0.7
183.02908	0.6
183.04391	0.8
184.05272	0.3
184.07289	0.3
185.05908	0.3
187.03888	1.1
189.05449	2.1
191.03401	0.9
193.01402	0.4
193.06561	0.6
194.07278	0.5
195.08060	0.4
197.06000	0.5
199.03862	1.3
200.04698	0.4
201.05409	3.9
203.03410	2.3
205.06459	0.7
207.07912	0.3
209.05994	1.0
210.06750	0.7
211.03996	0.6
213.05431	1.1
217.04936	16.8
218.05519	0.5
219.03009	0.6
221.05966	3.2
223.07501	1.1
225.05475	0.3
227.03383	0.6
227.06943	0.4
228.04172	0.8
229.04939	9.8
230.05681	1.4
231.02847	0.8
232.03760	0.8
233.06021	0.5
235.07536	0.7
237.03313	0.4
237.05411	2.1
238.06133	2.3
239.03403	0.4
239.07033	0.4
241.04976	0.6
243.03162	0.3
245.04424	13.8
246.05173	0.5
249.05457	2.3
250.06200	1.4
251.07027	1.6
253.04936	0.9
255.06543	0.7
257.04443	4.9
258.05200	1.5
263.06970	0.9
265.04971	1.1
266.05627	0.6
269.04428	2.6
271.05942	0.4
273.03897	19.0
274.04584	1.4
277.04947	2.6
279.06561	1.4
281.04361	0.4
281.08179	0.3
283.05893	0.6
285.03894	10.3
286.04691	1.6
287.05698	1.1
289.08414	0.3
291.06564	1.3
295.06055	0.3
299.05585	0.6
301.03391	14.7
301.08710	0.6
301.21490	0.5
302.04123	5.0
303.04901	4.2
305.04480	0.5
309.04190	0.4
309.07611	0.3
311.05386	3.2
313.03427	4.8
315.06241	0.3
319.06119	0.7
319.09546	0.4
327.04898	3.9
329.08084	0.8
333.07498	0.3
339.04950	9.1
343.04602	0.5
345.06650	0.3
347.09354	0.3
357.06192	3.9
375.08582	1.8
385.07007	2.0
386.07559	0.4
389.06485	0.9
402.07211	0.3
403.08090	2.5
413.06714	1.2
431.07578	20.2
432.08121	0.7
448.07574	0.4
451.10205	4.9
463.10239	11.0
463.16974	0.9
464.10654	0.5
481.11255	100.0
482.11600	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37211	0.5
51.94748	0.5
55.01872	1.1
55.05494	0.6
55.74455	0.5
56.05032	0.7
57.03434	1.2
61.02928	5.7
68.99773	1.0
69.03407	1.1
69.07047	0.6
69.47546	4.1
69.47948	0.8
70.06591	4.4
72.08154	0.9
73.02898	1.4
81.03407	1.3
81.07032	1.0
84.04492	1.0
84.08139	2.0
85.02898	5.3
86.09698	3.2
91.03982	2.5
91.05488	1.4
93.07024	0.9
95.04949	0.5
96.08127	0.8
97.02885	2.6
98.21487	0.8
99.04404	0.9
105.07071	0.6
107.04961	0.7
109.02810	0.6
109.06506	0.7
110.07141	0.7
111.00767	0.7
111.04420	0.6
113.21302	0.5
119.04916	0.6
120.08094	1.3
121.02848	0.9
123.00788	0.6
123.04469	0.6
125.02361	0.6
127.03880	1.2
131.04892	0.6
136.07523	0.6
137.02345	14.2
137.03394	1.2
137.06009	0.7
147.04396	2.2
149.02319	0.6
153.01819	4.7
165.01808	0.7
165.09166	0.5
166.07259	0.8
169.01323	4.3
171.04381	1.3
175.03935	0.9
177.05470	1.0
179.03542	0.5
181.01305	1.7
185.00868	0.7
186.05562	0.5
189.05484	1.4
195.02925	0.6
199.03871	2.0
203.03389	0.6
217.05003	2.6
219.38597	0.6
227.03267	1.4
231.40526	0.6
233.12201	0.5
245.04469	4.2
255.02933	1.0
263.05490	1.0
273.03949	10.6
283.02377	1.0
290.04156	0.5
301.03403	9.9
301.06671	0.6
303.05075	0.9
319.04468	100.0
320.04706	2.6
383.34909	0.5
437.37964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0974
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
51.37211	0.5
51.94748	0.5
55.01872	1.1
55.05494	0.6
55.74455	0.5
56.05032	0.7
57.03434	1.2
61.02928	5.7
68.99773	1.0
69.03407	1.1
69.07047	0.6
69.47546	4.1
69.47948	0.8
70.06591	4.4
72.08154	0.9
73.02898	1.4
81.03407	1.3
81.07032	1.0
84.04492	1.0
84.08139	2.0
85.02898	5.3
86.09698	3.2
91.03982	2.5
91.05488	1.4
93.07024	0.9
95.04949	0.5
96.08127	0.8
97.02885	2.6
98.21487	0.8
99.04404	0.9
105.07071	0.6
107.04961	0.7
109.02810	0.6
109.06506	0.7
110.07141	0.7
111.00767	0.7
111.04420	0.6
113.21302	0.5
119.04916	0.6
120.08094	1.3
121.02848	0.9
123.00788	0.6
123.04469	0.6
125.02361	0.6
127.03880	1.2
131.04892	0.6
136.07523	0.6
137.02345	14.2
137.03394	1.2
137.06009	0.7
147.04396	2.2
149.02319	0.6
153.01819	4.7
165.01808	0.7
165.09166	0.5
166.07259	0.8
169.01323	4.3
171.04381	1.3
175.03935	0.9
177.05470	1.0
179.03542	0.5
181.01305	1.7
185.00868	0.7
186.05562	0.5
189.05484	1.4
195.02925	0.6
199.03871	2.0
203.03389	0.6
217.05003	2.6
219.38597	0.6
227.03267	1.4
231.40526	0.6
233.12201	0.5
245.04469	4.2
255.02933	1.0
263.05490	1.0
273.03949	10.6
283.02377	1.0
290.04156	0.5
301.03403	9.9
301.06671	0.6
303.05075	0.9
319.04468	100.0
320.04706	2.6
383.34909	0.5
437.37964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05512	11.2
57.03437	5.8
57.07080	7.0
67.05505	11.8
69.03461	1.0
69.07069	20.6
69.46125	6.9
71.08625	3.3
71.28548	0.7
73.94916	0.8
78.63863	1.0
79.05500	5.8
79.10777	0.8
81.07062	13.6
83.08627	12.7
83.10925	0.8
85.10194	1.3
86.09691	1.9
91.05493	1.2
93.07043	6.9
95.08607	11.5
97.06522	1.8
97.10188	6.4
98.06064	1.3
98.21453	1.7
107.08566	4.9
109.10178	5.3
111.08064	1.7
111.11744	2.0
120.53265	0.8
121.10161	6.3
123.11740	1.2
125.09666	1.2
135.11726	4.3
149.13274	2.1
169.81842	0.8
169.98703	1.0
180.95932	0.8
184.07483	1.4
199.70354	0.8
247.24179	1.5
279.85825	0.9
308.29492	14.7
339.28940	100.0
340.29285	2.7
341.38013	0.9
394.22696	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	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59697	2.5
55.05509	5.3
57.03426	6.4
61.02924	3.4
67.05482	10.2
69.03413	8.9
69.07066	4.6
70.06580	9.0
71.04989	4.0
71.14968	2.7
71.58599	5.3
72.08169	2.7
79.05495	10.6
81.03394	6.2
81.07050	11.5
83.08595	4.2
84.04510	3.0
84.08146	4.0
84.90491	2.8
85.02899	8.8
86.09671	5.7
86.66769	2.5
87.04491	3.1
91.05460	6.6
93.07040	20.8
95.04955	4.1
95.08602	20.1
97.02868	6.6
97.06552	2.8
99.04383	2.8
104.79993	2.8
107.04906	3.3
107.08603	15.0
109.06518	3.0
109.10129	6.6
117.06997	3.1
119.08549	7.9
121.06499	4.3
121.10146	10.6
125.64092	2.8
127.03891	2.9
133.05019	3.2
135.11684	26.5
136.06219	6.3
136.07507	3.8
137.05952	5.3
145.10091	15.2
151.11172	7.5
163.11162	33.6
181.12225	7.8
227.12747	44.1
254.15390	2.7
283.15399	100.0
303.05011	3.2
318.05957	5.5
368.26553	2.5
445.20422	3.1
480.21634	5.8
481.20642	3.7
484.10666	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	479.3004
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
53.03935	2.9
55.01859	2.6
55.05506	17.6
57.03431	5.6
57.07053	2.5
65.03928	3.5
65.63523	1.0
66.13333	0.9
67.05502	55.4
69.03415	1.7
69.06728	1.7
69.07064	24.7
69.60226	7.1
71.04980	4.7
71.05334	0.9
71.08575	0.9
79.05492	37.6
81.03404	2.8
81.07052	100.0
82.07378	1.2
83.04965	7.7
83.08621	15.1
85.02909	1.6
85.06538	5.9
91.05475	29.4
93.07039	44.2
93.07630	2.6
95.04960	7.9
95.08598	24.7
97.06516	9.7
97.10116	1.2
99.08084	4.0
105.07027	32.7
107.04958	1.2
107.08590	24.0
109.06505	6.8
109.10143	3.2
111.04427	1.9
111.08070	4.4
117.07000	5.4
119.08570	21.0
121.06498	2.4
121.10127	24.9
123.08020	3.2
123.11699	21.5
125.09619	1.3
127.07523	2.8
129.06970	1.7
131.08549	5.6
133.10100	3.9
135.11685	4.6
137.13243	1.4
139.11172	1.2
147.11678	47.1
149.09561	1.0
149.13252	21.0
157.10144	1.7
159.11676	7.1
165.12746	29.6
176.41380	1.0
177.12778	3.0
183.13799	3.4
193.12178	1.7
195.13834	8.7
206.52296	1.0
211.13252	2.3
213.14827	1.4
229.14299	3.3
255.18611	1.0
267.15894	25.8
331.06165	1.0
369.24405	1.3
461.28952	1.4
479.30118	33.4
480.30231	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.5
55.01856	8.8
55.05510	44.4
57.03425	8.9
59.04992	2.7
65.03929	7.8
67.05507	78.1
69.03430	5.7
69.07074	32.0
71.04974	7.0
71.57932	5.2
75.04454	3.9
79.05489	63.9
80.49678	2.9
81.03410	7.2
81.06586	4.1
81.07057	79.6
83.04990	13.9
83.08615	23.7
85.06533	5.1
91.05479	100.0
93.07043	74.9
94.07403	2.4
95.04947	21.5
95.08043	4.6
95.08603	48.2
95.51540	2.3
97.06559	13.4
97.10149	10.0
99.08107	2.9
103.05452	4.0
105.04532	3.4
105.06308	3.4
105.07026	63.5
107.04947	18.7
107.08578	30.2
108.12046	3.5
109.06494	14.3
109.10152	19.7
111.04446	7.4
111.08057	8.0
113.00056	3.8
113.18217	2.6
115.05439	6.4
117.07011	39.3
119.04929	4.9
119.08582	35.3
120.52732	2.7
121.06487	18.5
121.10141	29.7
123.08017	7.9
123.11723	3.5
125.09582	9.3
128.06216	10.8
129.07011	48.7
131.04881	3.5
131.08569	66.9
131.53911	2.8
133.06445	11.8
133.10106	22.8
135.08029	8.7
135.11658	9.5
137.09587	5.6
139.11221	5.2
141.06981	19.5
142.07797	4.4
143.08557	40.5
145.06491	11.4
145.10130	27.4
147.08009	8.0
147.11708	14.7
149.09602	13.1
149.13219	3.4
153.06931	5.6
154.07797	3.4
155.08553	30.1
157.06398	3.4
157.10127	21.7
159.08040	3.7
159.10454	2.7
159.11638	13.4
161.05873	3.8
161.09607	7.1
163.11232	4.8
165.07039	4.8
165.12730	6.8
167.08565	12.6
169.10121	16.7
171.11615	14.1
173.09633	7.0
173.13226	7.2
175.11203	6.2
177.12776	7.3
179.08511	6.6
181.10184	13.2
183.11684	13.0
185.13264	8.8
187.11102	3.7
187.14789	3.3
189.11185	6.9
191.08510	3.0
191.10721	3.1
193.10146	4.9
193.12154	4.4
195.11679	16.6
195.13577	6.0
197.13304	8.1
199.11124	3.8
199.14847	6.5
201.12691	5.4
207.11734	6.0
209.13245	11.5
211.14772	4.0
212.59038	3.0
213.12677	5.9
213.16414	5.1
215.14316	4.4
216.73723	2.7
217.16000	3.8
219.13759	5.7
221.13225	8.1
223.14859	14.6
224.72134	3.2
225.12778	6.6
225.16255	3.2
227.14322	4.0
229.14377	3.3
231.13934	3.5
233.13249	3.3
233.15364	4.7
235.14810	7.9
237.16223	3.9
239.14328	11.3
241.15929	5.4
253.15868	5.5
257.15424	8.6
259.17017	4.7
267.15805	5.1
271.17007	6.6
285.18213	3.3
323.23651	7.4
333.22205	16.5
341.24753	15.4
350.86005	3.3
351.23224	46.7
357.29959	3.0
359.25778	5.2
367.24698	3.3
369.24158	55.1
387.25253	38.8
388.25513	3.9
405.25800	4.0
443.27811	21.8
461.29108	26.0
479.30286	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	15.0
54.14027	3.6
55.01859	9.1
55.05503	52.8
57.03424	13.2
65.03935	6.6
67.05507	73.6
69.03410	5.1
69.07076	30.3
71.04980	6.0
79.05489	85.7
81.03422	8.8
81.07054	94.7
83.04976	15.6
83.08628	35.7
85.02889	6.9
85.06518	8.2
91.05479	100.0
92.05803	5.6
93.07040	96.9
95.04958	14.7
95.08597	51.9
97.06509	15.1
97.10138	8.0
98.21525	10.5
99.04482	4.4
103.05415	5.8
105.07027	77.6
107.04926	13.6
107.08594	32.5
109.06493	13.1
109.10151	13.4
111.04442	6.4
111.08069	11.2
111.97192	4.4
113.00023	4.9
115.05441	7.3
117.07000	53.4
119.08585	50.0
121.06496	14.1
121.10149	38.4
123.08054	7.6
123.11718	8.0
125.09621	7.4
128.06187	17.1
129.07008	74.1
130.07817	4.4
131.04993	4.8
131.08563	89.3
133.06502	10.9
133.10130	20.4
135.08073	5.9
135.11688	9.4
137.09631	6.6
141.06999	32.9
142.07706	7.0
143.08571	43.1
145.06474	16.8
145.10104	38.9
147.08044	11.2
147.11679	13.2
149.09598	18.1
149.13223	6.9
153.06984	9.7
155.08545	43.4
157.10155	32.1
159.08096	7.1
159.11697	16.6
161.09613	5.8
161.13228	7.5
163.11195	10.0
165.07057	6.7
167.08553	15.5
169.10193	24.0
171.08101	5.9
171.11665	14.2
173.09619	5.6
173.13303	8.6
175.11206	6.0
177.12756	6.6
179.08537	10.4
181.10115	15.8
183.11679	17.8
185.13220	14.1
187.14868	5.4
193.10130	7.0
193.12344	5.2
195.11732	14.8
197.13249	13.6
199.11070	5.5
199.14824	5.4
203.14270	4.8
207.11685	11.2
209.13383	9.8
211.11183	4.4
211.14781	10.8
213.12770	4.5
213.16306	5.1
215.14334	6.3
221.13235	17.5
223.14803	17.0
235.14818	10.9
239.14320	10.8
241.15814	4.6
253.15909	9.9
257.15399	7.9
271.16885	8.4
275.16412	5.7
275.19946	4.7
323.23709	16.0
333.22031	21.5
341.24695	17.3
351.23218	62.1
369.24200	44.1
387.25171	22.6
443.28119	21.1
461.12695	4.5
461.28940	30.6
479.29733	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	479.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06064	4.9
55.05502	16.3
56.96561	9.3
57.03439	8.7
57.07062	15.0
57.53845	6.0
61.36052	6.3
67.05508	28.9
69.07053	19.4
70.31782	12.6
71.07378	6.7
71.08643	8.2
73.02901	6.0
79.05486	21.0
81.03378	5.9
81.07062	39.0
83.08604	15.4
86.09711	60.5
87.10043	9.2
90.39093	5.5
91.03960	5.8
91.05482	17.7
92.76139	5.0
93.07044	23.2
95.08613	22.0
97.10188	7.1
98.21453	5.4
98.98468	10.3
104.10716	10.5
105.07020	8.5
107.08585	10.7
109.10150	6.5
119.08597	6.4
121.10147	12.8
125.00028	13.6
131.08624	7.2
135.11708	5.4
147.11703	11.9
149.13217	5.6
163.01500	11.9
178.60265	5.6
184.07310	7.1
216.97896	6.4
224.05528	6.5
267.09055	12.5
297.16647	41.2
308.29468	9.7
339.28934	48.0
340.13373	6.3
393.22443	100.0
405.22815	7.4
479.27908	26.5
479.34207	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	479.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
55.01862	0.6
55.05515	1.6
57.03413	0.4
59.95185	0.3
61.89116	0.3
65.03916	0.5
67.05499	2.5
68.99770	0.6
69.03410	0.8
69.07033	0.9
70.03516	1.4
70.06540	0.4
71.04999	0.4
73.02886	0.5
76.18822	0.3
78.04704	0.4
79.02570	0.4
79.05492	1.9
79.50214	0.3
80.66219	0.3
81.03403	0.8
81.07056	2.9
82.59995	0.3
83.04957	0.7
83.08607	0.3
85.06545	0.5
89.03902	0.4
91.05485	3.1
93.07037	2.5
95.04961	1.6
95.08577	1.0
97.02866	0.5
97.10144	0.7
100.49020	0.3
102.04661	0.9
103.05473	4.8
105.03395	0.4
105.07034	1.7
107.04930	1.1
107.08564	1.0
109.06493	0.6
109.10123	0.3
111.04400	0.5
115.05454	0.4
117.03345	0.4
117.06972	0.6
118.04137	2.9
119.04951	0.8
119.08540	1.2
120.08079	0.3
121.06511	2.4
121.10095	1.0
122.10486	0.4
123.04497	0.5
123.11683	0.4
125.09601	0.5
129.06943	0.5
130.04179	2.0
131.04933	4.3
131.08537	0.9
132.05699	1.5
133.02864	0.8
133.06473	0.7
133.10104	0.5
135.04407	1.0
135.08009	0.4
136.06169	1.0
137.02333	6.5
140.04642	1.0
141.07011	0.5
145.02766	0.3
145.06462	0.7
145.10098	0.4
146.03636	2.6
147.04393	1.2
147.11667	0.9
148.05139	0.8
149.05939	1.2
153.05446	0.5
154.06271	0.5
155.03375	0.8
155.07019	0.3
155.08464	0.3
157.06464	0.9
159.04362	0.4
160.05170	0.7
161.02310	1.2
161.05919	0.9
162.03137	0.7
163.03920	0.8
163.07608	0.4
166.06232	0.6
167.05698	0.4
167.06966	1.7
169.06496	0.4
173.06007	0.8
176.04707	3.3
177.05464	2.4
178.06242	3.1
181.96809	0.3
185.06003	0.7
187.03882	6.7
191.07019	5.6
192.07828	0.9
193.08601	0.3
197.05946	1.0
213.05452	8.1
219.13876	0.3
225.05452	0.9
226.06232	13.2
237.05446	2.3
240.07802	0.4
241.04944	66.7
242.05717	21.7
253.04938	3.0
253.43379	0.4
254.05769	2.0
255.06541	2.6
256.07504	0.4
267.06488	0.7
269.04434	11.7
270.05219	35.1
271.05994	27.5
272.06314	0.7
279.06580	0.6
281.04449	5.1
283.03110	0.4
283.06009	2.5
284.06766	1.5
285.07431	0.4
293.17368	0.4
295.06100	0.4
311.05530	1.9
313.07037	0.4
317.06567	1.2
325.07104	1.5
327.10025	0.5
329.08099	0.3
343.09647	0.9
343.22803	0.5
357.07623	0.8
369.23962	0.7
386.23920	0.5
387.08591	0.7
387.25122	0.5
400.09488	0.9
403.08261	1.1
415.08081	0.5
417.09601	0.5
429.09555	0.4
431.07455	1.9
433.09268	0.4
445.09268	1.0
446.09882	1.0
449.12372	4.2
461.12311	25.6
461.28864	0.7
479.13354	100.0
480.13776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1335
Annotation	Phelligridin F
Peak:m/z	Relative Intensity
52.72916	0.4
55.01851	0.8
55.05482	1.3
64.35158	0.4
65.03934	0.5
67.05511	2.3
68.99784	0.8
69.07060	0.5
69.69733	0.4
70.74276	1.4
79.05515	2.3
81.03410	0.9
81.07068	3.5
83.08553	0.7
91.05468	3.2
93.07012	1.8
95.04942	1.6
97.10135	0.7
102.04671	1.1
103.05465	4.2
105.07011	1.6
106.93126	0.6
107.04948	1.1
107.08586	0.8
109.10122	0.6
110.03641	0.6
115.05457	0.5
117.06947	0.7
118.04169	2.4
119.04916	0.8
119.08531	0.5
121.06503	2.7
121.10159	1.0
125.09599	0.8
125.79920	0.5
129.07048	0.6
130.04115	2.2
131.04922	4.5
132.05652	1.8
133.02858	0.6
133.06422	0.5
135.04341	0.8
137.02330	7.0
140.04689	1.2
143.08498	0.5
145.06465	0.6
146.03644	2.5
147.04387	1.5
147.11649	0.6
148.05159	1.7
149.02301	0.6
149.05965	1.6
154.06241	0.6
155.03362	1.0
157.06407	1.0
160.05190	0.9
161.02281	1.4
161.05905	0.6
162.03145	0.7
165.12794	0.6
166.06233	0.8
167.07025	1.7
173.05925	0.7
176.04681	3.8
177.05482	2.4
178.06230	3.4
181.08669	0.5
185.05978	0.8
187.03903	8.7
191.07025	6.0
192.07799	1.5
193.04930	0.5
197.05986	1.0
213.05441	9.7
225.05440	0.8
226.04115	0.9
226.06247	14.7
237.05478	2.4
241.04945	72.8
242.05714	22.7
242.08270	0.8
243.06187	1.0
246.03499	0.5
253.04868	2.7
254.05742	2.8
255.06464	3.0
267.06653	0.5
269.04453	10.2
270.05225	36.8
271.06009	28.3
281.04517	5.2
283.05884	2.5
284.06824	1.7
285.07855	0.6
311.05515	2.6
325.07086	1.9
327.09924	0.6
343.09763	0.7
347.09073	0.5
371.09073	0.8
387.24734	0.7
390.06799	0.6
400.09567	0.7
403.08170	1.8
415.07666	0.8
431.07590	1.9
446.10034	1.2
449.12344	5.7
461.12329	29.9
462.12466	0.5
479.13361	100.0
480.13657	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	479.1182
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
67.05518	1.4
69.03425	3.4
69.07082	1.6
69.27254	4.6
69.27676	8.6
70.06590	6.8
71.04979	1.2
72.08160	3.1
79.05499	1.5
81.03426	2.6
81.07053	1.2
84.04505	3.0
84.08150	3.7
85.02907	6.8
86.09687	6.3
91.05493	2.4
93.07045	2.8
95.04948	1.7
97.02876	2.8
107.08663	1.5
109.02878	1.6
119.08570	2.4
120.08109	2.6
121.02863	1.1
121.10179	1.8
129.02928	1.6
130.08629	1.5
137.02328	2.6
153.01746	2.1
177.05482	2.5
228.04216	4.0
229.04980	1.7
257.04456	1.4
274.04807	5.1
301.03391	13.7
302.04190	54.0
303.04730	2.1
317.06540	100.0
318.06876	2.1
325.12448	1.4
332.40869	1.3
343.93423	1.3
479.16418	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.91480	0.6
52.57187	0.9
55.01874	0.7
57.03442	0.7
61.02927	1.6
69.03424	2.2
70.06583	2.4
71.58012	0.9
72.08160	1.3
79.05503	1.1
81.03436	0.6
81.07049	0.8
84.04485	0.7
84.08137	2.5
84.21223	0.6
85.02911	5.9
86.09704	1.6
93.07008	1.1
97.02886	2.2
107.61253	0.8
109.02847	0.6
110.03610	1.1
120.08114	1.6
127.03911	0.8
129.10204	0.7
137.02338	1.8
145.05019	0.8
147.04399	0.7
153.01854	2.6
170.06017	0.7
184.07555	0.7
200.04623	0.7
204.04086	1.4
215.74913	0.7
228.04272	3.2
229.05011	2.3
245.04428	1.8
257.04517	1.4
273.03934	2.4
274.04749	4.8
285.04019	2.9
301.03473	12.8
302.04214	49.5
303.04715	1.7
317.06561	100.0
318.06873	2.3
329.06503	1.3
383.08325	0.8
461.19168	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
66.01070	0.2
69.03419	0.2
69.30124	1.7
70.06564	0.2
78.01028	0.2
85.02875	0.4
86.09653	0.2
92.02600	0.2
93.06999	0.2
97.02856	0.2
101.42848	0.1
110.03628	0.7
137.02330	1.5
153.01817	1.3
163.03905	0.2
193.01273	0.4
200.04649	0.7
204.04158	0.5
218.05701	0.2
226.03621	0.1
228.04147	3.0
229.04932	1.1
245.04463	1.0
246.05168	0.3
256.03680	0.7
257.04449	0.9
271.06024	0.2
273.03839	0.9
274.04697	4.7
285.03918	1.0
301.03406	12.3
302.04187	50.8
303.04550	1.1
317.06537	100.0
318.06882	2.0
479.11819	2.4
479.18231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1183
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
55.01842	0.3
57.03420	0.3
57.95078	0.2
61.02902	0.5
66.41273	0.2
69.03416	1.9
71.04971	0.4
71.24854	0.3
73.02872	0.5
81.03392	0.8
81.07051	0.3
85.02441	0.3
85.02901	4.3
87.04446	0.4
91.05479	0.3
94.08588	0.2
97.02881	1.8
99.04437	0.4
103.03914	0.3
109.02866	0.5
109.76624	0.2
110.03629	1.1
115.03860	0.3
116.87025	0.3
119.08555	0.3
127.03911	1.2
137.02298	1.9
140.31592	0.2
141.23589	0.2
145.04941	0.3
153.01802	1.5
176.04631	0.3
193.01375	0.6
200.04689	0.5
204.04138	0.7
208.50523	0.2
217.04884	0.4
218.05734	0.3
228.04149	3.4
229.04929	2.3
245.04430	2.0
246.05278	0.5
256.03671	0.6
257.04428	1.7
273.03882	1.1
274.04706	5.8
285.03809	1.8
301.03406	14.0
302.04187	61.1
303.04587	1.5
308.92712	0.2
315.05130	0.5
316.05838	0.7
317.06534	100.0
318.06860	2.5
347.09229	0.3
359.07611	1.0
479.11829	19.5
480.12387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1183
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03926	0.6
55.01860	0.9
57.03433	0.8
61.02923	3.8
69.03426	2.9
69.25208	6.6
69.43855	0.6
70.06585	1.3
71.05005	0.7
71.38950	0.6
72.08142	1.4
73.02894	1.2
74.91352	0.5
81.03407	1.8
84.04451	0.6
84.08131	0.6
85.02904	8.7
86.09683	1.5
87.62320	0.5
91.03944	1.8
92.02607	1.7
93.03383	1.0
93.58265	0.5
97.02892	3.1
98.21317	2.3
98.57320	0.6
107.04944	14.4
109.02856	0.6
120.08039	0.7
121.02881	1.2
127.03908	2.2
139.03870	1.2
145.04985	1.2
147.04393	0.6
151.03867	0.9
153.01834	8.7
158.53627	0.6
163.03871	0.6
175.60754	0.6
193.05064	0.6
200.04649	0.6
200.69933	0.5
201.05479	0.9
203.03285	0.9
217.04993	2.5
218.05705	0.8
228.04211	1.4
229.04987	4.5
231.02602	0.8
233.04579	0.7
235.06097	0.7
245.04410	2.0
246.05223	1.9
257.04446	2.3
273.03912	2.1
274.04742	4.7
284.03198	0.7
285.03891	6.0
286.04694	0.6
299.05685	0.6
301.06992	0.8
302.04190	13.2
302.07495	0.7
316.59952	0.6
317.06543	100.0
318.06995	2.3
327.08835	0.6
329.10193	1.1
341.10226	1.0
359.07715	0.6
383.11325	1.4
395.11230	0.9
407.11441	0.9
470.96701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1183
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
61.02922	0.3
63.80676	0.2
63.81025	0.2
68.99786	0.3
69.03391	0.2
69.33185	0.2
69.56883	1.7
72.08134	0.2
75.59940	0.2
76.41329	0.2
77.96529	0.2
85.02899	0.4
96.66046	0.2
98.21530	0.3
105.65713	0.2
110.03650	0.8
115.56551	0.2
117.29298	0.2
127.03880	0.2
137.02333	1.6
141.62648	0.2
150.03162	0.4
153.01846	1.6
193.01295	0.4
200.04662	1.0
204.04150	0.7
218.05742	0.3
228.04146	2.9
229.04933	1.4
234.01219	0.3
245.04468	1.6
246.05194	0.3
256.03665	0.5
257.04434	1.7
259.06033	0.2
273.03909	0.7
274.04703	4.6
278.94656	0.3
284.03232	0.2
285.03821	1.2
301.03430	12.3
302.04205	51.6
303.04584	0.7
317.06555	100.0
318.06873	2.0
368.59317	0.2
479.11731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03935	0.6
55.01879	0.8
57.03421	1.3
61.02929	2.4
69.03428	4.0
69.98499	1.7
69.98911	0.9
70.06585	0.6
72.08166	0.9
76.02214	0.5
79.05486	0.6
81.03408	2.0
81.07078	0.4
83.03983	0.4
85.02903	9.9
86.09709	0.8
87.04413	0.5
91.03948	1.0
91.05471	0.5
92.02639	1.0
93.03397	1.3
95.08645	0.5
97.02891	4.1
99.04460	0.8
109.02851	1.6
119.08548	0.7
120.08109	0.6
121.02871	1.2
127.03908	2.0
137.02287	0.5
139.03874	0.7
145.04942	1.1
151.03937	0.6
153.01820	8.8
177.05551	0.4
201.05513	0.9
203.03340	0.9
217.05017	1.3
218.05759	0.6
228.04120	1.2
229.04991	3.5
245.04535	1.9
246.05275	1.7
256.03659	0.6
257.04413	2.9
273.03918	1.9
274.04724	4.7
285.03934	4.6
286.04846	0.5
301.03406	1.3
302.04214	17.1
303.04840	0.6
317.06552	100.0
318.06918	2.6
477.36688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.5
62.06089	1.3
63.60046	0.8
65.70146	0.9
67.05507	8.7
69.07072	6.4
70.30926	2.5
70.31346	1.6
79.05489	1.8
81.07055	6.6
83.08614	2.8
85.05299	1.7
93.06988	1.6
95.08595	4.6
98.06052	11.6
98.98445	2.7
105.07008	1.6
109.10141	1.3
112.07626	2.3
113.17521	0.9
121.10086	1.2
126.09074	1.0
128.03279	0.9
162.13524	1.0
204.23026	0.9
208.17076	0.9
219.19095	0.9
263.49408	0.8
296.87271	0.8
306.27893	100.0
307.28250	5.4
337.27316	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.20328	0.6
53.03941	1.2
55.05267	0.9
55.05513	14.1
55.31257	0.6
57.03189	0.8
57.03438	8.7
57.07069	1.9
57.92358	0.6
67.05504	28.3
67.55466	0.6
68.71999	0.6
69.07069	18.0
69.50306	0.8
69.50698	4.3
79.05499	7.7
81.07056	29.6
83.04996	0.9
83.08195	0.7
83.08623	6.9
85.06538	0.8
91.05469	4.6
93.07056	7.9
94.72179	0.6
95.04955	1.3
95.08609	21.7
97.06522	1.7
97.10186	3.5
98.06030	1.6
105.07019	3.1
107.08604	3.8
109.06416	0.5
109.10153	7.2
111.08097	1.2
111.11726	1.1
113.09646	0.6
119.08572	2.6
121.10141	2.5
123.11700	3.1
124.17650	0.6
133.10127	3.6
135.11674	1.6
137.13306	1.3
147.11679	1.6
149.13239	0.6
161.13225	1.0
163.14842	1.0
175.14734	0.8
176.33121	0.5
189.16376	0.8
245.22719	0.8
263.23840	1.3
303.90201	0.6
306.27930	7.5
337.27362	100.0
338.27698	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	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.87577	1.2
55.05512	14.0
57.03444	6.1
57.07068	2.2
62.06086	34.0
64.08869	1.2
64.43251	1.2
67.05180	2.3
67.05508	34.3
69.07074	15.8
70.38694	2.4
70.39048	3.5
71.08628	1.7
79.05492	9.7
81.06583	2.2
81.07055	34.3
82.07378	1.1
83.04961	1.4
83.08613	8.5
91.05466	6.1
93.07047	11.6
95.07996	1.3
95.08606	23.2
97.06546	2.5
97.10146	4.8
98.06051	2.7
98.81502	1.4
98.98451	11.0
105.07012	5.8
107.08575	4.7
109.10159	7.4
119.08586	2.4
121.10122	4.0
123.11698	3.9
124.01541	2.3
133.10144	4.1
135.11685	3.6
137.13193	1.3
142.02670	1.4
143.01894	1.3
147.11681	3.1
149.13231	1.7
155.01047	5.2
161.13353	1.3
161.27087	1.3
163.11066	1.3
163.14873	1.7
173.02138	2.5
180.14087	1.4
185.71364	1.3
198.05269	2.5
209.92110	1.4
216.06226	2.1
245.22643	1.9
263.23724	6.1
290.68146	1.3
293.92621	1.5
306.27908	15.9
314.36346	1.2
337.27365	100.0
338.27719	4.4
417.23880	1.6
460.28214	2.9
478.29144	3.0
479.30136	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41148	0.7
55.01867	1.2
55.05512	5.5
57.07055	0.9
62.06070	0.9
67.05502	8.3
69.07079	5.9
69.33324	0.8
69.33619	8.4
79.05480	3.3
81.07055	7.5
81.31914	0.8
83.08593	2.3
85.05271	2.2
91.05476	2.7
93.07040	2.4
95.08600	5.2
98.06050	10.5
98.21527	1.5
98.98438	2.7
102.47078	0.7
105.07046	1.7
107.08594	0.8
109.10130	1.2
112.07626	1.3
121.10172	0.8
131.08545	0.8
208.16824	1.1
233.03452	0.7
306.27896	100.0
307.28198	2.7
478.28860	1.1
479.29663	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
57.03433	7.2
59.04992	1.6
61.02922	1.1
62.93057	1.0
63.87359	1.0
65.03940	2.6
65.18094	0.9
67.05505	14.9
68.22583	1.0
69.03429	27.0
70.06590	1.2
70.18117	3.7
73.02917	1.5
79.05476	3.6
79.16790	1.1
81.03426	1.3
81.07008	2.0
83.04970	1.9
84.08137	1.6
85.02901	23.0
87.04468	14.2
90.58276	1.0
91.05460	2.6
93.05776	2.6
95.04952	1.4
96.08117	1.5
97.02888	21.4
99.04407	1.6
100.02192	2.4
101.02405	1.4
103.03886	1.1
105.30293	1.1
106.06551	9.6
108.08113	100.0
110.07102	2.0
111.04411	1.7
115.03936	11.9
118.06557	1.3
123.06801	2.3
124.07607	12.8
125.02345	1.2
127.03938	2.3
128.26144	1.2
133.04959	10.4
134.06009	35.8
136.07574	99.6
137.02380	1.3
137.08305	3.1
138.05511	1.7
145.04951	1.7
149.04390	1.3
152.07062	92.0
153.07449	1.3
154.08607	2.9
164.07158	1.5
166.08638	5.2
171.29408	1.1
173.30078	1.0
184.09692	59.8
196.26633	1.1
203.04921	2.1
296.11337	1.4
314.12299	23.0
316.13712	1.4
346.14960	67.6
428.15494	3.9
446.16388	6.6
460.19000	2.2
478.19174	56.7
479.19452	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11212	0.8
60.04511	0.9
67.04254	5.2
69.03416	1.7
70.06597	1.7
71.58243	1.1
72.08182	1.1
74.00649	1.2
81.03402	1.5
84.08168	1.0
85.02890	3.4
85.04033	1.1
86.09705	1.2
97.02890	1.6
100.02197	100.0
101.41766	0.9
102.05495	1.6
110.06013	1.0
117.35527	1.0
127.03874	1.2
130.05000	0.9
130.06589	1.7
132.08080	1.5
144.71286	1.1
147.04405	3.8
156.62766	1.1
157.04285	4.1
157.29990	1.1
158.02676	3.3
167.08395	1.0
175.05408	2.4
185.03824	1.2
187.08699	1.8
203.04848	64.5
204.60117	1.0
213.06931	9.7
244.10843	1.5
256.77322	1.2
276.10849	1.5
315.15482	1.5
316.09579	17.0
316.13043	0.8
375.12292	2.5
424.49161	1.0
478.14798	7.1
478.22711	2.9
497.41183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03435	5.7
61.02927	8.5
69.03432	13.4
70.31718	6.3
73.02911	6.3
81.03410	5.2
84.04496	1.7
85.02901	100.0
91.03948	6.5
95.01333	24.3
97.02888	30.6
99.00834	2.3
99.04465	2.8
101.02406	2.3
103.03941	5.4
105.07034	11.1
109.02888	7.3
113.02357	5.9
116.86308	1.4
123.00882	2.1
127.03902	27.9
131.03409	3.0
141.01820	75.7
145.04951	60.2
159.02895	11.7
163.06009	30.7
177.03937	4.3
191.64438	1.7
193.82326	1.5
321.08167	2.8
344.65680	1.7
383.45792	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
54.31989	2.5
54.47230	2.0
55.01871	16.5
55.05509	78.1
56.05027	5.4
57.03435	11.3
57.07068	2.1
65.03942	6.2
67.05501	70.8
68.05811	4.9
69.03426	17.4
69.07067	21.5
69.53510	20.0
70.06588	5.7
71.04992	6.7
72.63359	2.2
77.03888	2.5
79.05487	81.9
80.05013	3.6
80.05833	3.7
81.03410	18.5
81.05791	2.7
81.07053	63.2
82.06576	5.5
82.07387	6.2
83.04970	15.4
83.08618	36.0
85.02908	13.4
85.06517	2.6
86.03255	2.7
91.05481	53.3
93.07034	47.5
94.06561	16.6
94.07081	2.5
94.07378	2.0
95.04972	29.6
95.06897	5.4
95.08589	29.0
96.08132	6.3
96.08953	3.6
97.02895	6.6
97.06543	8.6
97.10161	56.5
98.10420	2.7
98.21500	4.3
99.04445	3.6
101.09631	3.1
103.05463	4.0
104.85335	2.4
105.04457	2.2
105.07027	38.2
106.07351	3.7
106.34455	2.3
107.04951	45.6
107.08586	42.8
109.02895	2.9
109.06499	18.9
109.10166	18.9
111.04411	4.4
111.08057	6.7
115.05390	5.2
117.07029	21.3
119.08588	28.8
121.06501	27.3
121.10128	24.0
123.04451	4.0
123.08062	14.4
123.11716	3.5
125.06014	4.7
125.09624	50.2
125.10530	2.6
128.06210	5.2
129.06990	17.5
131.04922	6.8
131.08557	30.4
133.06483	13.0
133.10150	13.0
135.04333	3.6
135.08066	13.5
135.11691	6.3
136.06172	5.0
137.05998	3.8
137.09598	4.3
141.07034	6.6
142.07843	2.4
143.08569	12.7
145.06476	26.2
145.10110	14.0
147.04390	7.8
147.08023	17.3
147.11673	12.7
149.09636	11.9
149.13292	3.6
151.07529	3.7
152.99286	2.3
153.09105	10.5
153.12708	6.3
155.08572	7.6
157.06490	5.0
157.10149	7.3
159.08046	9.0
159.11671	4.9
161.05960	4.5
161.09619	7.8
161.13193	2.9
163.11238	6.0
165.09125	7.1
167.08569	4.1
169.06480	2.4
169.10114	7.7
171.08061	8.0
171.10307	4.3
171.11687	9.3
173.09601	8.0
173.13313	2.9
175.11195	5.5
177.12662	3.4
181.10091	5.4
183.11633	2.9
185.09595	3.0
185.13268	7.0
187.03835	2.9
187.11186	6.2
187.14824	4.2
189.09285	5.0
189.11226	27.2
189.12823	6.7
193.12210	12.2
195.11623	3.8
197.09552	2.5
197.13194	3.7
199.11177	7.1
201.12677	2.2
203.14223	2.7
205.12300	4.9
209.09950	2.3
211.11203	4.8
211.13142	4.1
213.12750	5.7
215.14392	11.7
217.12305	4.5
219.13847	6.0
223.13237	4.6
225.12750	5.6
227.12592	4.4
227.14537	4.5
231.13783	4.7
233.15318	13.2
235.13272	3.0
237.12907	3.2
239.14429	3.3
241.14368	6.3
243.13898	3.9
245.15416	4.8
249.14917	3.4
255.13741	7.0
257.04462	7.6
259.13306	4.1
260.23776	2.9
261.24149	15.0
271.16928	2.9
272.06644	3.0
273.14832	19.1
275.16464	2.8
278.24722	15.0
279.25098	44.9
283.16931	2.8
285.03952	8.8
287.16449	3.5
291.15915	4.6
296.25742	5.8
297.26184	23.8
299.05463	9.6
300.06271	45.0
303.87201	2.4
315.05389	2.5
315.08575	71.8
315.27350	3.7
316.08908	3.6
321.22131	3.3
331.20453	2.9
339.23206	12.3
347.18930	2.5
349.21616	23.4
357.24399	7.7
367.18323	4.9
367.22644	52.9
385.23706	100.0
386.23853	6.5
403.24869	26.7
441.26279	7.1
459.27026	43.3
477.17267	2.3
477.28311	34.5
504.87082	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	477.2845
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
51.50309	2.7
52.79889	3.0
53.03952	9.1
55.01873	15.0
55.05510	38.1
57.03437	12.8
57.07074	3.8
67.05506	68.3
69.03436	22.9
69.07069	19.2
71.04981	7.9
73.02908	5.1
79.05496	70.5
81.03416	52.2
81.07057	86.7
83.04989	39.2
83.08626	25.2
85.02902	13.9
85.06525	4.1
91.05478	95.1
93.07043	100.0
95.04964	32.3
95.08606	31.5
97.02892	10.1
97.06529	9.6
97.10178	15.9
103.03911	3.5
103.05439	7.7
105.07032	60.9
107.04955	16.3
107.08598	34.7
109.06532	12.8
109.10162	17.5
111.04428	16.5
111.08082	6.5
113.06004	5.4
115.05443	8.2
117.07012	34.4
119.08577	71.1
121.06503	20.2
121.10139	47.4
123.04487	3.3
123.08083	7.1
123.11730	17.8
125.09661	13.2
128.06224	10.7
129.05515	6.9
129.07010	38.2
131.04988	3.2
131.08560	40.3
133.06508	11.0
133.10132	19.3
135.08044	13.0
135.11681	6.5
137.09616	6.5
141.07010	10.7
142.07796	10.6
143.08586	27.6
145.06465	15.8
145.10124	26.9
147.08043	24.6
147.11703	39.0
149.05910	5.1
149.09618	18.2
149.13193	3.7
153.06998	7.4
154.07751	5.3
155.08530	27.9
157.06523	7.0
157.10095	27.8
159.08073	12.1
159.11726	13.0
161.09604	8.3
163.07526	3.8
163.11192	10.4
164.75107	3.5
165.07045	6.8
165.09081	8.4
165.12793	12.0
167.08553	9.9
169.10165	21.3
171.08080	10.9
171.11636	16.8
173.09601	10.0
173.13280	11.2
175.11214	11.0
179.08415	3.7
181.10112	14.2
183.08026	4.7
183.11717	17.2
185.09583	8.0
185.13248	8.6
187.11147	8.8
189.11127	5.3
189.12700	4.7
191.10716	3.7
193.12202	13.7
195.08141	4.6
195.11710	7.5
197.09641	7.4
197.13287	9.8
199.11269	7.1
199.14845	5.5
201.12759	4.0
205.12085	3.1
205.16002	3.2
209.09717	7.2
209.13292	5.6
211.11299	7.8
211.14857	4.0
215.14278	7.0
221.13272	3.9
223.11235	5.5
223.14775	5.0
225.12808	6.1
227.12773	12.4
231.13725	4.0
233.15350	10.0
237.12688	4.7
251.14195	3.5
265.14346	6.5
267.16049	12.3
271.20575	4.1
283.16910	4.6
313.21512	6.7
321.22354	4.8
325.21692	7.3
339.23190	11.8
343.22525	4.6
349.21384	14.8
357.23965	8.4
367.22690	29.3
373.23627	5.9
385.23792	31.5
386.24261	4.3
399.25159	3.6
403.24930	12.6
417.26398	7.3
423.25339	5.8
429.26154	8.6
431.27753	3.4
441.26340	36.4
459.27667	47.9
467.34906	3.4
477.22308	4.6
477.28632	91.1
478.28738	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	477.1394
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.43634	0.1
67.05515	0.1
69.03434	0.3
70.06596	0.5
70.83163	0.2
70.83504	0.4
72.08144	0.4
79.05488	0.2
81.03448	0.2
81.07070	0.3
84.08153	0.4
85.02914	0.5
86.09702	0.4
91.05482	0.6
93.07030	0.7
97.02882	0.3
119.04930	0.3
119.08562	0.2
120.08103	0.3
121.10156	0.3
127.03913	0.2
128.28719	0.2
129.23560	0.2
134.44763	0.2
137.05968	0.3
141.06636	0.1
145.02791	0.3
147.04425	0.6
148.05194	0.4
153.01836	0.4
167.02068	0.2
175.03922	0.2
177.05556	0.3
194.77640	0.1
201.05556	0.2
229.04910	2.7
247.75362	0.1
253.05070	0.2
257.04440	5.3
269.04477	0.3
272.06781	12.6
283.06097	0.2
284.03287	0.2
285.03918	1.1
297.03918	0.6
299.05533	1.7
300.06274	42.1
301.06543	0.7
313.06827	0.2
315.08600	100.0
316.08957	1.7
433.20282	0.2
477.13843	0.8
499.71243	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	477.1388
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
52.95472	0.3
56.05033	0.4
59.87175	0.3
67.05509	0.3
69.03455	1.1
70.06594	2.7
71.58034	0.5
72.08171	0.8
73.02948	0.4
81.07059	0.6
83.05004	0.5
84.04534	0.6
84.08143	2.0
85.02910	0.7
86.09711	3.4
88.03996	0.3
88.66998	0.3
91.05500	0.6
93.07076	0.9
95.04979	0.5
97.02912	0.4
98.09731	0.3
101.07155	0.4
107.08613	0.5
110.07175	0.7
119.08579	0.4
120.08125	0.4
121.02851	3.2
121.03553	0.3
121.10184	0.7
125.09628	2.0
129.10284	0.6
129.49455	0.3
131.04906	0.3
135.95103	0.3
137.02357	0.6
137.05960	0.3
140.11449	0.3
145.02840	0.8
149.06007	0.4
160.33496	0.3
177.05487	1.2
183.04611	0.3
187.14429	0.5
199.03651	0.4
201.05440	0.7
206.00401	0.3
207.02963	0.4
211.16937	1.3
215.13890	0.6
229.05016	0.9
257.04453	7.7
263.14230	0.4
272.06830	1.7
284.03204	0.8
285.03934	24.4
286.04300	0.7
299.05463	5.8
300.06271	48.0
301.06491	0.7
315.08600	100.0
316.09000	1.4
329.06522	0.4
407.10806	0.4
476.33035	1.7
477.14349	3.8
477.19501	0.5
477.32788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1028
Annotation	5,7,2'-Trihydroxy-4',5'-methylenedioxyisoflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
55.05495	0.2
57.81193	0.2
66.90466	0.2
67.05491	0.4
68.99442	0.3
68.99790	3.4
70.06570	0.7
70.43852	0.9
72.08138	0.3
79.53873	0.2
81.03388	0.2
81.07051	0.4
82.36716	0.2
84.08129	0.7
85.02894	0.6
85.45993	0.2
86.09715	1.7
91.05479	0.6
93.06992	0.2
95.05007	0.3
97.02854	0.3
98.16150	0.2
107.08627	0.4
111.00801	3.5
115.05491	0.2
119.04977	0.4
119.08570	0.2
121.10124	0.4
125.09641	0.2
127.03911	0.2
131.04913	0.5
137.02353	0.4
137.05908	0.2
147.04399	6.0
149.02373	0.3
149.05969	0.8
153.01819	1.4
155.04970	0.3
159.04404	0.9
161.02333	0.3
161.06091	0.3
167.04970	0.3
171.04337	0.3
173.05988	0.3
175.03903	10.9
177.05479	1.5
183.91541	0.2
185.05995	1.0
189.01834	0.3
189.05424	1.2
203.03386	39.6
204.03752	0.9
213.05481	1.7
217.05011	0.4
225.05664	0.2
231.06525	0.8
241.04909	1.2
245.04515	0.9
259.05981	2.5
269.04471	0.9
287.05423	1.4
297.03967	0.9
297.11191	0.4
315.04962	100.0
316.05301	2.9
477.10187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1026
Annotation	5,7,2'-Trihydroxy-4',5'-methylenedioxyisoflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
53.03927	0.3
54.07203	0.3
55.01843	0.3
55.05482	0.8
57.03395	0.4
57.65650	0.3
67.05480	0.7
68.99483	0.3
68.99784	3.1
69.03402	0.7
70.06577	0.3
70.62061	0.3
70.62423	1.0
72.08107	0.4
73.19501	0.3
74.79752	0.3
79.05485	0.5
81.03403	0.7
81.07024	0.7
85.02866	1.0
91.05469	0.7
93.07034	0.5
97.02876	0.4
97.10139	0.7
105.07055	0.4
107.04906	0.4
107.08592	0.3
109.10162	0.4
111.00172	0.4
111.00802	4.4
119.08527	0.3
125.09589	0.4
129.07016	0.4
131.04880	0.5
137.02330	0.4
147.04398	5.7
149.05998	0.5
153.01811	1.1
157.02873	0.3
159.04393	0.9
161.02373	0.4
162.03096	0.6
175.03896	12.8
177.05487	1.4
185.06046	0.7
186.07143	0.3
189.05386	0.9
199.03894	0.6
203.03381	43.7
204.03696	0.9
213.05453	1.6
217.04915	0.8
231.06453	0.6
241.04971	1.3
245.04460	1.1
259.05930	2.5
269.04465	1.1
287.05484	2.3
301.12231	0.4
315.04962	100.0
316.05331	2.6
328.41687	0.3
385.23758	0.8
459.27402	0.5
470.60590	0.3
477.10281	17.6
478.10623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1028
Annotation	5,7,2'-Trihydroxy-4',5'-methylenedioxyisoflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
52.16230	0.2
63.44722	0.2
67.05478	0.2
68.99792	3.2
69.63914	0.4
69.64312	1.1
79.05502	0.2
83.08076	0.2
85.02890	0.5
91.05468	0.4
97.02907	0.2
98.21421	0.3
111.00806	3.7
119.04917	0.4
121.10126	0.3
128.06345	0.2
129.06949	0.3
131.04895	0.7
138.34129	0.2
147.04407	5.1
149.05966	0.8
153.01799	1.2
155.04941	0.2
157.02985	0.2
157.06499	0.2
159.04404	1.0
161.02316	0.3
162.03062	0.4
162.26741	0.2
175.03906	10.7
177.05464	1.5
183.04424	0.2
185.05971	0.6
189.01875	0.3
189.05434	1.0
195.04514	0.2
199.03893	0.2
201.05414	0.3
203.03387	38.6
204.03784	0.9
213.05359	1.3
217.04922	0.8
221.04495	0.4
231.06520	0.8
238.34091	0.2
241.04959	1.3
245.04478	0.8
251.03354	0.3
259.06009	2.2
269.04498	1.0
287.05502	2.5
315.04968	100.0
316.05264	3.0
477.10309	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
53.67433	0.9
55.01887	1.1
55.05511	7.2
56.05037	5.5
56.42648	0.9
57.03422	2.5
57.07064	1.4
58.02951	1.6
58.06593	1.2
60.04525	1.9
61.02925	1.7
65.03940	1.9
67.05504	22.9
68.05019	2.1
69.03431	7.2
69.07077	6.7
70.06597	10.1
70.09843	4.6
71.04973	1.1
71.75198	0.9
72.04496	1.4
73.02924	1.1
76.58821	0.9
79.05062	1.6
79.05495	20.1
80.05012	4.3
81.03413	4.3
81.05788	1.8
81.07056	23.0
82.06580	14.5
83.08599	4.6
84.08130	1.9
85.02908	14.4
86.06055	2.2
87.04462	1.0
91.05479	14.2
93.05763	1.4
93.07043	14.5
94.06571	37.5
95.04972	2.8
95.07346	2.5
95.08612	15.6
96.08134	14.5
97.02901	4.7
97.10179	1.9
98.06056	1.5
105.07021	8.7
106.06564	3.1
107.07241	0.8
107.08588	10.6
108.08124	5.0
109.10168	8.6
112.07627	1.7
117.06995	2.9
119.08569	7.9
120.08085	1.7
121.06449	1.1
121.10144	10.2
121.40960	0.8
122.09667	3.6
123.11761	1.3
127.03893	2.1
129.06972	0.8
131.08572	5.0
133.10144	6.1
134.09660	2.4
135.11700	5.7
136.11211	2.0
145.04953	1.8
145.10135	3.6
147.11650	3.3
148.11177	1.2
149.13266	2.4
159.11722	1.0
161.13182	2.0
163.14862	1.2
173.13266	2.4
175.14752	1.0
187.44223	1.0
189.16327	1.1
203.17940	1.3
218.79541	0.9
243.21028	2.1
248.23730	2.8
260.23737	29.2
261.22131	2.7
262.25427	1.0
263.06815	1.0
266.24905	4.7
278.24789	100.0
279.25064	3.4
280.26340	2.4
296.25854	49.3
314.26859	5.3
338.27051	1.0
367.22705	1.0
385.23605	2.1
422.28894	2.2
440.30060	3.8
458.31140	14.1
476.32477	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29804	1.4
53.03938	3.8
55.01863	1.6
55.05511	12.1
55.78458	1.3
57.03436	5.8
62.06090	35.0
64.21486	1.7
65.03926	2.0
67.05503	40.1
68.05829	2.1
69.03434	1.6
69.07059	11.4
69.50076	1.4
71.04982	2.3
71.58418	1.5
72.19946	1.5
79.05487	28.0
79.05893	1.1
80.05833	1.9
81.03416	3.9
81.07054	38.0
82.07352	1.5
83.04974	4.5
83.08616	5.5
91.05476	17.8
92.05846	1.9
93.07046	32.2
94.07343	1.6
95.04970	5.5
95.08604	22.6
97.06528	2.3
97.10166	2.9
98.06033	3.9
98.98474	12.1
105.07017	10.2
106.07336	1.7
107.04946	2.0
107.08610	13.6
109.10128	9.3
117.07018	3.8
119.08597	9.7
121.10154	13.3
123.11730	3.1
124.01615	3.2
125.09652	1.4
129.05408	1.7
129.06998	1.8
130.45427	1.3
131.08537	6.9
133.10124	6.6
135.11722	6.6
142.02618	2.0
145.10123	5.0
147.10670	1.7
147.11731	6.2
149.13315	3.0
155.01050	3.6
157.10080	2.1
159.11688	1.9
161.13274	2.5
163.11179	1.8
163.14841	2.3
173.02080	3.1
173.13326	2.2
175.14827	2.1
216.06346	3.4
242.67026	1.4
243.21146	2.8
261.22269	8.1
304.26370	13.9
317.24591	1.5
335.25790	100.0
336.26178	2.6
336.94370	1.8
458.26611	2.0
476.31534	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01622	1.8
53.03942	1.8
55.05515	3.3
57.03443	2.1
61.18131	1.6
67.05512	2.8
68.99783	4.2
69.03425	4.0
69.07069	3.2
69.57076	13.5
69.99577	1.7
70.06583	5.7
72.08140	3.1
79.05479	1.7
81.03408	5.5
81.07046	4.0
83.04962	1.6
84.04510	2.9
84.08134	3.3
85.02889	6.5
86.09713	5.8
87.04449	1.5
91.05483	4.5
93.07061	4.1
95.04937	1.8
95.08598	3.4
97.02878	2.8
105.07036	7.0
107.08596	3.6
109.02892	1.8
111.00832	2.6
119.08576	12.7
120.08132	2.2
121.10156	1.9
133.10133	13.2
145.04932	1.9
147.04413	5.7
147.11670	2.8
159.00304	1.6
175.03909	9.4
175.14813	45.5
175.16283	3.1
176.14964	1.7
177.05476	2.0
189.30217	1.8
203.03378	29.1
213.41100	1.8
217.94711	1.5
287.05551	2.0
315.04980	100.0
365.07706	1.7
476.32443	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	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14440	0.7
53.03942	1.6
55.05512	8.8
57.03439	7.9
59.16758	0.7
65.03961	1.1
67.05506	32.3
69.07074	8.7
69.82428	0.8
70.21014	3.8
70.29671	0.7
78.19186	0.7
79.05495	18.2
79.05962	1.1
79.06450	0.7
81.07055	27.4
83.08619	3.2
91.05482	7.6
93.06484	1.0
93.07049	18.3
95.04959	2.1
95.08604	23.3
97.06467	0.8
97.10176	1.0
98.06052	1.4
105.07047	5.3
107.08595	6.1
109.10152	7.2
117.07036	1.6
119.08587	3.0
121.10137	6.8
123.11698	2.2
131.08562	2.9
133.10118	3.0
135.11684	2.8
145.10144	1.1
147.11661	1.4
149.13217	2.2
159.11685	1.1
160.02936	0.7
163.14806	1.0
173.13295	1.2
180.71255	0.8
185.40164	0.9
192.48135	0.7
199.70863	0.8
201.99788	0.7
247.54941	0.8
263.60480	0.8
280.87750	0.9
292.60715	0.7
304.26392	9.4
335.25800	100.0
336.25955	2.8
374.99344	0.9
476.88705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.7
56.22774	1.4
59.12451	1.4
60.04530	2.3
60.05623	1.5
61.02921	1.6
65.03923	2.6
68.05023	4.3
69.03436	3.8
70.06595	19.6
71.57373	1.8
72.08143	10.6
74.06069	2.5
79.05482	7.0
81.03403	3.3
81.07044	1.7
83.06103	1.7
84.04510	6.3
84.08150	7.3
85.02901	18.2
86.06070	19.9
86.09708	7.1
88.04002	2.1
91.03989	1.8
91.05474	18.3
93.07026	2.0
95.01331	2.3
95.04971	2.9
97.02896	6.8
100.03987	1.8
101.07137	2.1
103.05476	5.4
105.07026	58.2
107.08623	2.6
109.02915	1.7
110.07164	2.4
114.05485	1.6
115.04043	1.4
115.05436	9.6
116.07108	7.4
118.04157	4.2
119.04939	2.0
119.08581	3.6
121.01086	1.4
122.06008	1.5
123.04407	1.7
125.25583	1.4
126.05525	2.7
127.03914	4.2
129.10223	3.1
130.06790	1.6
130.08632	1.5
131.04915	2.9
131.32616	1.7
132.06590	3.2
133.06491	56.0
134.04652	3.6
134.06824	2.2
135.08115	2.1
136.07578	1.6
138.09108	2.0
141.01796	7.8
143.06001	3.4
145.04950	9.6
145.06137	8.4
147.04422	4.6
147.07892	1.4
149.00616	4.7
151.07535	3.5
152.07027	1.4
157.09738	2.7
161.05974	100.0
162.06343	3.5
163.06030	2.2
182.04945	42.8
187.14453	4.1
192.99527	3.1
193.08594	79.2
194.00307	3.3
194.08928	1.6
199.14481	1.7
209.02663	10.2
215.13846	4.2
240.09595	1.4
245.11317	8.6
298.13864	2.5
308.29993	1.5
314.09546	2.9
330.20566	1.7
427.76834	1.8
432.18869	1.5
441.18808	1.6
459.19934	4.5
476.25665	2.0
477.21121	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	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
55.01873	4.5
55.05513	9.6
57.03429	23.6
57.07076	50.3
61.02925	57.0
67.05505	24.5
69.03431	34.3
69.07070	11.3
70.84537	6.4
71.01359	3.7
71.05003	4.0
71.08632	39.2
73.02915	28.8
75.04514	2.0
76.07340	1.8
79.05483	5.6
81.03414	18.3
81.07053	27.6
83.04984	2.9
83.08625	17.7
85.02901	59.4
85.06557	2.2
85.10175	22.1
87.04438	2.4
91.03951	36.2
91.05469	5.9
93.07040	6.5
95.04973	3.7
95.08604	34.9
96.54881	1.8
97.02894	48.1
97.10168	8.6
98.73616	1.8
99.04460	11.0
99.11739	2.6
101.02377	14.2
103.03957	7.1
105.07025	3.6
109.02860	11.1
109.10141	17.0
110.15694	1.8
111.11690	3.1
115.03964	5.7
117.05502	3.3
121.10168	2.5
123.11705	8.9
127.03908	25.2
129.05452	3.6
137.13281	3.9
145.04970	9.4
148.97688	1.7
151.14825	2.1
173.13202	1.9
180.78908	1.8
183.06587	5.9
187.08070	2.0
201.07635	3.0
221.22617	3.6
239.23679	25.7
257.24713	4.8
313.27359	100.0
314.27740	3.4
341.27075	4.2
355.28818	2.2
377.08514	2.1
394.22830	2.4
457.31570	5.5
475.32605	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	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
53.77528	1.3
55.01865	4.1
55.05513	24.7
55.87981	1.7
57.03429	8.3
57.07066	4.8
62.46255	1.5
65.03931	6.1
67.05505	86.8
69.03427	2.6
69.07069	26.5
69.34852	5.6
69.35275	11.0
71.04984	5.8
71.09513	1.4
73.06569	1.8
79.05492	94.5
80.05827	1.8
81.03428	12.0
81.07055	100.0
82.07387	2.0
83.04996	14.9
83.08616	19.4
85.06538	4.9
91.05479	64.6
93.07040	91.8
95.04971	29.9
95.08604	35.8
97.02885	2.4
97.06516	9.1
97.10186	2.9
99.04488	1.9
99.08090	3.6
101.34303	1.5
105.07030	42.9
107.04948	6.7
107.08590	36.8
109.06525	9.4
109.10152	6.0
111.08067	7.8
115.05423	2.0
117.07027	12.2
119.08578	22.1
121.06493	4.4
121.10129	20.7
123.08058	5.7
125.09605	1.8
127.07565	2.0
128.06198	3.3
129.07002	16.8
131.08537	10.7
133.10133	13.2
135.07974	2.3
135.11725	9.2
135.12613	1.5
143.08560	7.0
145.10124	8.4
147.08023	3.2
147.11678	32.5
149.09587	1.8
149.13254	23.7
155.70731	1.5
159.11674	13.6
161.09644	4.7
161.13261	10.3
170.00426	1.6
171.11690	28.0
177.12727	6.2
189.12729	10.5
195.13799	8.2
207.13818	25.6
225.14899	3.3
281.17661	1.5
285.89713	2.0
371.50140	1.7
457.29327	2.0
475.30667	45.1
476.30746	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	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00729	1.4
51.02344	1.6
53.03945	8.7
53.76776	1.4
55.01874	7.3
55.05263	2.3
55.05510	29.8
57.03421	6.0
57.07052	2.7
65.03934	4.8
67.05502	93.5
69.03436	2.2
69.07069	26.2
69.48607	1.5
71.04982	6.6
71.58872	1.6
71.59225	2.3
79.05490	99.6
81.03414	15.6
81.07057	100.0
83.04980	19.9
83.08617	15.6
84.43822	1.5
85.02885	3.5
85.06529	5.4
91.05479	74.1
93.07040	93.4
94.07369	1.6
95.04965	26.6
95.08055	2.7
95.08605	36.7
97.02892	2.7
97.06525	12.6
97.10159	5.0
99.08079	3.4
103.05481	2.3
105.04520	2.6
105.07030	42.2
107.04956	7.0
107.08590	39.9
109.06539	9.2
109.10162	6.2
111.08083	7.1
115.05437	2.1
117.07001	13.6
119.08578	26.6
121.06492	4.6
121.10151	22.8
123.08047	5.4
123.11721	3.2
128.06213	4.1
129.07018	13.1
131.08572	13.5
133.10129	16.7
135.11688	7.5
139.11177	2.2
141.09026	1.8
143.08566	6.7
145.10054	11.3
147.08028	4.7
147.11679	28.0
149.13254	28.2
150.13727	1.5
159.11707	10.4
161.09584	3.7
161.13269	13.8
163.11153	3.4
171.11674	23.3
177.12715	5.7
189.12720	8.6
195.13785	7.6
207.13773	24.3
209.81743	1.7
225.14830	5.0
433.88239	1.7
436.26624	1.6
475.30841	44.9
476.30872	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	475.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.1
55.01854	6.6
55.05513	26.0
57.03426	5.2
57.07058	4.5
61.39965	1.6
62.86396	1.8
65.03931	6.3
67.05501	92.9
69.03430	3.4
69.07067	24.0
71.04981	4.3
71.59428	3.6
71.80402	1.9
79.05487	100.0
80.05822	2.1
81.03411	8.3
81.07050	99.2
83.04971	17.1
83.08623	11.8
85.06561	3.9
91.05476	69.5
91.39899	2.1
93.07037	99.3
95.04966	25.4
95.08602	38.1
97.06529	13.4
97.10224	3.8
98.06042	4.7
103.05403	2.0
105.04519	2.0
105.07031	40.9
106.07376	2.3
107.04958	6.6
107.08583	37.5
109.06493	9.8
109.10148	4.9
111.08083	7.4
112.52721	1.8
116.89436	2.0
117.07022	14.0
119.08573	25.8
121.06503	4.5
121.10136	20.2
123.08067	5.2
123.11675	2.1
125.09549	2.1
128.06227	3.8
129.07011	13.2
131.08571	11.1
133.10097	13.3
135.11638	9.0
137.09554	2.6
143.08554	10.3
145.06549	2.3
145.10112	11.9
147.08031	3.6
147.11674	28.7
149.09599	2.4
149.13243	27.8
159.11684	15.0
161.09627	3.9
161.13252	8.2
165.09221	2.2
171.11681	24.4
177.12761	4.1
179.14174	2.6
189.12706	8.9
195.13770	6.3
207.13789	22.5
212.39084	2.2
225.14854	6.8
239.50453	1.9
243.82500	1.9
281.16904	2.2
303.76755	2.0
304.26300	30.4
451.68863	1.8
475.30600	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.01877	12.2
55.05510	13.4
57.03429	9.0
61.02918	3.6
65.03925	4.4
67.05502	37.9
68.85974	2.1
68.99789	2.8
69.03436	11.1
69.07058	7.5
70.06585	2.4
70.59523	4.8
70.59905	3.9
71.04990	7.6
72.08157	4.9
73.02926	3.2
75.73683	1.9
79.05489	41.2
81.03423	20.0
81.07052	36.6
83.04971	9.4
83.08617	4.2
84.04556	2.0
84.08146	3.2
85.02895	15.0
87.04469	2.4
91.05486	50.0
93.07043	46.3
95.01328	21.2
95.04960	23.3
95.08604	17.6
97.02883	12.0
97.06517	11.1
97.10168	4.7
98.21064	4.8
98.21715	2.0
99.08099	4.1
103.05470	4.1
105.07026	34.5
107.04948	14.8
107.08578	14.0
109.02880	4.8
109.06519	7.0
109.10156	7.4
111.00825	3.1
111.04457	5.6
111.08133	2.7
115.05391	3.9
117.06987	13.6
119.04937	5.9
119.08584	24.8
121.06505	7.4
121.10140	14.3
123.04417	6.5
123.08068	8.2
123.11698	4.3
125.09679	3.8
127.03945	3.0
128.06261	4.4
129.05490	6.5
129.07007	17.3
131.04944	4.3
131.08563	17.3
133.06500	5.8
133.10124	18.2
135.04381	5.4
135.08052	5.4
135.11679	8.5
136.06183	28.7
137.02318	2.9
137.06012	7.0
137.09586	2.7
139.03900	4.0
141.01796	6.0
141.07021	4.7
142.07777	3.4
143.08580	5.4
145.02788	3.0
145.06448	6.3
145.10114	8.4
147.04427	7.6
147.08041	7.3
147.11661	15.5
149.06006	6.0
149.09642	9.3
149.13217	3.4
151.03918	5.8
151.11134	3.1
154.07761	2.9
155.08652	4.2
157.06549	3.8
157.10129	9.0
159.08078	3.6
159.11674	4.6
161.06003	8.3
161.09709	2.9
163.03799	3.0
163.07558	3.8
163.11169	2.8
165.05528	3.2
165.09105	6.2
165.12737	3.1
167.03427	2.6
167.07094	4.3
167.08537	3.4
169.06586	2.2
169.10158	3.1
171.11656	3.0
173.06012	6.0
175.03969	3.8
175.07507	3.7
175.11195	14.8
177.05473	6.4
177.12790	6.0
179.06967	2.5
179.08464	2.6
181.10109	2.8
185.09708	4.3
185.13278	3.8
187.11206	5.1
189.05437	5.4
189.09122	2.3
193.12221	8.4
197.09708	3.5
203.10686	2.9
205.05075	2.3
209.09746	3.0
213.05475	2.3
213.09138	3.4
213.12781	3.1
215.10738	4.0
221.04399	4.2
221.11711	4.9
223.11263	4.0
227.10643	4.6
231.13768	3.6
233.11818	3.9
241.12256	4.5
243.13757	4.0
249.15042	2.9
259.13132	4.7
259.70743	2.3
260.04568	2.4
268.16745	6.8
269.11707	6.1
269.17477	5.9
271.13403	3.0
277.10800	3.7
277.14413	6.1
287.12836	14.1
289.14401	4.9
295.15460	4.2
297.11240	7.1
305.13800	6.3
313.20145	6.1
315.12274	22.9
323.14911	4.3
333.13300	100.0
351.14337	12.7
365.20978	2.4
377.14114	2.1
383.22208	7.8
389.10077	2.2
394.22040	3.2
401.23206	5.3
425.17938	7.2
443.19156	35.2
457.25427	5.9
475.10031	2.5
475.21631	16.5
475.28033	10.6
475.32626	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	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01877	11.6
55.05513	14.2
57.03435	12.9
57.07059	1.9
61.02927	4.1
65.03938	5.0
66.02079	1.7
67.05503	39.6
68.99819	2.2
69.03431	11.8
69.07065	12.1
70.06583	4.5
71.01356	2.9
71.04993	9.8
71.58242	2.4
72.08170	2.6
73.02908	3.8
79.05497	45.3
79.22602	1.7
81.03419	19.7
81.07056	48.5
83.01327	3.0
83.04987	13.5
83.08624	9.5
83.75812	1.7
83.84570	1.6
84.08178	2.1
85.02908	17.8
85.06517	4.3
86.09711	2.0
87.04474	2.9
91.05480	51.4
92.06274	2.2
92.20627	1.8
93.03396	4.5
93.07041	46.4
95.01328	23.2
95.04965	19.9
95.08601	18.5
97.02894	9.0
97.06540	14.9
97.10147	2.3
99.04464	2.6
99.08096	3.6
103.05495	3.9
105.07020	34.5
107.04960	18.7
107.07910	2.7
107.08588	18.0
109.02874	3.8
109.06511	9.6
109.10173	9.2
111.00783	2.0
111.04445	7.1
111.08066	4.9
113.02331	3.2
115.05463	5.4
117.07013	13.8
119.04900	3.5
119.08578	27.7
120.08155	2.5
121.02843	3.8
121.06483	10.4
121.10123	18.6
123.04430	7.3
123.08097	5.4
123.11701	6.2
125.02351	4.0
125.09630	4.7
127.03888	3.2
128.06236	2.1
129.01852	2.4
129.05486	6.6
129.07004	18.5
131.04924	5.0
131.08568	19.5
133.06490	8.5
133.10118	24.1
135.04398	7.3
135.08051	5.7
135.11700	6.8
136.06177	26.2
137.02293	2.6
137.05998	5.8
137.09633	4.4
139.03896	5.0
141.01828	5.7
141.06979	4.1
143.08578	7.5
145.02800	3.1
145.06477	8.2
145.10158	12.3
147.04413	8.9
147.08066	7.9
147.11687	14.5
149.06009	4.2
149.09636	7.8
149.13287	3.2
151.03897	9.0
152.05690	2.6
152.75937	2.1
153.01825	2.1
153.07019	3.3
155.08536	5.4
157.06480	4.4
157.10091	13.7
159.08075	3.9
159.11703	6.0
160.86154	2.0
161.05991	7.0
161.09590	3.1
163.03880	4.4
163.11172	6.3
165.05521	3.9
165.06902	2.5
165.09177	6.8
165.12721	2.8
167.03415	2.5
167.07170	2.5
167.08612	5.7
169.10132	4.0
171.08125	2.1
171.10213	1.9
171.11647	4.2
173.05910	3.2
173.09604	3.4
175.03926	6.0
175.07472	2.8
175.11157	10.6
177.05452	6.9
177.12753	5.9
179.08492	2.5
183.08043	2.2
183.11682	2.7
185.09627	6.2
185.13269	2.8
187.03894	1.9
187.07530	2.5
187.11148	4.1
189.05469	5.0
189.09166	3.1
189.12662	3.0
191.06975	3.3
193.12254	11.2
197.09633	5.3
197.11580	2.0
199.11339	4.7
203.10741	5.7
205.12154	3.3
213.09090	2.4
213.12732	4.0
215.10579	4.7
217.05145	2.2
217.12126	2.6
221.04465	5.5
221.11696	4.4
223.11104	3.0
227.10677	3.5
229.12178	3.3
231.13832	3.2
233.11833	4.6
241.12331	5.1
243.13751	3.6
245.11716	4.0
249.14799	2.5
259.09787	2.8
259.13278	7.1
263.12784	3.4
268.16711	8.0
269.11798	7.9
269.17416	5.3
271.13400	4.7
273.11417	2.1
277.10925	2.0
277.14294	3.6
279.09961	3.3
287.12866	13.1
289.14456	9.2
295.19144	2.4
297.11404	9.1
297.14246	2.2
305.13834	8.4
313.03500	2.4
313.20123	4.5
315.12231	24.3
323.14896	3.8
329.06555	2.9
333.13312	100.0
351.14493	15.2
355.22839	3.1
368.16373	2.0
383.22177	5.9
393.71735	3.0
401.23077	3.4
425.18427	9.2
443.19147	36.5
457.26004	4.6
475.21423	21.4
475.27014	10.7
475.31995	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	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01866	5.1
55.05503	5.3
56.05033	3.1
57.03423	7.5
58.77377	2.1
61.02913	3.7
63.63226	2.0
67.05491	8.3
68.04924	1.9
68.99789	3.7
69.03423	17.1
69.07046	2.5
70.06594	29.2
71.04992	32.7
71.58414	2.6
72.08131	3.2
73.02928	3.1
74.06073	4.8
79.05495	7.9
81.03417	20.2
81.07040	8.8
83.08589	3.5
84.04478	2.2
84.08154	3.8
85.02904	31.9
85.06535	8.9
86.09708	5.2
87.00823	10.2
91.05486	12.0
93.07032	11.1
95.04969	6.5
95.08596	6.7
97.02889	8.1
97.06518	4.1
97.10208	2.8
99.04452	87.3
105.01860	5.8
105.07026	11.5
107.08579	21.4
109.02863	13.5
109.06505	6.6
109.10159	11.3
109.34126	2.1
113.09624	5.6
119.08574	9.6
120.08097	7.0
121.10142	12.9
123.08064	14.6
123.11718	5.6
125.09618	3.5
127.03918	19.4
127.08673	3.9
131.08546	3.6
133.10106	17.9
135.08047	4.1
135.11736	2.2
137.02347	5.8
137.05956	5.6
145.02902	3.1
145.04971	3.2
145.10168	3.7
147.01434	2.3
147.04475	2.8
147.11700	5.3
149.09616	100.0
149.13243	3.1
151.07573	3.3
151.11169	5.9
153.09102	2.4
156.86177	2.1
159.02905	6.2
162.41530	2.1
167.06947	2.9
167.10684	4.0
169.12234	16.3
173.13225	10.0
174.70872	2.1
175.07533	3.2
177.05484	6.3
183.13774	24.3
183.15138	2.5
191.14305	13.5
199.83742	1.8
209.15337	37.6
227.16408	60.6
229.15523	7.8
231.05013	3.0
238.05769	4.8
240.50769	2.5
261.26953	2.1
265.04987	3.3
266.05283	7.5
278.07941	2.8
285.03802	2.7
311.05478	26.3
312.05817	67.9
313.03522	5.1
313.06921	7.1
315.11813	3.3
328.08185	6.0
329.08386	18.7
333.13184	4.4
475.21906	4.2
475.32224	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	475.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73921	5.9
55.05500	10.1
55.61542	5.4
58.25315	5.8
69.80994	41.4
70.06580	36.7
71.01343	6.0
72.08159	14.4
79.05473	8.0
82.06586	13.3
82.12328	6.6
84.04488	7.5
84.08121	11.0
85.02927	12.5
86.09683	21.8
91.05468	35.4
93.07030	18.2
94.07376	6.7
95.04951	7.7
100.07616	6.2
105.07049	7.7
111.09537	6.6
119.04926	26.4
119.08526	8.7
121.10123	15.0
128.07082	9.4
129.10271	7.2
137.05972	8.9
147.04445	29.3
149.09587	9.3
167.07092	10.1
168.07414	8.1
175.03932	47.0
176.75974	6.8
177.05373	8.2
178.05005	9.8
182.83209	6.5
207.06477	100.0
225.07190	9.2
225.42923	6.3
283.72565	6.3
313.03497	8.4
313.06931	87.1
475.16919	12.6
475.24637	11.9
501.78918	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	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24359	2.4
53.03940	6.0
55.01860	7.7
55.05508	5.4
57.03435	4.6
57.07067	3.1
61.02902	3.1
67.05489	9.8
67.29282	2.4
69.03428	23.7
69.07056	7.7
69.62720	2.8
69.79448	13.9
70.06587	12.5
71.04996	30.9
72.08160	5.4
73.02901	5.0
79.05492	11.1
81.03407	18.1
81.07063	12.8
83.04962	6.9
83.08604	6.8
84.04476	6.4
84.08136	6.1
85.02906	41.7
85.06550	17.6
85.06990	4.2
86.09703	13.4
87.00833	11.5
91.05470	9.4
93.07029	16.8
95.04976	5.7
95.08618	16.3
97.02885	12.4
99.04455	100.0
99.08091	8.8
105.01853	9.1
105.07062	13.2
107.08591	38.1
109.02936	14.0
109.06513	9.4
109.10148	16.0
110.07214	3.5
111.08064	3.2
113.09612	7.3
117.01843	4.2
119.08552	6.6
120.08121	5.4
121.06511	6.7
121.10136	25.9
123.08074	20.9
123.11674	11.2
125.09618	12.8
127.03899	21.2
127.67515	3.5
129.10231	4.3
131.08546	9.4
133.10094	22.3
135.08038	8.3
136.06172	6.0
137.05951	4.2
139.11218	4.2
145.04959	9.1
145.10091	5.0
147.04396	4.3
147.11691	6.4
149.09612	36.0
149.13229	11.6
151.11171	14.0
153.01772	3.3
153.09148	2.8
158.11028	2.7
159.02948	4.2
163.07530	3.8
163.14818	10.8
165.09172	3.3
165.12753	2.8
167.07045	4.4
167.10666	3.2
169.12193	14.9
173.13309	17.3
183.13789	30.1
191.14273	28.6
197.08382	3.0
209.15363	52.2
227.16418	81.5
228.16866	2.8
231.04958	2.9
313.03287	3.6
342.58215	2.9
372.01660	3.9
427.83392	2.8
456.56985	2.8
470.42264	2.8
475.26172	5.1
475.32544	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
55.05520	4.0
56.05032	5.7
57.03437	25.4
58.07001	2.4
60.04529	2.5
61.02913	7.2
69.03431	25.2
70.06595	34.4
71.04990	3.0
71.58228	4.4
72.08154	50.0
73.02915	45.0
74.06081	3.0
78.61070	3.0
79.05518	2.5
81.03407	3.9
81.07059	2.9
82.06593	2.4
84.04516	19.4
84.08146	22.7
85.02901	31.1
86.09707	39.3
86.97152	2.5
88.03996	3.6
91.05480	7.7
93.50048	2.8
97.02886	36.7
98.06078	2.8
99.08094	10.7
102.05538	3.8
109.02895	4.5
109.06518	5.3
110.07186	3.9
113.20832	2.8
115.03938	25.0
115.08768	2.3
116.07071	2.7
117.09132	100.0
127.03913	10.8
127.07587	5.7
129.06526	2.7
129.10268	15.9
130.05000	6.7
131.08183	3.0
133.04974	7.6
133.06000	3.1
136.07619	6.7
142.08594	3.0
145.05009	7.0
147.04445	6.2
147.07675	8.2
152.07077	3.2
153.05330	2.6
163.09673	28.8
171.11385	3.9
175.03806	2.6
183.11467	4.7
187.10783	3.2
197.12924	4.5
201.12242	3.6
215.10274	4.2
229.11757	3.3
241.07083	3.8
241.10638	9.5
241.12888	2.7
259.08072	2.6
281.36459	2.7
345.13214	6.9
474.23807	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	474.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01860	2.6
55.05508	10.1
57.03435	9.4
57.07053	1.4
62.06081	0.9
65.03928	1.9
67.05499	22.0
69.03422	1.4
69.07061	10.6
71.04994	1.8
71.58311	1.0
71.58708	1.1
79.05491	29.9
81.03400	1.5
81.07055	19.0
83.04961	3.2
83.08613	3.1
85.02907	1.2
85.06528	1.0
89.26612	0.8
91.04893	1.1
91.05479	28.8
93.07043	34.4
95.04974	4.9
95.08605	15.1
97.02834	0.8
97.06521	1.6
97.10174	1.2
98.06048	1.0
98.98465	0.9
103.05471	1.3
105.04518	0.7
105.07030	26.8
107.04931	1.3
107.08597	16.3
109.06477	1.6
109.10166	4.4
111.04446	1.0
115.05444	1.5
117.07014	7.1
119.07795	1.3
119.08580	17.9
121.06506	1.1
121.10144	11.8
123.11712	0.8
129.07007	2.9
131.08572	7.4
133.10114	12.2
135.08131	0.8
135.11699	6.1
137.09656	0.8
139.11133	0.7
143.08582	2.4
145.10115	6.3
147.08069	1.3
147.11673	6.1
149.09633	1.9
149.13240	2.5
157.10112	2.6
159.11717	4.1
161.13252	3.6
163.14752	0.9
171.11682	2.9
173.13255	3.1
175.14824	1.3
185.13252	2.3
199.14810	1.6
216.06331	1.2
241.19530	2.7
259.20563	4.7
275.19882	0.8
277.21674	0.8
302.24747	3.9
315.23203	2.3
319.79935	0.9
333.24225	100.0
334.24536	2.6
347.13736	0.7
474.89813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.3
57.52977	0.3
57.79299	0.3
70.02700	0.9
70.03112	0.9
72.08157	0.5
76.16920	0.3
86.09697	0.4
86.38238	0.3
95.04922	0.4
95.06084	0.7
96.04472	0.5
104.04991	0.5
105.03408	0.6
105.05767	0.9
106.06551	0.5
111.05557	5.0
117.26171	0.3
119.78685	0.3
120.04466	3.6
123.05532	1.1
124.05054	0.5
125.05872	0.5
126.06633	2.4
132.04451	26.9
133.05283	0.3
134.06012	6.0
137.04684	2.6
146.02390	0.4
151.06145	12.8
158.06013	0.5
180.08835	0.5
194.06743	5.6
195.07439	0.9
202.09758	2.3
208.08438	0.6
215.07977	0.4
216.11288	0.8
217.35632	0.3
218.06654	0.4
230.09277	1.4
232.10762	0.7
242.09239	5.6
242.11549	0.6
246.34653	0.3
252.08853	0.4
255.08694	0.6
257.10345	5.5
258.08801	0.4
259.11902	11.4
259.14655	0.7
267.52719	0.4
284.11453	3.8
302.12442	19.1
303.12659	0.5
323.66916	0.3
327.11929	3.1
327.14981	0.3
345.13049	100.0
346.13327	3.2
369.85638	0.4
456.15952	0.6
474.17371	6.2
475.17517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01875	1.5
55.05508	7.4
56.05026	1.0
57.03424	1.4
59.05001	0.8
67.05499	1.7
69.03414	3.1
69.07075	1.0
70.06594	6.3
71.04966	0.9
72.08155	75.7
79.05482	1.8
81.03413	3.8
81.07050	2.0
83.04977	1.1
84.04502	11.5
84.08132	3.6
85.02907	6.2
86.09705	100.0
87.00819	1.3
87.10012	1.1
88.03993	1.5
91.05479	5.0
93.07029	3.0
94.04166	0.9
95.04971	4.7
95.08606	2.7
97.02888	2.6
98.20625	1.4
99.04442	1.8
102.05544	17.2
103.05458	0.9
105.07031	3.1
107.04962	1.8
107.08581	2.6
109.02908	1.4
109.06528	2.2
109.10129	1.1
110.07142	0.8
113.09617	0.9
114.05526	0.8
115.05434	1.4
117.07030	1.9
119.04958	1.3
119.08604	3.2
120.08108	1.1
121.06544	1.2
121.10128	3.0
122.03608	2.0
123.08065	1.7
126.09136	1.1
127.03907	2.2
129.06990	2.7
129.10213	1.5
131.04945	0.9
131.08586	0.9
132.10202	8.1
133.06522	1.6
133.10045	1.0
135.08116	0.8
136.07512	1.0
137.05977	33.5
137.09573	3.7
138.09152	1.1
141.07004	1.0
145.02815	0.9
145.04980	1.0
145.06482	5.5
145.10078	1.4
147.04417	2.1
149.05951	1.1
149.09634	2.3
151.07515	1.3
152.10750	1.6
156.10225	1.7
157.06494	6.8
159.02948	0.9
161.05974	3.4
162.06758	1.3
163.11180	6.5
165.09145	2.4
169.06454	5.3
170.11873	0.9
171.08069	0.8
175.07574	1.2
177.05489	0.9
183.11288	3.2
185.16571	1.7
187.07539	1.2
189.12782	2.4
190.07779	1.6
197.12871	1.9
201.05411	2.8
201.12320	5.0
205.06497	1.9
205.10161	0.9
207.13730	4.6
211.10683	0.9
213.15958	1.4
215.08504	2.3
215.13896	31.8
217.06511	0.9
219.07988	1.2
221.09692	1.4
222.06679	1.3
225.14879	3.6
229.11842	2.7
231.07925	1.0
231.17044	31.4
233.05923	1.9
233.09578	3.8
234.06525	1.3
237.09056	1.5
243.13406	57.5
245.18452	1.1
249.09067	1.7
250.06258	1.5
261.09015	5.4
264.07651	1.2
265.08707	3.7
273.11383	0.9
278.05670	1.9
281.11676	3.9
292.07217	2.9
293.05023	1.0
293.08041	4.5
293.11685	4.4
307.09589	6.3
308.06747	1.8
309.18918	1.0
311.12714	1.0
312.04364	0.9
322.12845	0.9
325.10696	16.7
342.06116	3.6
342.20203	7.8
351.08594	2.8
386.15900	2.4
473.14407	1.8
473.20752	2.4
473.29730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.9
55.05507	8.4
56.05026	6.3
56.96605	4.2
67.05502	13.0
69.03436	17.9
70.06599	56.5
71.04996	7.0
71.58313	7.8
72.08155	36.5
75.21636	4.4
76.05609	4.8
78.29737	4.3
79.05495	11.5
81.03423	8.0
81.07056	6.0
82.06602	4.3
83.04986	4.4
83.28769	4.0
84.04507	15.1
84.08144	37.4
85.02907	25.0
85.06538	10.2
86.09708	100.0
86.10233	6.2
87.00855	6.0
88.03990	7.3
91.05479	19.5
93.07069	15.4
95.05002	7.8
95.08580	28.7
97.02882	9.8
102.05568	8.3
105.07058	9.1
107.04931	7.7
107.08617	6.8
109.02878	5.7
109.06606	4.9
109.07437	5.2
110.07168	9.9
111.04464	4.9
113.05995	5.6
116.07000	5.1
119.04944	11.3
119.08602	10.2
120.08109	9.6
120.08985	4.3
121.02865	5.0
121.10160	19.6
122.73087	4.9
123.08067	19.1
125.05966	4.6
127.03912	13.6
128.03479	4.7
129.10225	22.9
133.02856	5.9
136.07584	13.6
137.05960	24.1
140.47803	4.7
143.11868	5.9
146.13484	4.6
147.04425	17.7
148.05995	7.5
149.06015	6.6
149.09651	24.4
157.06520	6.1
161.13257	7.5
163.11200	8.2
177.05487	8.8
185.16493	11.4
189.12770	7.1
191.07037	14.0
201.05385	86.9
202.05974	5.1
207.13811	34.2
213.16055	10.2
225.10962	5.3
235.07568	5.0
261.14536	19.6
263.07266	6.2
270.07651	8.5
281.09335	7.7
288.08768	8.9
323.09216	23.1
326.24365	5.5
364.23560	7.7
422.17966	5.6
473.11316	15.0
473.16360	33.3
473.23566	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	473.1418
Annotation	Erlangerin D
Peak:m/z	Relative Intensity
55.01883	1.6
55.05499	1.1
56.96555	1.8
63.89885	1.1
67.05479	0.9
68.40485	0.9
69.03427	1.9
69.07067	2.3
69.56634	2.7
69.57037	4.5
70.06586	16.1
71.00961	0.8
72.08141	2.3
73.02908	1.2
79.05487	1.7
81.03434	1.8
81.07047	0.9
83.04993	1.6
84.04511	2.1
84.08157	4.6
85.02894	3.9
86.09702	24.5
87.10058	1.0
91.05516	2.1
93.07028	3.2
95.04951	1.1
97.02881	2.2
98.20782	2.1
98.97578	1.3
99.75893	0.9
105.07011	1.0
107.04929	1.2
107.08600	2.3
117.40041	1.0
119.04963	1.2
119.08578	1.9
121.10143	2.1
127.03873	2.4
129.10281	1.2
137.05916	2.5
145.07549	2.3
147.03307	1.3
147.04417	2.2
147.11555	1.1
173.04921	1.2
177.05457	2.0
194.32718	1.1
199.18004	5.5
220.84883	1.0
223.07591	1.4
227.17540	1.2
229.15491	3.8
241.08372	1.1
243.09108	1.7
261.10016	3.9
293.07901	1.2
305.08206	1.3
318.11700	1.0
319.09628	1.2
342.51846	1.1
387.13211	7.3
405.14359	4.0
429.15170	18.8
437.13852	1.2
473.14200	100.0
474.14667	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37682	0.7
53.03940	2.4
55.01872	1.9
55.05503	1.5
56.05037	1.0
57.03426	2.4
61.02924	3.4
62.75303	0.8
67.05509	2.1
69.03429	12.4
69.98311	2.5
69.98729	1.8
70.06594	3.1
71.04982	1.9
72.08161	1.6
73.02906	1.8
79.05482	4.6
81.03418	7.9
81.07067	3.0
83.04976	1.1
84.04525	1.0
84.08144	2.1
85.02903	22.3
86.09702	4.6
87.04470	2.1
91.03947	2.2
91.05472	7.5
93.07037	5.5
94.04186	2.9
95.04984	2.2
95.08607	1.8
97.02890	9.5
97.06521	1.2
99.04440	2.5
102.04653	0.9
103.05453	4.0
105.07037	7.6
107.04969	2.1
107.08575	2.0
109.02872	3.9
109.06518	3.4
109.10170	1.1
115.05493	3.9
117.07030	3.2
119.04953	1.9
119.08588	6.3
121.06502	1.3
121.10142	6.4
122.03641	6.5
123.08096	1.1
127.03918	7.3
128.06256	2.8
129.07019	7.9
130.04156	1.3
131.04942	4.2
131.08601	1.2
133.06494	3.6
135.04408	0.9
135.08122	0.7
136.06181	4.5
137.05977	100.0
138.06331	1.7
138.33522	0.7
141.07001	3.2
143.08592	1.0
145.04918	1.7
145.06490	19.3
145.07655	1.1
146.03636	2.6
147.04414	6.0
147.08026	2.2
149.06044	1.8
149.09596	1.7
150.01010	0.9
151.07555	1.1
157.06509	12.5
159.08037	1.1
161.05986	9.7
162.06747	4.1
163.03891	2.9
163.07570	2.6
165.09196	1.2
169.06494	21.0
170.07156	0.8
171.08063	2.2
175.07561	0.8
175.11209	0.9
177.05516	2.3
178.07779	1.3
179.08583	0.9
187.07623	2.4
189.07063	1.5
189.09151	0.9
190.07816	4.5
191.08563	1.1
202.07831	1.5
203.08525	4.2
204.09235	1.2
205.10126	5.2
207.08116	1.1
215.08571	7.3
218.07253	4.6
221.09579	2.3
231.08058	1.5
232.08879	1.9
233.09679	10.7
244.08815	1.0
249.09041	2.1
250.09731	1.1
260.08240	1.5
261.09131	17.9
262.09729	1.3
265.12210	2.5
281.11731	9.3
293.11670	11.9
294.12039	1.0
295.13287	1.2
473.19647	0.8
473.27423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13984	1.8
55.46187	2.0
63.44930	2.1
68.65533	2.2
70.06587	2.4
71.57465	3.1
71.96088	1.9
72.21977	2.0
84.08144	71.4
107.18536	2.1
130.08643	100.0
188.02333	4.5
206.03400	5.0
238.09300	2.2
243.96869	2.4
299.09119	3.1
317.10211	4.2
320.59692	2.2
343.08267	3.4
362.08109	3.0
472.24460	3.8
473.16104	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	472.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12758	4.0
66.37579	3.3
70.94316	9.4
84.08147	66.5
87.79290	4.1
108.80641	3.8
130.08636	100.0
274.79184	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	472.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15860	2.6
55.01878	4.8
55.05494	6.3
56.05013	2.8
57.03431	2.8
59.84826	2.8
60.04507	3.5
60.05661	3.2
67.05495	4.7
69.03422	7.1
69.07062	5.7
69.53101	11.4
69.53530	10.9
70.06596	39.9
71.04974	3.7
71.06934	3.5
72.08156	25.3
73.02928	3.8
79.05473	9.2
81.03407	6.2
81.07053	9.0
83.04953	3.6
84.04499	10.8
84.08146	20.5
85.02905	13.6
86.09703	51.5
87.00852	3.5
88.03929	3.7
89.03909	6.3
91.05480	12.9
93.07024	13.6
94.07391	3.1
95.04976	7.3
95.06106	2.6
95.08600	7.6
97.02876	5.1
98.06042	5.1
98.09693	5.8
99.04465	4.1
100.07633	6.4
104.07077	4.2
105.07012	6.2
107.04948	5.1
107.08607	4.1
108.91105	3.7
109.02921	3.3
110.07187	5.9
112.11234	4.5
114.10316	5.4
116.07067	5.2
117.03379	18.4
119.04943	7.7
119.08586	7.6
120.08109	3.3
121.10134	6.0
123.08099	5.6
127.03927	6.4
129.10231	7.9
133.10124	4.0
135.04410	2.8
136.06155	4.1
136.07541	3.2
137.05951	10.2
145.02859	49.2
145.04932	3.0
147.04420	13.6
149.06003	9.2
149.09668	7.0
159.11665	4.2
162.05472	4.5
162.09140	4.0
163.03847	3.1
175.03938	9.9
177.05472	100.0
178.05762	4.9
182.38275	2.8
184.07370	9.4
190.08707	6.3
201.10245	2.9
207.06520	14.3
207.13850	2.9
257.09232	3.4
265.11731	15.7
289.11969	6.7
296.09857	3.2
307.17453	3.4
317.11316	16.1
347.85092	2.8
350.71545	3.3
354.52936	2.8
387.13290	5.5
405.14539	3.7
406.10242	2.9
429.15088	17.3
437.10846	5.4
454.19739	6.2
471.43250	3.0
472.22034	30.8
473.14227	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	471.2203
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
54.64978	0.3
55.05504	0.7
61.37698	0.3
67.05502	1.0
69.03416	0.8
69.07051	0.7
70.06590	0.6
71.04963	0.3
71.57854	0.4
71.58257	0.3
72.08150	0.5
74.74667	0.3
79.05508	0.6
81.03402	0.6
81.07042	1.2
83.04976	0.6
83.08600	0.5
84.04462	0.3
84.08135	0.8
85.02901	0.9
86.09696	0.4
91.05489	0.9
91.64932	0.3
93.07043	1.1
95.04942	0.6
95.08599	0.9
97.02892	1.0
105.07007	1.0
107.08580	0.8
109.02886	0.5
109.06542	0.5
109.10161	0.7
111.04436	0.5
112.11236	0.3
113.30573	0.2
119.08578	1.0
121.06480	0.3
121.10150	0.9
123.11767	0.4
125.09740	0.3
127.03893	0.4
127.11211	0.3
129.06932	0.3
131.08542	0.7
133.02867	0.4
133.10112	0.6
135.11725	0.4
136.06181	0.5
137.05981	0.6
139.03864	0.4
141.05435	0.3
143.08536	0.3
145.02841	0.6
145.10121	0.6
147.04431	0.6
147.11700	0.3
151.07521	0.3
159.08163	0.3
159.11702	0.5
161.09590	0.3
161.13260	0.4
163.11133	0.3
175.07521	0.3
175.14841	0.3
177.05444	1.3
187.14865	0.4
197.75523	0.3
199.14917	0.5
201.16545	0.3
203.05312	0.9
218.90747	0.3
223.16978	0.3
259.08002	0.8
299.96240	0.3
303.05106	0.4
309.16623	1.5
408.22812	0.3
471.22018	100.0
472.22327	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12553	0.3
52.02494	0.3
55.05499	0.4
67.05497	0.8
69.03433	0.5
69.07079	0.5
69.78851	2.1
70.06583	0.4
75.04477	0.3
79.05508	0.8
81.07042	1.0
83.04999	0.6
84.04493	0.4
84.08153	0.6
85.02895	1.0
91.05482	1.0
93.07043	1.3
95.08597	1.3
97.02868	0.4
98.98441	0.6
99.85888	0.4
100.07655	0.4
103.05418	0.4
105.06998	0.8
106.06528	0.4
107.08582	0.8
109.10131	0.9
111.04485	0.5
118.06604	0.4
119.06879	0.4
119.08566	0.8
121.10130	1.0
123.08071	0.3
123.11685	0.6
125.00002	1.3
131.07231	0.4
131.08583	0.7
133.10091	0.4
137.05969	0.5
144.08086	2.8
145.02832	0.6
145.08424	1.9
145.10130	0.8
146.09625	0.5
147.04411	0.8
147.11687	0.5
158.09659	1.1
159.10011	0.7
159.11598	0.4
161.11621	0.6
161.13133	0.4
162.09099	0.3
165.09125	0.5
172.11243	2.7
173.11551	3.0
177.05486	0.9
177.11034	0.3
186.12770	0.4
187.13176	0.5
190.12320	0.4
191.12563	0.6
202.67372	0.4
244.20172	0.4
245.20955	0.7
263.16101	0.3
271.22391	0.5
272.20102	0.8
273.17688	0.5
273.20444	3.0
287.22122	0.7
298.21777	0.9
299.21921	5.5
309.16766	1.4
316.22522	2.3
317.23029	16.8
325.10596	0.3
335.24091	1.3
347.24045	0.7
356.88989	0.4
373.25613	6.3
391.26724	2.8
397.19666	1.8
415.20724	1.7
438.16339	0.3
453.22650	1.9
471.22253	100.0
472.22433	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	471.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15038	1.0
53.03936	1.7
55.01854	1.2
55.02975	1.1
55.05494	4.5
57.03423	1.7
59.04855	1.1
60.04525	8.6
60.05654	12.4
66.09840	1.2
66.11798	1.0
67.70623	1.1
68.05027	1.8
69.03406	4.7
69.05805	1.3
70.06594	27.7
71.01355	1.2
71.09478	1.6
71.09803	2.0
72.04496	2.5
72.05634	2.3
72.08155	41.8
73.06461	2.0
74.07175	4.3
79.05468	1.2
81.03402	3.1
83.06088	1.4
84.04479	3.4
84.05629	2.7
84.08110	3.1
85.02910	9.0
85.04002	4.7
86.06051	3.0
86.07185	8.0
87.07944	3.1
88.05104	4.0
88.08729	4.7
89.10753	3.3
91.05447	4.7
95.04943	1.6
96.04470	3.9
96.06872	2.4
97.02894	10.5
97.07635	9.1
98.06052	11.0
98.07130	2.6
100.05070	1.4
100.07626	1.5
100.08755	5.3
102.06631	2.8
102.10304	1.6
107.04961	5.3
109.02860	3.1
110.07188	5.3
111.05526	1.7
112.08706	5.2
114.05485	1.1
114.06614	2.3
114.10289	33.9
115.08701	6.7
116.08208	7.8
116.11827	1.8
119.04954	14.9
121.02828	2.3
122.06013	1.5
123.04401	4.4
126.06586	1.5
127.03864	4.8
127.04936	1.5
127.09705	1.1
128.08218	7.0
130.09717	2.8
131.12921	9.0
133.02792	2.7
134.05956	1.3
135.04462	5.6
137.05899	1.2
138.10265	2.4
139.08632	3.9
140.08151	3.2
142.09734	2.5
144.06511	4.9
144.07648	4.1
145.02794	3.6
145.08414	1.3
146.03568	4.8
147.04408	100.0
148.04700	3.3
151.03931	1.7
152.06996	1.7
152.08107	1.6
155.08154	1.4
155.12900	2.1
156.11250	3.4
157.10852	8.7
158.09218	3.8
159.09901	1.3
159.12454	6.5
162.05424	1.2
162.07555	4.7
163.03915	6.3
166.09621	1.6
170.09232	1.2
176.10562	2.1
177.05403	4.3
178.05833	1.8
178.07210	8.7
179.03455	7.7
179.05902	1.9
186.12291	2.0
187.11816	2.0
188.10269	1.4
199.12018	1.2
201.13385	2.1
204.10126	2.3
205.08182	1.9
215.11613	1.9
216.10168	7.3
217.11136	1.2
217.13351	5.3
218.11673	4.9
222.10866	10.3
229.12898	4.4
231.11357	1.4
232.09624	6.7
235.14215	2.7
246.12187	1.3
248.12302	2.2
249.12349	2.2
250.10608	5.1
258.12393	2.6
260.14099	7.2
262.13879	4.6
267.13150	2.1
274.11700	3.3
275.14951	5.7
276.15726	3.9
277.14044	1.6
277.16614	21.7
278.13364	3.1
291.14288	2.7
292.12601	1.8
293.18347	2.0
299.19562	1.2
301.16351	4.3
305.12869	1.2
305.16083	19.3
309.15518	10.9
315.14468	1.4
318.16919	1.4
319.17795	7.6
331.17429	1.8
333.15454	1.8
347.16998	2.7
348.17709	1.6
351.16513	2.1
361.18503	2.1
363.16553	1.5
363.20380	1.5
380.92706	1.1
391.19656	1.4
407.18903	1.2
435.18573	2.0
437.20142	4.1
438.21124	39.3
439.21146	1.8
453.19580	6.3
471.20697	69.9
472.21021	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0896
Annotation	Tjipanazole A1
Peak:m/z	Relative Intensity
54.22356	1.0
55.05513	1.3
57.03446	1.4
67.05484	1.0
69.58843	5.4
69.59263	2.6
70.06592	2.7
71.04985	4.9
72.08141	1.4
78.67058	1.0
81.07063	1.8
84.08120	2.8
85.02880	6.8
86.09698	2.3
97.02879	1.1
98.21326	3.5
109.26964	1.1
110.07158	1.2
149.09601	1.1
157.10043	1.1
168.16292	0.9
169.04729	19.3
184.07329	2.5
185.04240	2.8
199.82738	1.1
210.14951	1.8
242.35497	1.1
308.02924	2.3
309.03729	5.3
324.02585	1.8
325.03168	100.0
326.03470	3.9
326.06741	1.7
343.04141	1.5
361.04132	2.3
366.05978	3.2
471.09006	71.5
472.09305	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55331	0.5
60.04506	2.3
60.05627	0.5
63.02371	0.5
65.73283	0.5
69.03417	1.2
70.19230	2.0
72.08147	4.9
73.02885	0.7
84.04491	1.0
85.02909	4.4
85.04016	2.0
89.03923	2.7
89.10777	0.6
97.02873	3.9
97.07652	0.9
98.06024	1.1
114.10280	13.2
115.03912	0.9
115.08685	4.0
117.03367	10.2
127.03888	1.0
131.12888	1.3
134.03558	0.6
135.04453	0.7
144.06561	2.9
145.02841	50.8
149.06017	3.0
151.07532	0.8
155.12909	1.0
156.11310	1.5
157.10808	0.6
162.07614	2.2
172.86644	0.5
177.05461	100.0
178.05745	1.9
180.08730	0.6
184.34900	0.4
197.14023	0.5
205.08191	1.4
232.12086	1.4
247.14380	4.1
248.12805	4.6
265.15421	4.0
290.14972	8.9
291.13300	1.1
307.17621	16.6
308.18005	0.8
321.64670	0.6
331.17654	1.9
332.16074	1.7
349.18759	3.2
373.18781	2.2
374.17160	2.6
397.18787	0.8
400.83765	0.5
433.20609	2.9
451.21664	0.6
452.20465	2.1
469.22931	78.0
470.23245	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35263	0.3
52.88463	0.3
55.05490	0.3
59.88262	0.3
61.49872	0.3
61.69490	0.3
67.05457	0.5
69.03383	0.6
70.06567	0.4
70.14810	0.9
70.15197	1.0
71.04937	0.3
73.02868	0.5
84.04474	0.6
85.02873	0.4
86.15278	0.4
91.05434	1.1
97.02868	0.7
98.21370	0.4
98.98425	1.5
101.19624	0.4
106.06556	2.1
107.07309	0.5
117.05727	0.3
118.06539	3.1
119.07316	0.4
125.00005	4.6
126.05508	0.7
129.06982	0.5
130.06462	0.5
131.07307	2.5
131.08192	0.5
132.08051	1.4
133.08820	0.7
134.09592	0.5
137.05994	0.4
138.05444	0.5
143.07251	0.4
144.08080	13.2
145.08797	0.8
146.09625	2.7
148.11140	0.4
156.08060	1.0
157.08836	0.5
158.09650	5.4
159.10385	1.3
160.11195	3.0
162.09151	1.6
170.77792	0.4
172.11206	18.5
172.12708	0.9
174.12743	0.8
176.10666	1.2
186.12730	2.9
188.14297	0.7
190.12263	3.4
191.19366	0.4
200.14310	2.2
204.08690	0.7
204.13739	0.6
205.08940	0.4
211.06006	0.4
214.15973	0.6
218.15448	0.4
244.20589	2.5
268.20749	0.5
270.22165	0.7
272.20065	13.7
272.23004	0.8
273.20395	0.5
286.21646	3.4
288.23199	0.4
290.21204	0.9
298.21640	21.9
299.22046	0.9
316.22696	66.1
317.23022	2.8
334.23730	5.4
342.24115	0.4
346.23746	2.5
346.27365	0.4
350.18845	0.4
360.17181	0.9
372.25317	20.6
373.25638	1.2
378.18396	1.0
390.26355	9.7
391.26654	0.8
396.19348	6.8
414.20386	4.9
452.21948	6.4
470.23029	100.0
471.22397	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	469.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.3
55.05495	0.4
56.05014	0.4
57.03451	0.4
60.04526	2.4
60.05647	2.1
63.02350	0.4
68.05018	0.6
69.03438	2.6
70.06582	1.0
70.72950	1.3
72.04510	0.6
72.08154	8.2
73.02894	0.4
81.03401	0.7
84.04498	1.0
84.05601	0.8
84.08131	0.9
85.02897	4.5
85.04004	1.2
89.03918	2.4
89.10789	1.0
91.05461	0.5
96.04476	0.5
97.02893	4.8
97.07642	1.5
98.06040	1.1
98.97542	0.5
103.76850	0.4
112.08721	0.3
114.10290	16.6
115.03972	0.6
115.08686	3.1
117.03378	10.7
126.05485	0.8
126.06678	0.4
127.03918	1.6
130.08661	0.4
131.12935	3.0
134.03587	0.4
135.04396	0.7
138.10252	0.7
139.08656	0.8
144.06572	2.6
145.02843	53.0
146.03177	0.9
149.05975	4.6
155.12906	1.7
156.11310	1.4
157.10808	1.0
162.07637	3.2
163.03914	0.6
173.02982	0.5
177.05467	100.0
178.05818	2.7
178.07140	0.4
180.08667	0.8
186.05571	0.5
205.08344	0.4
232.12126	0.7
232.28081	0.4
240.13393	0.4
245.05092	1.5
247.14432	3.2
248.12747	3.5
257.16122	0.9
265.15494	3.1
276.15494	0.5
290.14975	9.3
307.17621	18.2
308.18106	0.6
309.94278	0.4
331.17657	1.7
332.16028	1.6
349.18713	3.4
360.67731	0.4
373.18741	1.0
374.17084	1.4
379.19894	0.8
397.18582	0.5
433.20859	2.5
434.20004	0.4
451.21906	0.7
452.20303	1.3
469.22937	77.6
470.23105	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81341	0.6
60.04519	2.6
60.05632	2.0
69.03405	2.2
69.22810	0.6
69.27277	5.0
69.27705	1.3
70.06557	0.6
71.03032	0.6
71.35049	0.5
72.04507	0.6
72.08152	10.2
74.58479	0.6
75.66551	0.6
81.62865	0.6
84.04493	1.7
84.05642	0.6
85.02921	4.7
85.04007	1.2
87.63055	0.5
89.03918	3.1
89.10762	1.5
92.83600	0.5
96.04478	1.1
97.02885	4.8
97.07631	1.8
98.06046	1.4
98.21523	1.0
99.04384	0.6
109.02840	0.9
114.10290	18.0
115.03899	0.9
115.08708	3.2
117.03379	10.0
126.05500	0.7
127.03922	1.7
131.12920	3.5
138.10254	0.8
144.06558	4.2
145.02844	54.7
146.03203	1.0
146.06015	0.8
149.05940	4.0
155.12898	1.9
156.11301	1.8
157.10905	0.7
162.07610	2.5
177.05466	100.0
178.05803	2.7
180.08662	1.3
205.08214	0.7
232.12122	0.8
247.14450	3.8
248.12830	3.6
257.16074	0.8
265.15460	4.2
266.83170	0.6
290.14957	8.9
307.17624	18.3
308.17831	0.9
331.17719	1.6
332.16187	1.1
339.52121	0.8
349.18619	2.9
373.18555	1.7
374.17096	2.2
433.20721	2.4
451.21567	0.8
452.20215	0.8
469.22937	80.4
470.23123	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	468.235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20167	0.2
53.03946	0.3
53.13961	0.2
55.05511	0.2
56.05034	0.5
57.03423	0.5
57.32498	0.2
58.06607	0.5
60.08162	6.8
67.05492	0.6
69.03429	0.5
69.07060	0.8
70.06580	1.0
71.04984	0.6
71.07360	2.8
71.58183	0.2
71.58579	0.3
72.08153	0.4
73.02927	0.3
79.05495	0.7
79.09435	0.2
81.03407	0.7
81.07052	2.4
83.08613	0.2
84.04494	0.5
84.08136	0.6
85.02905	1.6
86.09701	35.0
91.05472	0.8
93.07035	0.5
95.04936	0.4
97.02845	0.3
98.98457	3.5
104.10739	3.7
105.07064	0.5
107.08543	0.2
109.02890	0.3
109.10121	0.3
118.06508	0.4
119.08601	0.3
120.08069	0.3
121.10088	0.4
122.09627	0.4
124.07681	0.2
124.83572	0.2
124.99996	22.5
127.03909	0.3
129.10216	0.7
136.07602	0.3
143.01044	0.5
145.02794	0.4
145.04900	0.3
146.05966	0.3
147.04407	0.6
149.09593	0.2
150.09096	0.6
166.07236	0.5
168.07759	0.3
169.12218	1.5
177.05421	0.8
181.08456	0.5
184.07327	100.0
185.07669	0.9
190.40948	0.2
203.24174	0.2
236.13969	0.6
264.13489	0.5
290.39026	0.2
292.12933	0.3
302.90326	0.2
303.05081	1.2
304.05270	3.1
305.05469	2.5
306.05756	4.1
309.15515	1.0
337.15240	0.3
387.19305	0.3
425.14191	0.4
450.22153	0.9
468.23514	2.8
469.12897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	21.5
57.03437	16.9
57.19221	5.4
61.02919	7.1
67.05512	10.8
69.03424	12.6
69.26202	6.8
70.06589	19.9
72.08136	12.0
76.55284	5.5
79.05501	9.2
81.03443	6.7
83.04976	8.4
84.04511	22.7
84.08134	22.1
85.02887	31.3
86.09711	23.4
91.05489	33.7
93.07021	42.9
95.04989	13.9
97.02892	12.0
105.07056	14.2
107.08592	23.7
111.04468	6.7
111.08085	7.6
112.40392	6.6
113.79880	6.6
119.04942	24.6
119.08578	8.0
121.10151	11.4
124.07583	12.6
125.00018	13.4
127.03915	7.4
129.05473	100.0
129.10239	10.7
135.04422	8.8
135.08005	10.4
136.07506	7.5
139.03918	9.1
145.02893	8.5
146.06015	17.5
147.04422	53.2
147.08081	12.4
150.07745	18.1
152.07054	19.1
153.12776	15.8
163.03935	23.1
173.25539	6.6
175.04002	8.9
184.07373	43.0
190.08714	15.0
207.06442	15.0
220.09763	11.0
237.34071	7.0
257.13849	38.3
263.91281	6.4
272.10483	24.1
284.96530	7.5
304.05392	14.6
305.05521	11.2
305.08710	47.6
306.05896	24.4
417.87631	7.0
451.16861	7.6
452.44131	8.7
468.20380	27.5
468.27310	13.5
469.13297	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10892	1.5
55.01849	2.5
56.05040	1.7
57.03431	15.2
58.29537	1.5
61.02923	7.3
66.21696	1.8
67.05501	2.2
68.74777	1.5
69.03427	27.0
69.29704	18.2
71.01333	1.7
71.04968	2.0
73.02912	54.0
74.00655	3.8
79.05472	2.1
81.03377	2.3
81.07039	3.5
84.04501	51.5
84.55481	1.8
85.02911	11.8
85.40027	1.5
87.04448	2.0
91.05478	5.0
93.07036	3.5
95.04962	1.5
95.08608	3.8
96.04482	7.3
97.02888	40.9
97.06470	1.4
98.06062	5.3
99.04456	5.0
100.70158	1.5
103.03987	1.8
104.86265	1.4
105.07038	5.6
107.08581	3.9
109.02892	2.1
109.10157	1.8
115.03922	30.0
117.05516	1.9
117.07006	1.8
119.04926	3.7
119.08539	2.3
121.10139	24.9
122.02718	3.6
123.11737	3.7
126.04561	3.8
126.05505	77.0
130.07263	1.5
131.08582	2.5
133.04959	5.2
136.06258	1.9
138.05495	63.3
140.03259	1.6
143.03395	1.8
144.06566	11.7
147.04375	4.2
147.11671	3.6
159.08070	3.2
165.05473	1.7
165.12801	3.3
166.90260	1.5
168.06557	20.0
177.05447	2.5
186.07585	13.9
204.08667	100.0
205.08966	1.6
211.06035	12.8
222.05916	2.4
223.14859	1.9
229.06987	3.0
247.08107	2.8
251.03816	2.4
268.06378	3.1
283.16885	4.7
304.78436	1.7
311.16415	3.4
329.17465	4.7
336.12888	14.8
386.17908	2.8
414.17365	2.0
432.18427	6.6
450.19406	5.2
468.17099	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	468.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10892	1.5
55.01849	2.5
56.05040	1.7
57.03431	15.2
58.29537	1.5
61.02923	7.3
66.21696	1.8
67.05501	2.2
68.74777	1.5
69.03427	27.0
69.29704	18.2
71.01333	1.7
71.04968	2.0
73.02912	54.0
74.00655	3.8
79.05472	2.1
81.03377	2.3
81.07039	3.5
84.04501	51.5
84.55481	1.8
85.02911	11.8
85.40027	1.5
87.04448	2.0
91.05478	5.0
93.07036	3.5
95.04962	1.5
95.08608	3.8
96.04482	7.3
97.02888	40.9
97.06470	1.4
98.06062	5.3
99.04456	5.0
100.70158	1.5
103.03987	1.8
104.86265	1.4
105.07038	5.6
107.08581	3.9
109.02892	2.1
109.10157	1.8
115.03922	30.0
117.05516	1.9
117.07006	1.8
119.04926	3.7
119.08539	2.3
121.10139	24.9
122.02718	3.6
123.11737	3.7
126.04561	3.8
126.05505	77.0
130.07263	1.5
131.08582	2.5
133.04959	5.2
136.06258	1.9
138.05495	63.3
140.03259	1.6
143.03395	1.8
144.06566	11.7
147.04375	4.2
147.11671	3.6
159.08070	3.2
165.05473	1.7
165.12801	3.3
166.90260	1.5
168.06557	20.0
177.05447	2.5
186.07585	13.9
204.08667	100.0
205.08966	1.6
211.06035	12.8
222.05916	2.4
223.14859	1.9
229.06987	3.0
247.08107	2.8
251.03816	2.4
268.06378	3.1
283.16885	4.7
304.78436	1.7
311.16415	3.4
329.17465	4.7
336.12888	14.8
386.17908	2.8
414.17365	2.0
432.18427	6.6
450.19406	5.2
468.17099	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	468.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	13.9
56.05034	10.9
57.02728	4.6
57.03473	4.8
58.99588	6.6
60.04534	6.7
67.05495	12.8
68.05034	4.2
68.23766	4.6
69.03410	20.4
69.34382	4.5
70.02939	5.4
70.06586	30.7
71.04999	6.5
71.58298	8.3
72.08154	49.2
73.02912	18.1
73.08453	5.6
79.05490	26.3
80.00942	4.6
81.07049	26.9
84.04517	29.4
84.08156	35.2
84.93967	5.2
85.02913	21.0
86.09704	13.8
88.03983	55.0
91.05473	77.5
93.07041	90.4
95.04982	18.5
95.08599	34.4
96.04483	7.6
97.02889	9.6
101.94474	4.5
103.05452	6.0
105.07018	17.6
107.04970	10.4
107.08569	29.2
109.02861	5.8
109.06547	6.2
109.10152	15.6
110.07178	8.4
111.04431	6.2
114.10284	16.4
114.38261	4.5
117.07042	12.0
118.06525	16.9
119.04960	22.4
119.08575	100.0
120.08110	15.1
121.10126	37.2
122.02740	28.3
123.04366	9.5
123.08054	5.6
126.05485	12.0
127.03896	5.9
127.05808	11.3
129.10233	17.7
130.04990	12.7
130.06575	5.1
132.01141	6.5
134.94414	5.2
135.08049	25.4
136.07571	53.8
137.05939	5.4
137.07912	20.8
137.09622	7.7
138.06422	5.5
139.03909	12.8
140.04260	6.6
145.02826	24.2
145.06442	6.4
146.06015	33.9
147.04398	58.6
147.08028	49.5
151.05867	4.8
152.07074	6.1
153.09192	13.3
155.01485	6.1
163.03853	5.8
165.09116	65.5
177.05484	73.3
183.10170	24.3
199.07870	9.3
207.11301	11.3
208.11617	15.1
217.08875	15.6
233.11374	9.7
235.10797	5.5
287.09567	6.3
304.12134	75.4
307.17633	7.7
330.08252	4.8
351.13797	5.9
371.17026	7.6
427.12839	5.7
469.23044	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01861	5.6
55.05497	5.2
56.02957	2.4
56.05019	4.5
57.03430	2.2
61.29301	2.2
63.50441	2.5
64.75934	2.1
65.76305	2.4
67.05492	11.1
69.03424	6.9
69.07052	2.8
70.06593	21.3
71.04984	5.2
71.57700	2.6
71.58086	3.7
72.08150	13.5
73.02921	18.8
79.05485	20.0
79.70448	2.5
81.03397	2.4
81.07044	17.5
84.04497	18.3
84.08146	21.2
85.02890	12.0
86.06023	2.2
86.09720	5.5
88.03992	49.1
89.03888	2.5
91.04915	2.8
91.05481	53.2
93.07041	84.2
95.04971	7.3
95.08604	33.8
96.04392	2.9
97.02899	5.2
98.06067	3.8
100.02148	3.9
103.05446	5.2
105.07022	14.1
107.04951	6.0
107.08575	24.2
109.06482	3.3
109.10145	9.2
110.07161	4.8
114.10315	6.0
114.30825	2.2
115.03934	3.5
117.03459	3.0
117.06998	8.9
118.06512	14.2
119.04939	8.0
119.08575	93.7
120.08120	5.8
121.06572	3.8
121.10130	36.5
122.02713	20.9
123.04418	7.2
123.08096	4.0
125.04224	6.0
126.05521	10.2
127.03899	4.9
127.05769	6.2
129.07010	3.3
129.10237	10.8
135.08066	15.2
136.07550	13.2
137.05928	3.9
137.09596	6.8
138.05460	3.2
139.03888	3.5
145.02837	14.4
146.06012	21.6
147.04404	15.8
147.08052	32.4
149.09547	2.5
153.09067	13.3
154.05008	4.9
157.10825	2.6
157.73705	2.5
165.09113	57.7
177.05466	23.5
181.57428	2.5
183.10214	24.0
199.07892	6.9
199.58624	2.7
217.08942	18.8
270.11331	3.3
286.11154	5.2
287.09512	9.7
296.12387	3.3
304.05353	3.9
304.12097	100.0
305.05594	2.7
306.05875	5.3
307.17477	3.8
348.84003	2.8
469.22919	12.5
470.90683	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	468.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49546	1.2
55.01860	3.4
55.05502	1.8
56.05026	2.8
57.03436	18.6
60.04499	1.3
60.08146	4.1
61.02924	8.4
67.05506	1.9
69.03084	1.5
69.03432	24.1
69.67155	7.7
70.06590	5.6
71.01352	2.6
71.04994	1.2
73.02917	53.2
77.85567	1.2
79.05486	2.0
81.03412	3.5
81.07068	1.7
84.04504	55.2
84.08125	4.1
85.02917	13.7
86.09708	16.1
87.04430	1.5
89.72184	1.3
91.05478	3.3
93.07062	2.1
95.08614	1.9
96.04496	7.4
97.02289	2.5
97.02890	36.6
98.06054	5.5
98.20843	2.1
99.04465	5.7
101.63863	1.2
103.03919	2.0
104.10741	16.6
107.08561	1.8
109.02866	2.5
112.15118	1.1
112.46521	1.1
115.03926	28.8
116.07072	1.7
123.04444	2.1
124.03966	2.0
124.82666	1.1
125.00008	8.4
126.05516	79.8
127.03892	2.1
129.10294	1.1
130.74319	1.1
133.04991	7.3
136.06210	2.2
137.05978	1.6
138.05502	47.4
139.03871	1.3
144.06546	9.2
149.04378	1.4
166.07260	4.5
168.06558	19.6
177.05428	3.3
178.05817	1.7
184.07341	31.2
186.07625	15.1
204.08678	100.0
211.05988	13.5
229.07034	3.4
247.08096	2.2
303.04785	1.7
304.05280	3.7
336.12820	17.0
361.02390	2.2
450.23108	1.5
468.16724	3.6
468.23093	4.7
468.28928	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28608	0.7
55.05511	10.9
56.01994	0.8
57.03436	2.0
57.07078	33.7
59.04992	3.4
63.60579	0.7
63.79063	0.8
65.03950	2.9
67.05505	100.0
68.05804	1.5
69.07072	8.5
70.39825	0.8
70.71915	2.8
71.04993	3.1
71.08241	1.0
71.08631	22.8
79.05502	3.2
81.07056	27.0
83.08147	1.2
83.08624	16.9
85.06547	2.4
85.10173	13.4
91.05480	4.9
93.07043	3.5
95.04958	1.1
95.08610	24.7
97.10185	4.7
107.08598	2.1
109.10156	78.1
111.08080	1.5
111.11720	2.2
119.08549	5.5
123.11731	4.5
125.13313	1.3
137.09639	3.7
137.13287	2.3
155.10713	1.8
173.11740	27.6
180.87852	0.8
204.08696	1.2
239.23701	7.5
245.58885	0.8
350.25772	0.8
374.65912	0.9
441.27612	0.8
467.37350	60.4
468.37753	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13571	1.1
52.17584	1.2
55.05302	1.3
55.05518	13.1
57.03434	2.3
57.07077	33.6
59.04989	3.3
60.95588	1.1
60.95951	1.1
63.66682	1.3
65.03936	1.6
67.05505	100.0
69.03430	1.8
69.07069	9.3
70.65187	5.0
71.04992	3.2
71.08635	25.7
71.71785	1.3
73.02919	3.3
79.05495	3.2
81.07056	25.4
83.08633	14.5
84.04493	3.8
84.93733	1.3
85.02894	1.9
85.06547	1.9
85.10184	14.0
91.05484	5.5
93.07054	3.9
95.08610	27.3
97.02885	2.1
97.10182	4.9
107.08601	3.7
109.10159	79.1
111.08089	2.6
111.11776	2.1
115.03954	3.1
119.08582	6.8
123.11745	6.1
126.05507	4.2
137.09596	3.5
138.05481	2.5
155.10693	3.8
173.11739	20.7
204.08727	5.5
239.23746	5.7
275.76672	1.5
291.23431	1.5
336.12936	2.0
397.66922	1.5
467.37335	60.1
468.37936	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19282	1.5
55.01867	3.0
55.05511	12.5
57.03433	12.6
57.07074	55.9
59.04993	3.9
65.03932	1.9
67.05501	69.0
69.07068	11.6
70.65228	4.3
71.04990	3.4
71.08630	40.6
73.02914	2.6
75.04496	2.1
79.05488	4.6
81.07056	30.7
83.08619	19.3
84.04498	4.8
85.06546	2.4
85.10177	16.7
91.05479	4.0
93.07030	2.9
95.08607	34.1
97.02918	2.6
97.06541	4.6
97.10157	6.6
98.06854	1.7
98.98465	45.6
99.11676	2.1
105.07001	2.2
107.08577	2.3
109.10152	48.1
111.11709	1.9
119.08597	2.8
123.11659	4.4
125.13354	1.5
126.05537	6.0
132.32690	1.5
137.00009	2.7
137.09518	1.7
137.13327	1.8
138.05539	3.9
141.72916	1.5
155.01035	48.3
173.11763	16.5
204.08713	7.2
211.03664	3.5
229.04660	3.0
239.23679	13.0
257.24719	1.9
275.82288	1.7
313.27353	100.0
393.23914	2.0
449.26434	10.8
467.37357	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	467.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.9
57.02971	1.6
57.03441	9.6
57.07077	37.7
67.05506	26.3
69.03410	1.9
69.07072	7.6
69.45399	12.6
71.08633	23.8
72.79541	1.7
73.02880	3.5
79.05476	2.1
81.07063	16.5
83.08618	10.4
84.04488	3.5
85.10172	15.6
93.08750	1.5
95.08596	22.6
97.02888	2.1
97.10172	5.7
98.98466	47.7
105.07030	2.1
107.08609	2.5
109.10157	19.4
123.11668	3.2
125.05293	1.6
126.05506	5.4
136.99986	4.7
137.13243	2.2
138.05522	2.5
155.01048	54.8
173.11789	4.4
186.62427	1.8
199.60869	1.7
204.08691	5.3
229.88800	1.8
239.23732	7.1
241.15761	1.7
283.34024	1.5
313.27368	100.0
314.27805	2.4
317.58597	1.7
336.13034	1.8
363.90152	1.5
449.26620	10.9
467.37524	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	466.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
53.16542	0.8
55.01862	4.2
55.05502	1.8
56.05019	0.9
57.03414	1.6
58.99578	2.3
60.04504	1.4
61.28412	1.0
65.03939	1.8
67.05491	2.4
68.99795	1.4
69.03436	8.7
69.07064	1.5
69.08781	0.9
70.06615	5.2
71.04974	2.6
71.42104	0.9
71.57603	1.2
72.08133	3.0
79.05482	5.4
81.03414	3.3
81.07040	2.7
83.04953	1.6
84.04501	2.6
84.08132	3.9
85.02918	6.5
86.09703	3.0
88.02206	1.4
88.03994	5.4
91.05483	21.7
93.03401	1.2
93.07045	25.0
95.04958	4.3
95.08588	3.6
97.02903	5.9
98.97566	1.0
102.05552	1.3
102.69628	1.1
103.05460	1.4
105.07021	5.2
105.86565	1.0
107.04967	1.5
107.08595	3.2
109.02885	3.7
109.06501	2.0
110.07185	1.5
111.00813	1.1
111.04426	1.2
111.08070	2.5
114.10321	1.3
116.07099	1.4
117.06986	6.9
119.04929	2.0
119.08582	41.5
120.08098	2.0
121.02831	1.6
121.06514	1.4
121.10128	4.2
122.02708	1.4
123.04407	1.9
123.08109	1.2
124.03967	2.4
127.03901	6.1
129.07010	2.6
129.10190	1.4
130.06482	1.3
131.08603	1.8
132.01115	1.2
133.06494	1.0
135.04413	1.7
135.08047	3.6
136.07599	1.3
137.02342	4.4
137.09596	3.4
138.02663	1.2
139.03900	1.7
145.02798	1.7
145.04958	1.1
145.06535	1.1
147.04402	3.5
147.08055	24.6
151.05762	7.2
153.01801	6.0
153.07291	1.7
154.02165	2.3
155.08247	1.1
163.03903	0.9
165.01801	2.0
165.09149	10.8
165.64380	1.0
166.02222	1.6
177.05469	2.7
179.05264	9.0
180.52007	1.2
181.04900	1.7
183.02759	1.1
183.10161	6.5
184.03305	1.2
188.07089	3.1
190.08633	1.1
197.06325	1.9
201.05449	1.2
202.05879	3.1
212.03979	1.1
215.07402	4.9
229.04924	3.5
230.05353	4.8
231.10133	1.2
240.10684	1.1
255.08495	1.1
257.04291	2.0
258.04800	4.3
268.10086	6.5
286.04294	1.4
286.11075	9.6
303.04996	44.0
304.05331	100.0
304.11844	4.9
305.05560	4.8
309.13232	5.9
327.14307	10.6
359.11551	4.1
371.91177	1.0
430.15314	4.6
431.14740	1.1
448.16336	8.2
467.21274	1.8
471.50842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71521	1.7
55.01874	2.6
56.05021	1.7
61.02911	1.4
66.59521	1.4
69.03419	3.6
70.06586	4.9
71.10478	3.1
72.08178	2.4
78.57636	1.5
81.03398	1.8
81.07035	2.2
84.04503	6.5
84.08148	3.9
85.02908	6.7
86.09711	2.7
88.04003	2.1
91.05472	3.0
93.07062	1.9
94.06581	2.3
95.04971	1.8
97.02897	3.6
102.75570	1.5
106.06564	3.0
108.08138	2.5
109.02860	2.4
118.06564	2.0
119.08614	2.5
120.04479	2.2
120.08117	4.3
122.06009	1.8
123.04402	2.9
127.03889	1.7
129.10275	1.4
132.08109	2.9
134.06029	6.0
135.04391	2.4
137.02359	4.3
137.05988	4.5
140.07068	3.3
146.06094	3.5
147.04349	2.3
148.07593	6.3
151.03926	1.7
152.07048	3.1
153.01843	2.2
154.05032	1.8
160.07550	3.1
162.05501	8.1
163.03952	2.0
168.06537	3.7
173.07092	2.2
174.07858	3.0
174.09180	2.2
175.08601	2.5
176.07066	2.6
178.08562	3.0
184.07634	1.7
187.08604	2.6
188.07137	3.7
194.08160	5.6
198.09276	2.4
199.08725	5.2
200.09291	3.5
201.06786	2.1
201.10202	8.6
212.09409	1.6
213.10284	5.5
214.08633	2.9
214.10959	2.3
215.11816	10.4
225.10229	3.7
226.10934	4.7
227.08260	2.5
227.11821	8.6
229.05045	3.7
229.09715	6.3
232.09782	2.2
239.11826	4.8
241.09789	6.6
241.13408	2.0
242.10451	2.8
243.11256	5.4
251.11795	1.7
253.13374	4.2
255.11270	14.8
256.12119	2.7
257.12845	3.2
263.11792	1.9
265.09839	1.8
266.10538	1.8
267.11307	1.9
269.09076	2.6
269.12912	7.6
270.13641	3.6
273.12476	4.1
274.13174	1.9
275.14120	3.7
281.12878	3.8
283.10651	4.8
285.12317	3.5
287.10522	3.7
287.13937	11.6
295.10898	2.6
297.12546	7.4
298.13065	2.3
299.13870	19.0
301.11844	3.6
302.12714	4.9
303.04980	46.2
303.13177	10.7
304.05475	3.0
309.12326	2.0
311.13940	2.3
315.13354	37.2
316.14136	30.5
317.14584	4.8
325.11768	3.7
327.13345	2.2
329.14993	3.8
337.11850	1.7
339.13608	1.6
341.15054	2.1
343.12714	7.2
345.14438	2.5
347.15872	1.8
353.15359	2.0
355.16650	5.9
357.14459	3.7
365.15036	3.2
369.14615	1.9
373.14014	2.7
375.15518	17.1
383.16074	4.1
393.14517	3.3
399.15521	18.5
401.16916	2.3
403.14758	2.2
408.91833	1.6
411.15469	16.3
429.16568	53.6
430.16992	3.7
447.17609	93.3
448.17880	4.0
465.18698	100.0
466.19214	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	465.1391
Annotation	Lanceolin
Peak:m/z	Relative Intensity
52.97588	0.4
53.03942	0.9
55.05516	0.9
57.03435	1.3
61.02927	2.6
65.03948	0.8
67.05495	1.8
69.03429	4.8
69.07061	0.7
70.06746	1.4
71.04990	0.6
72.08164	0.9
73.02914	1.3
76.83294	0.4
78.49775	0.4
79.05493	1.3
80.19425	0.4
81.03413	3.2
81.07064	1.9
83.04996	1.1
84.04486	0.5
84.08157	0.5
85.02901	9.3
86.09693	1.1
87.04462	0.8
89.03915	3.3
91.01731	0.4
91.03954	1.5
91.05479	1.5
93.07060	2.1
95.04955	0.9
95.08610	1.4
97.02875	5.2
98.21129	1.0
99.04471	0.9
100.07634	0.5
105.07027	1.6
107.04942	1.7
107.08600	1.3
108.02316	0.4
109.02882	1.6
109.10139	1.0
110.07163	0.5
111.00785	0.6
111.04443	1.3
117.03364	4.1
117.07047	0.8
119.04939	0.5
119.08587	1.6
120.08124	0.5
121.02864	0.8
121.10112	1.0
123.04436	1.9
124.01562	1.8
127.03899	2.0
127.13488	0.5
131.08604	0.6
135.04414	9.4
136.05223	0.8
136.06175	15.8
136.88260	0.4
137.02316	1.2
137.05853	0.7
139.03879	2.8
145.02843	7.8
145.04790	0.8
145.10066	1.0
147.04393	0.9
152.01035	16.6
152.02255	0.9
153.01825	4.6
163.03899	37.1
165.01881	0.5
165.05524	0.6
167.03394	65.5
168.03706	0.5
169.06470	1.2
170.00655	0.8
170.02100	17.2
173.59970	0.5
175.03871	0.6
177.05531	0.6
178.02626	1.6
190.10880	0.6
193.05002	3.3
197.05959	1.7
201.05417	0.8
205.12315	0.5
208.75310	0.4
211.07530	0.8
214.06133	0.6
225.05551	2.3
229.04970	1.4
239.07036	1.3
242.05695	0.6
243.06467	0.5
253.04953	4.3
257.04309	0.6
257.08090	1.2
267.06436	1.4
270.05142	1.1
271.05881	1.3
273.03824	1.1
285.04337	1.0
285.07556	5.7
288.06198	2.7
303.04977	15.6
303.08548	100.0
304.05518	0.8
304.08859	2.9
315.04919	0.9
330.19363	0.6
384.21295	3.5
465.11554	2.2
465.17032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
61.02900	1.7
61.98518	1.0
67.05482	4.1
67.63242	0.9
69.03404	1.2
69.07060	1.9
70.06561	1.5
71.58547	1.3
79.05474	2.9
81.03403	1.8
81.07042	8.2
83.04998	1.3
84.08103	1.4
85.02879	3.1
86.09686	2.0
86.65311	0.9
91.05461	3.9
91.31923	0.9
93.07035	3.3
95.04967	1.5
95.08605	2.6
97.02875	1.3
105.07022	4.9
107.08584	2.7
109.02830	1.0
109.10140	1.5
119.08562	3.7
121.10141	4.2
123.04415	2.0
123.11701	3.0
131.08559	1.6
133.10152	1.3
136.06131	6.7
138.48642	1.0
145.10162	1.3
147.04353	1.1
147.11713	5.0
165.12697	2.4
177.05473	2.1
185.04230	1.3
200.93417	1.0
201.05267	2.2
203.42273	1.1
216.07571	15.0
217.08362	16.7
227.05283	2.8
246.68091	0.9
260.12686	1.5
267.11240	1.9
267.15875	3.3
269.32474	1.1
271.04199	6.8
285.12323	2.4
285.16922	8.8
303.04987	10.6
361.12579	1.2
379.13635	8.1
384.21738	1.9
421.14670	54.1
422.15179	2.3
447.18954	1.6
465.13651	100.0
466.13947	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95785	0.4
53.03942	0.4
56.05014	0.3
56.96563	1.0
57.03418	0.9
60.04525	0.3
61.02912	0.6
68.99787	0.4
69.03420	1.5
69.11175	0.3
70.06585	0.8
70.13651	0.3
71.57498	0.5
72.08155	0.3
73.02918	0.8
74.97566	0.3
75.49116	0.3
77.31694	0.3
81.03428	0.7
84.04511	0.5
84.08134	1.2
85.02429	0.6
85.02906	7.1
86.09658	0.4
88.03969	0.4
91.05470	0.9
93.07066	0.4
95.01324	2.7
95.04983	0.4
97.02891	3.2
98.03233	0.4
98.97569	0.8
107.08601	0.4
109.02872	0.9
110.07172	0.4
113.02371	0.4
116.98647	0.8
123.04431	2.2
127.03913	100.0
128.04239	1.1
128.98671	0.5
136.06192	0.5
137.05971	0.7
138.06335	0.4
139.03900	0.6
141.01822	6.2
145.04973	1.5
153.01823	0.4
159.02953	0.4
163.02641	0.4
163.03943	0.7
165.00697	0.4
167.07227	0.3
177.00719	0.4
181.08617	0.4
182.08916	0.3
191.03613	0.4
229.04961	0.6
237.02844	0.9
253.07492	0.7
257.04373	0.5
263.84384	0.4
271.06049	0.7
272.06873	0.5
284.85669	0.4
289.09015	0.9
303.04974	7.4
452.90167	0.4
475.13223	0.4
483.99545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1178
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
55.05485	0.3
62.92706	0.3
67.01828	0.5
67.05505	0.6
69.03402	0.5
69.07054	0.4
69.26824	0.7
69.27233	3.4
79.05464	1.1
81.07034	1.0
84.57339	0.3
85.24944	0.3
91.05488	2.3
93.07022	0.9
95.04961	0.5
95.08540	0.5
102.04655	1.3
105.07008	0.9
110.03663	0.8
115.15207	0.3
117.03329	0.4
119.04907	1.1
121.10147	0.5
123.04373	0.4
130.04111	1.4
131.04883	0.6
131.08569	0.4
132.05707	0.7
133.06514	0.5
133.10103	0.6
134.92322	0.3
135.04375	0.9
136.05165	1.4
137.05943	1.3
145.02820	0.6
146.03632	3.0
147.04402	3.1
148.05199	3.9
153.01833	6.2
161.05991	2.8
162.06827	0.6
163.03856	1.3
203.03401	5.2
213.05461	0.7
220.13756	0.4
229.04955	7.0
230.05598	0.4
241.05005	1.6
242.05734	12.2
243.06033	0.4
253.04933	3.2
255.06471	0.7
257.04446	49.4
258.05225	18.5
259.05762	0.9
269.04520	1.8
270.05173	2.1
271.06061	1.4
283.06027	0.8
285.03912	8.9
286.04709	32.5
287.05466	15.6
288.05954	0.5
297.03970	5.4
299.05576	1.8
300.06213	0.5
303.05002	1.4
311.05554	0.5
315.05048	0.4
323.05569	0.5
327.04871	2.0
341.06631	1.8
373.06985	0.9
375.08472	0.5
387.08630	0.8
391.08026	0.5
403.08163	0.9
404.09146	0.4
415.07935	0.5
432.08234	2.1
435.10754	4.6
447.10764	15.4
447.17020	0.8
465.11816	100.0
466.12119	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	465.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43953	0.3
60.71707	0.3
61.02305	0.4
61.09436	0.3
63.54716	0.3
65.03914	0.4
67.05468	0.7
67.84991	0.3
71.58611	0.3
71.59019	0.7
79.05454	0.6
81.03375	0.5
81.07021	1.3
83.08594	0.4
91.05465	2.7
93.07011	1.6
95.04958	0.5
95.08578	0.6
97.02850	0.6
102.04653	1.1
105.06996	1.0
107.08567	0.6
109.06451	0.4
109.10102	0.3
110.03635	0.7
119.04916	1.9
119.08515	0.6
121.10121	0.8
130.04134	2.2
131.04881	1.0
132.05653	1.0
133.10089	0.4
135.04372	1.3
136.05122	1.2
137.05948	1.0
145.02921	0.4
146.03629	3.5
147.04388	2.4
148.05180	4.1
153.01836	6.1
161.05945	3.3
162.06732	0.8
163.03877	1.8
171.02841	0.5
197.06252	0.5
203.03387	6.2
213.05347	0.8
225.66312	0.4
229.04929	7.1
241.04962	1.2
242.05719	14.1
253.04959	3.4
257.04437	52.2
258.05203	19.0
259.05704	0.5
269.04370	2.1
270.05261	2.0
271.06003	1.8
283.06140	0.7
285.03928	8.5
286.04715	31.2
287.02219	0.8
287.05453	16.2
288.05646	0.4
295.05960	0.8
297.03949	6.0
299.05627	1.8
301.03247	0.4
303.05032	1.5
311.05344	0.7
327.05029	1.8
341.06427	1.2
359.09073	0.8
361.06772	0.6
373.07343	0.8
375.08563	0.5
387.08667	0.9
389.06577	0.5
391.08212	0.8
403.08441	1.7
415.08167	0.6
421.09363	0.4
431.08191	0.5
432.08365	1.9
435.10727	4.3
447.10736	16.9
447.17001	0.8
448.11246	0.7
465.11807	100.0
466.12030	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	465.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
55.35839	0.1
56.05035	0.1
56.96567	0.2
58.59649	0.1
64.24893	0.1
65.03936	0.3
65.19229	0.1
67.01882	0.1
68.99780	0.9
69.03418	0.3
70.06586	0.9
71.34467	0.2
71.34803	0.3
72.08154	0.3
74.06059	0.2
81.03398	0.6
84.04510	0.3
84.08127	0.6
85.02909	0.3
86.06032	0.2
86.09686	0.3
88.03977	0.2
91.05476	0.3
92.11076	0.1
93.03378	0.4
95.04948	0.5
97.02882	0.2
105.07084	0.1
109.02847	0.7
110.03649	0.1
110.07191	0.2
111.00806	1.2
115.05445	0.2
119.08504	0.2
121.02850	1.3
123.04406	1.7
127.03894	0.5
129.10254	0.3
131.04858	0.2
133.06421	0.2
135.04390	0.4
137.02325	4.4
137.05991	0.2
139.03868	0.3
145.06514	0.2
147.04398	0.4
149.02316	0.6
153.01819	5.1
155.04889	0.4
155.06085	0.2
156.12531	0.2
161.05974	0.5
163.03928	1.1
165.01828	2.6
166.02623	0.3
171.02800	0.2
173.05989	0.9
177.01840	0.3
177.05414	0.3
179.03336	0.3
183.02898	0.8
183.04420	0.5
187.03888	0.6
191.03363	0.3
195.02827	0.4
201.05453	2.5
205.04887	0.3
215.03378	0.3
218.27109	0.2
219.02878	0.5
219.06534	0.4
223.02336	0.2
228.04259	0.3
229.04953	6.2
233.04332	0.1
239.03500	0.2
247.06010	1.0
257.04431	3.9
271.05881	0.2
272.06982	0.2
274.04645	0.9
275.05292	0.2
279.04904	0.3
284.73495	0.2
285.03934	1.8
297.05975	0.2
302.04156	0.2
303.04968	100.0
304.05325	1.6
343.96616	0.2
447.17981	0.2
465.10135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
51.65090	0.2
53.03934	0.4
53.17687	0.2
55.01867	0.5
57.03428	0.9
57.38713	0.2
61.02673	0.3
61.02924	2.3
65.03934	0.3
67.01851	0.3
68.99789	0.9
69.03429	3.3
70.06559	0.3
70.97896	0.7
71.04981	0.4
72.08167	0.3
73.02897	0.9
81.03433	1.3
83.50450	0.2
85.02907	8.5
87.04473	0.5
88.03998	0.3
91.03957	1.2
93.03376	0.4
95.04951	0.5
97.02896	2.9
99.04431	0.5
109.02868	1.2
111.00799	1.2
115.11272	0.3
118.50507	0.3
121.00936	0.3
121.02840	1.3
122.18719	0.2
123.04465	0.4
127.03911	2.0
137.01370	0.4
137.02347	4.8
137.03337	0.2
145.02837	0.5
145.04926	0.9
145.06531	0.4
149.02333	0.6
153.01831	5.4
155.04912	0.4
161.05972	0.3
163.03928	0.8
165.01842	2.7
167.03436	0.3
173.06001	0.8
177.05461	0.7
178.05951	0.3
183.02919	1.2
183.04393	0.4
186.72400	0.2
187.03970	0.5
195.02847	0.4
201.05457	2.8
202.05820	0.4
213.05414	0.4
219.02882	0.3
228.04256	0.4
229.04953	5.4
247.05980	1.1
257.04431	3.5
274.04715	1.1
285.03934	1.6
301.07364	0.3
302.03992	0.3
303.04993	100.0
304.05319	2.3
315.05078	1.0
315.23050	0.3
327.04962	0.4
345.05914	0.9
369.06094	0.3
465.10159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03937	0.6
55.01871	0.5
57.03440	1.6
58.96274	0.2
61.02937	2.0
65.03932	0.3
68.99798	0.7
69.03082	0.4
69.03429	6.7
70.06580	0.3
70.62821	0.6
70.63211	0.5
71.01355	0.5
71.04983	0.3
72.67234	0.2
73.02917	2.4
76.75581	0.2
79.05467	0.3
81.03419	2.6
81.07085	0.3
83.01336	0.3
85.01112	0.4
85.02908	17.2
86.09683	0.3
87.04481	1.4
90.74161	0.2
91.03938	0.7
91.05466	0.2
93.03397	0.4
94.39157	0.2
95.04980	0.3
97.02892	4.6
99.04446	1.1
101.02416	0.4
102.03739	0.4
102.05511	0.2
103.03967	0.5
109.02886	1.9
111.00805	1.3
115.03949	0.6
115.57407	0.2
121.02881	1.5
123.04430	0.4
127.03927	4.2
137.02353	3.4
145.02866	0.2
145.04968	1.6
145.06485	0.4
149.02319	0.5
153.01817	5.5
161.06058	0.3
163.03871	1.1
165.01848	2.1
166.02583	0.3
167.03349	0.3
173.06018	0.8
179.03418	0.2
183.02888	1.0
183.04385	0.5
187.03938	0.5
195.02832	0.5
201.05490	2.8
205.06451	0.7
217.04985	0.3
228.04254	0.4
229.04979	5.6
247.06047	0.7
257.04407	3.2
273.04001	0.4
274.04761	1.3
275.05493	0.5
285.03885	1.8
287.05594	0.3
301.03500	0.5
302.04184	1.2
303.04999	100.0
304.05359	1.4
313.03378	0.3
327.04956	0.6
345.06152	1.5
465.10297	1.0
465.22952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03431	0.7
58.59742	0.6
61.02916	1.8
68.99780	1.3
69.03428	4.3
69.52393	5.5
69.52705	0.9
81.03418	1.9
85.02427	0.8
85.02908	9.8
85.08279	0.7
97.02905	3.4
98.20943	2.1
109.02860	1.1
111.00815	0.8
119.73630	0.7
121.02834	1.3
127.03918	2.0
129.23103	0.6
137.02344	4.1
140.03458	0.7
145.04959	1.1
153.01822	3.9
163.03880	0.8
165.01828	2.0
178.46776	0.7
183.02913	0.8
187.04106	0.7
201.05461	2.1
229.04945	4.7
257.04395	2.4
274.04724	0.8
285.03986	1.3
303.04987	100.0
304.05225	2.3
319.25018	0.7
334.12180	0.6
341.25803	0.7
355.38425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50970	0.4
57.03432	0.9
61.02925	5.4
62.97567	0.4
65.77831	0.4
68.99776	0.9
69.03420	1.1
69.24806	4.9
73.02912	1.2
81.03392	1.0
85.02901	7.3
91.03957	3.2
93.63769	0.4
95.05029	0.4
97.02879	2.8
97.03423	0.4
97.69757	0.4
109.02843	0.8
111.00773	0.8
115.51887	0.4
121.02823	0.7
121.23241	0.5
127.03934	1.0
137.02322	3.7
145.04980	1.1
149.02373	0.5
153.01830	4.9
155.04947	0.5
163.03918	0.5
165.01836	1.7
173.06052	0.6
183.02936	1.1
201.05495	2.1
229.04947	5.0
247.05959	0.9
257.04425	3.1
264.57523	0.4
264.66162	0.4
274.04703	0.7
285.03842	1.6
303.04980	100.0
304.02365	0.4
304.05179	2.2
315.04926	1.2
345.06265	0.7
369.05865	0.6
380.66690	0.4
384.82840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
61.02931	4.9
68.99792	1.3
69.03428	0.9
70.05096	3.2
70.05480	1.6
73.02922	1.9
85.02908	4.7
91.03963	3.8
92.32015	0.7
97.02885	2.1
121.02874	0.9
137.02313	3.9
145.04980	1.4
153.01837	5.5
165.01848	2.6
174.14565	0.8
201.05498	2.5
229.04959	5.0
247.05832	0.9
257.04498	2.7
274.04691	1.0
285.04053	1.7
303.04993	100.0
304.05301	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03941	0.1
57.43248	0.1
65.03937	0.2
66.51927	0.1
67.01842	0.1
68.02533	0.1
68.99781	1.1
69.03414	0.2
69.79693	0.5
69.80108	0.2
70.06580	0.1
72.08125	0.1
81.03396	0.3
84.08117	0.2
85.02863	0.2
93.03391	0.4
93.92413	0.1
95.04942	0.4
97.02884	0.1
98.21464	0.2
109.02901	0.6
110.03703	0.1
111.00809	1.2
115.05444	0.1
115.21695	0.1
117.06964	0.1
119.08498	0.1
121.02867	1.3
123.04431	0.4
127.03855	0.3
135.04370	0.2
137.02335	4.3
137.03400	0.2
145.06459	0.2
147.04349	0.1
149.02350	0.6
153.01822	5.1
155.04933	0.4
157.06482	0.2
159.04378	0.1
160.32277	0.1
161.05992	0.5
163.03865	0.7
165.01826	2.7
166.02585	0.2
167.03389	0.1
171.04352	0.1
173.05989	0.7
177.01828	0.1
177.05444	0.2
179.03360	0.3
183.02873	0.9
183.04413	0.4
187.03912	0.5
191.03467	0.2
191.07063	0.2
195.02834	0.4
201.05455	2.7
205.01233	0.1
205.04919	0.3
207.02956	0.2
211.03912	0.2
213.05486	0.2
215.03395	0.2
219.02919	0.2
219.06535	0.4
228.04179	0.4
229.04947	6.3
230.05327	0.2
239.03476	0.2
246.05212	0.2
247.06001	0.9
257.04434	3.8
274.04663	1.2
275.05469	0.3
285.03943	1.7
303.04971	100.0
304.05341	2.2
308.07794	0.1
465.10593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
56.05026	0.9
57.03440	0.6
58.06580	0.6
60.07883	0.4
60.08162	6.8
61.02924	0.5
65.49033	0.3
67.05507	1.4
69.03429	0.3
69.07056	0.7
69.77590	0.6
69.78009	1.3
70.06579	0.8
71.04982	0.5
71.07365	3.2
72.08123	0.5
75.25555	0.3
79.05479	0.8
81.03417	0.6
81.07051	1.4
83.04983	0.6
84.08142	0.7
85.02892	0.7
86.09704	34.7
91.05479	1.4
93.07030	1.4
94.07346	0.3
95.04946	0.8
95.06049	0.3
95.08598	0.8
97.02888	0.7
98.98473	3.2
104.10739	4.0
105.06998	0.9
107.08559	0.8
119.08532	0.7
123.04406	0.5
124.92551	0.3
125.00001	22.2
131.04880	0.3
135.11691	0.5
136.06203	1.8
137.02356	0.4
137.05934	0.4
143.01044	0.6
145.10106	0.3
147.04411	0.4
149.05957	0.4
153.01822	0.5
154.08629	0.4
158.11777	0.7
168.50931	0.3
173.90388	0.3
176.14244	0.5
177.05438	0.5
184.07333	100.0
185.07631	0.5
295.14035	0.3
302.04004	1.1
302.07358	0.5
303.04788	3.6
317.06427	1.1
318.06885	2.7
446.22845	0.8
464.17926	0.8
464.24207	1.2
464.29462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01860	3.0
55.05488	1.6
57.03417	5.5
61.02914	3.9
65.03925	2.4
67.05490	1.5
69.03429	8.9
70.06580	5.7
70.88700	4.2
73.02914	21.0
73.27605	1.5
76.02218	3.3
78.04726	1.9
79.05486	2.8
81.03396	3.5
81.07046	1.6
84.04485	4.1
84.08124	4.6
85.02908	23.1
86.09683	5.7
87.04459	2.1
89.03915	11.1
91.03951	2.6
91.05464	9.5
93.03371	2.1
93.07032	3.6
95.04951	5.1
97.02886	17.6
103.05455	5.3
106.04153	4.5
107.04958	8.3
109.02866	3.3
111.00742	1.6
115.03942	8.0
117.03377	33.2
117.07025	2.1
119.04939	5.2
120.08112	4.5
121.02869	15.9
121.06490	5.7
123.04440	2.2
127.03922	9.1
130.05023	1.5
130.06494	2.5
131.04912	3.3
132.08110	1.8
133.04958	11.4
134.03668	2.3
135.04384	5.6
137.02307	4.1
137.05931	3.6
138.05527	1.6
144.36177	1.4
145.02838	70.1
145.04846	9.9
146.03204	2.8
146.06039	2.0
147.04417	5.1
147.06822	2.9
149.05980	19.2
150.07828	1.7
151.07535	4.3
153.01791	3.6
153.05450	19.4
153.09125	2.2
153.86264	1.4
156.06554	3.6
158.03595	2.4
162.09152	8.4
163.03893	6.6
163.06023	4.6
165.05467	3.4
167.07011	15.9
171.22293	1.5
173.06003	6.7
174.05557	2.4
175.03905	3.5
175.06271	4.7
177.05464	100.0
178.05833	3.4
179.04921	1.5
179.07007	7.6
180.07797	5.5
180.10196	2.5
181.08553	4.0
182.09467	2.0
186.03172	3.3
186.05484	1.9
186.98996	1.8
190.08647	9.5
191.07054	6.4
192.07855	5.1
194.12483	2.6
201.05463	72.1
202.04057	1.8
203.05746	6.2
207.06514	3.1
208.09685	3.5
209.08104	22.3
210.08763	5.2
213.05415	2.9
218.08145	8.5
223.05954	1.8
229.04996	4.1
231.06512	4.0
236.09149	30.6
257.04547	3.3
259.11020	3.0
268.16180	1.8
303.04977	81.8
315.13385	3.2
335.09097	2.0
355.11789	13.2
367.11694	5.1
385.12390	1.8
399.36703	1.5
429.16293	2.1
431.91849	1.5
447.17596	2.9
464.18481	2.4
465.18713	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	464.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
53.31497	0.8
55.01856	1.2
55.05486	1.0
55.07591	1.0
56.96550	1.3
57.03429	1.6
61.02911	1.3
63.02371	1.2
65.03938	1.2
69.03406	2.5
69.58746	7.6
70.06577	2.3
73.02922	4.3
76.02243	1.8
78.04696	1.2
79.05479	1.9
81.03403	2.6
82.40333	0.9
84.04494	1.4
84.08138	2.5
85.02906	6.2
86.09689	1.9
88.03995	1.9
89.03917	10.7
91.05051	1.0
91.05483	10.5
93.03397	2.3
93.07047	2.0
95.04964	2.9
96.05235	0.8
97.02905	4.3
98.21596	0.9
103.05457	4.2
106.04175	3.4
107.04966	6.8
112.19348	1.0
115.03926	1.8
115.05452	1.7
116.60365	1.0
117.03374	33.0
117.06982	1.0
119.04952	3.9
119.08560	0.9
120.08085	1.7
121.02868	3.3
121.06504	5.7
123.04426	2.1
127.03886	1.5
130.06487	1.3
131.04915	4.0
131.07295	1.1
132.05696	1.8
133.04973	3.2
133.06447	1.2
134.03645	3.2
135.04407	5.9
137.02319	1.9
137.05989	2.8
143.04742	0.9
145.02844	68.0
145.06471	1.5
146.03178	1.5
146.05975	2.1
147.04417	5.0
147.06775	3.7
148.07585	1.0
149.05977	18.2
150.07776	1.2
151.07523	4.9
153.01816	3.1
153.05457	4.3
153.09114	1.9
154.06253	1.1
155.07011	1.0
156.06532	4.0
158.03592	2.0
159.04353	1.1
160.05197	2.2
161.06009	1.2
162.03212	1.2
162.09145	7.6
163.03917	6.4
165.05461	1.8
167.07016	14.9
171.23795	1.0
173.05968	4.8
174.05516	2.4
175.03941	4.3
175.06270	4.3
176.07066	1.5
177.05475	100.0
178.05820	2.8
179.04713	1.3
179.07076	10.4
180.07791	5.6
180.10182	2.1
181.08618	4.1
182.09319	1.5
186.03215	1.9
186.05481	1.8
186.99191	1.2
187.03964	1.1
187.99352	0.9
190.08604	6.5
191.07079	6.3
191.08559	1.0
192.06480	4.2
192.07874	3.1
194.49535	0.9
198.11732	1.0
201.05467	67.0
202.05795	1.6
203.05795	4.7
204.06512	1.8
205.00311	1.1
207.06490	2.9
208.09668	2.9
209.08101	21.8
210.08836	5.1
213.05447	3.2
218.08133	8.8
229.04910	2.9
231.06502	6.0
236.09171	37.5
241.09717	0.9
255.60719	0.9
257.04465	1.5
259.11005	1.2
269.03506	1.1
287.04352	1.3
292.07413	1.0
302.07190	1.3
303.04993	56.1
315.13330	3.5
316.14188	1.2
335.09192	2.7
355.11771	13.0
356.11621	0.9
367.11823	6.3
385.12613	1.4
395.06558	1.5
428.16403	1.0
429.16641	1.0
447.17404	1.9
465.18604	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
56.07802	1.4
56.34304	1.5
57.03431	5.3
61.02921	5.7
66.47649	1.4
68.37395	1.5
69.03425	14.7
70.82771	4.6
71.01332	2.5
73.02915	7.1
78.01111	1.4
81.03413	7.5
83.52769	1.5
85.02905	100.0
85.42267	1.6
91.03946	4.8
91.05482	65.9
95.01328	28.1
97.02897	32.0
99.00815	2.8
99.04464	3.5
103.03942	5.1
109.02891	7.4
113.02361	5.7
127.03917	23.6
131.03401	4.1
141.01828	74.7
145.04958	59.5
146.42853	1.7
159.02890	14.8
163.06003	28.5
177.03989	3.8
181.17711	1.5
303.04889	23.6
303.07785	1.7
321.08264	2.9
350.37833	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.3
55.05495	1.6
56.05029	1.9
56.96558	1.9
57.03432	9.8
57.73993	1.1
59.04270	0.8
60.04518	0.9
61.02919	5.1
63.02365	1.5
65.03934	2.2
67.05495	2.3
67.21426	0.9
68.99805	0.8
69.03423	15.0
69.07082	1.4
70.06583	7.3
70.92937	2.0
70.93274	1.4
71.01333	0.9
71.04974	1.2
72.04523	1.1
72.08138	2.8
73.02917	26.5
76.02216	3.6
78.04704	1.5
79.05482	3.6
81.03418	6.2
81.07082	2.4
83.04953	1.5
84.04491	4.5
84.08141	6.6
85.02902	31.5
86.09707	6.4
87.04460	2.5
88.03967	1.9
89.03912	14.8
91.03962	1.6
91.05470	9.6
93.03365	2.7
93.07040	3.8
95.04955	5.2
97.02888	21.7
99.04449	2.3
102.05535	1.2
103.05473	4.4
105.06979	1.4
105.17707	1.0
106.04159	2.2
107.04945	9.1
109.02892	2.5
110.07180	1.8
111.00797	1.0
111.04420	1.6
115.03926	13.6
115.05387	1.4
116.01629	1.7
117.03376	33.5
117.07001	1.3
119.04935	4.2
119.08602	1.2
120.08107	5.6
121.02863	16.5
121.06480	7.7
123.04432	2.0
124.05208	1.4
124.07489	1.1
125.05994	2.1
127.03908	11.8
129.10222	2.0
130.04991	1.2
130.06572	1.4
131.04956	4.7
132.04417	1.0
133.04971	16.2
133.06480	1.6
134.03630	2.8
135.04420	5.8
135.07970	0.9
136.05211	1.0
136.07565	1.6
137.02309	2.9
137.05965	3.9
138.05479	1.0
140.04642	1.3
145.02841	77.3
145.04858	13.7
145.06473	1.8
147.04404	6.5
147.06761	3.9
148.05147	2.3
148.07564	1.8
149.01204	1.2
149.05965	19.5
150.07742	3.3
151.03923	1.0
151.07552	4.1
153.01830	2.9
153.05460	32.1
155.06981	1.3
156.06532	5.7
158.03593	2.6
158.05966	1.4
159.04286	1.1
160.05157	1.7
161.05957	3.0
162.02113	1.1
162.09140	9.7
163.03886	6.7
163.06020	4.1
163.07362	1.8
164.07095	1.2
165.01788	1.6
165.05466	3.1
167.07021	15.5
170.08038	1.3
173.05949	6.8
174.05498	1.9
175.03880	4.2
175.06290	4.5
175.07555	1.5
177.05466	100.0
178.05846	2.1
179.04849	1.4
179.07072	9.7
180.07800	5.7
180.10239	2.8
181.04863	1.5
181.08519	5.0
182.09412	2.6
186.03151	3.5
186.05421	1.8
186.99156	2.6
187.07359	1.5
190.08643	7.5
191.07123	5.5
192.06393	2.5
192.08031	5.0
193.04996	1.0
193.12292	2.1
194.12633	1.7
201.05455	70.9
203.05719	4.9
204.06514	1.4
207.06528	2.9
208.09828	4.6
208.11496	1.1
209.08078	24.0
209.09943	1.8
210.08847	5.1
213.05432	4.1
217.07108	1.2
218.08118	8.8
219.06351	1.4
219.08388	1.0
223.05957	1.4
229.04991	3.6
231.06503	5.8
235.07483	1.6
236.09161	35.4
238.10788	1.3
241.07043	2.1
257.04370	1.7
259.08270	1.9
259.11075	2.7
263.06979	1.4
269.03171	1.2
285.03873	1.5
287.04462	1.9
302.12503	1.1
303.04968	58.1
315.13232	4.2
316.14032	1.1
319.04562	1.1
355.11710	11.9
367.11594	5.3
385.12878	1.4
416.17386	1.4
447.17776	1.5
464.18677	2.1
465.18408	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.1
53.03946	3.1
55.01875	4.5
55.05507	28.6
57.03426	8.6
57.07077	2.8
57.92743	2.1
65.03928	3.9
65.26691	1.8
67.05502	72.3
69.07066	27.2
69.90001	9.9
69.90406	4.1
71.04984	6.5
71.52239	2.1
72.67365	1.9
79.05488	59.4
81.03448	1.9
81.06583	3.9
81.07054	76.8
83.04977	7.2
83.08610	17.8
85.06534	5.4
91.05476	77.9
93.07043	61.7
95.04963	14.9
95.08057	3.2
95.08606	38.3
97.06528	5.4
97.10153	5.0
103.05443	3.5
105.07028	74.2
107.04942	7.7
107.08588	28.2
109.06517	7.9
109.10136	13.2
111.08090	4.9
115.05473	5.1
117.07017	29.9
119.04966	2.1
119.08579	38.4
121.06525	10.1
121.10143	21.7
123.08085	2.5
128.06224	4.8
129.07004	25.3
130.07738	3.4
131.08568	60.9
133.06477	4.2
133.10138	22.1
135.08067	6.8
135.11691	7.4
137.09607	2.6
141.06984	7.6
142.07765	5.0
143.08554	25.3
145.06470	3.3
145.10121	43.2
145.36331	2.2
147.08031	7.8
147.11705	13.1
149.09624	4.6
149.13245	8.9
154.07880	3.1
155.08530	11.7
157.10100	16.2
159.08031	4.2
159.11681	21.8
161.09569	2.7
161.13264	5.7
163.11139	4.6
167.08557	5.4
168.33730	2.2
169.10117	11.3
171.11725	14.0
173.09686	4.0
173.13275	8.9
175.11186	4.3
177.12863	2.5
179.08669	2.5
181.10110	8.6
183.11655	9.5
185.13277	5.0
187.11133	4.6
187.14766	3.8
193.10141	2.2
195.11719	6.2
197.13277	5.5
199.11171	4.4
199.14787	2.2
201.12740	3.7
209.13353	2.9
211.14818	6.8
213.12840	2.4
219.13803	5.1
223.14767	3.8
225.16444	3.8
227.14417	2.8
233.15288	4.6
247.17128	2.4
255.17336	3.1
259.16998	3.3
273.18546	4.8
275.19958	2.3
307.24304	3.0
307.27747	2.4
325.25244	9.2
325.61386	2.2
335.23801	10.6
343.26294	17.8
353.24731	44.2
371.25781	48.2
389.26846	44.5
417.29822	2.8
427.28479	4.5
445.29456	65.0
463.30374	100.0
464.30978	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01851	3.5
55.05271	1.5
55.05510	21.1
57.03429	6.2
57.07062	3.5
57.81732	1.3
65.03931	4.3
67.05500	84.1
69.07066	30.1
70.02489	7.2
70.02766	1.9
70.07402	1.6
71.04980	7.4
71.08633	1.7
74.30504	1.2
77.03897	1.8
77.26962	1.4
79.05489	54.8
81.03408	3.6
81.07052	100.0
82.07385	1.7
83.04980	6.6
83.08613	17.8
85.06529	4.3
91.05477	32.6
93.07038	75.5
95.04979	11.4
95.08057	2.1
95.08604	26.3
97.06520	14.7
97.10159	1.9
97.83701	1.3
98.20894	1.8
99.08080	6.1
103.05386	1.5
105.04495	1.7
105.07018	18.4
107.04946	2.5
107.08589	44.4
109.06498	5.2
109.10130	5.4
111.08079	7.3
113.00029	1.8
117.07004	11.1
119.08556	5.8
121.06472	2.8
121.10141	26.2
125.09624	2.6
129.07068	2.2
131.08549	13.9
132.56671	1.4
133.10112	14.4
135.08025	4.2
135.11694	9.8
139.11183	3.5
145.06554	1.5
145.10138	1.9
147.11697	3.6
149.13246	52.1
159.11685	19.9
163.76369	1.5
167.14302	2.4
177.12749	10.5
184.73898	1.3
195.13802	16.1
213.14911	1.8
219.13852	2.5
227.12804	2.0
301.83768	1.5
343.25943	1.9
353.24802	3.4
371.25854	4.9
389.26791	5.0
445.29312	4.5
463.30508	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	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36673	2.3
53.03951	3.7
55.01873	3.9
55.05513	34.4
57.03446	11.5
65.03941	5.5
65.37807	2.1
67.05505	82.7
68.50558	2.1
69.06728	3.0
69.07069	34.6
69.13959	2.3
70.20366	2.4
71.04985	6.0
71.08632	4.1
78.96739	2.9
79.05492	81.9
81.07055	97.0
83.04971	9.6
83.08614	15.6
85.06529	6.5
91.05482	100.0
93.06479	4.7
93.07042	78.0
93.65549	2.4
95.04967	17.1
95.08606	53.2
97.06509	12.5
97.10147	5.2
98.14153	2.1
99.08099	5.0
103.05463	4.3
103.85958	2.4
105.07030	87.5
107.04948	9.1
107.08596	38.4
108.17523	2.1
109.06516	11.4
109.10153	19.1
111.08064	3.6
113.00035	3.7
115.05458	4.0
116.06284	3.6
117.07014	38.9
119.07788	4.2
119.08588	55.1
121.06488	10.8
121.10139	27.5
123.08100	2.7
123.11705	3.6
124.39771	2.3
128.06252	4.4
129.07010	28.0
131.08571	67.2
133.06496	5.8
133.10118	41.9
135.08046	8.8
135.11720	13.5
137.09677	3.7
141.07007	13.4
142.07777	5.2
143.08560	27.4
145.06485	5.4
145.10127	40.4
147.08025	9.0
147.11668	8.9
147.39925	2.3
149.09631	9.1
149.13211	12.3
151.11217	4.7
155.08578	14.4
157.10089	14.5
159.11696	23.6
161.09579	4.9
161.13255	5.5
163.14749	2.5
167.08588	5.3
169.10129	12.8
171.11699	15.6
172.37115	2.8
173.09636	3.4
173.13245	8.0
177.12740	3.7
179.14348	4.7
181.10155	6.2
183.11664	7.4
183.92503	2.6
185.09691	2.5
185.13261	9.8
187.11205	4.3
187.14745	5.4
195.11720	6.0
195.13643	2.7
197.13264	10.6
199.05899	2.5
199.14832	6.3
201.12767	3.5
201.16400	2.8
202.80852	2.4
209.13220	6.8
211.14801	8.6
213.12848	3.9
215.14207	4.1
223.14972	4.6
225.16493	3.2
227.14296	3.2
233.15443	4.6
243.17451	4.8
245.15442	3.0
247.16922	6.7
261.18613	4.5
273.18372	5.6
277.21564	4.0
325.25266	10.8
335.23679	12.8
343.26370	22.3
350.80383	2.7
351.25290	7.0
353.24747	59.1
371.25800	70.3
389.26926	60.1
427.28394	8.9
445.23395	5.7
445.29501	97.5
446.29614	3.6
463.30579	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.5
55.01865	2.7
55.05511	26.6
57.03440	13.0
57.07064	2.0
60.15659	1.9
65.03941	4.3
67.05505	86.8
69.07061	27.4
70.20671	8.7
71.04975	7.0
75.81107	2.3
79.05493	68.8
81.03444	2.2
81.07053	81.6
83.04966	7.2
83.08631	12.5
85.06490	4.6
91.05480	100.0
91.24520	2.1
93.07039	68.0
95.04973	16.5
95.08601	51.4
97.06523	6.3
97.10158	5.5
99.08083	4.2
103.05450	6.2
105.04474	2.7
105.07028	96.2
107.04977	10.0
107.08593	36.7
109.06525	9.4
109.10163	19.1
110.19493	2.1
111.08054	7.4
115.05457	6.6
115.25397	2.0
116.06240	3.3
117.07013	46.1
119.04955	2.2
119.08576	54.9
121.06496	8.5
121.10143	25.8
123.08018	5.6
123.11726	2.9
125.09631	3.9
128.06192	5.3
128.89983	2.4
129.07011	29.1
130.07738	2.7
131.08569	71.4
133.06490	5.6
133.10135	31.5
135.08046	8.3
135.11713	11.7
137.09633	4.4
138.69847	1.7
139.05397	1.8
139.11203	2.9
141.06958	12.5
142.07784	4.9
143.08545	27.3
145.06535	4.0
145.10127	42.6
145.11259	2.2
147.08054	11.5
147.11687	11.0
149.09621	7.1
149.13249	6.8
151.11195	4.8
154.07690	2.4
155.08540	14.8
156.09363	3.0
157.06546	2.6
157.10110	17.6
159.08011	4.7
159.11705	18.4
161.09589	5.6
161.13310	3.6
163.11147	2.7
167.08551	6.5
169.10103	18.0
171.08008	2.6
171.11685	16.5
173.09662	3.7
173.13252	11.8
175.11270	2.9
179.14308	2.3
181.10085	8.0
183.11711	9.8
185.09602	3.1
185.13278	8.5
187.11205	4.5
187.14772	5.3
189.12711	2.4
193.10246	2.5
195.11719	8.1
195.13600	2.4
197.13242	9.7
199.11198	2.5
199.14827	4.1
201.12685	2.5
201.16371	2.3
202.48270	2.0
203.22571	2.1
205.15828	2.7
209.13290	4.6
211.14801	6.7
213.12721	2.4
213.16531	2.4
215.14322	4.3
219.13730	2.6
221.13316	2.1
223.14828	5.2
225.16348	4.2
227.14299	3.7
229.16013	2.2
233.15390	5.6
237.16371	3.4
241.15932	4.5
243.17171	2.7
247.16888	4.4
257.18878	2.2
259.16922	6.5
261.18512	6.6
269.18781	2.6
271.17007	3.2
273.18457	5.5
287.19876	3.9
307.24088	2.6
325.25223	11.9
335.23676	16.0
343.26199	25.1
353.24713	48.6
361.27295	3.1
371.25793	58.3
389.26843	58.7
427.28421	4.2
445.29498	75.5
446.29739	2.8
446.49146	2.3
463.30466	44.7
474.70731	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.7
55.01871	6.1
55.05509	28.4
57.03428	11.8
57.07064	3.3
60.48795	2.4
61.73366	2.7
62.16037	2.8
65.03959	5.1
67.05504	97.7
69.07066	33.6
69.24157	12.2
69.24585	21.3
71.04983	7.7
79.05492	75.9
81.03433	3.2
81.07057	100.0
83.04980	8.3
83.08624	19.0
83.09054	3.1
85.06544	6.5
86.36484	2.9
91.05479	79.7
91.86705	3.2
93.07044	85.1
95.04960	11.3
95.08608	46.6
95.91589	2.7
96.47322	2.8
97.06532	13.8
97.10140	6.7
98.21665	5.7
99.08095	4.6
103.05469	5.9
105.07034	66.0
107.04985	4.8
107.08597	42.0
109.06525	8.7
109.10168	10.2
111.08044	6.1
115.05432	4.8
117.07019	43.1
119.08578	42.2
121.06534	7.7
121.10125	24.4
123.08100	4.5
123.11723	3.6
125.09623	4.0
128.06186	5.8
129.07028	26.5
131.08571	56.6
133.06512	4.4
133.10126	26.3
135.08020	9.2
135.11725	10.3
137.09657	3.8
141.06975	6.6
143.08542	21.1
145.06439	6.4
145.10133	35.9
147.08055	5.5
147.11699	6.5
149.09579	7.1
149.13292	24.9
155.08539	12.7
155.52101	3.0
157.10126	15.8
159.08142	4.5
159.11696	18.2
167.08549	4.9
169.10114	12.2
171.11678	10.2
181.10089	5.9
183.11707	7.9
185.13321	6.6
187.14868	7.9
195.11818	5.9
195.13773	9.8
197.13287	8.0
199.14844	5.1
209.13300	5.6
211.14839	5.1
213.12810	4.0
223.14857	3.8
233.15373	4.0
237.16527	3.9
241.16116	2.8
247.16853	4.7
259.16876	3.3
261.18735	5.0
287.19772	3.2
304.35992	3.0
325.25204	10.1
335.23770	5.7
343.26385	18.6
353.24817	31.1
371.25751	52.5
389.26813	39.9
427.28729	6.3
445.29492	78.5
463.30457	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	463.3052
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.28552	2.4
53.03934	5.3
55.01863	7.0
55.05260	3.2
55.05505	33.0
57.03424	12.0
57.07073	2.6
57.69083	2.6
65.03925	4.0
67.05502	79.6
69.07063	27.2
69.54604	22.5
71.04987	5.1
79.05494	57.4
81.07052	82.1
83.04955	5.6
83.08586	13.2
85.06536	5.4
89.15990	2.4
90.05021	2.8
91.05473	100.0
93.07041	62.3
95.04985	16.2
95.08060	3.5
95.08605	50.4
95.75739	2.3
97.06509	7.0
97.10138	5.9
98.21484	5.5
99.08099	3.3
105.07025	93.2
107.04938	10.8
107.08584	36.2
107.61006	2.6
109.06487	5.2
109.10153	16.9
115.05442	4.6
117.07001	47.3
119.08576	59.4
121.06484	10.0
121.10119	24.1
123.08049	9.0
123.11682	4.5
125.09612	3.8
128.06194	6.5
129.06995	31.6
131.08562	75.4
133.06488	5.6
133.10118	31.0
135.08015	7.2
135.11678	12.4
137.09607	6.2
141.06987	10.6
143.08557	28.3
145.06511	6.0
145.10110	43.7
147.08015	6.8
147.11673	8.7
149.09607	8.8
149.13290	6.5
155.08533	20.8
157.10089	17.8
159.11684	20.8
161.09601	3.3
161.13202	4.5
167.08531	4.7
169.10231	12.8
171.11659	19.8
173.09607	4.3
173.13274	12.6
175.14725	3.9
181.10086	10.3
182.10988	2.6
183.11668	8.9
185.09689	2.7
185.13246	11.0
187.11125	5.2
187.14772	6.0
195.11662	6.6
197.13229	14.4
199.14749	6.1
205.15883	3.9
205.65994	3.1
209.13271	6.5
211.14807	7.0
213.12558	3.4
215.14290	2.8
223.14835	4.3
225.16394	6.1
227.14255	4.7
227.17738	3.4
231.17216	3.1
241.15843	3.7
243.17378	3.4
247.16904	6.6
259.16809	7.6
261.18320	3.9
273.18530	4.3
275.19882	3.1
297.84729	2.9
325.25223	12.2
335.23624	12.8
343.26254	19.9
353.24753	56.2
371.21347	4.2
371.25793	64.3
389.26855	63.1
393.98138	3.0
427.28537	7.0
445.29462	81.4
463.30563	41.2
477.30804	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	5.0
53.03952	12.4
55.01871	90.3
55.05513	63.7
57.03431	17.9
58.73153	4.6
67.05502	100.0
67.05836	9.7
69.07075	45.2
69.58169	21.2
69.58575	8.5
73.02916	14.7
79.05501	74.0
81.03440	7.2
81.07052	94.5
83.04980	15.4
83.08614	71.0
85.06530	5.6
89.27454	5.2
91.05479	81.4
93.07053	74.2
95.04952	29.9
95.08614	45.5
97.06534	84.6
97.10188	8.6
98.20790	8.7
105.07040	51.5
107.04977	22.3
107.08592	32.2
109.06535	6.2
109.10164	23.5
110.80697	5.2
111.08061	16.3
115.07568	10.2
117.06991	23.7
119.08560	40.3
121.06506	10.0
121.10131	32.5
121.39214	6.0
122.51019	5.1
123.11688	9.7
125.09622	10.8
129.07040	6.9
131.08542	33.5
133.10114	40.3
135.08038	7.4
135.11699	18.2
137.09644	6.8
139.11171	5.1
145.10110	34.0
147.11697	21.3
149.09615	29.9
149.13246	17.8
151.11166	8.1
154.60028	5.0
155.08508	5.9
157.10114	7.0
159.11624	24.9
161.13315	5.2
163.11180	42.5
165.12752	13.3
171.10176	13.9
171.11693	7.7
173.09683	6.0
173.13295	8.3
177.12756	8.8
187.11234	6.4
197.13306	7.2
218.62332	5.2
229.19510	7.2
239.17889	8.5
240.68649	5.2
257.18954	14.9
275.20047	52.8
349.23627	24.5
356.35040	6.0
445.29282	11.1
463.30292	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.9
55.01854	2.3
55.05511	31.1
57.03427	8.5
57.07055	2.6
62.80848	1.8
65.03929	4.0
67.05505	92.5
69.07069	28.7
69.55170	7.3
69.55591	7.5
71.04992	5.8
72.44075	2.2
79.05495	63.0
80.74972	2.1
81.03422	4.0
81.07057	100.0
83.04980	8.4
83.08629	12.8
85.06540	4.9
91.05482	74.0
93.07041	73.2
93.07635	3.7
95.04984	14.2
95.08606	46.5
97.06514	10.4
97.10191	6.8
98.21506	2.6
99.08087	3.6
103.05492	4.2
105.07024	59.9
107.04963	6.6
107.08588	34.3
109.06520	6.8
109.10162	16.5
111.08070	7.1
115.05506	2.6
117.07011	29.9
119.08585	33.7
121.06522	6.1
121.10135	27.3
123.08066	5.8
123.11713	4.4
128.06227	4.2
129.07002	21.5
130.07852	2.5
131.08565	56.9
133.06509	5.7
133.10124	29.9
135.08072	6.5
135.11703	12.9
137.09654	3.1
141.06993	10.9
143.08553	20.2
145.06485	4.8
145.10110	29.7
147.08075	7.8
147.11673	6.2
149.09616	7.0
149.13261	25.0
151.11211	3.3
155.08595	11.9
157.10109	12.7
159.08096	2.9
159.11717	19.6
161.09549	3.6
161.13235	2.5
167.08554	2.8
169.10112	10.5
171.11684	7.6
173.13278	5.3
176.04802	1.9
177.12762	6.4
181.10127	5.6
183.11765	6.6
185.13237	6.5
187.14888	4.3
194.47301	2.5
195.11848	4.5
195.13828	9.4
197.13304	4.1
199.14909	3.7
209.13309	5.7
211.14781	3.4
213.12854	2.3
215.18195	2.2
219.13586	2.2
223.14859	3.6
225.16321	3.0
227.14297	3.3
233.15382	3.4
245.15257	2.8
247.16885	4.6
259.16983	4.2
261.18503	2.4
272.92307	2.1
273.18561	2.6
325.25192	6.2
335.23590	10.1
343.26215	11.0
353.24734	35.2
371.25784	44.4
389.26852	35.7
434.28253	2.4
445.29483	60.5
446.29987	3.6
463.30521	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3032
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.82123	0.9
55.05500	3.3
57.03434	1.0
57.04442	0.9
57.41150	0.9
65.03939	1.1
67.05506	11.4
69.07057	4.3
69.33137	11.2
79.05480	6.3
81.07059	11.5
83.08624	2.1
87.56509	0.9
91.05486	3.2
93.07039	8.4
95.04974	1.8
95.08596	3.1
97.06498	1.5
105.07061	1.7
107.08607	4.8
109.10172	1.5
111.08072	1.7
119.08595	1.2
121.10107	2.6
123.11777	1.3
131.08623	2.2
133.10139	2.1
135.11723	1.1
149.13284	3.3
159.11798	1.4
195.13907	2.0
227.65675	1.1
239.80763	1.2
285.69254	1.0
445.29236	100.0
446.29660	3.4
449.38348	1.1
463.30301	88.0
464.30725	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	463.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.9
55.01873	5.2
55.05508	37.6
57.03421	10.1
57.07062	2.0
61.78149	2.0
65.03939	5.4
67.05500	83.3
69.03407	2.3
69.07067	32.2
70.70899	7.1
71.04993	4.7
79.05487	75.1
81.07051	85.9
83.04958	3.4
83.08604	14.1
83.44743	2.1
85.06512	5.6
91.05476	100.0
93.07038	75.9
95.05006	13.8
95.05549	3.0
95.08600	53.6
97.06540	12.2
97.10133	7.1
99.08073	4.1
99.57603	2.2
103.05471	5.4
105.07027	90.8
107.04939	10.4
107.08585	40.1
109.06509	8.8
109.10149	20.1
111.08068	4.8
115.05437	4.5
116.06196	2.7
117.07011	47.8
119.07705	2.7
119.08574	57.1
119.09367	2.2
120.56676	2.5
121.06503	9.3
121.10117	25.5
123.08083	5.9
123.11668	4.1
123.99885	2.5
128.06210	9.4
129.07007	30.5
130.07675	2.6
131.08563	80.6
133.06499	6.3
133.10112	32.5
135.08043	7.5
135.11725	10.6
137.09633	4.1
141.06978	11.8
143.08562	29.1
145.06439	2.8
145.10121	46.4
147.08046	6.0
147.11714	7.5
149.09613	10.1
149.13225	8.3
151.11180	2.9
153.06879	2.7
155.08493	12.7
157.10101	21.9
159.08101	3.2
159.11676	20.4
161.09625	6.1
161.13286	5.3
163.07683	2.3
163.11092	2.8
167.08516	6.1
169.10103	16.3
171.11661	16.8
173.09682	3.3
173.13313	9.0
175.11194	3.8
177.12706	3.0
181.10153	7.0
183.11647	11.6
185.09595	3.7
185.13240	9.1
187.11168	5.6
187.14761	7.3
195.11726	6.5
197.13206	12.1
199.14731	5.8
201.12718	2.8
209.13266	7.5
211.14774	8.2
213.12834	3.4
213.16414	4.4
215.14273	3.2
215.17807	2.1
223.14774	5.5
225.16402	2.8
229.15804	3.3
233.15366	6.7
247.16901	4.7
255.17578	3.5
259.16977	7.1
261.18625	5.0
269.19135	3.6
271.16873	2.6
273.18546	5.3
287.19965	3.1
301.17703	2.6
307.24332	4.3
325.25208	13.9
335.23627	14.5
343.26248	21.5
353.24741	56.9
371.25769	67.2
389.26822	58.7
427.28299	6.5
445.29459	79.8
446.29700	2.6
463.30493	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	463.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82123	0.9
55.05500	3.3
57.03434	1.0
57.04442	0.9
57.41150	0.9
65.03939	1.1
67.05506	11.4
69.07057	4.3
69.33137	11.2
79.05480	6.3
81.07059	11.5
83.08624	2.1
87.56509	0.9
91.05486	3.2
93.07039	8.4
95.04974	1.8
95.08596	3.1
97.06498	1.5
105.07061	1.7
107.08607	4.8
109.10172	1.5
111.08072	1.7
119.08595	1.2
121.10107	2.6
123.11777	1.3
131.08623	2.2
133.10139	2.1
135.11723	1.1
149.13284	3.3
159.11798	1.4
195.13907	2.0
227.65675	1.1
239.80763	1.2
285.69254	1.0
445.29236	100.0
446.29660	3.4
449.38348	1.1
463.30301	88.0
464.30725	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	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
54.38832	1.7
55.01865	6.5
55.05511	23.1
57.03430	8.5
57.07072	2.7
65.03940	5.6
67.05503	82.4
69.03422	2.3
69.07070	25.4
71.04990	6.7
71.59423	1.9
79.05494	56.9
81.03422	4.2
81.07056	100.0
83.05005	8.1
83.08624	16.7
85.06530	4.4
91.04910	1.9
91.05479	46.5
93.07043	73.6
95.04948	11.1
95.08607	32.0
97.02908	2.2
97.06547	12.0
97.10171	4.9
99.08092	3.0
103.05450	2.1
105.07032	39.4
107.04969	4.1
107.08589	42.0
109.06525	5.2
109.10172	11.2
110.95486	1.5
111.08086	8.4
115.05445	1.5
117.07017	23.1
119.08587	22.5
121.06506	5.8
121.10139	22.9
123.08084	2.7
123.11721	3.5
125.09598	2.3
128.06274	3.4
129.06975	10.5
131.08569	29.7
133.06477	2.1
133.10129	21.9
135.08031	3.0
135.11681	13.0
137.09593	2.6
139.11209	2.6
141.07013	4.1
143.08559	10.2
145.10114	16.4
147.08032	3.7
147.11682	5.2
149.09605	2.5
149.13269	26.1
155.08562	6.1
157.10136	7.8
159.08026	2.2
159.11673	14.5
161.13263	2.3
163.11205	2.4
169.10214	6.1
171.11713	4.9
173.13251	3.9
175.14751	2.0
177.12758	6.6
181.10124	3.4
183.11685	3.3
185.13286	3.6
195.12027	2.3
195.13812	12.1
197.13309	2.3
199.14870	2.1
201.12852	2.1
211.14865	3.4
215.14233	1.8
243.25128	1.6
247.16885	2.3
259.17078	2.3
261.18536	3.5
273.18393	1.6
275.19977	2.5
325.25122	3.1
335.23648	5.4
343.26367	7.7
353.24783	14.3
371.25778	21.2
372.26328	1.8
384.55814	1.7
389.26874	20.6
427.28259	2.8
445.29492	26.2
463.30533	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	463.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.1
55.01873	8.4
55.05514	27.1
57.03436	12.1
57.07071	7.7
65.03938	3.5
66.01182	3.2
67.05501	83.5
69.03448	3.0
69.07063	26.3
70.02427	16.1
71.05000	5.5
71.08292	3.1
71.08617	18.3
79.05031	2.2
79.05489	64.7
79.30577	2.7
81.03414	18.1
81.07053	100.0
83.04977	12.8
83.08612	16.9
85.06549	6.7
91.05476	56.9
92.05771	3.2
93.07045	69.3
93.25832	2.9
94.57193	3.7
95.04974	21.2
95.08607	37.1
97.06512	7.2
97.10164	9.6
99.08102	19.1
105.07037	36.2
106.07453	3.3
107.04949	4.9
107.08595	34.1
109.06518	10.3
109.10136	20.5
111.08099	10.3
113.00011	52.0
113.09648	6.2
117.07018	16.4
119.08554	22.3
121.06528	7.8
121.10120	22.7
123.08045	6.8
123.11706	5.9
125.09629	5.8
129.06972	8.4
131.08568	20.2
133.06453	3.1
133.10165	14.5
135.08078	5.7
135.11690	12.5
137.09616	4.2
143.08598	10.0
145.10104	14.2
147.08066	3.4
147.11691	13.9
149.09637	8.9
149.13277	20.0
151.11145	19.6
157.10156	7.2
159.11737	7.7
161.13257	12.1
163.11185	8.1
163.14755	5.6
165.12724	7.9
169.02614	16.1
175.14842	6.3
177.12746	7.7
179.14326	9.2
185.13260	6.3
187.03745	3.8
189.11211	4.1
192.77701	3.5
195.13860	5.5
199.14740	5.2
227.12840	7.7
241.19548	9.1
249.22169	3.9
257.47879	3.3
259.20599	7.9
277.21594	56.1
295.22583	4.3
343.26581	3.2
351.25272	70.3
353.24515	4.7
371.25467	9.4
389.26471	7.6
445.29120	8.1
463.30405	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.7
54.12519	2.5
55.01864	8.6
55.05510	35.2
57.03436	16.2
57.07051	5.1
65.03941	4.9
67.05501	91.0
69.03419	5.7
69.07072	33.0
70.06905	9.6
70.07336	5.7
71.04977	8.6
71.08626	25.2
79.05493	64.3
81.03416	25.6
81.07054	100.0
83.04992	15.9
83.05398	2.6
83.08623	17.7
85.06542	6.1
85.10213	3.0
91.05472	50.6
92.05783	4.3
93.07042	82.6
94.07367	4.9
95.04975	26.6
95.08604	48.3
95.48104	3.1
97.02847	3.5
97.06531	12.2
97.10168	9.6
99.08107	22.3
105.07024	37.1
107.04945	6.6
107.08591	40.4
109.06499	11.6
109.10128	21.5
111.04427	3.1
111.08090	6.5
113.00012	59.3
113.09630	4.8
115.58810	2.8
117.06991	18.3
119.08582	26.9
121.06482	6.5
121.10139	28.1
123.08028	5.4
123.11725	7.7
125.09612	9.9
129.06996	6.8
131.08572	18.7
133.06438	4.5
133.10132	27.8
135.08055	9.5
135.11719	18.8
143.08549	6.3
145.10107	9.5
147.08127	3.4
147.11681	15.6
149.09586	3.9
149.13278	19.7
150.01675	2.7
151.11195	21.5
153.09093	3.4
155.08609	3.1
157.10138	10.5
159.11707	7.4
161.13213	15.2
163.11172	9.6
163.14774	4.3
165.12746	8.3
169.02663	14.8
171.11736	4.1
173.13293	6.6
175.14828	4.3
177.12750	8.2
179.14348	13.0
185.13210	6.9
187.03593	3.9
193.12262	3.7
195.13773	8.6
214.81638	3.1
221.15390	3.8
227.12772	5.1
231.21068	6.0
241.19493	9.8
249.22108	3.9
259.20529	5.7
277.21643	70.7
295.22705	3.4
321.10992	3.7
351.25269	81.7
353.24426	5.5
371.25427	6.9
389.26477	5.3
445.28973	8.4
460.35117	2.7
463.30484	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	463.1233
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
50.16562	0.3
67.05496	0.5
69.03430	0.5
69.61935	2.1
70.06599	0.4
81.07040	0.6
85.02913	1.0
85.91498	0.3
86.09699	0.9
91.05476	0.5
93.07054	0.7
94.04179	0.4
95.08689	0.3
97.02901	0.4
99.41973	0.3
105.07041	0.4
107.08609	0.6
119.08566	0.4
120.08117	0.4
121.02863	2.1
131.08575	0.4
133.10120	0.7
147.08052	0.4
153.12720	0.4
156.88593	0.3
167.07001	0.3
184.05264	0.6
188.04753	0.9
193.01347	0.6
212.04646	1.0
213.05464	0.8
229.04953	1.3
240.04376	0.4
241.05002	0.9
257.04471	0.9
258.05234	6.4
269.04233	0.6
285.03943	15.0
286.04715	53.2
287.04980	1.3
301.07056	100.0
302.07391	3.1
317.06433	0.6
463.12283	3.1
463.26477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	1.3
53.03937	5.8
55.01868	11.2
55.05515	8.5
56.96564	2.6
57.03429	2.5
61.02915	2.9
67.05508	12.9
69.03423	5.3
69.07059	5.3
70.06583	1.3
70.09016	6.9
71.04984	3.7
73.02910	5.5
77.03954	1.6
79.05486	8.6
81.03420	28.4
81.07060	16.1
83.04974	3.6
83.08607	5.2
85.02915	5.3
88.48510	1.3
91.03945	2.4
91.05479	34.4
93.07040	100.0
95.04963	14.3
95.08620	9.5
97.02870	6.6
97.06559	1.4
97.10181	1.3
105.04520	2.5
105.07015	8.3
105.32084	1.6
107.04945	3.1
107.08582	10.1
109.06550	1.9
109.10142	4.4
111.04427	1.8
111.08075	44.4
115.05463	2.4
117.07019	3.0
119.04954	1.8
119.08590	21.1
120.08952	1.4
121.06495	3.5
121.10146	6.1
123.04444	4.6
123.08082	3.8
123.11705	3.1
127.03905	2.9
128.34395	1.3
129.07007	1.6
131.04933	2.2
131.08606	2.2
133.10149	2.4
135.08044	3.8
135.11659	1.6
136.05174	2.0
137.05969	2.5
137.09622	4.8
139.07585	1.8
139.11195	7.3
141.50122	1.6
145.10091	2.6
147.04434	2.1
147.08043	6.1
148.17476	1.3
151.07520	2.0
151.11145	2.2
153.09091	4.0
159.11743	1.6
161.05975	4.2
165.09106	10.5
166.06250	13.0
173.05988	1.6
175.07576	4.3
175.11064	1.4
176.08282	3.6
177.05553	3.1
177.12764	2.1
178.06195	1.6
181.08591	19.3
183.10190	10.5
187.03954	2.6
189.05431	5.9
201.11269	1.5
203.07039	5.2
204.07782	4.8
205.04958	9.4
209.08237	1.4
215.03427	1.8
217.05006	3.4
219.06523	4.8
220.07367	6.9
221.08069	1.8
231.06596	3.0
232.07278	8.4
233.04428	9.5
235.09702	8.0
236.06822	1.5
245.04471	1.9
248.06787	18.4
259.08591	4.5
260.06750	2.5
263.09137	72.9
264.09464	1.4
266.07883	1.9
267.08853	2.7
269.17502	2.6
275.09128	6.1
281.10260	1.5
285.10019	3.9
293.10208	1.8
301.07043	2.8
302.04144	1.6
309.89249	1.4
311.10260	1.7
317.06406	3.5
324.11371	1.9
331.07959	2.9
431.10092	1.8
463.10867	2.4
463.17401	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	463.1234
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
53.03962	0.1
55.05508	0.2
67.05507	0.4
69.03421	0.2
70.06582	0.5
72.45737	0.1
79.05478	0.4
79.75821	0.1
81.03411	0.3
81.07037	0.6
84.08140	0.2
85.02894	0.4
89.03999	0.1
91.05466	0.8
93.07043	0.9
95.04989	0.4
95.08582	0.4
97.02874	0.3
99.04475	0.2
103.05442	0.1
105.07019	0.6
107.08572	0.2
109.10182	0.3
111.08126	0.1
115.05402	0.2
117.07043	0.3
119.08578	0.5
121.06483	0.3
121.10153	0.6
123.04384	0.2
124.01601	0.6
125.09667	0.1
131.08585	0.2
133.10118	0.4
135.04443	0.7
136.06189	0.3
137.02371	0.2
145.10136	0.2
147.04427	0.2
147.08061	0.2
152.05688	0.1
161.02336	0.3
163.11369	0.1
167.03392	2.3
171.69362	0.1
184.05119	0.2
185.04459	0.4
203.03467	0.4
212.04733	0.1
213.05495	0.4
229.04987	0.3
229.27771	0.2
230.05725	0.2
240.04179	0.2
241.04945	0.3
255.06656	0.2
258.05243	10.7
259.05566	0.2
283.06012	0.2
285.03845	0.2
286.04727	5.4
287.05249	0.3
301.07056	100.0
302.04340	0.2
302.07391	3.0
376.27298	0.1
463.12500	2.3
463.27438	0.2
480.70709	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	463.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19677	0.1
54.45560	0.1
55.05488	0.1
57.31135	0.1
60.06100	0.1
67.05462	0.2
70.06580	0.3
70.64801	0.3
70.65160	0.3
72.08148	0.1
77.46391	0.1
84.08122	0.1
85.02880	0.3
86.09720	0.2
91.05487	0.2
97.02884	0.2
100.07602	0.2
137.05960	0.2
138.36038	0.1
144.61050	0.1
147.04358	0.1
153.01790	0.8
153.62079	0.1
210.15044	0.1
229.04974	0.5
257.04514	0.2
258.05231	19.5
259.05637	0.7
286.04709	40.3
287.05011	1.7
301.07050	100.0
302.07376	4.3
303.04950	0.2
303.44492	0.1
317.20926	0.2
341.67447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
55.27207	0.2
55.83942	0.2
56.72802	0.2
58.85081	0.2
70.24941	1.2
81.21754	0.2
83.01327	0.3
83.71181	0.2
108.58710	0.2
117.54518	0.3
134.03651	0.5
137.02371	0.4
150.03625	0.3
152.01033	0.4
153.01825	1.1
170.02103	0.5
217.93712	0.2
229.05032	0.4
230.05717	0.3
258.05231	5.2
259.06021	0.4
269.04459	0.6
285.03955	2.8
286.04715	29.8
287.05063	1.4
301.07065	100.0
302.07397	4.3
343.04327	0.3
376.92590	0.3
439.47626	0.3
463.12363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
55.01820	0.4
55.05468	0.4
57.03395	0.3
58.92933	0.3
65.79592	0.2
66.87480	0.3
67.05437	1.1
69.03362	0.8
69.07021	0.4
70.06550	0.4
71.04933	0.2
71.17995	0.2
71.58048	0.3
71.58443	0.3
79.05428	1.1
80.05800	0.3
81.03377	0.4
81.07044	1.6
84.08076	0.7
85.02837	0.8
91.05485	1.7
93.07040	2.0
95.04893	0.8
95.08543	0.9
97.02804	1.0
97.06448	0.2
100.07630	0.2
103.05474	0.2
103.80396	0.2
105.06955	1.0
107.08556	0.6
109.10065	0.9
111.04387	0.3
111.08020	0.4
117.06969	0.4
119.08583	1.3
121.06472	0.4
121.10114	1.4
124.01527	0.4
129.06932	0.4
131.08522	0.5
133.10069	0.5
135.04370	0.7
136.06131	1.0
137.02307	0.3
137.05873	0.4
143.08521	0.5
144.83345	0.2
145.10072	0.4
147.07968	0.6
149.09550	0.7
149.44493	0.2
151.11122	0.3
157.10089	0.3
161.02290	0.6
167.03415	3.2
177.05440	0.3
183.11664	0.3
184.05202	0.3
185.04424	0.4
203.03395	0.5
212.04688	0.4
213.05385	0.4
230.05565	0.3
240.04117	0.3
241.04866	0.5
258.05252	10.3
259.05530	0.4
286.04709	6.2
301.07059	100.0
302.07422	2.8
331.08286	0.8
349.05994	0.3
463.12418	17.4
463.26691	0.6
464.12650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1232
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
53.03931	1.9
55.16545	1.8
56.05014	2.0
57.03420	4.6
57.36485	1.9
61.02896	3.1
67.05490	3.0
69.03429	3.5
69.07047	2.2
69.62678	14.2
70.06577	5.8
72.08152	4.0
73.02901	5.7
79.05492	3.1
81.03387	2.3
81.07032	3.3
81.12036	1.9
84.04504	2.8
84.08116	2.5
84.95301	1.9
85.02895	7.0
86.09705	6.8
91.05458	3.7
93.07031	6.2
95.04964	1.8
97.02861	3.3
98.21479	3.1
101.76750	1.8
105.06999	2.3
107.08576	2.3
109.10162	2.4
116.07089	2.6
120.08046	3.3
121.02878	2.0
121.10116	6.2
123.04433	1.8
130.06509	3.9
137.02321	3.4
137.05962	3.2
139.77977	1.6
156.04887	1.7
158.06224	1.9
164.07057	3.0
167.07047	1.9
175.08673	2.0
257.04358	2.8
258.05267	9.2
283.06088	2.5
285.03860	12.8
286.04681	57.5
287.05115	5.3
301.07019	100.0
302.07535	2.1
303.04977	8.2
313.06973	2.7
314.03833	3.3
314.07358	2.5
452.94803	2.0
463.16849	3.1
475.68195	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54874	0.5
53.03261	0.5
56.05037	1.2
57.03439	0.6
59.34965	0.5
61.55477	0.6
63.02356	0.8
65.03965	0.5
66.31321	0.5
67.05502	1.2
69.07037	0.6
70.06591	6.1
70.83253	1.0
70.83582	0.6
72.08151	3.7
76.02223	0.9
81.03421	1.5
81.07073	0.8
82.06588	0.9
84.04489	2.3
84.08134	2.3
85.02889	1.2
86.09700	2.9
87.05542	0.7
87.10053	0.9
88.03967	0.9
89.03919	6.2
91.05482	1.6
93.07047	1.0
95.01360	0.7
95.04959	1.9
95.08624	0.7
97.02921	0.8
98.05975	0.7
107.05010	0.7
107.08671	0.5
110.07160	0.7
116.01651	0.8
116.07080	0.8
117.03380	19.5
117.07064	0.6
119.04903	1.3
119.08529	0.7
120.08092	1.0
121.06561	0.8
122.64541	0.6
124.07649	0.9
128.07094	1.5
130.73164	0.5
134.03622	1.6
135.04404	1.6
142.05099	0.6
145.02849	45.3
146.03160	1.0
147.04358	3.8
147.08046	0.7
149.05978	7.1
151.03911	2.3
152.04192	1.6
154.08621	1.6
159.29881	0.7
162.02101	0.7
163.03847	0.7
175.07481	0.8
177.05473	100.0
178.05811	1.7
179.04846	1.1
186.05530	1.2
193.12225	0.7
197.11053	0.6
207.06580	1.3
234.69966	0.6
239.57768	0.6
258.05161	0.9
259.11133	1.6
279.76181	0.5
286.04718	8.4
301.07050	13.4
303.04819	0.8
353.08704	1.1
363.74982	0.6
462.21896	1.2
462.27545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.8
55.01855	10.8
55.05510	37.8
57.03418	12.5
57.07054	4.4
63.38154	3.4
65.03928	6.2
67.05499	98.6
69.03414	5.9
69.07066	31.5
69.29710	42.7
71.04987	8.0
73.06509	3.6
79.05486	85.7
81.03394	5.1
81.06594	4.8
81.07053	80.4
83.04981	6.4
83.08623	27.7
85.06535	5.0
91.04900	5.1
91.05477	100.0
93.07040	59.3
95.04985	22.5
95.08606	47.3
97.06534	11.5
97.10148	12.0
103.05456	10.8
105.07024	81.4
107.04916	14.2
107.08598	34.6
108.36552	3.8
109.06536	9.2
109.10139	21.6
111.08049	9.6
115.05388	8.1
116.06261	5.0
117.07009	60.7
119.08582	38.0
121.06490	13.1
121.10157	17.4
123.08058	5.7
125.09617	7.6
128.06253	19.6
129.07001	75.6
131.04919	5.4
131.07594	5.5
131.08556	84.8
133.06453	8.2
133.10126	29.4
134.31956	4.4
135.08072	4.9
135.11681	8.4
139.11136	3.7
141.06978	30.6
142.07770	8.8
143.08540	59.3
145.06519	24.2
145.10114	36.1
147.08028	11.4
147.11670	9.5
149.09567	6.6
154.07750	4.7
155.08546	45.8
155.75317	3.5
157.06479	8.4
157.10130	22.6
159.08034	15.7
159.11699	18.3
161.09634	6.7
161.13237	4.8
163.11313	5.0
165.06984	6.1
167.08585	16.5
169.10126	32.2
171.07997	5.8
171.11679	15.1
173.09633	8.8
173.13235	8.2
175.11140	5.0
177.12730	8.0
179.08582	6.7
181.10114	22.7
183.11716	19.2
185.09650	4.7
185.13245	17.4
187.14822	7.3
193.10109	6.3
195.11621	20.8
197.09569	4.2
197.13245	14.5
199.11205	4.5
199.14726	4.8
203.14363	4.4
206.10770	4.6
207.11696	6.6
209.13269	14.6
211.11234	7.0
211.14836	10.9
213.12688	7.1
213.16489	4.9
215.14336	12.7
217.15916	5.6
221.13281	13.7
223.14809	10.8
225.16287	6.7
227.14288	6.9
231.13837	6.3
235.14790	9.0
239.14302	9.2
253.15805	7.6
257.15311	12.2
259.16730	4.5
271.16925	6.0
285.18784	4.5
323.23740	13.8
333.22076	20.8
341.24713	20.6
351.23190	59.0
352.23535	4.4
359.25482	4.6
369.19849	6.6
369.24155	51.5
370.24316	3.7
387.25369	29.8
425.26752	7.7
443.27939	75.8
461.28867	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	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01854	7.5
55.05267	3.3
55.05510	40.4
57.03437	14.6
65.03929	6.3
67.05502	88.3
67.15991	2.2
69.03429	4.8
69.06773	2.1
69.07063	24.5
69.84998	10.7
71.04982	7.4
79.05491	72.4
81.03394	5.6
81.06581	4.3
81.07050	74.4
81.25555	2.1
83.04985	15.2
83.08621	22.1
85.02892	4.4
85.06546	3.4
90.83022	2.3
91.05478	100.0
93.07037	85.8
93.07630	4.5
94.07371	3.9
95.04977	23.3
95.08601	48.6
97.06517	11.7
97.10144	10.0
103.05462	6.8
105.07024	68.6
107.04962	19.1
107.08595	30.7
109.06535	10.7
109.10152	17.7
111.04424	7.5
111.08044	7.3
115.05443	12.9
116.06280	2.7
117.06244	2.6
117.07023	49.3
119.04910	4.1
119.07787	4.1
119.08571	44.6
121.06503	14.4
121.10139	26.2
122.10488	2.5
123.08045	6.9
123.11676	4.6
125.09612	4.7
128.06244	16.2
129.05458	2.4
129.07008	56.7
131.04846	4.1
131.07590	3.9
131.08559	72.8
133.06543	11.4
133.07365	2.5
133.10120	24.6
135.08070	10.7
135.11676	8.5
137.09575	4.0
139.11189	2.9
141.06984	17.8
142.07764	10.0
143.08557	48.0
145.06458	18.6
145.10117	34.0
147.08043	12.3
147.11678	12.3
149.09625	16.7
149.13251	4.1
151.11200	2.9
153.07027	3.5
154.07774	5.0
155.08551	31.8
157.06458	3.1
157.10112	27.0
159.08049	9.4
159.11678	16.4
161.09607	6.5
161.13211	3.4
163.11162	4.5
165.06990	3.4
167.08514	12.1
167.10666	3.7
169.10118	22.4
171.07977	5.8
171.11708	22.5
173.09564	4.4
173.13242	6.7
175.11153	6.8
177.12717	5.5
179.08612	6.0
181.10101	13.6
183.07954	3.3
183.11702	15.7
185.09602	5.6
185.13260	13.3
187.11116	4.9
187.14868	4.4
189.12720	3.2
193.10130	4.9
195.11694	12.8
197.13283	9.4
197.40350	2.3
199.11201	5.9
199.14766	6.6
201.12704	3.0
203.14288	3.5
207.11887	3.1
209.13286	12.5
211.11060	2.9
211.14803	8.4
213.12721	9.6
215.14243	7.4
217.15877	4.0
221.13239	9.1
223.14832	7.2
225.12674	5.8
225.16287	4.0
226.13428	2.6
227.14429	2.9
229.15918	3.0
231.13791	4.4
231.17308	3.4
233.15446	4.5
235.14854	6.0
239.14297	7.6
241.15910	4.2
245.15276	3.7
253.15823	6.0
255.17201	3.3
257.15335	6.7
259.17010	2.9
271.16931	7.4
275.20096	4.8
323.23627	7.1
333.22144	13.5
341.24783	13.8
349.23593	3.8
351.23175	48.2
369.24200	68.7
370.24506	3.9
387.25220	33.9
415.28494	3.0
425.26715	3.8
443.27902	54.7
461.29022	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01862	11.5
55.05509	43.0
57.03423	11.8
65.03924	3.4
67.05505	77.7
69.03417	7.3
69.07066	25.7
69.56129	22.7
71.04972	11.2
75.04443	4.0
77.03888	2.9
79.05065	4.4
79.05495	73.4
81.03432	7.6
81.07055	79.1
83.04982	24.9
83.08630	18.9
84.05320	2.9
85.02901	9.6
86.03247	2.8
91.05478	100.0
92.05801	3.3
93.07043	96.2
93.07635	5.7
94.07388	6.8
95.04978	27.2
95.08601	42.8
97.06541	10.6
97.10162	11.7
98.21497	3.8
103.05441	6.6
105.03345	2.9
105.04528	3.5
105.07031	77.1
107.04966	13.3
107.08585	31.7
109.06516	15.5
109.10145	12.8
111.04461	14.1
111.08064	7.2
113.00013	4.9
115.05431	8.4
116.06212	4.5
117.07018	48.5
119.04943	4.3
119.08590	41.3
120.08923	3.9
121.06499	19.9
121.10141	41.0
122.10498	5.5
123.08051	6.0
125.09616	4.0
128.06229	13.2
129.05518	3.6
129.06999	47.1
130.07811	4.8
131.08557	67.0
132.08908	2.6
133.06477	11.4
133.10139	28.2
135.08063	12.1
135.11650	7.1
137.09642	4.1
139.11189	4.0
141.06955	17.1
142.07756	3.1
143.08546	41.3
144.51003	2.8
145.06503	16.7
145.10118	28.7
147.08008	12.7
147.11681	12.0
149.09612	19.0
149.13232	5.9
151.11197	3.8
153.06990	5.9
155.08551	29.5
157.06483	5.9
157.10106	24.2
159.08040	8.4
159.11671	14.4
161.09645	8.0
161.13272	2.9
163.11183	4.7
165.07056	3.3
167.08542	8.6
168.09235	3.1
169.10118	18.6
171.08057	7.8
171.11717	15.7
173.09654	8.2
173.13243	6.9
173.89699	2.5
175.11250	6.8
175.14684	3.3
177.12723	2.7
179.08609	6.6
181.10112	11.0
183.11688	13.7
185.09586	5.7
185.13264	9.3
187.11171	3.3
189.12746	4.5
191.10713	3.0
193.10172	4.9
193.52618	3.0
195.11697	9.1
197.13284	11.3
199.11217	4.3
199.14775	5.3
201.12796	3.5
207.11758	8.8
209.13242	9.4
211.11295	5.5
211.14743	7.8
213.12782	10.7
213.16304	3.1
215.14275	6.5
217.15909	7.0
219.13844	3.8
221.13193	6.8
223.14922	5.7
225.16338	4.7
227.12657	3.4
229.12012	2.6
229.15941	3.7
235.14815	4.0
239.14223	5.7
243.13855	3.4
245.15419	3.4
247.17033	3.4
253.15874	4.1
257.15387	8.7
259.16876	6.1
269.18915	3.2
271.17068	4.8
275.19931	3.1
285.18585	2.8
313.10397	2.9
323.20129	3.0
323.23785	7.5
333.22061	10.0
341.24686	18.3
349.23865	4.8
351.23209	36.1
369.24216	64.4
377.48294	3.2
387.25241	32.4
425.26724	6.2
443.27960	56.6
461.29050	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	2.3
53.03938	7.5
55.01862	7.7
55.05259	3.4
55.05508	36.0
57.03436	13.6
60.64466	2.6
65.03941	5.8
67.05501	66.2
69.03432	9.4
69.07065	26.2
70.73274	7.5
71.04987	12.5
77.03967	3.7
79.05488	59.3
80.05834	3.5
81.03413	4.5
81.07053	59.0
83.04977	26.3
83.08626	14.8
85.02887	10.6
85.06544	4.5
91.05475	86.3
92.05800	3.1
93.07037	100.0
94.07372	7.8
95.04961	23.1
95.08598	38.7
97.02877	2.9
97.06535	9.7
97.10165	7.4
99.08092	2.9
103.05428	4.8
105.07026	62.3
106.07336	3.1
107.04955	17.1
107.08589	33.9
109.06506	14.1
109.10151	17.2
111.04449	13.4
111.08054	6.2
112.04794	4.6
115.05456	9.6
116.06216	4.2
117.07011	43.1
118.07364	2.3
119.04913	4.6
119.08584	41.9
120.08823	2.7
121.06527	15.6
121.10127	44.0
122.10459	9.5
123.08044	8.4
123.10817	2.4
123.11696	3.6
125.09620	5.9
128.06235	13.1
129.06166	3.4
129.07016	37.4
130.07777	2.4
131.04951	4.2
131.08560	53.3
132.08925	3.9
133.06485	10.5
133.10150	19.1
135.08028	11.1
135.11639	6.1
137.09613	6.9
141.07021	13.5
142.07767	7.0
143.08556	34.8
145.06465	14.8
145.10100	24.3
147.08037	13.7
147.11682	8.2
149.09627	20.9
149.13225	2.6
153.07019	3.3
154.07793	3.4
155.08522	18.3
157.06497	4.1
157.10112	24.0
159.08115	11.5
159.11674	11.2
161.09619	6.5
161.13222	3.5
163.11137	4.1
165.09149	2.5
167.08549	7.7
168.09227	2.6
169.10049	13.1
171.08012	5.4
171.11668	15.3
173.09657	3.6
173.13284	6.3
175.11205	4.1
179.08540	5.0
181.10071	8.6
183.11687	7.7
185.09709	3.5
185.13271	11.4
187.11176	4.1
187.14761	3.5
193.10178	3.4
195.11707	8.9
197.13338	4.9
199.11154	4.5
199.14796	6.7
201.12738	6.8
207.11685	4.5
209.13245	6.6
211.11192	4.1
211.14813	5.2
213.12764	8.4
213.16391	3.1
217.15863	6.0
221.13249	5.6
223.14803	3.6
225.16525	3.7
227.14287	3.3
229.15833	2.7
231.13976	3.0
239.14284	5.4
241.15837	3.1
243.17538	2.7
245.15340	3.1
253.15883	4.4
257.15433	4.2
271.16891	2.6
273.18448	2.9
275.76486	2.7
285.18463	3.4
323.23727	8.6
333.22229	5.5
341.24673	13.5
351.23160	36.8
359.25726	2.9
369.24231	61.0
387.25241	33.4
425.26563	6.7
443.27975	53.2
444.28510	4.1
461.29138	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20610	2.0
53.03945	12.8
55.01873	17.6
55.05510	25.8
56.05034	3.2
57.03433	13.1
57.07068	4.0
59.05003	6.0
61.02932	7.2
65.03921	2.2
67.05509	16.5
68.99792	5.8
69.03429	65.6
69.07063	48.8
69.46013	18.4
70.06593	10.6
71.01358	2.4
71.05007	12.5
72.08161	3.5
73.02915	12.9
79.05505	11.4
81.03420	56.7
81.07057	33.9
83.04987	14.5
83.08619	9.9
84.04485	3.2
84.08134	8.0
85.02903	100.0
85.06532	16.2
86.09704	8.3
87.00832	39.9
91.03983	3.5
91.05486	8.6
93.07050	20.5
95.04948	4.2
95.08611	43.6
97.02890	31.2
97.06530	9.4
97.10175	14.0
98.09637	2.3
98.21529	3.8
99.04467	21.3
99.08082	34.3
100.11268	6.3
101.02353	2.0
103.03903	2.0
103.05489	6.9
105.01866	29.8
105.07043	10.3
107.04966	19.6
107.08595	22.8
109.02881	59.7
109.06534	2.0
109.10163	18.3
111.08104	4.4
111.11707	11.3
113.09631	10.6
115.05465	2.3
117.01839	5.6
119.08593	6.0
120.08146	2.9
121.10131	35.4
123.08096	3.1
123.11718	9.6
125.09633	8.8
127.03916	96.9
127.11204	2.6
128.04247	2.2
129.01863	6.6
130.05052	3.1
131.04950	12.9
131.08612	3.0
133.06360	2.9
133.10175	4.2
135.11678	17.3
136.06178	2.8
137.06000	5.8
137.13263	16.6
139.11172	7.7
145.04967	30.7
147.02893	6.9
147.04448	4.3
147.08040	2.5
149.09628	3.1
149.13335	3.6
151.14847	5.2
153.01830	2.4
153.12729	21.8
159.02881	32.0
159.08026	3.0
163.07520	2.4
163.11082	2.5
167.06970	2.8
177.05505	3.2
177.16382	66.9
181.05049	2.2
182.15388	3.6
189.03854	2.5
193.04959	7.1
195.17448	64.1
196.17773	1.8
213.03903	4.5
213.18504	36.7
231.05037	18.7
285.03983	2.8
299.06000	3.4
299.08981	14.6
301.07019	3.3
303.04910	2.6
315.04706	2.5
317.06439	4.2
445.54086	2.8
458.53168	2.3
461.07315	3.3
461.23361	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	461.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.9
55.01863	9.1
55.05507	42.9
55.84026	2.3
57.03440	12.8
59.05012	2.8
64.24162	2.1
65.03930	6.0
67.05501	86.3
69.03423	7.9
69.07066	25.2
69.91644	13.1
71.04984	10.4
79.05487	80.0
81.03412	100.0
81.07053	84.5
83.04999	18.0
83.08617	34.4
85.02908	6.3
85.06529	3.8
91.05480	75.7
93.07041	89.4
94.07373	4.4
95.04966	50.9
95.08597	31.6
97.06525	13.2
97.10150	12.8
98.20846	4.9
105.07034	49.3
107.04958	17.0
107.08594	39.9
109.06508	10.9
109.10152	10.6
111.04430	7.1
111.08096	14.7
115.05466	7.6
117.07008	25.4
119.08564	33.2
120.09003	2.8
121.06512	21.3
121.10136	35.5
122.10526	3.9
123.08075	6.7
125.09644	9.2
128.06216	5.9
129.06995	23.4
131.04929	4.2
131.08560	38.8
133.06461	12.4
133.10135	20.5
135.08026	6.9
135.11708	8.1
137.09608	3.5
139.11191	3.6
139.35733	2.6
141.06993	5.6
142.07782	5.9
143.08536	17.8
145.06491	13.8
145.10126	13.1
147.08070	12.4
147.11641	12.7
149.09619	15.1
149.13237	30.0
155.08574	8.1
157.06546	3.7
157.10104	14.3
159.08128	4.8
159.11720	14.9
167.08624	3.3
169.10130	5.2
171.08144	3.5
171.11736	6.1
172.11069	2.2
173.13281	6.9
175.11136	11.7
177.12732	6.3
181.10083	3.6
185.09569	3.7
185.13324	3.6
187.11232	3.2
189.11264	5.9
189.12807	3.2
193.12236	32.3
195.11760	2.9
195.13721	4.8
197.13371	2.9
199.14935	4.7
201.12820	3.1
209.13377	2.7
211.14764	2.7
213.12694	3.2
215.14484	2.9
217.15959	5.3
231.13887	3.2
237.43698	2.4
249.14909	5.6
257.15451	3.7
262.60074	2.3
275.16449	3.4
321.90417	2.6
341.24796	7.0
343.22467	5.6
351.23251	14.6
361.24518	2.5
369.24246	31.6
387.25052	16.9
402.65936	2.7
405.26129	4.1
417.26160	12.2
443.27933	28.4
444.27957	2.7
461.29016	94.0
462.29373	4.0
467.52429	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90133	0.9
53.03929	1.3
55.01858	4.2
55.05493	1.3
55.17088	0.9
56.05029	1.2
56.96568	1.0
57.03410	1.0
60.04511	1.1
65.03927	1.7
67.05489	3.3
69.03417	2.3
69.07043	0.9
70.02928	1.4
70.06578	3.6
71.04991	1.9
71.57370	1.6
72.08152	9.8
73.02921	2.0
74.02437	5.5
74.06074	1.1
79.05492	14.2
81.03442	1.1
81.07052	3.0
82.06551	1.2
83.04960	1.4
84.04501	6.5
84.08146	6.5
85.02904	5.8
86.09703	11.9
87.05590	15.3
88.03977	3.5
91.05477	57.6
92.05836	1.1
93.03397	1.3
93.07040	57.3
94.06554	1.1
95.04971	5.2
95.08608	7.5
97.02853	2.1
97.06445	1.1
100.03970	3.0
101.07098	0.9
102.05527	3.3
103.05450	2.8
104.06225	1.8
105.04488	1.8
105.07047	5.9
107.04935	1.7
109.10152	1.3
110.37493	0.9
111.04452	1.5
113.03474	3.6
115.05413	1.5
116.03442	2.6
117.07023	12.7
119.04922	1.6
119.08578	100.0
120.08140	1.4
120.08930	2.1
121.06502	1.3
121.10146	7.8
123.04443	4.3
124.03980	1.2
128.06209	1.2
129.07004	6.3
129.10251	2.0
130.05013	1.5
130.08681	1.1
133.06076	33.1
136.07562	2.7
137.02368	1.3
137.05978	3.1
137.09604	11.4
140.07045	1.6
140.98846	1.0
145.02834	1.8
145.05029	0.8
145.06113	4.1
146.09647	1.1
147.04407	1.5
147.08044	53.4
148.43713	1.0
149.09592	1.4
154.04997	2.4
154.08658	1.5
161.05966	2.3
163.07516	1.2
164.10745	1.1
165.09116	13.2
176.04465	1.0
177.05550	2.0
183.11215	1.0
192.10184	3.4
193.08614	1.7
199.18102	1.8
211.10757	6.8
215.06624	2.7
215.13725	1.1
216.10127	1.4
225.12395	1.0
238.10696	5.2
251.14120	1.2
279.13266	1.1
285.14453	3.5
297.14453	70.9
298.14758	2.9
298.49829	1.1
299.05405	1.5
311.19922	1.2
315.15497	17.5
329.20633	1.2
330.15866	1.1
457.72244	1.0
461.16205	1.3
467.21021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.4
55.05507	2.3
56.05040	1.4
60.04529	2.1
62.18733	1.0
67.05514	1.8
69.03407	1.9
69.63904	8.0
70.02948	3.5
70.06582	4.2
71.01381	1.1
71.04974	3.9
72.08156	13.1
73.02905	1.3
74.02436	5.0
74.06067	1.5
78.13808	0.9
79.05502	10.5
81.03405	1.8
81.07063	8.9
84.04489	3.4
84.08120	3.4
85.02908	6.1
86.02425	1.7
86.09698	8.9
87.05582	12.2
88.03983	2.4
91.05476	46.4
93.03407	1.5
93.07037	37.0
95.02476	4.2
95.04956	4.1
95.06104	2.0
95.08607	2.4
97.02874	2.3
99.05580	1.6
103.05461	1.9
105.07037	6.0
107.04961	4.3
107.08568	2.8
108.04501	1.2
109.06523	1.2
111.04451	1.2
111.05573	2.0
113.03483	20.6
115.05444	1.6
116.03475	2.9
117.03459	1.0
117.07052	8.4
119.04963	1.6
119.08576	70.2
120.08082	1.8
120.08922	1.3
121.10147	4.4
123.04423	1.5
123.05520	1.3
126.05470	1.0
127.44131	1.0
128.06203	1.7
128.07053	1.3
129.06989	5.9
131.08565	1.5
132.08130	1.6
133.06073	22.4
135.08014	1.4
137.02304	1.6
137.05978	2.0
137.09644	3.2
141.06567	1.8
145.06111	4.8
146.09624	3.7
147.04393	3.3
147.08046	61.1
149.09590	4.1
154.04968	13.5
164.10698	4.5
165.09099	9.9
167.07085	1.2
172.11243	1.7
173.13039	1.1
174.09151	5.9
175.04025	1.2
176.10764	1.1
177.05460	1.5
187.10736	3.2
192.10219	2.1
202.08664	1.2
204.24564	1.1
211.10776	34.9
212.11060	1.2
215.10263	3.2
216.10197	24.5
220.09685	29.9
227.80820	1.2
233.12907	2.9
238.10739	1.5
251.13751	1.4
260.66937	1.2
262.10745	1.6
267.13510	2.0
279.13428	20.1
279.76154	1.2
280.08304	2.0
285.14481	23.7
286.14822	1.2
297.14441	100.0
298.14783	3.4
299.05396	2.0
315.04892	2.5
315.15485	22.3
316.15628	1.4
364.05154	1.2
443.24033	3.2
461.17670	2.9
461.26187	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01864	8.1
55.05297	1.5
55.05513	13.4
57.03431	14.4
57.07062	1.6
61.02918	3.2
65.03928	2.2
67.05507	35.9
69.03426	9.1
69.07072	16.9
70.01372	1.9
70.01678	8.4
71.01362	21.0
71.04994	3.9
73.02918	26.5
75.04478	3.3
76.02229	2.7
79.05489	24.0
79.06520	1.3
81.03414	5.8
81.07060	99.7
83.01302	1.4
83.04967	10.5
83.08595	7.3
84.04499	2.8
84.08143	2.9
85.02906	61.0
85.06538	5.9
87.45568	1.5
91.05483	35.2
93.07061	22.0
95.01343	8.9
95.04980	9.0
95.08612	23.9
96.24196	1.4
97.02911	16.4
97.06527	8.6
97.10175	1.8
99.00805	5.3
99.04449	2.9
99.08096	3.7
101.02386	7.3
101.06016	3.7
103.03941	7.5
105.07030	46.9
107.04955	2.4
107.08596	20.2
109.06519	6.5
109.09441	1.4
109.10171	4.2
111.04490	2.1
111.08062	2.9
113.02371	19.3
117.07034	3.5
119.08585	37.2
120.08080	1.5
121.06490	2.4
121.10142	28.9
123.04417	2.4
123.08073	4.9
123.11703	31.9
127.07534	4.3
128.11809	1.4
129.06964	2.8
131.03424	15.3
131.04933	1.9
131.08545	7.0
133.06505	2.3
133.10129	5.7
135.08035	3.2
136.06184	4.7
137.05983	2.3
137.13313	2.5
141.01830	14.9
141.05499	1.8
141.09172	1.6
143.08589	2.5
145.04955	1.9
145.06465	1.9
145.10130	5.1
147.04355	3.1
147.08025	2.5
147.11691	100.0
149.09616	3.4
153.01837	2.4
157.10135	4.4
159.02887	5.4
159.06561	3.2
159.11760	2.2
161.06013	2.2
161.09564	2.3
165.09134	1.8
165.12756	66.7
167.07062	1.5
169.04993	4.6
169.06534	1.5
175.11197	5.4
177.05499	2.3
183.13797	10.7
187.06073	3.4
193.12245	8.3
197.04416	4.4
211.13358	1.5
213.14661	3.3
215.05524	5.1
229.14384	22.7
241.14049	3.0
259.08743	1.7
267.15930	12.6
277.52554	1.6
281.17487	5.8
285.16980	37.2
299.19931	2.2
309.16980	6.2
315.04999	3.0
317.06519	5.3
351.23410	1.7
369.24283	2.7
375.19736	7.4
379.17374	4.2
407.16949	2.4
417.20993	17.4
425.18039	3.7
443.27695	2.2
461.08542	4.6
461.13974	3.0
461.19943	41.8
461.27051	3.1
461.29013	3.9
462.20428	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1078
Annotation	5-Hydroxypseudobaptigenin 7-O-glucoside
Peak:m/z	Relative Intensity
55.01860	0.4
55.05510	0.3
60.04542	0.3
68.99500	0.3
68.99796	3.1
69.03423	0.4
70.06594	2.2
70.15189	1.0
72.08141	0.7
79.05489	0.4
81.03417	0.3
84.08144	0.3
85.02899	0.4
86.09676	0.8
91.05496	0.7
93.07047	0.4
95.08586	0.5
97.06598	0.3
99.12444	0.2
100.11227	0.3
107.04985	0.4
111.00803	3.2
119.04910	0.6
120.08112	0.5
127.03843	0.3
131.04933	3.7
133.06490	0.9
136.07605	0.4
145.02847	0.5
145.06458	0.3
146.06041	0.7
147.04427	0.4
149.02364	0.4
153.01840	0.5
157.06439	0.6
159.04425	7.9
161.05978	2.1
169.06493	1.1
173.02437	0.3
173.06015	1.0
177.05411	0.4
187.03908	41.4
188.04219	0.7
191.03491	0.4
197.05983	1.0
201.05496	0.5
203.07237	0.3
205.04962	0.3
211.03986	0.3
215.07047	1.2
225.05470	0.5
229.04974	0.8
238.05827	0.4
243.06541	3.6
253.04942	0.6
271.06018	2.0
299.05502	100.0
300.05817	2.7
300.68774	0.3
311.05420	1.3
312.05835	3.3
329.06281	0.4
329.08813	0.4
349.22067	0.7
358.33942	0.3
443.84351	0.3
461.10968	0.6
461.20923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58974	0.6
53.03938	2.2
55.01863	1.6
55.05509	9.0
56.05029	3.6
57.03426	1.8
57.07061	1.9
58.02949	2.3
60.04507	1.9
61.02921	1.1
65.03913	1.0
67.05502	16.4
68.05013	2.5
69.03133	0.6
69.03434	5.8
69.06731	0.7
69.07069	8.0
69.90934	3.5
71.04976	2.2
71.08608	0.7
72.04510	0.7
73.02909	1.0
79.05491	12.5
80.05012	3.6
80.05796	0.9
80.19601	0.6
81.03413	3.5
81.07054	13.4
82.06576	6.1
83.04987	4.6
83.08620	4.3
84.05305	1.1
85.02417	1.1
85.02898	11.4
86.06052	1.5
87.04460	0.9
91.03957	0.9
91.05486	11.7
93.07045	15.0
94.06564	5.8
94.07355	3.2
95.04941	3.1
95.08607	11.6
96.08130	5.0
97.02881	4.2
97.06515	1.0
97.10151	2.4
98.06059	1.3
99.04410	1.0
99.96815	0.6
100.07613	1.2
105.07025	4.8
106.07349	0.8
107.08602	5.5
108.08097	1.7
108.08842	0.7
109.02843	0.6
109.06538	0.7
109.10168	4.1
111.04435	3.4
111.08093	1.2
111.11727	0.8
112.04752	1.2
115.03944	0.9
117.06989	0.9
119.08560	5.7
121.06499	1.0
121.10143	9.9
122.09698	1.1
122.10487	3.4
123.11720	1.4
127.03923	1.7
128.06216	0.6
129.05605	0.7
129.06998	1.0
131.08609	1.2
133.10103	3.4
135.11674	1.6
136.11189	1.0
140.10722	0.7
145.05013	0.7
147.08058	1.0
147.11633	1.5
149.09587	2.1
150.09909	2.2
163.14752	0.6
210.50583	0.6
245.22456	0.6
250.25299	5.1
254.73880	0.6
262.25290	26.4
263.25766	1.0
264.26956	3.3
268.47928	0.7
280.26349	100.0
281.26633	2.4
292.26248	0.9
298.27426	3.1
314.16882	1.0
331.23157	0.7
361.83743	0.5
369.24551	0.6
386.68265	0.6
412.30600	0.9
414.28528	0.7
424.30673	1.7
439.70157	0.7
442.31720	6.8
460.32712	2.7
461.28928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01873	0.8
55.05267	0.9
55.05513	10.1
56.05042	4.0
57.03424	2.1
57.07083	2.4
58.02950	1.6
60.04518	1.6
61.02919	1.3
61.89045	0.5
65.03940	0.9
67.05509	12.7
68.05031	2.3
69.03429	6.2
69.06728	0.6
69.07070	9.2
70.83581	1.6
71.04984	1.5
71.08614	1.3
72.04524	0.6
73.02917	1.0
77.65181	0.4
79.05493	11.1
80.05024	2.7
81.03403	3.1
81.06584	0.6
81.07059	12.8
82.06591	5.0
83.04981	5.0
83.08620	4.9
84.04535	0.6
84.05312	1.0
84.08138	0.6
85.02428	0.8
85.02911	11.6
86.06062	1.3
91.05480	7.9
92.05813	0.9
93.05792	0.6
93.07049	13.7
93.10697	0.5
94.06570	6.1
94.07381	3.0
95.04956	3.3
95.07352	1.3
95.08605	10.6
96.08133	4.3
97.02883	3.1
97.06511	0.7
97.10165	2.4
98.06052	1.5
99.04430	0.7
100.07639	1.5
103.35509	0.4
105.07043	5.2
106.07341	0.7
107.04950	0.6
107.07334	0.5
107.08590	3.8
108.08100	1.3
108.08860	0.6
108.30887	0.5
109.02875	1.0
109.06519	0.5
109.10151	3.1
109.29683	0.5
110.06016	0.5
111.04440	2.9
111.08077	0.9
111.11729	0.7
112.04760	1.3
112.07571	0.5
117.07038	0.7
118.07391	0.4
119.08585	5.3
119.50334	0.5
120.08102	0.5
120.08910	0.7
121.06454	0.6
121.10138	8.8
122.09715	0.9
122.10475	2.8
123.11710	1.7
127.03904	1.9
129.05429	0.6
129.06918	0.7
131.08560	1.9
132.08960	0.8
133.10147	3.0
135.08061	0.6
135.11708	1.5
136.11232	0.8
145.04956	1.2
147.08040	0.8
147.11670	1.3
149.09616	2.6
150.09952	1.3
154.12268	0.5
155.08615	0.5
161.18510	0.5
166.65916	0.5
193.26889	0.4
220.38289	0.5
245.22673	1.0
250.25313	4.8
257.63751	0.5
260.23792	0.7
262.25311	28.1
263.23743	0.6
264.26907	3.2
280.26358	100.0
281.26651	1.3
296.15726	0.7
298.27496	2.4
322.27350	0.7
412.30594	1.4
424.30527	2.2
442.31699	6.4
460.32837	2.3
461.28748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.1
54.72166	1.4
55.01634	1.2
55.01878	13.6
55.05502	1.2
57.03440	7.7
60.04527	2.5
61.02924	7.8
65.03961	1.7
68.99785	5.3
69.03431	42.8
70.03635	6.2
70.06578	1.7
71.04997	5.9
73.02918	10.6
79.05498	4.0
80.05020	1.5
81.03419	42.0
81.07033	1.6
82.34303	1.0
84.04502	1.5
84.08154	1.9
85.02909	100.0
86.09674	1.9
87.00301	2.3
87.00833	42.5
87.04453	1.3
91.03970	3.5
91.05477	3.1
93.07032	1.9
95.04948	2.2
97.02898	42.0
97.03525	2.4
98.06066	1.4
99.04458	15.1
101.02366	1.3
103.05452	7.8
105.01871	31.8
105.07046	5.0
107.04965	12.2
108.04485	10.1
109.02882	37.5
111.04395	2.1
115.03894	1.6
115.05460	1.4
117.01838	5.0
126.05516	5.3
127.03916	66.0
129.01846	5.3
131.04935	2.7
133.06487	1.3
135.08043	8.2
135.10349	1.2
137.06105	1.3
139.03915	5.6
141.01871	1.6
144.06708	1.3
145.04965	24.0
145.06122	1.3
147.02878	3.8
154.06253	43.7
155.06586	1.7
159.02913	20.7
161.91927	1.2
163.07545	30.6
165.09148	1.2
167.07086	1.7
180.07835	1.9
195.10179	90.5
196.10680	1.3
213.04054	2.3
230.06581	2.2
231.05016	9.9
248.07736	5.2
322.39468	1.4
460.27176	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.383
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.54057	5.1
55.05511	25.3
57.03437	8.5
57.07067	16.4
61.02948	4.5
63.55145	4.4
67.05502	33.6
69.03431	36.2
69.07067	26.1
71.04980	37.4
71.07362	10.7
71.07702	4.5
71.08636	5.3
72.13935	5.2
74.95476	4.4
79.05492	28.7
80.17762	4.2
81.07054	68.7
83.04967	17.5
83.08626	16.1
85.06538	10.4
89.05989	5.4
91.05475	46.4
93.07047	85.6
95.04973	14.8
95.08022	3.8
95.08604	98.3
97.06525	7.4
97.10196	5.9
99.08089	17.7
99.61626	5.1
105.07018	58.0
107.08591	96.8
109.06495	9.0
109.10158	59.9
111.04442	8.6
111.08091	9.2
111.11766	5.1
113.09655	8.3
119.08585	89.3
121.10140	98.8
123.08089	6.5
123.11738	36.2
125.09631	90.8
127.07579	12.9
127.11198	20.7
131.08569	19.3
133.10132	100.0
135.11694	62.5
137.13165	8.3
143.08548	6.1
143.10664	35.5
145.10112	40.3
147.11690	96.8
149.09645	12.1
149.13278	27.8
151.11154	6.0
157.10133	6.6
159.11691	34.1
161.13237	53.0
163.14798	19.6
165.12793	6.6
169.12146	5.8
171.11716	7.3
172.12332	5.1
173.13286	17.3
175.14807	19.3
177.16411	15.9
185.13260	7.8
187.11121	5.1
187.14868	23.5
189.16350	42.3
191.10693	12.7
191.17947	32.3
193.15895	10.2
199.14867	6.0
201.16385	26.9
203.17970	47.9
205.15880	17.3
207.17445	42.7
211.16899	34.6
213.16467	10.1
215.17938	30.1
217.15855	15.3
217.19551	17.9
221.18987	11.0
229.19574	6.3
231.20996	5.0
233.18953	23.6
241.19553	5.6
243.21106	6.5
247.20543	6.7
262.85764	5.7
343.30182	9.7
405.35059	5.9
423.36188	71.7
441.37485	43.8
459.38867	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	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
53.19893	2.2
55.01873	15.0
55.05510	69.4
57.03431	10.7
62.21139	2.1
64.85834	2.1
65.03922	3.3
67.05502	56.1
69.03427	12.8
69.07068	19.0
69.94119	4.1
69.94528	9.6
71.04986	13.3
72.64757	2.1
74.61314	2.2
75.04473	4.1
79.05492	72.9
81.03409	4.8
81.07053	49.2
83.04979	48.8
83.08617	30.0
85.02897	17.7
85.06553	4.6
91.05477	75.5
91.29465	2.1
93.07040	100.0
95.04965	17.4
95.08612	26.3
97.02910	2.1
97.06544	4.8
97.10166	43.7
99.04470	3.4
103.05458	29.1
105.03389	3.0
105.07024	55.7
107.04961	9.5
107.08578	33.3
109.02418	2.2
109.06525	6.3
109.10159	10.5
111.04432	23.5
111.08086	5.8
115.05471	15.5
116.06239	5.9
117.07015	60.2
118.57552	2.1
119.04900	2.9
119.08583	38.9
121.06503	8.1
121.10142	52.2
123.08054	7.6
123.11690	5.2
125.09631	39.8
128.06241	9.9
129.05505	6.0
129.06990	35.0
131.04913	6.3
131.08562	57.1
133.06514	11.4
133.10136	9.6
135.08061	10.1
137.09657	4.1
141.07007	13.2
143.04956	3.2
143.08560	21.4
143.10628	4.1
145.06462	19.0
145.10146	20.0
147.08115	12.4
147.11729	3.2
149.09622	21.8
153.07013	3.2
153.09045	4.2
155.08543	17.5
157.06483	8.8
157.10132	8.4
159.08069	11.1
159.11725	7.5
161.09615	3.6
163.07678	2.6
165.07024	3.1
165.09113	2.8
167.08548	7.5
167.10680	4.2
168.09499	2.4
169.10133	10.0
171.08084	7.6
171.10310	2.9
171.11629	10.5
173.09656	3.8
173.13283	2.7
179.08437	3.6
181.10182	4.6
183.11688	2.6
185.13251	5.3
187.11183	3.5
187.14790	20.7
189.11224	32.0
193.12215	2.6
195.11661	5.5
197.13268	20.2
199.11249	4.8
209.13220	3.9
211.11035	2.8
213.12753	7.5
215.14311	85.5
215.16322	5.2
217.12206	2.6
223.14861	3.0
227.12779	32.2
231.13896	3.0
233.15346	5.8
237.12871	2.6
241.12163	5.6
241.66948	2.4
253.15877	3.3
255.13866	4.0
266.13251	2.6
271.17023	7.9
277.14337	5.4
295.15454	8.8
315.15677	2.2
321.22220	3.7
339.23288	6.1
349.21558	14.0
367.22708	33.4
379.71793	2.2
385.23752	26.1
403.24753	7.7
423.25406	4.0
441.26352	42.6
459.27496	66.0
460.27493	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	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.3
57.03424	3.1
57.07082	4.2
57.71616	3.0
65.03942	4.0
67.05503	28.7
69.03431	12.0
69.07064	11.6
70.06603	3.6
71.04995	4.2
78.04726	2.9
79.05499	11.0
79.66476	2.9
81.03419	6.8
81.07051	26.1
83.04981	14.7
83.08625	6.0
83.54865	2.8
85.02889	9.1
91.05492	15.1
93.07057	18.0
95.04983	4.4
95.08611	30.0
95.44199	2.9
97.10173	5.1
99.08096	4.5
99.47415	2.9
105.07040	13.4
107.04974	7.8
107.08603	25.0
109.02866	3.2
109.06547	7.5
109.10159	100.0
111.08102	4.5
115.05459	5.1
116.06212	3.0
117.07018	4.7
119.01414	3.3
119.08578	38.3
120.23209	2.6
121.06532	2.9
121.10169	17.6
123.04491	3.2
123.08037	16.4
123.11720	7.3
125.09588	3.4
127.03985	4.3
128.06215	7.1
129.07014	16.2
131.08592	19.1
133.06462	4.3
133.10138	21.7
135.11691	93.4
136.06216	3.3
137.09613	18.2
139.11200	3.6
141.06964	6.6
143.08618	3.4
144.05707	12.8
145.06487	9.2
146.07257	4.8
147.08037	3.8
149.05942	3.3
149.13237	5.4
151.11177	7.1
151.14851	11.8
153.06958	3.5
157.06474	7.9
158.07191	3.2
159.08076	28.0
161.06001	4.5
161.09573	5.6
163.11208	4.4
165.16389	4.1
167.07028	83.7
170.07193	4.6
171.07968	7.0
175.07556	3.8
175.14825	41.1
181.08629	3.9
187.06090	3.5
187.07494	15.9
189.05356	4.6
189.09186	4.8
190.06149	4.0
193.08533	3.6
193.15881	47.3
204.07843	9.2
205.08438	3.1
210.05786	2.9
211.09676	7.3
211.16920	89.9
216.07797	5.1
217.08598	3.1
219.58269	3.0
221.11655	4.0
229.25172	3.9
231.10143	6.2
249.11235	69.0
250.11392	3.2
297.03992	4.0
367.22592	5.7
459.20074	32.5
459.27341	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01871	3.4
55.05509	12.2
57.03444	2.2
57.07077	2.4
58.99528	2.0
65.03506	1.9
67.05497	19.6
69.03441	11.6
69.07072	11.1
70.06577	5.1
70.90836	4.0
71.05006	2.2
72.08169	2.3
73.02887	1.9
79.05485	7.7
81.03407	7.4
81.07059	21.9
83.04974	11.2
83.08620	8.1
84.04489	2.2
84.08120	6.2
85.02911	14.8
85.06535	3.3
86.09705	2.8
86.56358	1.8
87.00843	3.1
91.05482	10.0
93.07040	19.2
95.04971	6.2
95.08604	34.9
97.02883	6.1
97.06512	2.2
97.10150	2.9
99.08089	6.1
100.11217	2.3
104.29720	1.8
105.01846	2.4
105.07043	10.5
107.04965	2.6
107.08597	21.3
109.02850	4.0
109.06492	9.6
109.10154	100.0
111.08078	4.2
115.05396	2.1
117.06973	3.0
119.04936	2.0
119.08584	36.0
121.06509	3.7
121.10144	16.3
123.04419	2.6
123.08084	10.5
123.11709	7.0
123.58220	1.8
127.03914	5.9
129.06937	1.9
131.08591	5.8
133.10120	22.5
134.55600	2.1
135.11690	86.5
136.06192	2.3
137.09598	15.1
145.04974	2.4
145.06450	3.2
145.10118	4.7
149.13263	7.2
151.11180	8.1
151.14818	9.7
159.02832	2.3
159.08153	2.2
161.23659	2.0
163.11201	1.9
165.07033	2.2
165.09103	2.3
165.16425	3.2
167.07022	7.7
172.98065	1.6
175.14815	39.8
177.05328	2.1
187.07491	2.4
187.48338	1.9
193.12152	2.9
193.15889	57.0
194.16275	2.1
211.16927	50.0
249.11221	6.2
266.10294	2.9
293.22839	2.5
356.02289	2.3
395.86346	2.1
451.64532	1.9
453.58890	1.8
459.05325	2.2
459.14108	17.2
459.27158	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	459.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26862	0.7
53.03937	1.6
54.26008	0.7
55.01842	2.0
55.05481	2.0
56.96556	1.0
57.03415	2.5
58.85813	0.6
65.03917	1.2
67.05510	4.3
69.03398	3.2
69.07049	1.9
69.45514	1.2
69.45919	5.0
70.06553	0.7
70.39908	0.7
71.01324	1.4
71.04976	1.1
73.02898	1.3
73.07174	0.7
78.04687	1.5
79.05497	6.5
81.03396	3.0
81.07057	5.1
83.04971	1.6
83.08596	1.8
84.08128	1.2
85.02896	4.0
85.06509	0.7
86.09701	0.9
91.05476	11.8
93.07035	6.0
95.04956	3.4
95.08597	2.7
97.02888	3.1
97.10194	1.0
99.04436	0.9
103.05445	3.1
105.07023	7.6
106.04198	0.9
107.04951	5.4
107.08597	7.2
109.06516	1.4
109.10151	4.7
111.08112	0.6
113.02354	1.2
115.05426	5.3
116.06219	2.6
117.07015	5.3
119.04939	1.6
119.08560	3.8
121.06494	4.6
121.10159	3.8
123.04439	5.4
123.08060	1.7
123.11714	1.0
124.05206	2.2
125.09599	1.3
128.06215	8.8
129.07008	23.7
130.07767	1.1
131.04936	4.1
131.08565	18.8
132.05710	0.8
133.06470	4.4
133.10101	2.9
135.04379	0.8
135.08031	1.6
135.11700	4.8
136.06197	0.8
137.05942	3.4
137.09613	1.3
139.05411	0.7
141.06981	7.2
142.07837	3.4
143.04904	0.9
143.08586	4.0
144.05698	9.8
145.06488	8.5
145.10123	2.5
146.07249	3.3
147.04404	1.7
147.08031	1.4
147.11714	1.2
149.05974	2.2
149.09630	1.8
151.03902	1.1
151.11247	0.9
153.05492	1.5
153.06953	1.5
155.05997	1.1
156.05690	1.0
157.06499	9.7
157.09990	0.9
158.07239	1.9
159.08055	30.8
161.05969	4.4
161.09601	8.1
163.07571	0.8
163.11153	4.4
165.05542	1.3
167.07036	100.0
168.07387	0.8
169.06415	1.6
169.07674	2.1
170.07254	5.8
171.08051	8.0
172.05133	3.3
173.05933	3.8
173.09491	0.8
174.06747	2.6
175.07573	3.5
175.14828	2.1
177.05530	1.2
178.06285	1.5
179.07036	1.0
181.08678	4.4
181.09995	1.0
181.12265	0.9
185.05969	1.3
185.09657	0.7
187.05898	1.2
187.07542	17.9
188.08264	1.3
189.05418	4.2
189.09109	9.1
190.06302	1.2
191.07047	1.9
191.10684	2.0
193.08624	4.4
193.12215	1.7
193.15851	2.4
195.79781	0.9
198.06819	2.0
199.07535	1.9
201.05449	1.0
203.06987	4.1
204.07796	12.6
205.08614	1.3
206.09470	1.5
211.09656	6.9
211.16904	2.3
216.07788	3.6
217.08571	2.4
218.09418	1.3
219.10158	2.9
221.08006	0.9
221.11754	3.0
231.10204	9.9
234.08884	1.1
249.11217	77.2
250.11378	0.8
266.10260	1.0
273.15027	1.2
283.15378	1.1
349.21674	1.8
367.22821	2.4
385.23724	3.1
403.24921	1.2
459.20200	36.4
459.27350	4.7
459.38153	1.0
460.20468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.6
57.32911	0.5
62.57825	0.5
69.07063	0.5
69.88621	1.9
69.89035	0.9
70.06593	1.6
72.08156	2.2
76.84956	0.5
79.05460	0.6
81.07062	0.6
84.04520	0.7
84.08141	1.5
85.02916	0.8
86.09708	3.2
91.05483	1.7
93.07030	0.7
95.04970	0.6
98.20891	0.7
107.04979	0.8
119.01956	0.7
119.04927	0.5
120.04457	0.9
120.08112	1.5
121.10176	0.5
125.00794	0.5
135.11748	0.5
136.07626	0.8
137.06003	0.7
147.04462	1.6
161.03011	0.9
163.03911	0.8
191.05150	0.5
193.12006	0.6
211.13033	5.2
221.05008	0.7
227.05379	1.4
235.11972	0.6
239.12445	0.5
253.12895	1.0
256.47159	0.5
265.78510	0.5
297.03769	2.4
299.94177	0.5
328.60239	0.5
355.16821	1.0
373.18246	9.5
384.62225	0.6
397.18277	2.9
415.19360	34.2
441.17285	3.1
459.18362	100.0
460.18579	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	459.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.9
55.05506	1.0
68.05019	1.0
69.03401	1.0
70.06592	3.7
70.89703	1.6
70.90038	1.7
71.04971	0.8
72.08150	2.5
79.05048	0.8
79.05495	2.4
81.07057	1.8
81.92883	0.8
84.08148	6.2
85.02889	0.9
86.09715	3.2
91.05486	2.4
93.07040	9.3
95.04930	1.2
97.02897	1.0
107.08588	2.3
111.04433	1.0
112.07568	0.9
120.08102	0.9
121.10122	5.8
129.10240	1.6
131.08548	1.0
135.11818	0.9
136.07645	1.0
136.75700	0.8
137.90570	1.1
147.04376	1.3
177.02652	0.8
193.12003	1.9
195.13490	1.3
203.05235	1.6
211.13052	7.2
227.05376	1.6
229.03214	1.2
243.04768	1.6
245.06331	6.4
253.12985	1.2
271.04340	1.9
287.03680	10.9
289.05283	26.5
295.20197	3.8
313.21213	4.9
362.78729	1.0
373.18253	5.4
389.50415	1.0
397.18344	1.0
415.19376	28.4
416.19461	0.8
441.17215	1.0
459.18356	100.0
460.18970	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01877	3.1
55.05519	2.7
57.03414	2.1
65.03922	2.1
67.05490	1.5
68.99779	1.3
69.03413	1.3
69.07048	0.6
70.06595	6.1
70.92327	1.5
71.04971	0.7
72.08153	25.2
72.46099	0.6
73.02888	1.3
74.06067	0.6
74.84466	0.5
79.05485	2.7
81.03410	4.4
81.07039	1.5
83.01341	2.0
83.04965	1.7
84.04504	3.0
84.08147	2.6
84.19769	0.5
84.38856	0.5
85.02430	0.8
85.02905	11.9
86.09706	19.4
87.10014	0.6
89.03911	0.7
91.05466	4.0
93.03402	9.3
94.07293	0.5
95.01344	1.1
95.04990	3.2
97.02870	1.5
97.76451	0.5
102.05548	0.8
103.03963	3.0
103.05455	2.0
105.03369	1.5
105.06993	2.2
106.06564	0.5
107.01326	1.3
107.04949	4.9
107.89933	0.6
109.02878	7.4
109.06511	4.5
110.07121	0.9
111.00812	0.8
111.04430	4.2
115.05400	1.6
117.06999	1.0
119.04933	6.9
121.02879	8.5
121.06511	1.3
123.04410	3.2
123.08186	0.7
125.02372	0.8
127.03921	1.9
129.10233	1.4
130.04961	1.1
131.04926	4.2
132.05272	0.9
133.02853	0.8
133.06461	2.3
135.04420	4.4
136.07504	0.6
137.02341	1.5
137.06001	3.5
139.03882	2.9
143.04886	1.3
143.11841	0.6
145.02835	2.2
145.06451	0.8
147.04398	9.6
148.06058	3.9
149.02354	4.0
149.05968	2.5
151.03955	3.0
151.04965	0.6
153.01814	2.3
157.06435	0.6
159.04430	3.5
161.02315	2.0
161.06009	3.1
163.03923	5.6
163.07648	0.6
165.01816	1.2
165.05450	1.7
167.03458	0.7
171.04433	1.4
171.14940	5.9
173.02354	3.2
173.06026	1.1
175.00217	3.4
175.03889	1.9
177.01866	5.7
177.05437	4.7
179.03369	0.7
182.04912	0.9
185.16539	1.3
187.03912	5.5
189.01836	7.7
189.05449	2.0
191.03404	7.1
191.69789	0.6
193.01350	2.4
194.02095	0.9
195.01122	0.8
195.02884	12.5
199.03951	1.1
199.14415	5.7
201.01868	1.6
201.05502	1.9
203.03380	1.7
205.01324	4.3
205.04900	4.6
205.08598	0.8
206.08928	0.6
207.02884	16.7
208.03006	1.6
209.04463	1.7
213.15895	1.3
215.03345	3.4
217.01408	1.0
217.04927	1.2
219.02882	70.9
220.03210	1.0
221.04453	1.3
223.02356	9.5
225.03943	19.5
227.17545	0.6
228.04228	0.6
229.04953	3.1
231.02834	2.0
233.04443	21.9
235.02312	1.0
237.03964	1.5
243.02913	1.5
245.04416	2.8
247.02411	0.8
247.06004	1.7
247.12883	0.8
249.03940	4.1
251.05362	3.5
257.04486	4.2
259.02405	1.1
261.03940	100.0
261.14420	9.6
262.04294	1.6
273.03943	14.3
274.04456	0.7
275.05582	1.8
285.03934	12.4
287.05798	0.6
291.04987	10.5
297.07523	2.0
303.04990	28.9
304.05115	0.7
309.07523	3.3
312.22879	0.7
321.06003	16.8
325.07104	3.7
327.08609	19.3
339.07928	21.8
363.08670	1.1
381.09698	12.7
393.09650	13.4
394.09674	0.6
405.09689	5.3
411.10809	0.7
423.10675	3.4
441.11765	3.5
459.12738	2.3
459.18546	1.2
459.25137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3673
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.94787	3.4
53.34110	3.3
55.05511	17.1
57.07066	3.9
67.05500	18.5
69.03426	29.5
69.07065	22.6
70.18821	14.1
71.04992	31.2
75.30901	3.6
79.05481	16.0
81.07051	42.5
83.04974	5.0
83.08609	15.5
85.06546	7.1
91.05477	20.0
93.07043	41.8
95.04971	6.3
95.08600	55.3
97.06538	9.4
97.10146	9.1
99.08080	25.5
99.81269	3.2
105.07033	34.5
107.08594	69.0
109.10142	37.8
111.08080	7.1
113.09631	4.2
117.07018	7.4
119.08575	75.4
120.44126	3.5
121.10143	59.9
123.08056	9.4
123.11718	17.5
125.09625	71.6
127.07573	14.1
127.11170	13.6
131.08568	12.3
133.09117	5.6
133.10130	100.0
135.08116	5.5
135.11691	42.5
137.09596	7.2
137.13280	7.0
140.41396	4.6
143.08586	4.7
143.10669	40.3
145.10121	38.7
147.11676	56.3
149.09615	5.1
149.13292	26.6
151.11169	7.3
155.08626	3.7
155.10684	4.3
157.10121	8.6
159.11713	38.1
161.13268	21.9
163.10020	3.3
163.11145	17.9
163.14816	9.0
165.12753	5.5
169.10150	4.4
169.12245	6.9
171.11649	10.0
173.13232	14.3
175.11176	4.6
175.14833	13.3
177.12764	15.2
177.16399	12.9
185.13222	3.6
187.14787	19.6
189.12703	7.3
189.16403	13.1
191.14346	4.2
191.17889	11.6
193.15907	10.5
199.14816	7.0
201.16345	31.3
203.14349	6.9
203.17961	17.5
203.19545	3.3
205.14018	7.5
205.15877	73.2
207.17366	4.3
211.16867	17.6
213.16281	7.3
215.17911	20.0
217.15883	8.8
219.17447	21.2
220.75388	4.9
221.18976	11.5
227.17932	6.8
229.19492	3.6
231.17497	11.9
233.18990	11.4
238.21288	3.1
241.19543	6.4
245.19078	7.3
251.19855	5.0
253.19579	3.4
256.26431	3.8
257.19052	6.5
259.20502	7.0
261.22156	4.4
269.22604	4.7
329.28607	4.6
341.28397	7.1
353.28036	7.2
395.32965	7.2
421.34674	31.8
439.36127	42.3
457.36963	43.0
458.90591	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18791	3.3
55.01867	15.2
55.05514	33.6
57.03435	47.0
57.07063	10.5
58.65535	3.7
58.88514	3.1
59.04995	8.2
61.51153	3.4
67.05171	5.1
67.05504	62.3
69.03434	23.0
69.07066	39.1
71.04984	18.5
71.08646	18.5
71.08971	3.6
71.58153	4.2
71.58511	6.0
73.02914	5.0
79.05495	31.6
81.07055	84.6
83.04979	18.3
83.08619	36.2
84.04476	4.7
84.05762	21.1
85.02914	9.9
85.06535	15.1
87.04466	30.5
91.05493	25.6
93.07037	55.5
95.04971	10.3
95.08604	100.0
97.02850	4.6
97.06532	24.0
97.10188	12.1
98.07317	7.4
99.04452	9.3
99.08086	10.6
105.07017	23.5
107.08588	43.7
109.06512	14.0
109.10162	42.5
111.04436	8.4
111.08083	23.8
112.08821	3.7
113.05994	5.1
113.15902	4.5
116.04723	6.0
119.08582	28.1
121.10144	38.4
123.08070	8.6
123.11777	5.3
125.09636	13.2
127.07545	5.9
127.11176	4.5
129.05470	37.6
131.08572	15.7
133.10120	20.2
135.08023	4.8
135.11681	21.9
137.09581	6.3
140.98164	3.7
143.07042	4.5
143.10768	3.7
145.10120	8.4
147.11691	22.3
149.09625	10.4
149.13223	25.6
159.11673	6.6
161.13268	14.4
163.14775	5.0
165.09096	3.9
167.10545	4.3
167.14330	9.3
171.11739	4.7
171.13875	18.8
175.14821	14.1
177.16418	7.6
179.14221	5.0
185.11731	7.5
185.13252	5.0
187.14865	12.9
193.15807	6.0
195.17416	10.2
203.14336	7.0
205.15886	5.3
207.14369	3.3
221.15356	12.0
223.16927	42.6
225.18434	20.8
231.15987	12.2
239.16443	8.8
240.17197	7.3
241.17996	13.5
243.19559	5.2
249.18387	5.4
257.17520	60.5
258.18164	4.0
267.19495	5.8
297.20679	10.3
313.20081	96.8
314.20792	25.6
315.21573	42.2
347.25705	4.1
439.30975	5.3
457.31653	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01860	3.2
55.05505	12.5
57.03439	3.3
57.07069	3.7
67.05501	15.0
69.03421	3.4
69.07063	11.6
71.04995	3.2
71.08621	3.6
71.59351	2.0
79.05483	10.1
81.07051	21.1
81.07816	1.6
83.04986	8.5
83.08601	5.4
84.04518	9.7
85.02898	6.0
85.06526	3.4
91.05473	11.4
93.07039	20.5
95.04942	4.3
95.08601	16.7
97.06526	5.3
97.10120	2.0
105.07021	9.3
107.04977	2.4
107.08591	16.4
107.21625	1.4
109.06516	11.5
109.10169	8.1
111.04443	25.7
111.08031	3.6
117.07021	4.8
119.08559	12.8
121.06503	2.3
121.10147	12.2
122.07290	1.7
123.08060	20.4
123.11691	2.4
125.05994	19.6
125.09602	1.9
129.05566	2.3
129.07019	3.8
130.05013	2.4
131.08528	6.1
133.10143	7.6
135.08009	7.2
135.11681	8.6
137.05974	20.5
137.06929	2.0
137.09628	2.1
137.13182	1.5
139.07541	1.7
143.08548	4.9
145.10127	7.3
147.04355	1.7
147.08008	2.8
147.11642	5.2
149.02293	1.7
149.09612	5.6
149.13181	2.2
151.07510	1.8
153.12752	3.4
155.08556	3.0
157.10124	3.1
159.11690	3.1
161.09647	3.0
163.11171	6.2
165.09175	1.6
165.12729	2.0
167.10561	1.6
169.10104	2.2
175.11246	3.5
175.14853	2.0
177.12794	2.8
177.16432	1.7
179.14311	27.9
181.12201	11.5
183.11577	1.7
184.07448	2.2
185.13396	1.6
195.13847	7.0
201.16409	1.6
203.17952	2.4
213.16312	2.1
249.18268	1.9
277.14999	2.1
277.17993	5.1
303.26892	2.4
331.26343	18.2
344.72183	2.0
347.26147	2.5
349.27142	3.7
351.21576	1.6
367.24606	2.1
372.81439	1.8
383.21915	3.2
423.31039	100.0
424.31519	5.8
457.25308	2.9
457.36481	2.1
465.26721	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2407
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
56.96530	0.6
64.61028	0.5
67.05510	0.6
69.03441	0.8
70.06605	1.6
70.38195	0.7
70.38596	1.3
71.04990	0.9
72.08148	1.0
78.47922	0.4
79.05495	0.8
81.03408	0.7
81.07045	0.6
82.42381	0.4
83.04961	0.6
84.04507	0.6
84.08155	1.4
85.02896	1.0
86.09721	1.0
91.05491	0.7
93.07048	1.8
95.04945	0.7
95.08631	0.9
97.02898	1.1
98.97564	0.7
104.02250	0.5
105.07025	1.0
107.08710	0.4
119.04968	0.9
119.08577	0.9
121.06513	0.5
121.10168	0.7
127.03910	0.6
133.10139	0.8
135.08078	0.6
136.06169	3.3
145.10216	0.5
147.04401	1.9
147.07971	0.4
149.06104	0.6
149.09616	0.9
152.05690	1.7
159.01096	0.5
161.09714	0.7
167.07039	0.9
177.05463	0.6
188.65062	0.5
191.14290	0.6
192.10233	0.5
203.05226	3.1
219.02478	0.8
265.11719	0.9
266.12100	0.6
277.17767	6.5
295.18808	0.8
303.10623	1.7
329.11176	0.5
353.86707	0.6
354.20059	0.6
367.21078	0.6
369.18964	1.8
371.16602	0.8
419.62238	0.5
439.23145	1.5
457.24109	100.0
458.24643	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	457.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.03018	0.9
55.05508	2.8
56.96557	1.5
57.03418	1.3
58.60338	1.1
60.05643	3.5
68.05042	0.9
69.03418	1.9
70.06603	4.4
71.56641	1.2
72.07755	1.3
72.08156	25.3
73.06461	1.4
77.89227	0.9
84.08146	5.1
85.02901	3.0
86.07186	2.8
86.09670	1.0
87.07967	2.9
97.07654	7.3
98.06056	8.0
98.97598	1.0
100.08754	1.4
103.05461	1.1
110.07172	1.2
114.09121	1.4
114.10294	27.0
115.08687	4.6
116.98680	1.1
129.07047	1.6
131.04950	2.9
131.12920	8.7
131.44356	0.9
136.06242	1.2
137.05995	2.9
140.08162	1.3
141.06992	1.7
143.04935	2.9
145.02846	5.7
145.06497	1.0
147.04439	2.5
149.05971	9.3
151.07521	1.4
153.05504	1.4
157.06505	2.3
157.10889	4.2
159.04431	1.3
161.05946	1.7
163.07533	1.2
169.06502	2.4
170.06647	1.2
171.04350	1.4
175.07558	4.3
177.05467	29.2
178.06058	1.0
185.06053	1.7
187.07576	1.7
188.07481	1.1
189.05475	2.8
189.09120	1.3
191.07100	4.0
197.06035	1.4
199.07603	1.4
201.05463	1.3
203.07063	3.8
207.06532	1.5
212.04698	2.1
215.07149	1.1
217.08652	3.8
218.08093	1.4
219.06580	5.8
227.07076	9.1
229.08643	3.9
230.08176	2.1
231.06586	1.3
237.07657	1.3
240.51192	1.0
243.06648	1.9
245.08105	9.5
247.14552	1.7
249.07669	1.6
255.06595	3.6
260.12793	1.6
272.12781	2.6
273.07593	7.9
275.14114	1.1
289.15454	1.1
290.13901	5.6
295.06793	1.1
314.14941	2.2
326.13846	1.4
332.16040	2.0
346.09811	1.4
349.18680	5.8
362.15948	1.3
367.19720	5.3
368.16055	1.9
374.17264	1.1
403.19836	1.8
421.20862	3.5
439.21939	25.6
457.22964	100.0
458.23233	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.3
55.01861	6.5
55.05497	7.7
55.70096	3.9
57.03427	4.7
67.05499	19.6
68.99822	4.4
69.03423	26.8
69.07042	8.2
70.06580	13.1
70.11939	18.2
72.08138	9.3
79.05492	21.1
81.03404	13.6
81.07059	28.4
83.04951	11.4
84.08125	14.5
85.02892	20.6
86.09699	17.9
87.00819	5.1
91.05476	29.3
93.07037	22.8
95.04944	12.1
95.08599	15.7
97.02887	14.3
97.06548	6.7
98.21471	3.9
103.05464	5.6
105.01852	3.7
105.07036	26.3
107.04947	9.9
107.08580	32.6
109.02830	6.5
109.06501	11.8
109.10134	12.5
111.08050	5.2
117.07010	7.5
119.04957	7.8
119.08579	17.8
121.06496	13.5
121.10149	38.2
122.07280	5.6
123.08048	6.3
123.11679	3.8
127.03921	12.8
131.08542	14.5
133.02873	3.9
133.06528	4.8
133.10123	100.0
135.04396	5.8
135.08032	10.2
136.06221	11.0
137.05934	4.1
137.09604	41.2
143.08505	5.1
145.10081	9.3
147.04356	15.5
147.08014	12.3
147.11685	11.1
149.09612	14.6
149.13203	12.9
151.11157	19.8
161.05942	3.8
163.03897	22.1
165.12770	19.3
167.08485	3.9
171.11632	5.0
173.13205	13.7
175.03885	4.7
175.11201	5.2
177.05449	10.3
187.11166	4.7
189.12688	4.7
191.14316	51.2
199.11214	6.1
209.15344	50.1
233.11656	8.0
239.06555	3.3
243.10071	7.3
279.12399	6.2
280.81940	3.4
293.13727	4.8
333.13141	4.5
335.14651	8.0
387.56274	4.6
389.20282	3.5
457.16730	6.6
457.23904	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	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33095	2.1
53.03943	3.6
55.05503	9.5
57.03425	5.5
67.05513	13.8
69.03428	19.9
69.07085	14.1
69.94112	6.6
69.94554	7.0
70.06612	2.4
71.04982	5.9
72.08151	2.6
73.02913	3.1
79.05479	15.0
81.03424	11.8
81.07043	18.2
83.01326	2.7
83.04979	14.1
83.08620	3.4
84.08138	5.8
85.02901	16.8
86.09704	5.1
87.00826	5.6
91.05481	11.0
93.07043	19.4
95.01307	2.9
95.04980	9.2
95.08599	29.5
97.02874	7.6
97.06525	6.7
99.04430	2.9
99.08065	6.9
105.01873	2.8
105.07021	18.6
107.04936	3.9
107.08591	43.2
109.02851	6.3
109.06508	10.1
109.10151	19.8
111.08092	3.6
117.01872	2.7
117.07019	4.6
119.04956	3.6
119.08559	9.6
121.06529	4.7
121.10139	51.3
122.07269	3.3
123.04436	3.6
123.08047	6.7
123.11717	5.5
125.02402	3.4
125.09620	12.9
127.03899	8.3
131.08575	7.5
133.06503	4.1
133.10115	14.3
135.04437	2.6
135.08060	17.2
135.11684	7.2
137.09621	15.5
139.11180	7.9
143.08601	5.3
145.04953	3.2
145.10126	7.0
147.04417	5.2
147.08055	3.7
147.11676	11.2
149.05995	2.4
149.09631	17.6
149.13272	19.9
151.03911	2.9
151.11186	100.0
153.09030	5.4
157.10034	2.1
158.10846	3.9
161.05968	2.5
161.09610	3.9
163.03857	6.2
163.14830	18.7
165.12756	11.9
173.13226	16.8
191.14299	97.6
191.33679	2.8
198.97179	2.3
209.15356	80.9
249.14821	2.5
287.12772	4.5
295.05939	2.6
305.13794	2.6
315.13013	2.8
323.14954	5.4
367.20706	2.6
439.19864	6.0
457.14697	2.7
457.24130	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54322	1.1
53.03939	3.4
55.01857	1.9
55.05497	2.5
56.96557	0.9
57.03434	2.8
57.07058	1.1
60.48694	0.8
61.02921	1.5
63.85965	0.7
67.05482	3.6
68.99772	0.9
69.03429	12.8
69.07069	2.1
70.06584	1.5
71.04992	2.1
73.02912	2.6
79.05484	3.5
81.03412	12.0
81.07061	5.9
81.69846	0.8
83.04967	2.3
84.04461	0.8
84.08116	1.8
85.02905	16.0
86.09695	1.2
87.00823	5.5
91.05474	6.5
92.86566	0.8
93.07040	4.9
95.04964	5.3
95.08628	4.5
97.02900	6.3
98.20708	1.8
98.97550	1.3
99.04438	4.4
99.08086	1.1
105.01834	4.3
105.07028	8.7
107.04969	1.2
107.08599	7.7
109.02875	6.5
109.06515	5.3
109.10125	2.3
116.98606	1.2
117.06982	2.2
119.08578	5.6
121.10148	13.8
122.07294	1.5
123.08064	4.3
123.11684	2.9
125.02383	0.9
126.31291	0.9
127.03918	12.0
131.08571	3.3
133.10126	11.7
135.04369	1.3
135.08049	3.1
135.11655	1.5
136.06232	1.0
137.09616	16.4
143.08536	1.2
145.04951	2.8
145.10132	2.4
147.04352	1.2
147.08038	1.1
147.11636	3.4
149.09647	5.8
149.13268	6.6
151.11188	18.8
158.10829	0.8
159.02869	4.7
161.09607	1.2
163.03902	1.4
163.14838	1.2
165.12750	30.6
166.13179	1.0
173.13248	6.3
191.14288	10.5
193.15860	3.1
209.15366	100.0
210.15631	2.3
219.01781	1.3
230.48755	0.9
231.05099	1.6
237.02783	3.7
245.10571	1.4
334.55652	0.8
358.89252	1.0
371.13699	2.8
389.14877	5.5
457.14508	6.0
457.24158	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07896	0.4
55.01860	0.8
55.05509	0.7
56.89854	0.4
57.03413	0.5
65.47031	0.4
67.05505	0.8
69.03415	1.6
69.07053	0.6
70.06592	6.6
70.83868	0.6
70.84226	1.4
71.04991	1.3
72.08155	1.9
74.06078	0.4
74.33150	0.4
79.05492	2.1
81.03413	1.0
81.07055	3.5
83.04988	0.6
84.04507	1.2
84.08146	1.7
85.02885	2.1
86.09706	5.5
91.05488	1.8
92.71508	0.5
93.07047	1.9
95.04974	1.1
95.08604	0.5
97.02892	2.2
99.04430	0.7
101.07117	0.6
103.05488	0.7
105.07050	1.1
107.04926	0.6
107.08598	1.2
109.02687	1.8
109.06529	1.1
110.07169	0.8
116.07096	0.6
119.08566	0.7
120.08075	2.4
121.06508	1.1
121.10150	2.1
127.03909	1.1
129.10254	0.8
133.10156	1.3
136.06174	0.6
144.06458	0.4
147.04410	1.0
149.05928	0.7
149.09610	1.2
152.05681	0.6
170.06012	0.4
175.77794	0.4
177.05511	1.5
177.57597	0.5
178.05820	0.5
178.08620	0.4
181.08707	0.7
183.14931	0.7
185.04283	0.8
185.09319	0.6
191.10452	4.3
191.14282	1.0
196.06143	0.5
203.05287	1.5
209.08321	0.7
209.11482	12.6
209.13356	0.9
209.15451	0.5
213.08699	0.9
237.11005	2.4
245.06328	2.8
251.12578	0.6
289.05225	2.3
295.16379	0.8
315.77893	0.5
326.17029	0.7
353.15781	2.1
371.16751	15.9
372.17035	0.7
387.20032	0.5
413.17819	43.0
414.18259	1.6
457.16898	100.0
457.24020	19.6
458.17343	5.6
458.23685	1.0
477.31546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1495
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
55.05478	1.1
57.03396	0.9
63.00389	0.6
67.01829	1.4
67.05470	1.0
68.99783	0.6
69.03385	2.2
69.07032	0.8
70.04020	1.0
70.04430	1.6
71.04961	1.2
79.05454	1.2
81.03410	0.6
81.07013	1.6
83.04935	1.3
85.02906	2.7
91.05486	3.3
93.07047	4.8
95.04911	0.9
95.08591	0.8
97.06461	0.6
98.09651	0.6
99.04386	0.6
103.05430	0.7
105.06994	1.2
107.08578	1.4
109.06494	0.6
111.04375	2.4
117.06998	1.1
119.08509	2.2
121.06392	0.8
121.10159	4.5
125.02313	1.7
129.05402	0.6
129.06960	1.3
131.08504	1.2
135.08000	0.7
144.05692	2.9
145.06445	0.7
146.07368	0.7
147.08060	1.0
149.09621	1.2
151.03889	0.6
153.05418	0.9
157.10074	0.7
159.08075	3.0
159.11617	1.0
161.05966	1.4
163.07608	3.0
167.03401	39.2
167.10483	0.7
174.06781	0.9
177.05431	1.0
179.03387	2.0
185.04413	0.6
185.05904	1.0
187.07555	5.7
189.05432	1.5
189.09148	1.1
191.07031	1.3
201.05473	1.5
202.06212	2.3
203.06998	2.1
204.07805	2.0
209.04541	1.1
215.06985	1.4
217.04945	1.6
219.06531	3.8
219.10051	1.4
227.06990	3.1
230.05595	0.8
231.06390	1.2
232.07320	1.3
239.06921	1.0
243.06433	1.1
247.09705	1.1
255.06551	1.1
257.08069	1.0
258.05270	0.9
265.08609	1.1
267.06512	1.3
269.08118	1.2
273.07495	2.0
276.06155	1.0
282.05151	2.1
282.08609	1.2
283.06030	0.9
283.09848	0.6
285.04089	0.6
285.07526	0.9
293.08173	1.3
294.08743	0.8
295.05963	2.5
297.04092	0.8
297.07367	0.8
297.11154	1.1
299.05389	0.7
309.07562	1.4
309.11057	0.7
310.08298	2.3
311.09152	0.8
312.06253	1.3
313.07263	0.7
315.08655	2.1
321.07590	1.1
323.05362	1.6
324.06284	0.6
325.07025	12.2
325.10709	7.0
326.04062	0.7
326.07574	1.3
335.05566	0.6
337.03323	1.4
337.07104	1.6
338.07825	3.5
339.08667	2.0
341.06644	2.0
349.07037	1.1
350.07935	1.0
351.04773	1.3
352.05804	0.9
353.06036	1.2
353.10147	13.6
355.08084	1.6
365.06802	2.1
366.07291	11.7
367.08005	1.1
369.09705	3.9
370.06604	1.0
370.10696	1.4
380.08508	0.7
381.09683	46.0
382.10049	3.3
398.09857	5.1
399.10675	2.3
407.11615	0.7
413.12305	100.0
414.12421	3.3
425.12387	1.7
439.14334	0.8
457.14951	45.6
458.15305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1118
Annotation	Riboflavin monophosphate
Peak:m/z	Relative Intensity
53.03959	5.3
53.04166	1.0
55.01864	1.7
55.05496	1.5
56.05033	1.2
56.44476	1.0
56.96562	1.0
57.03441	8.7
58.67361	0.9
59.04990	4.5
69.03430	16.8
69.56901	7.6
70.06593	11.9
71.05000	9.0
72.08156	5.3
73.02917	4.4
81.03419	27.0
81.07072	1.4
84.04504	2.7
84.08142	7.0
85.02898	2.0
86.09698	4.3
87.04454	1.9
91.05482	4.2
93.07036	2.1
95.04962	1.3
97.02853	1.5
98.06023	1.1
98.97756	1.3
98.98463	18.4
99.04445	12.8
102.05546	1.2
103.05463	2.0
105.07018	1.2
110.07158	2.1
116.07079	1.8
116.99613	1.0
117.05495	11.3
119.04977	1.7
119.08592	2.0
127.03915	1.8
129.10225	3.3
131.04913	1.6
136.01091	1.0
136.42233	1.0
145.07620	4.2
147.04402	4.5
147.09117	2.6
157.07646	2.7
159.09187	4.8
163.03955	1.3
170.07135	1.5
171.07880	1.3
172.08694	33.0
173.07153	5.0
173.09042	1.2
173.10680	1.9
175.08650	4.1
177.05562	1.1
184.08690	3.3
185.10744	1.8
186.10208	2.2
190.09732	2.0
197.10858	1.3
198.06660	6.6
198.10283	3.0
199.12418	2.2
200.08163	2.5
208.34793	1.0
209.09157	1.2
210.10304	2.8
211.10968	1.5
214.09753	3.3
216.07680	24.9
218.09340	2.6
219.07681	3.8
224.11896	2.3
226.09877	1.6
229.08482	2.6
236.11839	1.4
243.08789	62.0
244.07033	1.7
244.09210	2.4
252.11292	1.7
285.09915	2.3
286.12674	1.5
295.16614	2.3
323.11316	3.4
334.09677	1.3
341.12540	11.3
359.13501	45.7
360.14093	1.8
362.26776	1.1
369.08392	1.3
377.14539	5.1
385.14246	3.3
396.09528	11.7
397.08029	1.6
399.16196	1.2
414.10645	13.6
421.09055	10.2
439.10159	100.0
440.09912	4.1
457.11191	25.7
457.22412	3.5
458.11621	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60267	2.3
50.95229	2.3
54.69256	2.2
55.05485	2.5
57.25953	2.2
69.67540	2.1
69.74377	17.1
69.83878	2.0
72.08164	20.1
97.07671	6.8
98.06051	6.9
99.67570	2.4
114.10303	16.7
115.08672	5.8
122.60189	2.4
131.12924	7.6
137.05902	2.3
140.08063	2.6
142.41374	2.5
143.36467	2.6
145.02853	4.0
149.05965	6.7
157.06534	2.7
157.10837	3.9
169.06612	2.5
175.07573	3.1
177.05426	22.1
189.05423	3.1
203.07016	4.7
207.06667	2.6
217.08675	3.1
219.06500	2.8
227.07013	5.1
229.08618	4.4
237.02545	3.0
245.08073	5.5
255.06578	3.4
273.07553	5.2
290.14703	3.6
349.18674	8.1
367.19788	7.6
413.08405	5.5
421.20972	3.9
439.21805	23.0
457.07202	31.7
457.11819	41.2
457.22852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
57.03436	5.2
61.02920	6.9
69.03431	15.5
69.07074	1.7
70.06596	12.7
71.04993	4.0
71.57422	2.4
72.08155	3.9
73.02915	6.8
77.37667	1.3
79.05508	2.5
80.87508	1.3
81.03410	6.0
83.08611	1.4
84.04481	1.5
84.08133	2.6
85.02902	100.0
86.09210	1.8
86.09698	12.8
87.04453	2.3
91.03948	6.2
91.05481	2.5
93.07066	1.5
94.46170	1.6
95.01337	23.9
95.05016	1.6
95.96740	1.2
97.02895	24.1
99.00812	2.4
99.04451	3.3
102.79645	1.6
103.03922	3.8
107.04962	1.9
109.02868	5.4
110.07188	1.8
111.08129	1.3
113.02374	5.2
118.06550	2.8
119.04965	1.8
119.07323	18.1
119.08627	2.0
127.03901	27.1
134.06018	4.4
135.06837	3.4
141.01823	64.3
145.02948	2.2
145.04958	48.5
146.03116	1.5
147.04416	6.3
150.05502	2.0
159.02873	10.6
163.06010	23.4
171.11327	2.5
176.07063	2.0
177.03955	4.4
177.05487	4.0
178.05844	2.0
179.06020	1.6
237.09001	2.1
252.10225	3.4
254.11823	5.6
258.21939	1.7
259.65500	1.4
269.12808	9.1
298.10870	2.6
304.32477	1.5
311.92026	1.5
313.22345	2.2
315.13379	27.7
383.19449	1.5
428.21823	6.9
438.20966	1.6
456.23373	6.6
479.83868	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
51.10954	0.8
53.03939	1.3
55.05507	5.6
57.03427	0.8
57.07062	2.2
59.05003	1.2
67.05504	8.7
69.03418	1.4
69.07067	10.0
69.85717	2.0
69.86129	2.9
70.98972	0.7
71.04985	2.5
79.05490	5.3
81.07056	9.2
83.04970	2.7
83.08605	3.9
85.06522	1.0
91.05479	5.1
93.07047	12.2
95.04979	2.3
95.08606	15.6
95.42154	0.7
96.03961	0.8
97.06502	3.6
97.10164	2.0
99.08087	1.0
105.07030	11.2
107.04957	1.4
107.08595	17.8
109.06499	3.4
109.10157	10.6
111.08083	4.7
113.06009	1.1
113.09640	16.0
117.07038	1.3
119.08584	13.7
121.06483	2.2
121.10138	19.0
123.08051	7.3
123.11691	6.0
125.06019	4.1
125.09626	1.6
127.07559	1.9
131.08572	3.5
133.10129	17.7
135.08054	15.7
135.08995	1.3
135.11687	8.1
137.09616	4.2
137.13235	1.5
139.07561	2.1
139.11185	6.1
141.09064	1.1
142.07736	1.0
143.08563	1.7
145.10095	7.9
147.08061	1.3
147.11688	11.2
149.09634	8.4
149.13315	3.9
151.11151	4.0
151.14793	0.8
157.10112	4.7
159.11705	7.2
161.09695	4.4
161.13261	6.7
163.11191	4.2
163.14812	2.5
165.12793	2.3
167.10674	7.1
170.10916	1.0
171.11737	1.9
173.09686	1.8
173.13286	4.9
173.14496	0.8
175.11282	5.3
175.14804	8.0
177.12714	2.6
177.16348	2.0
179.14310	1.1
181.12251	1.7
184.07268	1.1
185.13324	1.5
187.14784	3.7
189.12711	1.9
189.16391	9.0
191.14334	2.3
193.12395	0.7
193.15912	1.2
197.13292	0.9
199.14832	3.1
201.16400	3.2
203.14287	1.7
203.17995	2.4
205.15874	3.5
207.17499	1.1
213.16359	1.8
215.14246	3.6
215.17949	1.9
217.15903	14.4
219.17479	2.3
227.18031	1.2
229.15926	1.2
231.17464	7.6
233.18983	1.1
235.16971	3.3
245.18944	1.1
249.18575	2.5
259.20752	0.8
273.22198	0.8
289.25507	1.1
357.27649	1.4
395.33160	1.8
419.33130	3.7
424.99622	0.8
437.34274	20.4
455.35214	100.0
456.35672	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	455.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.85249	0.9
55.01882	0.9
55.05495	5.7
56.05027	1.5
60.04517	6.3
60.05653	7.9
61.02903	1.4
69.03420	4.6
69.38750	9.9
70.06594	14.5
72.04499	2.1
72.08154	36.2
73.06516	1.3
79.05492	1.0
84.04507	4.3
84.05618	1.5
84.08137	4.1
85.02910	12.1
85.04016	3.1
86.09709	2.7
89.03921	1.6
89.10782	3.7
91.05476	3.8
96.04504	2.1
97.02897	9.4
97.07658	6.3
98.06055	14.1
98.21573	1.7
98.97564	1.6
102.05586	1.0
107.04955	10.3
109.02959	1.3
110.07140	1.4
114.10291	31.0
114.96600	0.9
115.03928	2.8
115.08694	9.7
116.98650	1.2
117.03365	2.7
119.04959	6.6
121.02869	1.3
126.05544	1.7
127.03914	4.2
129.10236	2.2
130.05037	1.1
131.12946	10.7
134.06024	1.4
135.04413	10.1
136.07527	2.2
137.05963	2.2
138.10252	2.3
139.08650	1.4
144.06589	5.4
145.02861	6.9
145.04877	1.1
146.99644	1.1
147.04411	20.7
151.03860	1.4
155.12941	2.3
156.11328	2.8
157.10851	13.4
162.05511	1.5
162.07603	4.8
163.03908	83.1
164.04269	1.7
164.07057	1.2
177.05495	1.4
179.05357	1.3
180.08693	1.6
180.11362	1.0
197.13972	1.6
205.08228	1.3
207.04805	1.4
216.10291	1.8
217.13457	0.9
221.67085	0.9
222.10875	2.6
233.12825	8.4
234.11224	13.0
237.02756	2.3
251.13931	4.7
260.13885	1.2
260.47961	1.1
276.13382	7.7
277.11856	1.5
277.16599	3.9
293.15982	22.3
317.16101	2.7
318.14539	2.4
319.16083	6.0
325.10715	2.1
335.13058	1.3
335.17142	3.9
359.17072	1.7
360.15753	2.1
384.48355	1.1
384.96323	1.0
413.07477	1.9
419.19177	2.7
437.20428	2.5
438.18906	1.4
455.21313	100.0
456.21442	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49400	0.4
54.56035	0.6
55.05492	2.0
57.03429	1.0
60.04535	4.6
60.05643	3.4
62.25536	0.6
64.18014	0.5
69.03413	2.8
69.46765	1.9
69.47189	3.1
69.59917	0.5
70.06593	5.3
70.66354	0.5
72.04505	0.7
72.08154	27.0
81.03397	1.1
84.04484	1.8
84.05604	1.0
85.02905	6.1
85.04012	2.4
89.03908	2.1
89.10786	3.3
91.05476	0.9
96.04460	0.7
97.02905	6.2
97.07633	4.5
98.06031	4.6
99.04446	0.8
103.03902	0.6
107.04948	2.9
109.02877	1.3
114.05528	0.7
114.10290	28.6
115.03915	1.0
115.08683	8.0
115.51612	0.5
117.03333	3.6
119.04946	1.9
120.87312	0.6
122.87370	0.6
123.04424	0.6
126.05499	0.7
127.03944	1.5
128.31241	0.5
131.12923	4.6
135.04398	10.8
136.07626	0.7
138.10220	1.2
139.08640	1.7
144.06581	3.5
145.02831	9.0
145.04848	0.6
147.04408	5.8
155.12871	1.8
156.11348	3.3
157.10840	4.6
162.05508	0.8
162.07635	3.2
163.03896	100.0
164.04230	2.2
168.07683	0.7
180.11292	0.6
188.10869	0.6
197.14003	1.1
205.08232	1.0
210.12425	0.5
216.10229	1.6
222.10840	0.6
233.12830	12.9
234.11256	8.7
251.13863	3.9
257.15991	1.1
276.13391	9.9
276.16074	0.7
277.11694	1.0
277.16678	0.7
293.16034	17.7
317.16110	1.3
318.14813	1.3
319.15988	1.4
335.17130	3.0
359.17093	1.9
360.15640	1.7
365.18375	0.9
419.19189	2.3
420.17941	1.0
437.20749	2.7
438.18826	1.2
455.21329	83.2
456.21603	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	455.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05490	0.7
57.03424	0.7
60.04527	4.2
60.05639	2.6
61.02918	0.7
69.03407	2.3
70.06562	1.6
70.64417	1.1
70.64787	0.9
72.08153	20.0
72.37826	0.5
77.72377	0.5
81.03389	0.7
84.04508	1.0
84.96242	0.5
85.02908	5.9
85.04005	1.2
89.03913	2.2
89.10789	4.2
89.34778	0.5
96.04500	1.2
97.02892	4.9
97.07645	3.9
98.06036	2.0
100.46282	0.5
107.04892	0.8
109.02861	0.8
114.10287	31.9
115.03912	0.9
115.08675	4.5
117.03382	3.4
126.05520	1.2
126.06574	0.8
127.03918	1.1
130.05266	0.5
131.12929	3.7
135.04424	10.4
137.05943	0.6
138.10248	0.6
139.08604	1.7
144.06529	4.2
145.02835	11.6
145.04906	0.9
147.04301	0.7
148.43866	0.5
155.12903	1.5
156.11324	2.6
162.07622	2.3
162.30867	0.5
163.03896	100.0
164.04237	1.1
181.04993	0.5
194.00995	0.6
197.14026	0.8
197.60129	0.5
211.45015	0.5
225.36501	0.6
233.12859	8.5
234.11215	6.5
251.13863	3.4
276.13416	10.3
277.11685	0.8
293.16040	20.2
317.16055	1.4
318.14563	1.8
335.17062	3.6
359.17050	1.0
360.15543	1.5
383.16882	0.7
419.19244	2.6
420.17673	0.7
437.20331	1.2
455.21341	84.7
456.21738	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	455.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63295	0.7
55.02982	0.9
55.05499	1.7
56.05031	0.9
60.04519	6.2
60.05644	6.2
61.02907	1.6
69.03429	2.9
69.48857	7.4
70.06589	8.4
72.07751	1.6
72.08154	30.1
72.50710	0.8
73.78365	0.9
84.05609	1.2
85.02911	7.8
85.04030	2.2
89.03926	1.4
89.10761	4.3
96.04478	1.6
97.02879	6.7
97.07661	5.8
98.06047	9.7
107.04943	5.0
114.10290	31.8
115.03929	1.2
115.08684	7.6
117.03419	2.0
119.04920	2.8
121.90581	0.8
126.05523	1.3
127.03904	2.1
130.09734	1.0
131.12909	8.3
135.04425	8.8
138.10263	1.3
139.08673	2.6
140.08192	1.4
144.06593	5.3
145.02812	6.3
145.05106	1.2
146.00452	0.9
147.04410	14.5
155.12920	1.4
156.11290	2.4
157.10841	10.5
162.05510	1.8
162.07579	4.9
163.03902	73.6
180.11278	0.9
197.13991	1.2
205.08330	1.4
216.10210	3.2
222.10793	1.5
233.12888	8.5
234.11237	8.4
234.13068	0.9
251.13866	2.6
259.10513	1.0
275.14990	1.8
276.13385	11.8
277.11655	1.1
277.16559	1.6
292.15070	2.1
293.15942	21.9
317.16016	1.2
318.14496	1.5
319.16061	4.9
335.17130	3.7
359.17188	1.5
360.15298	2.8
419.19363	3.4
437.20328	5.8
438.19055	1.4
455.21347	100.0
456.21445	3.4
466.56638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52908	0.5
69.86151	2.9
69.86554	1.0
94.93011	0.7
113.41591	0.6
115.38869	0.6
117.85402	0.5
125.81739	0.7
133.65718	0.6
258.26425	0.6
455.11630	100.0
456.11942	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11311	1.6
53.91610	1.9
57.03434	2.3
67.05507	4.8
69.03433	2.9
70.06593	11.3
71.57799	2.0
72.08161	4.3
79.05498	3.6
81.03423	4.6
81.07068	3.3
83.04984	2.6
84.04510	3.9
84.08144	6.0
85.02897	6.2
86.09709	5.6
88.86802	1.9
89.03905	8.6
91.05479	5.2
93.07032	2.2
95.04979	5.2
97.02914	1.8
105.07060	2.8
107.08593	2.6
109.10149	2.6
110.07218	2.0
111.04447	2.7
116.07141	1.7
117.03381	18.1
119.04974	2.8
119.08620	3.4
120.08075	4.3
123.04440	6.1
128.04559	4.2
129.10185	2.0
131.03459	1.8
132.08113	2.4
135.03027	4.4
135.04370	3.2
136.07544	1.9
137.05951	2.0
139.03889	4.8
145.02838	45.0
147.04398	9.8
149.05998	6.3
152.05672	100.0
153.04070	12.0
153.06145	29.8
163.03918	2.3
165.05554	2.1
177.05472	62.6
233.12906	2.1
243.04945	2.3
278.27118	2.1
313.91782	2.0
362.18158	4.1
363.18359	11.3
381.19623	4.2
437.10889	5.7
437.22260	18.2
455.23010	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	454.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
53.74842	0.3
55.05515	1.7
57.03438	0.9
61.02911	0.4
67.05502	8.7
69.03432	0.4
69.07059	1.4
69.26876	3.0
69.27305	1.1
70.06580	0.7
71.04989	5.7
75.29496	0.3
79.05141	0.4
79.05499	4.9
81.07051	9.2
83.04977	0.7
83.08605	2.3
85.02868	0.4
86.09685	0.6
91.05469	2.9
93.07034	7.7
94.04041	0.9
95.04949	1.1
95.08605	2.1
95.40583	0.4
97.06526	3.0
97.45899	0.4
98.21365	1.5
100.11228	0.6
105.07018	1.5
107.08575	3.4
107.84878	0.4
109.10157	0.4
111.08085	1.6
117.07000	2.2
119.03536	2.1
119.08559	0.5
121.10136	1.6
123.11671	0.8
131.08562	1.9
133.10118	1.9
135.11673	2.5
136.06177	100.0
137.04602	2.2
137.06474	1.1
149.13261	5.2
150.07759	0.6
159.11684	3.2
162.07745	0.8
177.12750	2.6
182.15349	0.5
183.90070	0.4
191.14378	0.4
195.13843	2.0
209.15359	1.0
210.14946	0.6
214.63275	0.4
230.74350	0.3
263.40024	0.3
269.17474	25.0
270.17862	1.0
283.19025	0.5
286.16568	0.6
330.19205	2.5
348.20334	0.6
404.22873	3.0
418.24591	0.7
422.23941	16.8
423.24088	1.1
436.25531	25.9
437.25757	1.6
454.17584	0.6
454.20215	0.5
454.26682	3.9
454.33197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2926
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05497	3.5
57.03424	5.1
57.07073	19.8
62.05784	1.9
62.06085	23.1
67.05485	5.4
69.07058	2.6
69.77557	1.3
71.08629	13.6
77.98421	1.0
78.97679	1.0
81.07049	5.0
83.08611	4.5
85.10172	7.6
90.21874	1.3
95.08593	7.7
97.10155	2.6
98.98466	6.6
109.10144	4.3
114.55936	1.1
123.11671	2.1
124.01593	1.6
133.10129	1.5
155.01006	5.3
189.78850	1.2
195.53647	1.3
216.06282	2.2
239.23740	1.1
257.50488	1.3
282.27884	9.0
294.57202	1.1
313.27347	100.0
314.27655	3.6
393.23978	5.1
436.27985	1.7
447.62344	1.2
466.02484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00340	0.5
57.03425	1.0
57.10896	0.5
60.04502	2.5
60.05627	2.2
69.89993	1.7
69.90407	1.7
70.06567	0.7
71.04993	3.8
72.08154	9.0
75.46082	0.6
83.04926	0.7
83.55519	0.6
84.04485	0.9
84.05589	0.8
85.02898	6.6
85.03999	0.7
89.03896	2.5
89.10786	1.5
90.47834	0.6
97.07639	1.7
98.06078	0.8
98.21463	0.7
99.04449	3.6
108.47034	0.6
111.89287	0.5
114.10292	18.0
115.08671	2.7
117.02622	1.0
117.03376	11.6
126.06607	0.8
128.07076	0.7
129.05450	1.1
131.12924	4.2
131.74132	0.5
134.03676	0.6
135.04391	0.7
145.02840	57.5
146.08121	2.6
147.23297	0.7
149.05977	4.3
149.93236	0.6
155.12842	0.8
156.11346	0.9
157.10826	0.9
163.03975	0.7
164.09198	1.2
177.05466	100.0
178.05803	0.8
180.11278	0.8
186.05533	0.7
189.08589	0.6
197.13936	1.2
232.12247	0.9
247.14465	3.3
248.12888	2.5
265.15402	3.4
274.38104	0.5
290.14960	8.1
307.17615	21.2
308.18201	0.7
331.17587	1.7
332.16132	1.7
349.18643	2.6
373.18823	3.0
374.17105	3.2
379.19882	1.0
399.20319	0.8
409.78232	0.6
417.21457	1.0
436.21237	0.8
453.23450	77.8
454.23889	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	453.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01868	1.4
55.05521	6.3
57.03443	5.2
57.07074	1.5
59.04989	1.2
67.05504	19.5
69.07068	100.0
69.09893	1.3
70.64629	2.8
71.04995	36.8
71.08622	3.1
79.05497	11.1
79.65034	1.5
81.07056	36.1
83.04975	3.2
83.08595	3.4
85.06535	5.0
91.05479	13.4
93.07051	10.8
95.04981	2.2
95.08602	20.8
97.06535	4.6
99.08088	3.0
100.11288	1.4
101.09659	64.9
101.38280	1.2
102.24030	1.1
105.07045	11.5
107.08598	10.7
109.06527	3.6
109.10152	6.2
111.04436	2.4
111.08102	2.0
117.07070	1.6
119.08587	9.5
121.10128	7.9
123.08051	3.6
123.11714	2.3
125.05983	1.1
131.08598	1.8
133.10121	4.1
135.08031	3.1
135.11684	4.0
137.05998	1.9
137.13268	2.8
142.07838	1.3
145.10124	4.2
146.45552	1.0
147.11691	9.6
149.09610	1.1
149.13231	2.1
151.07510	2.3
159.11650	1.7
163.11162	2.6
165.12741	9.3
181.12204	4.6
183.13795	10.5
184.07219	1.3
185.13419	1.5
197.15378	12.3
201.14841	6.0
203.17964	2.1
221.15277	1.6
271.19107	11.5
279.19635	2.4
291.19540	2.6
316.96298	1.2
319.26334	4.5
329.24713	5.0
347.25833	21.7
348.25766	1.2
357.50201	1.2
379.28696	9.4
396.22372	1.3
421.29236	1.5
453.32166	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	453.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05000	0.5
56.54053	0.4
57.03413	0.6
60.04507	1.7
60.05632	1.5
71.04986	3.0
71.09937	0.8
72.04515	0.6
72.08158	5.9
79.38915	0.4
79.56420	0.4
83.04980	0.4
84.04482	0.8
85.02901	4.4
85.04012	1.1
86.06042	0.4
89.03905	1.9
89.10777	0.5
90.38422	0.4
91.47369	0.4
97.07629	1.3
98.06033	0.8
99.04462	3.2
114.10291	13.6
115.08688	4.7
117.03374	8.5
128.07043	0.6
129.05458	0.9
131.12907	1.8
134.03625	0.6
136.04060	0.4
138.10252	1.0
145.02841	45.0
146.03185	1.0
146.08156	2.5
149.05974	3.0
152.73396	0.4
155.12901	1.0
156.11331	1.0
157.10820	0.7
163.03929	0.5
165.08920	0.4
177.05467	100.0
178.05824	1.8
189.08675	1.2
197.13962	1.3
198.12314	0.5
205.21461	0.4
232.12068	0.9
247.14386	4.3
248.12827	5.0
265.15530	4.1
290.14996	9.4
291.13397	1.3
307.17624	19.1
331.17664	1.6
332.15982	1.6
349.18854	2.3
373.18570	3.6
374.17169	3.0
417.21286	1.3
435.22601	0.6
436.20773	0.9
453.23441	54.0
454.23608	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30651	0.8
55.01858	1.0
55.02983	2.0
55.05512	9.1
56.05011	1.6
60.05653	1.7
61.02940	0.8
62.77750	0.9
67.05474	1.7
69.03426	1.1
69.07068	1.4
70.06592	6.4
71.31649	2.1
72.08154	23.5
79.05481	1.5
81.03410	1.1
81.07040	1.6
82.02958	1.8
82.06573	2.2
83.08624	7.2
84.04505	2.0
84.08145	5.6
85.02888	1.7
85.06569	0.7
86.09696	3.2
89.03914	3.5
91.05486	7.0
93.07066	2.2
95.08588	1.5
97.02937	1.2
97.07650	14.7
98.02419	1.4
98.06081	1.4
98.09673	2.7
98.21035	0.9
100.07603	6.3
100.11259	38.4
105.07015	1.9
106.04160	0.9
106.26173	0.8
107.04970	1.0
109.02890	1.0
110.02399	57.2
111.04426	3.2
112.07613	1.5
112.08720	1.3
112.11227	1.8
114.10288	73.6
115.08677	3.0
115.10642	1.5
117.03375	13.0
119.04932	14.2
119.08574	1.0
120.08112	1.6
121.10114	1.4
126.09151	1.4
127.08633	1.1
128.07077	3.9
130.04976	1.1
131.12894	1.9
135.04369	2.1
136.06169	2.6
137.05956	1.4
139.08644	1.8
140.07074	1.2
145.02837	36.4
147.04404	50.4
149.05927	4.2
151.08664	2.4
152.05695	7.6
152.07063	34.4
153.04059	1.3
162.07729	4.5
163.03859	1.5
167.07077	1.4
169.09764	3.0
169.13406	1.2
175.07573	3.0
177.05466	50.1
178.05820	1.6
181.04922	1.2
182.15408	11.3
184.07370	1.7
186.05559	1.0
194.09259	5.1
209.16454	11.1
210.14897	9.9
211.07524	2.8
211.11911	12.9
217.13435	2.2
218.11742	2.6
220.08269	0.9
226.19156	3.9
227.17479	1.2
243.10159	4.0
247.14490	1.2
248.12868	1.2
259.15625	3.3
260.13940	2.4
277.16599	11.5
289.06042	2.0
289.16660	3.9
290.14771	1.2
291.06827	1.0
296.73117	1.1
300.12280	1.1
307.17627	9.0
321.04959	1.4
324.21365	1.0
326.28024	2.3
336.22873	2.2
361.03610	0.9
362.18423	1.0
394.16312	1.5
435.33301	16.9
453.21301	100.0
453.34360	41.6
453.41196	3.2
454.21530	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	453.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02996	1.8
55.05507	9.0
56.05034	3.1
57.03429	2.8
57.41433	1.6
58.06599	2.1
60.04533	10.6
60.05636	5.8
68.05080	1.4
69.03432	7.3
70.06591	18.7
71.04994	4.8
71.57240	2.0
72.08154	51.6
73.42424	1.5
74.06068	2.3
81.03424	2.8
83.04984	1.9
84.04506	7.7
84.05614	1.7
84.08120	8.0
85.02896	20.7
85.04025	5.7
85.08471	2.0
86.06068	2.7
86.09700	3.0
89.03930	4.5
89.10790	2.6
91.05479	6.5
96.04530	1.8
97.02891	14.2
97.04028	1.8
97.07653	11.5
98.06055	5.9
99.04456	4.4
105.03403	1.8
106.06512	2.6
107.04970	4.7
109.02929	3.5
110.07174	2.5
112.08688	1.7
114.10292	45.5
115.03924	2.3
115.08701	4.1
117.03380	11.2
119.04944	6.5
120.08120	5.9
123.04429	7.8
127.03916	5.9
128.08279	1.8
129.10222	3.2
130.06548	2.2
131.12898	7.2
132.04454	2.5
133.02856	9.9
134.03610	3.2
134.06015	13.4
135.04424	3.9
136.07594	4.2
138.10307	4.3
139.03882	8.9
139.08615	4.3
144.06558	5.3
145.02840	48.7
145.04921	2.4
146.08141	2.8
147.04401	22.7
148.04762	2.6
149.05994	3.6
150.05487	9.3
151.03940	3.1
155.12932	1.9
156.11343	2.5
157.10829	2.0
161.05981	3.1
162.05472	9.8
162.07637	7.1
163.03925	10.4
172.07452	1.8
176.10718	4.2
177.05466	100.0
178.04964	35.2
178.09863	1.7
180.08694	3.2
188.10782	5.1
189.06581	2.0
190.04967	12.3
197.14044	1.6
203.11832	4.0
204.10193	21.7
229.09706	1.7
231.11269	5.4
232.07375	2.6
232.09694	55.0
232.11577	2.2
233.10257	3.2
246.12399	6.4
247.14682	1.9
248.12840	3.7
249.12389	16.4
263.15125	8.3
265.15555	2.0
274.11746	10.1
290.14978	7.6
291.14453	17.8
292.15024	3.8
307.17670	21.1
316.12857	7.8
333.15417	3.0
361.15076	2.9
372.52570	1.6
373.18845	2.8
387.16373	2.0
425.20294	7.0
435.17264	2.5
453.19604	62.9
453.24054	34.8
454.19608	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	452.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.6
57.03429	0.3
58.06351	0.2
58.06604	0.4
60.08161	6.7
67.05494	0.9
69.07073	0.3
70.03280	1.3
70.06587	0.4
71.07369	2.9
72.08156	0.2
79.05497	0.5
81.07055	1.0
84.08132	0.3
86.09704	32.4
87.10031	0.4
91.05453	0.5
93.07050	0.8
95.04943	0.3
95.08603	0.5
97.02939	0.2
97.06558	0.2
98.20808	0.2
98.21334	0.4
98.98459	3.3
102.55756	0.2
104.10744	3.6
105.07056	0.3
107.08558	0.4
113.07938	0.2
119.08557	0.3
125.00001	23.7
143.01059	0.4
149.13304	0.2
184.07335	100.0
185.07684	0.9
241.60175	0.2
243.44258	0.2
269.17517	0.2
286.56339	0.2
327.13428	0.5
434.22845	0.8
452.23990	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.8
56.05024	1.6
56.96550	1.6
59.04857	4.2
60.05361	2.2
60.05648	27.0
62.16727	1.2
69.03412	2.3
69.42882	1.3
69.78074	6.1
69.78506	3.5
70.06591	7.0
72.07754	2.7
72.08156	49.1
73.06422	5.3
80.95020	1.3
84.04535	1.9
84.08152	3.2
85.02899	2.6
86.07188	16.1
87.07471	2.4
87.07974	30.9
88.03996	1.6
91.05472	3.9
91.19128	1.5
97.02895	3.1
97.07644	10.1
98.06053	11.0
98.21475	1.9
98.97610	2.1
100.08774	7.3
101.09534	4.3
114.10287	54.5
115.08694	9.0
116.98605	2.7
119.04932	8.1
119.06902	4.4
121.06523	3.4
126.93602	1.5
129.11388	5.0
130.06506	2.5
130.12164	2.6
131.12921	100.0
133.02765	1.6
133.06441	2.0
136.07556	1.4
139.03896	1.8
140.08170	2.1
145.80072	1.3
147.04410	91.4
148.03151	1.4
148.04646	1.5
149.06056	1.5
156.71588	1.4
157.10847	23.4
163.03912	2.6
164.36971	1.3
172.95302	1.5
177.00775	1.8
190.10632	1.6
217.08000	1.5
217.13312	7.9
218.11758	6.0
232.09743	2.1
259.15546	5.3
260.13937	7.2
277.16599	51.2
277.19540	3.1
278.17279	8.2
346.67923	1.4
393.17575	1.8
435.18726	5.8
453.19766	74.6
454.20279	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	452.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
53.78914	1.0
55.01865	1.4
55.05500	1.3
67.05518	1.1
69.03422	3.5
69.49445	9.3
71.04994	8.8
79.05496	17.3
81.03419	2.9
81.07056	100.0
82.07402	1.8
83.04960	5.9
85.02917	6.3
87.00838	2.7
91.05453	0.9
93.07056	2.9
95.04989	1.8
97.02880	2.8
99.04422	1.1
99.49115	1.0
105.01857	1.5
107.08571	1.8
109.02871	2.2
109.10152	3.6
121.10157	2.2
123.08070	1.0
123.11730	4.9
127.03899	5.3
139.11159	2.0
151.11188	3.3
169.12239	85.2
170.12617	2.1
187.13353	7.1
212.56334	1.0
434.81464	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.6
55.05500	1.7
56.05021	1.8
57.03431	0.8
58.06592	1.1
60.08159	19.0
61.14279	0.4
67.05505	3.7
69.07057	1.7
70.06590	1.5
71.04994	0.6
71.07372	5.6
71.46912	0.4
71.58130	0.6
72.08157	0.7
74.82867	0.4
79.05475	2.5
81.07058	3.9
83.04952	0.7
83.08613	1.0
84.08134	1.3
86.09702	51.6
91.05468	2.6
93.07040	3.6
95.04966	1.5
95.08604	1.6
97.02913	0.4
97.06532	0.6
98.21043	0.5
98.98458	4.7
99.08096	0.5
104.10740	100.0
105.07020	1.0
105.11057	0.8
107.08588	2.2
109.06483	0.5
109.10134	0.8
117.06998	0.6
118.06496	0.5
118.13841	0.4
119.08588	0.6
120.08103	0.8
121.06498	0.5
121.10146	1.2
124.99997	27.7
131.08580	0.5
133.10138	0.9
135.11711	0.8
136.06163	0.9
145.02835	0.5
146.05937	0.5
147.11765	0.5
149.13210	1.2
151.11136	0.5
157.10162	0.6
159.11729	0.9
160.09682	0.5
163.01569	0.7
184.07335	93.4
185.07677	0.7
249.44958	0.7
258.11020	0.8
269.17422	0.8
332.22064	0.6
434.22897	5.3
452.24011	19.7
452.40378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67377	0.3
55.05517	0.4
57.03434	0.4
60.05657	0.8
65.03937	1.1
66.12382	0.4
69.03431	0.6
70.06599	2.3
71.26380	0.6
72.08155	25.8
73.02911	0.5
81.03391	0.7
81.07042	0.6
84.04494	0.8
84.08131	0.9
85.02910	1.0
86.09687	1.0
89.10779	0.4
91.05483	12.2
95.01323	0.5
95.04984	0.6
97.02863	0.6
97.06528	0.8
97.07654	1.6
98.06064	0.9
114.10287	3.6
115.08656	0.4
119.04944	29.7
120.05299	0.8
123.04439	1.1
127.03925	0.6
129.10236	0.5
131.12927	1.2
136.05058	0.7
136.07516	0.4
137.02354	1.0
137.06004	0.9
139.03917	0.5
140.07161	0.6
140.08168	2.5
142.94795	0.3
144.03966	0.5
147.04408	100.0
148.04732	1.5
152.08159	2.6
154.06120	0.9
154.09724	0.4
155.04472	0.4
156.03983	0.8
168.07655	0.8
169.10855	0.9
180.07625	0.6
182.09300	1.1
196.07153	0.6
197.10339	1.0
198.08728	10.2
206.72672	0.3
208.10898	0.4
210.08766	1.1
214.19659	0.3
215.11359	3.5
216.06113	0.8
217.13414	0.6
218.11774	1.4
226.11829	0.6
227.11624	0.5
241.09383	0.6
247.72755	0.3
252.09766	0.5
260.13986	1.2
269.12564	2.0
270.10812	4.8
273.12759	0.3
277.16602	8.5
287.05594	3.0
287.13498	19.7
288.05807	3.5
289.06033	6.8
313.11423	0.5
315.14392	2.6
342.69238	0.3
343.14044	3.0
361.15042	8.8
362.15625	0.5
372.15369	0.6
373.15140	1.2
397.15106	0.5
415.16074	2.0
433.17215	23.5
434.17578	0.9
451.18140	4.1
452.13416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
65.03936	1.2
68.95611	0.4
69.03424	1.3
70.02940	0.5
70.06596	2.2
71.58141	0.4
71.58515	0.4
72.08154	15.8
73.02859	0.4
74.06088	0.5
76.39115	0.3
81.03392	0.6
83.04967	0.3
84.04521	0.7
84.08154	1.0
84.19537	0.3
85.02895	2.1
86.09696	0.9
88.03983	0.5
91.05483	9.7
92.17884	0.4
93.07043	0.6
95.04948	0.7
97.02874	1.0
97.07642	1.7
98.06066	0.6
105.07046	0.5
111.04451	0.4
112.11238	0.5
114.10285	1.9
114.44087	0.4
115.08696	0.6
118.12531	0.4
118.69556	0.3
119.04938	26.3
119.08558	0.5
120.05271	0.4
120.08070	0.5
121.06518	0.3
123.04427	1.2
127.03905	1.1
130.06512	0.5
130.12309	1.8
130.13136	0.4
131.12886	0.7
137.02319	0.8
137.03360	0.4
137.05927	0.4
139.03911	0.8
140.08167	1.8
144.04053	0.5
145.02829	0.8
147.04405	100.0
148.04698	1.3
152.08177	2.1
163.03909	0.8
168.07613	0.6
169.10857	0.5
177.05470	0.9
180.07635	0.4
182.09230	1.1
197.10350	0.7
198.08720	7.1
198.10413	0.7
208.10912	0.7
210.08711	1.8
211.08606	1.7
215.11430	2.6
217.13493	0.6
218.11774	1.6
226.11972	0.5
227.11394	2.4
241.09450	0.7
260.13885	0.8
269.12463	1.5
270.10895	3.7
271.06039	0.5
271.10739	0.8
277.16614	5.6
287.05527	5.3
287.10489	0.6
287.13507	12.3
288.05850	5.2
289.06021	9.8
289.11804	1.7
289.21283	1.0
315.14511	2.2
361.15060	9.8
371.17068	0.6
372.15509	0.8
373.15103	3.1
415.16068	2.5
428.13007	0.4
433.17154	19.9
451.17679	3.7
472.52002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1643
Annotation	Suvorexant
Peak:m/z	Relative Intensity
53.03949	6.6
55.05509	16.9
55.28780	0.9
55.70635	0.8
57.03428	1.4
57.07079	22.4
64.97959	1.4
65.03943	1.5
66.80428	0.9
67.05502	8.3
67.22596	0.9
69.07070	3.7
69.60809	5.2
69.61229	1.8
70.06592	1.2
71.04992	16.2
71.99841	0.8
75.00013	3.0
76.54336	0.8
77.03961	1.9
79.05482	3.9
81.03425	1.1
81.07044	7.0
82.98994	10.0
83.04979	60.3
83.08617	0.8
85.02921	1.2
91.05483	7.2
93.07034	3.4
95.04952	5.6
95.08615	3.2
97.02955	1.0
97.06502	1.2
98.98466	2.2
101.06011	5.5
105.04535	0.8
105.07003	4.2
107.08603	3.1
109.10160	2.2
115.05614	0.8
115.96530	0.8
117.01023	34.1
117.07018	1.7
119.02612	0.9
119.08560	2.2
121.10143	1.9
123.11710	1.6
128.06265	1.6
129.06944	4.2
131.08536	1.8
133.10133	1.6
135.02065	9.8
135.11697	1.3
143.08574	1.5
145.10097	1.4
147.02049	15.2
147.08049	2.1
147.11676	8.0
161.13274	1.3
165.03122	33.3
165.37970	0.8
175.01550	100.0
176.01846	1.0
181.02611	11.6
184.96936	0.9
193.02667	2.7
199.07272	1.0
216.04208	2.0
227.04652	7.7
227.12836	1.0
231.07762	9.3
239.04787	1.1
239.26230	0.9
247.49899	1.0
271.17316	0.8
275.06750	14.5
283.10892	1.0
313.11905	4.4
321.02945	5.8
331.13034	66.7
332.13214	1.6
339.03836	4.6
347.08185	1.0
369.18356	3.1
377.09174	21.9
387.19299	34.6
395.10181	53.7
433.15427	28.1
434.15598	1.0
451.16501	43.6
451.22253	1.9
451.38358	1.4
452.16916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
57.03430	4.1
67.05508	1.3
68.99802	1.1
69.03418	1.6
70.06591	4.8
70.84207	2.4
70.84546	1.3
72.08150	1.1
73.02879	1.1
78.51865	1.0
81.03419	1.1
81.07066	1.2
84.08147	1.3
85.02895	2.2
86.09706	8.2
91.05509	1.3
93.07068	1.2
96.78318	1.1
97.02906	1.6
100.07644	1.1
103.05496	1.2
107.04984	1.1
109.02901	1.4
115.03988	1.0
115.05477	1.0
120.08109	36.1
123.00800	2.4
127.03917	1.5
137.02347	29.4
137.03391	2.8
137.06088	1.1
143.11798	4.6
147.04405	1.7
153.01817	4.9
161.05978	2.0
169.01250	2.2
171.04445	2.7
175.34106	1.0
199.03912	3.0
204.47244	1.1
217.05006	2.1
227.03362	1.7
233.95280	1.2
245.04420	4.4
255.02968	1.9
259.53543	1.2
273.01437	0.8
273.03931	22.4
281.11349	5.0
283.02414	2.1
301.03406	22.4
302.04172	1.3
319.04465	100.0
320.04782	3.4
330.20615	1.1
399.93167	1.0
418.63928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0869
Annotation	Myricetin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
55.01858	1.2
57.03436	5.0
60.08153	1.9
61.02919	2.6
63.58802	0.9
64.00624	0.9
69.03407	1.3
69.07086	4.6
69.60832	2.9
69.61258	4.1
70.06587	33.9
71.06916	2.5
72.08151	2.8
73.02909	8.6
81.03411	2.3
81.07063	2.4
84.08124	4.2
85.02893	4.4
86.09701	38.9
87.10030	3.1
91.05497	1.3
91.19393	0.9
91.19941	1.1
95.01334	1.3
95.04964	0.9
95.08616	1.1
97.02879	2.1
98.09629	1.3
104.10738	8.6
105.06950	1.0
105.11101	1.9
107.04942	1.1
120.08077	8.0
121.02901	1.6
125.00004	3.5
126.48266	0.9
127.03891	2.5
127.08655	3.9
129.10214	1.2
137.02338	16.8
137.05942	2.1
147.04410	1.6
153.01859	6.2
155.08151	3.8
163.03851	1.6
165.06900	1.1
165.18832	0.9
169.01353	3.7
177.05586	1.0
184.07333	8.0
185.07652	2.0
189.05376	1.2
199.03851	2.2
217.04922	1.3
219.13387	2.6
223.07521	3.3
227.03452	1.9
229.15489	11.5
230.15677	1.2
238.08612	3.7
245.04524	3.8
255.03162	1.4
273.03946	14.2
286.17618	1.8
287.05493	9.8
288.05807	10.0
289.06061	19.4
301.03415	16.1
302.03824	1.1
303.04926	1.4
306.14896	3.6
311.61624	1.0
319.04459	100.0
320.04721	4.0
351.17169	1.7
451.22955	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72488	1.0
70.04431	4.4
92.47714	1.0
101.04294	1.1
121.58389	1.0
314.39041	1.2
322.10461	2.7
391.03140	2.0
451.04831	100.0
452.05270	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	451.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	4.6
62.39895	0.8
69.59180	5.6
79.33726	0.9
82.47495	0.9
84.08142	4.3
85.08450	0.9
98.97598	5.7
99.62687	0.7
116.98615	3.6
119.01895	2.2
128.98566	1.3
130.08614	2.8
131.01897	1.2
133.03467	2.4
134.03589	1.4
134.99690	1.4
135.12753	0.8
143.01797	0.8
145.67361	0.9
146.99651	1.7
147.05026	1.7
148.05132	1.6
159.05046	1.6
161.01228	1.0
161.02863	0.9
161.06496	0.9
165.06049	0.9
171.05119	1.0
172.05290	1.2
173.02913	1.1
177.05861	0.8
183.05042	1.0
186.06677	0.8
189.04349	1.2
189.06010	1.0
190.98753	1.0
192.00049	1.8
194.01570	1.4
195.07103	1.6
197.92470	0.8
202.06238	1.0
203.07663	1.0
215.07619	0.9
219.01788	1.0
219.07159	2.9
220.07330	2.9
221.05078	2.1
231.07188	3.3
232.07327	6.0
232.99512	1.0
234.08862	1.5
237.02838	2.8
246.05286	1.9
246.68332	0.8
256.07407	1.6
273.08185	0.9
274.08301	2.0
295.06985	2.4
305.10815	2.5
307.14127	0.9
321.10419	9.4
322.04779	1.2
322.10645	22.0
336.60104	0.9
340.11453	3.6
340.17184	1.9
359.10123	0.9
391.02979	1.4
451.04822	100.0
452.05115	3.0
458.98544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52322	0.7
55.01878	1.0
55.05499	2.2
57.03418	0.9
57.07054	1.3
58.99576	3.5
63.45837	0.8
67.05499	4.0
69.03432	1.5
69.07070	2.3
70.25138	3.2
74.00665	34.2
76.02225	4.2
79.05495	5.7
81.03417	0.9
81.07053	10.0
83.04966	1.0
84.08145	0.8
85.02901	1.3
86.00661	1.4
86.09710	1.7
86.99039	1.3
88.02205	0.9
88.03988	3.4
91.05480	16.9
93.07040	8.6
95.04975	1.8
95.08603	11.7
97.06540	1.3
100.07622	1.1
103.05456	3.7
105.00092	1.6
105.07029	22.8
107.08601	6.6
109.06517	5.1
109.10147	2.7
115.05447	2.2
117.07010	3.1
118.90877	0.8
119.04939	35.0
119.08568	14.2
120.01208	0.8
121.06531	2.0
121.10141	100.0
122.02732	16.1
122.10484	0.8
123.08054	3.9
123.11690	3.3
128.06200	1.8
129.03340	4.2
129.06978	2.7
131.04932	3.4
131.08554	4.7
132.01163	2.5
133.07648	1.1
133.10103	1.9
135.02646	6.4
135.11685	1.3
137.06030	1.3
137.09592	1.7
137.13228	4.2
137.39914	0.8
139.16891	0.7
141.06985	1.1
142.07784	1.3
143.08548	2.8
145.05318	0.9
145.06493	2.6
145.10147	4.0
146.05978	2.6
146.09657	0.9
147.02635	1.6
147.04405	28.3
147.07982	1.7
147.11687	16.1
149.05968	3.0
149.09557	2.0
151.02090	1.6
154.07777	1.0
155.08551	2.7
156.09369	1.3
157.10144	2.4
158.06010	2.5
159.04305	1.2
159.08040	7.3
159.11674	1.0
161.00578	9.8
161.04289	1.3
161.05896	0.9
161.09642	1.0
163.02126	5.6
163.11237	2.1
164.12016	2.2
165.05554	0.9
165.06955	0.9
165.12738	11.0
166.07837	1.2
167.08521	2.2
169.10143	2.5
171.08110	1.2
171.11714	1.9
172.03477	0.9
172.07556	0.9
173.04515	0.8
173.05986	3.3
173.13297	0.9
173.87756	0.7
175.02071	0.8
175.07495	1.0
177.03659	2.0
179.01628	1.3
180.09258	0.8
181.10123	3.1
183.11703	2.0
184.07430	1.6
184.12083	0.8
187.02022	3.8
187.07512	2.8
192.09319	1.4
193.10135	1.9
195.11694	2.5
197.09758	1.2
197.13245	1.4
199.07529	1.8
201.09068	1.5
204.04807	8.8
205.03194	3.1
207.11632	1.2
208.12534	0.9
209.09642	1.0
209.13245	1.0
211.07593	2.5
211.11150	1.2
213.09125	1.2
215.10594	1.1
217.10201	1.3
221.13203	1.7
222.05829	20.3
223.04202	1.6
223.11160	1.2
223.14839	2.1
225.09085	2.2
225.12732	0.9
227.10747	1.5
230.06429	1.0
233.02676	2.6
237.16457	1.3
239.14293	1.6
241.15837	1.0
251.03737	19.5
251.10744	1.3
265.15839	2.2
267.13785	4.1
268.06369	45.4
269.06851	1.7
269.15466	1.9
270.07880	1.2
272.19925	1.0
283.16898	8.4
287.05515	2.0
288.05765	5.9
293.15390	7.9
307.11441	1.1
311.16388	16.7
324.13919	1.2
329.17471	8.0
350.15710	1.4
361.14539	1.1
368.16803	5.6
370.14545	1.6
386.17828	8.8
387.16171	1.1
396.16010	1.6
404.18942	5.2
414.17404	5.7
415.15710	2.2
432.18393	37.5
433.16922	5.5
450.19400	50.0
450.28983	2.2
451.19684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35659	0.6
53.03936	1.0
53.26001	0.6
55.01863	2.0
55.05510	4.5
57.03436	1.9
57.07079	0.9
58.99595	5.1
65.03935	1.4
67.05502	8.6
69.03423	1.4
69.07064	3.4
70.06574	1.9
70.90961	0.6
71.04990	1.6
72.08130	0.6
74.00665	19.9
76.02217	7.0
79.05490	13.0
81.03445	1.0
81.07059	19.8
83.04974	1.5
83.08620	2.0
84.08115	0.7
85.01124	1.3
85.02890	2.0
86.00642	2.4
86.09703	2.3
86.99052	2.1
87.04462	5.3
88.02207	1.7
88.03974	3.5
91.05477	26.9
93.07043	14.2
95.04951	5.9
95.08607	23.9
97.02884	1.3
97.06503	1.1
100.02206	4.0
100.07627	0.9
101.00635	0.9
102.03777	2.1
103.05480	7.6
104.10745	0.8
105.00096	1.7
105.03391	1.0
105.07027	29.8
106.06592	1.2
107.04948	2.7
107.07414	0.9
107.08596	21.1
109.04365	0.6
109.06508	5.7
109.10156	12.5
110.07204	0.9
111.08055	0.9
115.01524	0.7
115.05462	4.2
117.07019	8.9
118.06557	3.4
119.04948	18.9
119.08581	24.0
120.08115	1.2
120.09355	0.8
121.06500	3.4
121.10144	100.0
122.02729	23.9
122.10449	1.6
123.04430	1.3
123.08077	5.5
123.11709	23.7
124.99964	1.0
125.04219	0.6
128.06221	4.7
129.07014	6.0
130.06520	1.7
130.07756	0.8
131.01602	0.9
131.04973	5.2
131.07372	1.5
131.08563	9.6
132.01134	3.0
132.08118	1.5
133.06485	3.3
133.07501	1.2
133.10136	9.5
135.02643	3.2
135.04448	1.5
135.08060	3.1
135.11673	5.2
136.06157	2.4
137.02350	1.0
137.05971	2.9
137.09619	1.3
137.13240	3.4
140.23064	0.7
141.06961	4.3
142.07808	1.1
143.08543	5.4
144.05756	1.2
144.08105	1.0
145.02884	1.4
145.05463	1.1
145.06471	6.0
145.10135	7.3
146.02684	6.4
146.06038	1.1
146.09663	2.4
146.10863	1.3
147.04411	18.1
147.08089	3.2
147.11685	25.0
148.04253	12.5
149.05980	2.5
149.09596	2.7
149.13258	1.2
151.02148	0.9
151.11221	1.5
153.07021	1.9
154.07854	1.2
155.04970	0.8
155.08546	6.5
156.09372	1.6
157.06479	2.3
157.10139	3.6
158.06023	1.9
158.07239	0.8
158.10849	1.5
159.04445	5.3
159.08052	13.9
159.11716	2.5
160.11214	1.6
161.00604	2.5
161.04277	1.2
161.05989	3.3
161.09717	1.4
162.09132	0.9
163.02179	2.1
163.03928	3.8
163.07526	1.7
163.11163	1.7
164.11975	1.4
165.05481	7.0
165.07021	2.6
165.09114	0.8
165.12766	8.3
166.07707	1.7
167.08626	4.6
168.09322	1.3
169.06483	2.1
169.10100	3.7
171.06789	0.7
171.08043	4.4
171.11705	5.4
172.03510	0.8
172.07544	1.6
173.05995	11.8
173.09566	1.6
173.13350	0.9
175.03909	2.0
175.07564	2.9
175.14931	0.9
177.03850	0.8
177.05478	1.9
177.09143	0.8
179.01689	0.9
179.08566	2.4
180.09372	1.3
181.06470	0.9
181.10089	4.9
183.08055	2.5
183.11694	2.4
184.07333	3.7
185.05949	1.6
185.09653	3.1
185.13297	1.2
187.02104	2.1
187.05899	1.6
187.07494	7.8
187.11163	0.8
189.05484	1.9
189.09096	1.1
191.01559	0.9
191.07030	2.8
191.08611	1.6
192.09322	1.7
193.04991	1.7
193.10126	3.6
195.08031	1.3
195.11736	2.3
197.05965	0.8
197.09634	2.2
197.13297	2.5
198.09013	1.0
199.05869	1.3
199.07492	5.2
199.11197	2.2
201.03769	1.4
201.09167	2.7
203.07039	1.0
204.04779	3.8
205.03207	2.6
205.10216	1.7
206.10942	2.5
207.11681	3.2
208.12477	1.4
209.06032	0.9
209.09666	2.3
209.13182	1.4
211.07578	5.5
211.11211	1.4
211.14856	1.5
213.07292	1.0
213.09131	2.9
217.10324	1.0
219.11769	0.8
221.13298	3.3
222.05849	6.6
222.13997	1.1
223.07568	2.4
223.11140	2.2
223.14745	3.4
225.09152	7.0
225.12682	1.6
227.10672	2.5
229.08617	1.5
229.12093	0.8
230.06346	1.0
232.12520	0.8
233.02774	0.8
237.09157	3.6
237.16402	2.1
239.10703	2.3
239.14348	5.2
241.08563	2.1
241.15894	1.9
243.10255	1.2
244.20578	3.0
247.14983	1.0
248.27534	0.7
249.12874	1.1
249.16417	1.4
251.03722	7.1
251.10606	4.0
251.14455	1.0
255.10022	1.1
255.13924	1.3
255.17387	1.4
256.07767	1.0
265.12308	0.9
265.15924	2.5
266.05029	0.8
267.13843	10.1
268.06381	9.2
269.12128	0.7
269.15359	3.2
272.20084	22.0
276.06931	1.7
281.15451	4.4
283.16882	11.9
285.14905	5.0
287.05600	3.4
288.05817	5.9
290.21140	3.1
293.15430	12.5
299.16476	5.6
303.05130	1.2
304.05426	1.4
310.92377	0.8
311.16412	21.7
313.18277	0.9
324.14267	3.4
325.12619	2.5
329.17474	50.0
330.17944	2.2
340.17358	1.0
343.13605	0.9
346.23853	1.4
350.15588	1.0
358.23911	0.9
364.24808	2.1
368.16757	7.1
369.14764	1.0
370.14716	1.9
371.12943	1.3
376.24835	1.9
386.17850	5.2
396.15961	0.8
403.13013	0.8
404.18951	4.8
414.17334	8.1
415.16513	0.8
428.16373	0.8
432.18433	19.6
433.16940	4.9
450.19449	18.5
450.28488	37.6
451.10007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.16719	1.4
55.01871	9.2
55.05505	2.4
56.05022	2.4
56.23043	1.3
57.03416	1.6
58.99575	3.0
61.70326	1.1
67.05486	4.4
69.00849	1.2
69.03416	3.5
69.07027	1.5
70.06588	9.6
71.04996	1.9
71.58453	1.8
72.08156	7.0
73.02921	2.2
73.69273	1.2
75.86246	1.2
79.05493	24.0
81.03409	2.4
81.07039	3.4
84.04511	7.0
84.08131	6.1
85.02886	5.0
86.09692	5.6
86.10170	1.5
88.02211	66.7
88.03965	2.3
91.05478	11.6
93.07039	16.3
95.04962	3.0
95.08573	1.7
97.02868	2.6
102.05543	1.4
103.05495	1.7
105.07014	4.5
107.04967	3.5
107.08588	30.1
108.08076	1.4
109.06506	2.7
109.10173	1.4
110.07150	2.6
115.05465	1.7
117.07011	6.0
119.04957	4.0
119.08550	5.9
120.08095	2.3
121.10135	3.7
121.54770	1.2
123.16283	1.5
124.07561	3.5
125.04207	1.9
129.10320	1.6
130.05008	1.9
134.02708	33.7
135.08051	23.8
137.02304	2.8
137.05965	1.8
139.03841	1.4
145.02821	2.8
147.04414	17.4
147.08051	8.8
149.05972	2.1
152.07117	1.7
165.09006	1.7
167.07051	1.6
177.05417	5.4
184.07309	2.3
193.12096	1.6
204.47041	1.3
222.09433	1.4
240.10466	3.2
242.12196	1.6
277.16602	4.0
286.11078	100.0
287.05511	20.2
288.05823	41.3
288.08383	1.3
289.06006	3.1
299.09225	1.7
304.12119	13.2
323.09268	1.5
341.10443	1.4
433.17133	1.8
463.99326	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70983	2.0
55.05516	12.0
55.65668	2.2
57.02981	2.3
57.03434	49.3
57.07076	41.4
66.09919	2.1
67.05507	23.2
69.07052	9.4
69.37060	11.0
69.37482	10.6
71.08630	29.2
75.98559	2.0
79.05486	7.5
80.11952	2.2
81.07060	26.9
83.08607	11.0
85.10169	15.7
93.07024	6.8
95.08611	26.6
97.06586	2.5
97.10132	3.8
98.98463	86.3
105.07000	3.2
109.10149	11.2
111.11749	2.4
113.00011	5.1
116.99490	6.5
119.08560	2.7
121.41725	2.0
125.00009	4.1
135.11691	3.7
136.99992	71.4
137.13208	2.7
155.01038	100.0
166.82292	2.0
169.02554	2.5
181.75003	2.4
184.07318	7.9
193.02606	16.3
211.03622	19.4
239.23860	3.2
264.09506	2.3
287.05569	9.7
313.27353	62.5
317.87064	2.3
337.27573	4.3
449.26538	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	21.3
55.23705	3.7
57.03440	33.0
57.07079	18.6
60.57853	4.0
61.11477	4.0
67.05508	58.9
69.07079	23.2
69.34332	4.7
69.34738	37.2
71.04970	4.2
71.08616	10.4
79.05490	16.7
81.07061	52.2
82.42274	4.2
83.08613	17.0
85.10194	5.0
86.09711	13.5
91.05479	11.3
93.07036	17.9
95.08603	51.1
97.10165	10.7
98.21448	9.2
98.98473	41.6
105.07020	11.7
107.08598	10.7
109.10152	15.3
111.11647	4.2
113.00014	100.0
113.00755	8.0
119.08582	8.9
121.10140	10.1
123.11692	7.6
125.00022	7.6
125.07681	3.9
135.11652	5.2
136.99973	29.5
155.01059	38.9
161.13271	5.5
169.02620	20.4
172.20279	4.0
184.07335	34.8
187.03671	8.5
211.03654	4.8
263.23798	6.6
272.20157	8.2
287.05377	28.0
313.27252	24.3
337.27383	86.7
338.27640	5.0
409.06244	4.6
449.26331	22.5
450.44705	4.5
455.27777	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	449.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75087	0.4
55.01862	0.7
56.05039	0.8
56.92817	0.5
57.03410	0.6
60.04512	1.0
61.02932	1.1
64.07759	0.6
69.03430	1.2
69.07065	5.1
70.02952	1.1
70.06583	1.9
71.57615	0.8
72.08138	0.6
74.59903	0.5
75.93549	0.5
79.05474	0.9
81.03416	1.4
81.04517	0.8
81.07087	0.6
83.06094	0.8
84.04506	39.6
84.08169	1.3
85.02900	2.3
85.04032	1.6
85.04831	0.8
86.09698	6.3
87.05578	4.4
88.03970	0.6
91.05481	1.4
93.07022	1.1
95.01348	0.6
95.06120	0.6
96.04502	2.4
96.08135	1.0
97.02885	1.7
98.02406	1.8
98.06061	1.0
102.28502	0.5
107.08604	0.9
109.06450	0.6
110.02402	5.7
110.05997	0.6
111.05557	0.6
113.10751	3.9
115.05462	0.6
119.08585	0.8
120.08875	0.7
124.03962	1.8
125.07112	1.3
126.05517	39.7
127.03922	0.8
127.05016	0.9
132.10181	2.8
135.05478	0.6
136.07529	0.5
137.02368	2.5
138.05489	6.3
141.10231	10.9
144.06557	1.2
147.04367	0.5
149.02350	1.1
153.06593	0.6
155.11810	0.9
157.06409	0.8
166.08630	9.3
167.07031	1.4
168.06563	1.7
169.09727	0.6
177.05386	0.8
183.11327	1.8
185.05954	1.2
186.07661	1.2
187.10788	6.1
200.13982	4.0
201.12262	0.9
204.08646	8.7
211.10683	0.8
212.09166	7.9
213.05460	2.4
228.13414	2.5
229.11829	11.4
231.06483	1.2
241.04953	0.7
246.14476	15.4
287.05496	100.0
288.05844	7.5
349.13547	0.6
424.75482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1443
Annotation	Homobutein 4'-O-glucoside
Peak:m/z	Relative Intensity
55.05503	0.9
57.03450	0.5
61.02921	0.5
61.05070	0.4
65.03945	1.2
67.05505	0.6
69.03439	1.7
70.06593	0.7
70.78283	0.9
70.78646	0.8
71.05011	1.5
73.02914	1.1
79.05513	0.7
81.03417	0.8
81.07063	1.0
83.05004	0.6
84.08137	0.5
85.02904	3.9
85.70184	0.4
86.09702	0.9
91.05484	4.2
93.07064	0.8
93.45643	0.5
95.04956	0.8
95.08614	0.8
97.02895	0.9
105.07040	1.1
107.01331	0.9
107.04951	0.5
107.08611	0.8
109.02916	0.5
109.10148	0.6
117.19655	0.5
119.04946	11.6
119.08626	0.8
120.05742	0.6
121.02874	1.1
121.10158	0.9
123.04436	1.1
124.01582	1.5
125.09566	0.6
127.03912	0.8
129.05513	0.6
131.04973	0.5
135.04440	0.5
136.06235	0.7
137.02347	2.8
137.06001	0.6
139.03905	1.5
147.04408	36.2
152.01044	18.9
153.01859	2.5
165.01888	0.8
167.03401	68.4
168.03679	1.0
170.02112	13.5
175.04008	0.7
177.05420	1.2
178.02489	0.5
181.04977	2.5
181.06439	0.8
183.02872	0.5
185.05925	0.6
193.04996	0.8
197.05998	0.5
201.05408	0.7
209.06009	1.4
213.05487	0.7
224.90106	0.5
227.06949	0.6
228.04247	0.8
229.04893	1.2
241.08643	1.3
245.04712	0.5
251.07045	1.3
255.06412	2.0
257.04453	1.7
269.08029	2.1
269.12839	0.7
272.06702	1.4
274.04669	1.2
285.03802	0.8
287.05505	18.5
287.09079	100.0
288.06189	0.5
288.09476	2.7
301.03470	3.2
302.04214	13.2
303.04987	12.2
317.06549	25.0
318.06744	1.2
345.05200	1.0
359.76999	0.5
401.27060	0.5
413.08774	0.5
449.14587	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1441
Annotation	Homobutein 4-glucoside
Peak:m/z	Relative Intensity
51.15463	0.6
55.01870	1.7
55.05500	0.9
60.18734	0.7
68.99789	2.6
69.59263	5.1
70.06587	3.7
77.24768	0.7
79.05508	1.4
81.03419	2.6
81.07069	1.2
84.04510	1.7
84.08138	2.2
85.02900	3.5
86.09720	1.1
91.05482	2.7
93.07030	0.8
95.04962	1.0
97.02890	1.8
104.74183	0.8
107.04904	1.2
107.08630	0.8
109.02851	1.4
110.07232	0.7
111.00832	0.8
111.01926	1.5
117.03389	2.4
118.38992	0.7
119.04980	1.4
119.08578	0.8
121.02888	2.0
123.04411	6.3
127.03915	1.3
128.50143	0.7
129.02934	5.6
129.07043	0.8
130.04993	2.7
131.04922	1.0
133.10106	0.9
134.03661	0.9
135.04457	0.8
137.02353	2.1
137.05956	1.2
139.03868	0.8
141.06989	1.9
146.03627	1.4
147.04407	100.0
147.07645	2.3
148.04745	1.0
152.06204	2.0
153.01833	4.5
153.05521	1.5
153.07002	5.4
157.06448	1.9
162.03125	8.5
163.03935	1.8
165.06973	1.0
169.06503	2.4
171.07944	1.2
177.05473	15.2
177.07018	0.5
180.05655	0.8
181.06464	15.9
185.05980	2.2
187.07550	3.9
193.12245	1.2
195.32104	0.7
197.05974	1.4
198.06821	1.3
199.07600	4.0
209.05971	11.2
210.06854	1.4
213.05484	3.9
226.06230	6.5
227.07025	15.5
231.06508	1.1
237.05452	10.4
241.08565	4.0
254.05789	3.9
255.06479	24.1
256.07245	1.4
259.09558	1.3
269.08057	5.8
271.05927	3.9
272.06796	15.7
272.56714	0.8
287.05511	80.7
287.09131	89.1
288.05856	1.7
288.09479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1231
Annotation	Artonin P
Peak:m/z	Relative Intensity
50.10592	0.7
55.01868	0.8
55.05503	1.8
64.93506	0.6
67.05488	2.8
68.99791	1.5
69.03417	1.2
69.07040	1.4
69.59357	5.5
71.04996	1.0
77.69852	0.7
79.05499	3.1
81.03409	1.7
81.07054	4.2
83.08614	0.9
84.08116	1.0
85.02892	2.1
91.05466	5.5
93.07042	3.4
95.04980	2.1
95.08601	2.1
97.02911	0.9
100.07629	0.8
105.07035	3.7
107.04951	0.9
107.08607	1.3
109.06568	0.8
109.10131	1.1
110.03630	0.7
111.04475	0.9
115.05442	0.8
117.06986	1.2
119.04950	1.7
119.08575	1.9
121.06506	0.7
121.10167	2.6
123.04396	1.3
129.07024	0.9
130.04146	1.4
131.08597	1.3
133.10117	0.8
136.05222	1.8
136.06238	0.8
137.02354	7.7
137.05913	1.7
145.10124	1.5
146.03641	5.7
147.04395	4.7
147.11650	1.1
148.05177	2.0
149.02339	1.3
157.06470	1.6
157.10056	0.7
159.11702	0.7
161.02328	1.1
161.05952	5.4
163.03922	1.1
177.01927	0.7
177.05452	1.1
185.05991	1.2
187.03873	5.1
198.35846	0.7
213.05496	10.1
226.06245	15.8
237.05438	4.6
239.07019	1.0
241.04945	59.5
242.05721	25.2
253.05093	2.5
254.05727	2.3
255.06517	2.5
269.04431	12.7
270.05206	38.9
271.05969	21.4
271.08780	1.3
281.04373	6.7
283.05978	2.8
284.06931	1.0
287.05496	85.8
287.08414	2.9
288.05792	2.2
303.04953	2.5
311.05591	2.3
343.09537	1.0
357.07483	1.2
357.24255	2.1
359.08896	0.9
371.08951	1.1
373.06931	1.0
387.08731	2.2
416.08890	2.9
417.08279	0.7
419.11392	6.0
431.11279	23.2
431.28146	1.7
432.11484	1.3
449.12296	100.0
450.12811	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	449.1078
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
50.55870	0.1
55.01877	0.1
57.03437	0.2
61.02916	0.2
67.01860	0.8
67.05511	0.1
68.99491	0.1
68.99789	0.7
69.03427	0.3
70.06590	0.2
70.38573	0.3
71.05001	0.8
72.08156	0.2
79.05489	0.2
81.03422	0.1
84.08172	0.1
85.02908	1.1
86.09704	0.2
89.03931	0.3
93.07071	0.1
97.02880	0.2
107.04940	0.5
109.02892	0.2
111.04491	0.1
117.03372	0.3
119.93244	0.1
121.02890	0.3
127.03908	0.2
129.01869	0.2
129.05527	0.1
135.04419	1.9
137.02345	1.1
140.94029	0.1
153.01833	6.2
161.02319	0.6
165.01839	0.3
171.02953	0.7
179.03387	0.4
183.02873	0.2
183.04370	0.1
184.07318	0.3
185.05942	0.1
201.05470	0.2
203.03413	0.2
213.05507	0.3
217.04951	0.2
219.06522	0.1
229.04947	0.6
231.06390	0.2
241.04993	0.7
245.04315	0.3
257.04352	0.4
258.05115	0.1
259.06134	0.2
269.04443	0.6
273.03967	0.2
274.04834	0.1
285.03970	0.1
287.05490	100.0
288.05832	3.7
299.05405	0.2
302.03943	0.2
303.04996	7.8
304.05286	0.3
315.05011	0.4
345.05981	0.4
355.04800	0.1
369.05930	0.2
395.07471	0.2
413.08716	0.5
431.05273	0.1
449.06274	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	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03945	0.1
55.19686	0.1
68.99799	0.9
69.03421	0.3
69.65016	0.5
69.65427	0.4
70.06587	0.3
72.08143	0.3
79.05459	0.2
81.03407	0.3
90.21998	0.1
105.03369	0.3
107.04939	0.5
109.02883	0.4
111.00795	0.7
121.02865	3.3
127.03905	0.2
129.06990	0.2
130.04893	0.1
131.95203	0.1
133.02843	0.5
137.02345	1.3
141.06982	0.2
144.61700	0.1
145.06462	0.2
147.04372	0.5
153.01820	5.1
157.06468	0.7
161.05930	0.2
165.01816	2.1
171.04391	0.3
183.02887	1.0
184.19232	0.1
185.05994	0.7
189.05489	0.4
197.05901	0.1
199.03830	0.1
213.05461	1.8
229.05130	0.2
231.06471	0.7
241.04916	1.2
258.05261	1.4
259.05997	0.6
262.16150	0.1
269.04510	0.2
273.13080	0.3
287.05475	100.0
288.05801	3.9
349.60901	0.2
410.05591	0.1
449.10785	0.3
449.16223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01854	0.1
55.98290	0.1
56.05015	0.2
57.03427	0.2
61.02914	0.2
65.03915	0.2
68.99773	0.8
69.03428	0.8
70.06594	0.8
71.04984	0.8
71.16616	0.3
71.16962	0.2
72.08131	0.3
73.02907	0.1
74.96616	0.1
75.55910	0.2
79.05479	0.5
81.03399	0.5
81.07049	0.2
84.04490	0.3
84.08110	0.6
85.02903	1.3
86.09682	0.5
87.29572	0.2
87.61488	0.1
90.36537	0.1
91.05456	0.5
93.07030	0.3
95.04967	0.4
97.02880	0.3
100.07551	0.3
105.03380	0.3
107.04955	0.7
107.08605	0.2
109.02837	0.4
111.00796	1.0
111.04411	0.3
111.08032	0.2
115.05519	0.2
117.06989	0.3
119.04920	0.2
120.08125	0.3
121.02866	4.0
121.18581	0.1
123.04360	0.2
127.03876	0.2
129.06996	0.2
130.05002	0.6
133.02788	0.7
135.04391	0.2
135.08043	0.3
137.02348	2.5
137.03416	0.2
140.06992	0.1
141.01794	0.2
141.06960	0.2
145.06430	0.4
147.04434	0.8
147.07613	0.5
153.01820	5.6
157.06433	0.6
161.02257	0.1
161.05980	0.2
163.03908	0.3
165.01828	2.1
169.06369	0.1
171.04428	0.3
177.05429	0.3
183.02904	1.1
184.07318	0.2
185.05969	0.8
191.03375	0.1
191.93570	0.1
195.02800	0.2
197.05977	0.3
201.05486	0.2
203.07147	0.2
213.05464	1.8
229.04861	0.3
231.06403	0.7
232.34406	0.1
241.04948	1.3
258.05240	1.7
259.05960	0.6
263.05386	0.2
269.04480	0.3
287.05484	100.0
288.05811	2.6
299.05505	0.4
302.04108	0.1
303.04980	2.8
315.04971	1.5
316.05774	0.3
327.04996	0.5
329.06470	0.3
339.08890	0.2
345.06104	1.7
353.06686	0.2
367.08151	0.3
369.05991	0.6
395.07452	0.4
413.08698	1.3
431.09879	0.8
449.10892	1.1
449.38849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.16034	0.3
53.03931	0.8
55.01862	0.5
57.03410	0.8
61.02910	1.3
61.44709	0.3
68.99798	0.9
69.03430	3.1
69.56511	2.3
71.04996	0.5
73.02917	0.6
74.48000	0.3
81.03410	1.4
85.02902	9.1
87.04481	0.6
91.03947	0.7
96.45774	0.3
97.02883	3.0
97.37901	0.3
98.21481	0.6
102.00201	0.3
107.04930	0.5
109.02866	1.3
111.00784	0.9
117.66862	0.3
121.02864	3.7
127.03922	1.7
133.02834	0.8
134.05531	0.3
137.02376	1.5
145.04951	1.1
145.06534	0.3
147.04411	0.7
153.01820	6.3
157.06462	0.7
165.01843	2.3
183.02901	1.0
185.05954	0.9
189.05525	0.4
213.05502	1.6
231.06569	0.9
241.05061	1.0
258.05258	1.1
259.06110	0.5
269.04391	0.4
287.05496	100.0
288.05841	3.8
303.05002	1.2
329.06482	0.6
449.31195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Quercetin-7-O-rhamnoside
Peak:m/z	Relative Intensity
53.22017	0.9
57.03434	7.8
68.99800	0.9
69.76981	6.6
70.39409	1.0
73.02918	3.0
75.04483	28.7
85.02909	1.0
88.24374	1.1
94.00922	1.0
98.21439	1.1
120.08070	1.2
120.83598	1.0
126.02556	1.0
137.02339	3.8
153.01830	4.2
165.01836	2.8
201.05489	2.6
229.05049	5.5
257.04510	3.1
285.03839	1.4
287.05383	2.6
303.05002	100.0
304.05270	3.0
317.06351	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05494	0.2
57.03429	0.4
57.79948	0.2
61.02911	0.4
65.03925	0.4
67.01871	0.2
67.05491	0.4
68.99792	1.1
69.03432	1.2
69.07060	0.4
69.66681	1.4
70.06602	1.1
71.05001	1.0
72.08146	0.8
79.05479	0.7
81.03411	0.7
81.07064	0.2
84.04491	0.3
84.08126	0.9
85.02905	3.6
86.09705	0.8
87.04433	0.3
88.03998	0.3
91.05463	0.9
92.05791	0.2
93.07027	0.3
95.04971	0.4
97.02879	0.7
97.07638	0.2
98.21441	0.4
100.07604	0.2
105.03386	0.5
106.03739	0.2
107.04957	0.6
107.08569	0.2
109.02856	0.5
111.00809	1.2
111.04458	0.4
114.10300	0.4
119.04922	0.6
119.08638	0.2
120.08118	0.4
121.02863	3.3
121.10126	0.3
123.04390	0.6
126.03141	0.3
127.03903	0.8
129.05504	0.4
129.06934	0.2
129.10255	0.3
130.05000	0.3
130.06502	0.3
133.02809	0.6
135.04417	0.2
136.07596	0.2
137.02353	1.8
137.05942	0.3
141.06972	0.2
145.06470	0.5
145.10194	0.2
147.03224	0.4
147.04404	8.7
148.04730	0.2
149.02408	0.2
153.01828	5.1
153.03008	0.4
153.05484	0.3
153.06905	0.2
157.06522	0.6
161.06015	0.4
162.03087	0.7
165.01826	2.4
167.03487	0.3
167.04883	0.2
171.04485	0.2
173.05959	0.3
175.03862	0.2
177.05443	1.1
179.03366	0.2
181.06485	0.8
183.02853	1.1
185.05971	0.7
187.07568	0.4
188.01729	0.9
189.05441	0.2
197.05966	0.3
201.05476	0.4
203.03345	0.2
209.05962	0.3
212.09483	0.4
213.05505	1.7
213.10222	0.2
216.01132	1.7
217.04990	0.2
218.02655	0.4
226.06248	0.6
227.06929	0.9
229.04955	0.8
231.06480	1.0
237.05502	0.8
240.08905	0.2
241.02637	0.2
241.04878	1.1
244.00745	0.3
245.04341	0.3
255.06525	1.5
257.04510	0.3
258.05295	1.2
259.06027	0.5
262.01678	0.5
269.08188	0.3
269.12787	1.3
271.05881	0.3
272.06708	1.1
273.03333	1.0
287.05511	100.0
287.08929	7.2
288.05823	4.0
288.08765	0.2
299.05508	0.7
301.03455	0.4
303.04987	10.4
304.05344	0.4
315.04935	0.5
319.03720	1.2
329.06580	0.8
343.04498	0.5
345.06024	0.3
413.08765	0.7
431.09833	0.3
431.18381	0.3
432.13608	0.3
449.10541	1.4
449.16086	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	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.07177	0.2
53.03942	0.5
55.01862	0.8
57.03436	1.2
59.10326	0.2
60.61475	0.2
61.02930	1.7
65.03941	0.4
68.99782	1.2
69.03432	2.6
70.06595	0.5
71.05000	2.2
73.02912	0.4
81.03432	1.5
81.07043	0.3
84.08141	0.5
85.02903	9.8
86.09727	0.6
87.04468	0.5
91.03969	0.7
91.05478	0.3
95.04964	0.2
97.02890	2.6
97.06536	0.4
98.06023	0.3
98.21618	0.5
99.04439	0.4
105.03407	0.5
107.04943	0.7
109.02865	1.2
111.00791	1.0
111.04427	0.3
120.08086	0.3
121.02869	3.7
127.03915	1.3
129.05502	0.5
133.02795	0.4
135.04428	0.3
137.02371	1.6
145.02789	0.3
145.04991	0.8
145.06488	0.3
147.04425	1.1
153.00560	0.4
153.01828	6.4
155.09692	0.3
161.05957	0.4
165.01823	2.4
175.03821	0.3
179.03374	0.2
181.04971	0.3
183.02875	1.3
185.06004	0.6
189.05397	0.3
197.05814	0.3
201.05431	0.5
203.03360	0.3
213.05519	1.7
217.04855	0.4
222.69708	0.2
229.04895	1.6
231.06502	1.1
241.04985	0.8
257.04501	0.7
258.05298	1.3
259.06012	0.8
269.04568	0.4
274.04526	0.3
285.03967	0.3
287.05499	100.0
288.05884	2.6
299.05469	0.7
301.03659	0.3
302.04056	0.5
303.04996	20.8
304.05386	0.6
329.06516	0.5
345.05914	0.5
347.22348	0.3
449.11111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.86718	0.5
61.02924	6.5
69.03445	0.7
69.56362	1.5
69.56770	3.9
71.38250	0.6
73.02901	1.3
77.99962	0.6
79.24955	0.6
81.03413	0.7
82.28587	0.6
85.02915	4.7
86.32494	0.5
91.03960	2.8
97.02901	2.9
107.04911	0.6
121.02835	3.1
127.03848	0.7
133.02834	0.8
137.02293	0.9
147.04398	1.4
153.01839	5.4
157.06551	0.9
165.01833	1.8
183.02861	1.0
192.18286	0.6
213.05452	2.6
213.58295	0.7
213.60472	0.6
222.83014	0.7
231.06534	0.8
237.89610	0.7
258.05273	1.0
267.21671	0.6
287.05493	100.0
288.05899	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Quercitrin
Peak:m/z	Relative Intensity
53.15513	1.9
55.20002	2.3
57.03427	3.5
69.84616	5.3
69.85025	10.0
70.42187	2.2
71.04996	26.9
85.02914	21.4
123.72517	2.1
129.05496	6.0
131.76750	2.1
137.02359	3.7
153.01830	3.8
156.25938	2.3
207.61069	2.1
229.05026	4.5
234.84026	2.4
242.19168	2.4
303.04999	100.0
304.05402	3.1
309.81253	2.4
315.04834	3.5
344.35428	2.2
345.05960	3.3
413.08664	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	448.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01868	2.3
55.85989	2.5
57.03439	3.2
63.99386	2.5
69.03430	14.0
69.26896	2.1
70.06586	5.2
71.57156	2.3
72.08126	4.1
78.03450	5.9
80.05012	3.7
81.03432	10.7
83.25682	2.2
84.04496	4.7
84.08128	5.6
85.02908	20.2
86.09691	6.4
88.03983	4.1
91.05807	5.3
96.04478	2.7
97.02886	7.9
106.02919	33.0
109.02866	5.5
110.06036	2.7
124.03950	100.0
127.03922	13.6
129.10271	3.0
130.04980	2.4
136.07530	3.0
145.04939	3.5
147.44054	2.3
149.02345	5.3
165.66418	2.2
172.15529	2.3
177.70538	2.1
179.01625	2.8
232.05954	2.3
250.07124	10.9
268.08084	16.5
273.82489	2.5
286.09204	71.2
287.05515	51.5
380.53879	2.5
389.14508	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	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.79673	0.3
57.03423	0.8
61.02928	7.2
61.92081	0.2
63.77790	0.3
68.99792	0.7
69.03412	1.1
69.56144	0.7
69.56574	1.5
73.02915	1.6
79.05473	0.4
85.02903	5.0
91.03942	2.9
97.02891	2.6
99.04460	0.4
102.05497	0.3
105.03354	0.6
107.04932	0.6
109.02884	0.5
111.00798	0.9
121.02869	3.9
127.03905	0.8
133.02840	0.7
135.04436	0.3
137.02318	1.1
145.04958	0.4
145.06429	0.4
147.04399	0.8
153.01823	6.7
157.06512	0.6
165.01807	1.9
183.02907	1.0
185.05994	0.6
203.10403	0.3
213.05527	1.5
229.05052	0.4
231.06528	1.0
232.35020	0.3
241.04861	0.9
258.05215	1.3
259.05960	0.7
269.04449	0.5
287.05490	100.0
288.05826	2.5
299.05399	1.5
303.04852	0.5
304.08698	0.3
313.90283	0.3
329.06567	1.0
353.06628	1.2
413.08554	0.5
419.01801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01877	1.0
57.03441	3.4
60.04530	0.7
61.02927	2.8
65.03941	2.0
69.03433	7.9
70.00520	0.5
70.06587	1.2
70.39610	1.8
71.01361	2.6
71.04974	0.8
72.08145	1.7
73.02918	4.0
75.04468	0.5
75.88522	0.5
79.05493	0.5
81.03399	3.0
83.01337	1.0
84.04526	0.8
84.08139	1.6
85.02904	41.9
85.33050	0.4
86.09715	2.0
87.04485	0.8
88.03928	0.7
91.03951	1.2
91.05795	0.7
92.04996	6.7
95.01329	18.4
95.05000	0.6
97.02890	12.7
99.00807	1.9
99.04455	1.4
101.02382	1.0
103.03938	1.7
106.06559	2.0
109.02884	2.0
109.05260	0.6
110.06041	100.0
111.04437	1.9
113.02371	3.9
116.22585	0.4
120.04452	0.6
122.06026	1.8
123.00773	0.8
124.03952	0.6
127.03923	9.2
129.10258	1.1
131.03403	2.9
131.04955	0.5
134.06024	4.3
141.01826	39.4
142.02133	0.8
145.04959	10.4
147.04366	0.8
149.02296	0.6
152.07042	3.2
159.02875	4.4
163.06047	1.2
169.99544	0.4
175.06239	0.6
176.07074	0.8
177.00703	0.6
177.03912	0.7
177.05385	0.5
187.14514	0.4
202.36751	0.5
237.02910	0.8
238.09143	0.5
247.88979	0.5
248.09003	0.5
250.07216	0.6
254.10155	0.7
259.11978	0.5
268.08044	0.5
272.11212	2.4
286.09244	1.5
287.05457	9.9
293.78595	0.5
301.13885	0.5
328.10266	0.7
448.14218	0.7
448.19678	1.1
449.09674	0.5
468.01981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
53.40252	1.2
55.01869	18.8
55.05508	51.0
57.03436	68.5
57.07072	14.1
60.16583	1.5
64.46614	1.4
67.05499	16.8
69.07068	49.7
70.10670	7.9
71.08631	14.3
79.05496	11.2
81.07057	16.7
83.04958	3.3
83.08145	2.9
83.08617	39.6
85.10186	4.4
86.79144	1.5
91.61639	1.6
93.07040	9.9
95.08607	13.9
97.06515	4.0
97.10168	30.5
98.21438	1.9
98.98464	89.8
104.08527	1.6
107.08596	5.1
109.10163	3.0
111.08086	3.3
111.11757	7.0
116.99496	3.2
121.10132	13.1
123.11709	2.0
129.05467	1.9
135.11691	6.7
136.99988	98.8
137.13257	2.5
149.13258	2.2
151.29257	1.6
155.01033	76.9
176.99686	1.6
178.02676	1.9
193.02588	15.5
211.03677	15.5
212.37726	1.6
219.21036	3.1
237.22145	17.6
293.24826	2.3
311.25803	74.1
312.26199	4.5
447.25073	100.0
448.25375	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	6.3
55.01863	5.6
55.05515	24.0
57.03428	18.2
57.07069	6.2
65.03954	5.2
67.05505	82.2
69.07059	19.7
69.93683	30.1
78.45283	4.6
79.05486	59.3
81.03426	25.5
81.07059	80.5
82.07378	7.3
83.04964	5.2
83.08602	16.6
91.05455	44.7
92.05781	5.9
93.07052	69.4
94.07418	5.7
95.04961	20.5
95.08606	57.9
97.10179	9.0
99.04385	4.8
105.07014	34.0
106.07353	6.3
107.04950	7.3
107.08576	31.8
109.06479	7.0
109.10146	28.1
111.08067	6.4
112.99232	5.7
113.00011	94.3
115.05500	7.7
117.06999	12.7
119.08587	27.4
121.06485	5.6
121.10145	28.2
123.11736	11.0
129.07024	8.6
130.63805	5.5
131.08566	32.3
133.10127	22.8
135.08054	6.2
135.11684	22.9
137.13280	7.0
145.10144	27.1
147.11676	8.9
149.02342	7.0
149.09633	7.4
149.13258	8.6
157.10118	9.5
159.11652	11.5
161.13322	9.0
163.11212	5.6
163.14766	13.4
169.02594	40.2
173.13354	6.6
184.40852	5.1
187.03661	11.7
193.12303	6.3
233.22591	4.6
241.15405	4.7
243.21074	17.4
261.22156	22.9
262.22464	4.8
304.65784	5.0
317.24655	8.2
335.25766	100.0
336.73236	5.3
355.22592	8.9
433.53894	5.3
447.26999	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	447.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01871	1.3
55.05514	3.2
57.03432	5.7
61.02924	12.9
65.03921	0.8
67.05500	7.3
68.99784	1.0
69.03429	6.7
69.07066	3.9
70.06580	0.9
71.01353	1.1
71.04975	2.4
71.58461	0.8
72.08136	0.5
73.02915	18.4
74.16672	0.5
79.05478	4.4
81.03414	4.6
81.07050	19.7
82.07365	0.7
83.04967	2.2
83.08607	2.0
84.04502	0.9
84.08148	0.9
85.02901	12.9
85.06532	1.6
86.09687	1.3
87.04457	2.0
91.03956	7.4
91.05466	5.9
93.07034	3.1
95.04949	1.5
95.08618	3.9
97.02879	10.1
97.06519	2.0
99.04453	3.3
99.08060	1.3
101.02366	3.1
101.06032	0.6
103.03926	1.6
105.07028	12.1
107.08634	2.8
109.02876	4.1
109.06500	1.5
109.10109	0.7
111.00813	1.8
115.03908	0.9
117.05467	0.9
118.53244	0.6
119.08585	8.0
121.02850	1.5
121.10138	6.2
123.08057	1.6
123.11700	7.5
127.03914	6.1
127.07552	1.2
129.05519	0.8
133.10075	0.9
135.11691	0.5
137.02325	4.4
137.05945	0.8
145.04929	1.4
147.11681	23.1
149.02301	0.7
153.01804	5.3
156.08466	1.0
163.03931	0.8
165.01845	2.2
165.12752	14.7
173.05937	0.8
175.11165	1.0
179.03404	1.2
183.02878	1.3
183.06483	1.3
183.13817	2.2
191.08559	0.6
193.12244	1.2
195.02994	0.7
201.05508	2.2
201.07524	1.0
207.02876	1.1
229.04970	4.4
229.14316	4.4
247.05952	1.0
257.04459	3.4
267.15912	6.3
274.04678	1.1
285.03976	1.2
285.07462	0.7
285.16946	13.2
287.05420	0.8
303.04977	100.0
304.05316	7.1
309.16803	0.7
310.07333	1.3
313.16385	1.4
327.05139	0.8
327.17889	0.7
357.11038	0.8
371.07669	0.6
385.10559	0.7
411.19989	1.0
447.21844	1.2
458.90140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1287
Annotation	Glycitin
Peak:m/z	Relative Intensity
53.03941	0.2
55.01859	0.2
56.05015	0.2
58.47851	0.2
60.04499	0.2
61.02917	0.2
67.05482	0.3
67.67500	0.1
69.03405	0.3
69.07008	0.2
70.06567	0.7
71.01333	0.2
71.57340	0.3
72.08128	0.4
73.02912	0.2
76.76978	0.2
79.05467	0.7
81.03416	1.4
81.07028	0.6
83.04971	0.5
83.08605	0.3
84.08130	0.4
85.02888	0.7
86.09693	0.3
91.05463	0.6
93.07008	0.6
95.04948	0.5
95.08586	0.2
97.02861	0.2
105.07041	0.3
107.04968	0.2
107.08548	0.4
115.05452	0.2
119.04922	0.5
119.08564	0.4
121.02863	0.5
121.10133	0.6
124.01603	0.6
125.07076	0.3
133.02861	0.2
133.10139	0.3
137.02394	0.4
137.05960	0.3
141.05478	0.2
145.02831	0.5
147.04417	0.9
147.08032	0.2
148.04768	0.3
149.02313	0.4
149.05917	0.2
153.01820	0.7
163.11166	0.3
167.03418	0.6
169.02596	0.2
170.02101	0.7
177.05447	0.3
179.03416	0.5
180.03758	0.2
181.12190	0.4
187.03659	0.2
193.12245	0.9
195.55855	0.2
199.13263	0.2
201.05434	1.0
202.05786	1.2
231.06381	0.2
235.97652	0.2
241.14459	0.2
242.05739	5.3
243.06116	0.3
253.05051	0.4
267.15927	0.7
269.04456	4.1
270.05222	35.6
271.05524	1.1
285.07562	100.0
286.07919	3.4
301.05386	0.2
315.05057	0.3
369.06345	0.2
447.08987	0.8
447.27124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0923
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
53.03953	0.4
55.05532	0.7
57.03450	0.6
59.05008	0.4
61.02947	1.6
67.01904	0.5
67.05537	0.8
68.99787	2.0
69.03455	1.3
69.63036	2.8
71.04996	0.6
79.03983	0.3
79.05473	0.5
81.03451	0.6
81.07059	0.9
83.04990	0.6
85.02915	0.5
87.04489	0.5
91.05463	0.4
93.07063	0.5
95.08636	0.3
97.02910	1.0
99.31614	0.4
105.07037	0.8
107.08653	0.4
109.02908	1.1
111.00835	1.5
113.34036	0.4
119.08628	0.4
120.74880	0.4
121.02941	0.5
127.03967	0.4
134.03702	0.5
135.04414	0.7
137.02393	1.3
145.02856	0.6
145.06502	0.6
147.04459	1.5
149.02422	0.6
149.06024	0.6
151.03951	0.7
153.01820	13.3
155.04939	0.4
157.06496	0.9
159.04382	0.8
159.11649	0.5
161.02376	0.9
161.06004	0.7
163.03986	1.4
165.01854	0.5
171.04430	0.9
173.06200	0.6
175.03889	2.7
179.03398	0.5
183.04440	0.5
185.06026	1.5
187.03925	1.4
189.01878	1.5
191.03461	0.5
197.06047	1.0
199.03851	1.0
201.05519	1.1
203.03398	5.7
203.07028	0.5
205.01355	0.5
207.02928	1.9
211.03996	0.9
213.05417	2.7
215.03415	1.0
217.04932	0.7
221.06123	0.4
225.05583	0.6
227.03424	0.9
229.01381	0.5
229.04955	2.4
231.02879	0.9
231.06544	0.6
235.02269	0.5
237.05516	0.6
239.03282	2.1
239.07253	0.5
240.04355	0.5
241.04945	2.9
243.02946	3.7
243.06720	0.4
245.04454	1.0
249.05453	0.8
253.04991	2.0
255.02824	4.7
257.04602	2.0
258.05356	2.2
259.06042	2.5
263.01947	0.5
266.05765	0.8
267.03098	0.7
267.06546	1.6
268.03632	2.1
269.04425	5.3
273.03891	4.3
277.04987	0.8
281.04440	1.6
283.02505	2.5
283.05444	0.6
285.03943	5.5
286.04697	5.1
287.05518	1.7
289.03769	0.4
291.06519	0.6
293.04596	0.7
294.05103	0.9
295.02664	0.8
295.05865	3.5
296.03174	5.0
297.03909	14.4
298.04727	1.3
301.03442	4.9
303.05035	1.3
305.04465	1.7
309.03934	0.6
311.01855	1.3
311.05081	0.7
313.03409	24.1
314.04199	7.3
315.04993	2.4
319.06027	1.2
321.04138	0.8
322.04730	1.0
323.05438	2.8
325.03525	2.6
326.04251	0.9
327.04999	1.9
329.02905	9.7
331.04477	0.5
333.04071	0.9
337.07135	0.9
339.05289	0.5
341.02832	1.6
341.06534	7.6
341.10358	0.7
343.04483	100.0
344.04904	2.3
347.05447	5.1
350.04056	0.4
351.04999	5.2
353.02951	3.4
355.04242	0.5
365.06464	1.4
367.04416	1.2
369.06009	8.9
383.07675	0.8
385.05557	4.2
393.06030	39.7
394.06332	1.4
411.07117	17.4
412.07404	0.6
415.10208	0.7
429.07623	1.9
447.09134	13.8
448.09125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.0
56.05024	2.0
57.03438	1.0
60.04504	1.1
67.05487	1.5
69.03429	1.1
69.07043	1.7
69.60317	2.6
69.60732	4.3
70.06586	5.5
70.38613	0.9
72.08164	5.7
79.05475	1.1
81.03426	1.9
81.07076	1.0
83.04991	1.0
84.04512	2.5
84.08141	4.1
86.09704	9.9
87.10005	0.9
91.05420	5.8
93.07044	1.6
95.04983	1.6
95.08627	1.5
96.17401	1.0
98.20706	1.1
99.50925	0.8
105.07053	1.5
107.81673	0.8
109.50710	1.0
110.07178	1.1
111.04430	1.3
116.07108	1.0
119.04929	8.7
119.08558	1.8
120.08068	1.5
121.47904	1.1
127.00009	1.2
128.22853	0.9
129.06987	1.0
129.10260	1.5
131.04901	1.0
132.00995	0.9
137.02356	2.8
143.11786	1.3
147.04410	26.6
147.05528	1.8
156.10262	1.1
161.02127	1.8
169.02618	8.9
173.12883	2.5
179.03232	1.5
186.05545	1.0
187.03644	5.2
193.12344	1.8
197.04231	1.8
201.05508	2.1
201.12320	1.8
202.05867	1.9
221.04218	2.9
239.05247	2.4
255.04761	1.9
255.11270	1.2
257.06393	8.4
267.15814	1.0
284.32422	0.9
287.05615	1.6
301.05347	8.4
315.04776	4.7
325.06946	1.8
343.07901	8.4
361.02521	1.6
361.03970	1.6
361.08939	24.4
385.08951	26.8
403.10010	16.9
447.09009	100.0
448.09430	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.05508	3.5
56.05033	1.8
57.03431	2.0
67.05496	3.5
69.03420	5.6
70.06580	6.1
71.04990	4.7
71.57393	2.7
72.08135	3.9
78.71302	1.4
79.05463	3.1
81.03397	4.4
81.07038	2.5
83.04971	3.0
83.08655	1.6
84.04486	3.5
84.08177	3.1
85.02905	11.5
85.06563	1.7
86.09714	9.8
87.14769	1.3
89.06013	1.6
91.05402	2.3
91.05859	3.6
93.07034	2.7
95.04955	2.4
95.08586	4.0
96.08128	2.4
97.02895	4.3
97.06528	1.8
98.06056	2.0
99.04431	1.9
103.05441	2.3
103.60020	1.7
105.07020	2.9
107.04917	1.4
107.08616	3.4
108.08084	4.3
109.10148	2.5
115.05466	2.2
119.04971	3.6
119.08560	3.2
120.08116	3.5
121.06477	2.4
121.10151	5.3
123.04438	1.5
123.08060	5.7
124.07576	4.8
124.11233	3.7
127.03911	1.9
127.38319	1.5
131.04926	2.1
133.10068	2.2
135.08025	3.8
136.07640	1.6
137.02328	2.9
137.05959	2.3
140.04654	1.9
142.12265	2.0
143.11789	4.1
145.02841	3.2
145.06467	3.6
145.10121	1.6
147.04427	5.6
147.11674	1.7
149.05835	2.1
149.09697	2.1
153.09122	2.3
158.03645	5.6
166.12306	1.6
167.07048	4.3
167.10681	5.5
173.06012	7.8
177.05452	8.7
178.05792	2.4
178.12338	2.1
179.03418	1.9
186.03133	6.2
189.12743	2.1
191.69371	1.7
192.07932	1.5
192.10272	1.6
193.12227	1.9
196.13258	4.0
201.05458	100.0
205.12320	1.5
206.15572	1.6
213.05508	4.7
220.09752	2.7
231.06602	8.8
240.15932	2.3
247.07510	1.6
248.16490	7.1
266.17526	18.1
284.18570	15.6
315.04901	6.1
316.24686	1.4
335.08926	1.7
360.03055	2.3
367.11694	2.2
385.12729	2.3
429.16714	2.5
446.24164	16.0
447.08832	3.5
447.17221	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	446.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92902	0.6
56.05038	1.1
56.88208	0.7
60.91276	0.7
63.44695	0.6
65.61644	0.9
70.02939	0.9
70.06593	9.9
71.57117	1.0
71.57521	0.7
72.08144	2.1
73.04754	2.0
78.08426	0.7
83.06101	1.1
84.04514	1.2
84.08144	0.9
85.02896	0.9
85.04047	1.2
86.09705	100.0
88.03992	7.2
90.05559	12.8
91.05801	12.8
92.06204	0.9
101.07142	4.5
102.05525	0.8
103.05444	0.9
111.08228	0.7
124.03957	3.8
127.05042	18.8
129.10236	1.8
130.06523	1.5
131.04948	1.1
136.06165	0.8
141.06613	0.9
141.10245	1.1
145.06090	7.4
148.03970	1.8
157.07632	1.5
157.13361	48.3
166.04973	4.8
167.05531	3.4
168.05576	1.0
170.04524	1.5
171.11304	0.9
173.05589	16.8
175.08691	1.4
181.09856	0.9
183.96057	0.8
185.12865	27.0
186.60643	0.8
187.07117	1.6
189.63933	0.7
190.10925	2.4
198.07500	4.1
205.08203	6.4
216.09695	1.0
225.04245	1.1
226.04503	0.9
226.08197	1.0
234.13545	3.0
242.14992	6.5
244.09369	3.5
260.10422	1.6
262.10333	10.5
286.13953	3.3
296.12637	0.7
315.12885	1.1
357.17703	6.7
359.02679	1.7
360.02924	5.7
375.18839	2.7
385.16974	3.6
421.23474	0.9
428.21490	1.6
446.22519	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	446.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
56.05035	0.7
57.03423	0.6
62.06075	0.7
70.06589	1.4
72.08154	0.6
78.04713	1.8
79.05476	3.0
79.97304	0.5
81.03413	74.1
81.06989	0.7
82.03754	0.9
82.06578	0.5
84.08119	0.8
85.02907	0.9
86.09705	2.4
88.03994	2.4
88.93042	0.5
91.05486	1.8
93.07046	1.0
95.04961	1.0
96.04465	0.9
103.05455	6.2
105.07040	0.9
105.70909	0.5
106.04170	0.6
107.04951	3.8
109.06522	0.8
115.05453	6.8
116.06234	0.6
117.07008	6.3
117.51488	0.6
121.06532	0.7
122.03688	1.2
123.04413	5.5
124.05192	2.1
124.96717	0.6
125.05994	0.6
131.04916	11.9
132.05708	0.6
137.05966	13.2
140.07030	1.9
143.04922	2.5
144.05656	1.8
145.06477	9.0
146.03624	3.5
146.51730	0.6
147.04399	0.7
147.08000	0.8
151.03906	1.9
152.04689	2.0
156.05745	1.5
160.05222	4.5
161.05977	8.5
163.07539	4.1
166.21637	0.7
167.07030	100.0
168.07373	2.3
172.05185	2.0
173.05963	8.1
175.07536	15.6
176.07869	0.7
177.09071	1.1
180.09343	0.6
181.05016	1.1
181.08607	1.6
187.07527	10.6
190.06204	4.0
191.06949	0.9
201.05472	2.4
202.06049	0.5
203.06981	0.7
205.06610	1.2
205.08473	9.0
207.08118	0.6
217.08537	5.8
226.10754	0.9
231.06555	0.9
234.06717	1.0
235.07855	1.3
235.09634	35.3
236.09926	0.7
242.05710	1.0
249.09055	1.7
253.09467	0.9
254.10175	1.1
262.10638	3.8
266.09308	1.2
270.05197	2.0
277.08527	2.5
281.11584	1.6
285.07526	5.7
292.11731	0.9
294.13297	1.2
295.09470	0.7
304.11252	0.6
309.11099	3.4
322.12860	2.7
326.11539	1.2
339.12183	1.9
340.13831	0.7
341.13757	3.5
355.11600	0.7
366.11282	1.6
367.11731	0.6
378.11032	0.8
416.16934	0.7
428.16833	1.2
446.18176	4.2
446.23627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.7
55.08852	1.5
56.09049	1.3
57.03437	2.3
60.16090	1.2
65.03938	1.5
70.06595	2.3
72.08159	2.1
73.02914	6.9
78.04714	1.4
79.05488	6.4
81.03403	2.4
81.07034	2.8
82.06471	1.2
84.08136	2.1
85.02916	1.9
91.05434	2.8
93.07056	1.7
95.04972	4.1
95.08568	1.3
103.05503	2.0
105.07036	2.3
106.36458	1.4
107.04940	9.9
115.05455	3.2
117.07014	1.9
121.02772	2.0
123.04449	8.5
124.05185	3.4
125.05991	1.6
129.06963	1.5
131.04903	6.5
132.05710	3.2
135.04391	1.5
137.02316	2.7
137.05984	2.3
140.04701	6.8
145.06506	4.5
147.04425	4.4
151.03966	3.2
151.07513	2.2
152.05989	1.7
153.01859	4.8
153.05493	4.1
155.05945	2.1
155.07036	5.7
158.03638	4.8
160.05191	2.2
161.06064	2.3
167.07048	66.9
168.07455	2.1
169.07660	2.4
173.06038	10.3
175.07529	1.6
177.05487	6.3
178.07733	1.6
181.04970	3.0
184.05238	1.3
184.07303	1.5
186.03172	5.8
189.07076	2.0
190.07773	3.0
191.06964	4.6
191.08542	2.1
192.07674	3.5
194.07307	1.7
195.05420	1.6
196.06154	1.8
197.07034	3.0
201.05467	90.8
202.05927	2.5
202.15762	1.3
203.03349	1.4
203.06985	2.4
204.05775	1.4
205.06543	3.6
206.07222	1.6
207.08086	4.8
209.09698	1.4
213.05424	32.1
216.04143	2.4
217.06531	1.5
218.07321	4.8
219.08095	7.7
220.05208	3.3
221.06004	5.3
225.06596	2.8
229.04932	3.1
231.06517	27.4
232.04999	1.5
233.06035	2.3
234.06731	4.7
235.07533	9.5
236.08272	5.6
239.08214	1.8
243.10127	2.7
246.06760	8.6
247.07571	11.4
248.04613	3.5
248.08406	2.2
249.03191	1.8
249.05522	9.9
249.09081	1.6
250.06111	3.1
251.07146	3.7
252.07700	3.1
253.08571	2.9
257.06067	2.2
260.04660	6.2
261.05441	3.7
261.08978	2.1
262.06143	3.2
263.07056	13.1
264.07797	12.1
265.04852	2.1
265.08585	4.0
267.10159	2.2
271.07092	2.4
274.06247	6.3
275.06958	11.4
276.07855	3.1
277.05005	11.3
277.08521	3.8
279.06485	2.4
279.10019	3.6
280.07361	2.7
281.07974	2.4
285.03983	2.2
285.08762	2.2
288.04208	6.0
289.04913	5.3
289.08487	1.5
290.05609	1.6
291.06439	5.4
292.07309	18.2
293.08044	3.4
295.06854	3.3
295.09680	5.6
297.04007	1.9
302.05701	4.8
303.04691	51.2
304.07114	3.8
305.04510	9.6
305.07953	3.0
306.08749	2.5
307.09625	10.3
308.06659	2.0
309.07654	3.9
312.09735	1.4
313.03543	1.4
313.08215	4.6
315.04846	2.4
320.06778	29.6
321.07358	3.9
322.08408	4.0
323.09085	5.8
327.12350	3.2
330.53748	1.7
335.09128	67.2
336.09683	2.7
337.07138	2.0
337.10751	5.0
339.12268	2.4
343.04517	7.2
352.09531	2.5
355.11771	39.0
356.12012	1.9
360.02838	1.8
367.11765	100.0
368.12137	4.7
385.12781	4.4
386.09869	5.1
413.15564	1.6
428.10999	5.9
446.11942	6.3
446.17871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
53.19806	0.5
57.88218	0.5
67.17472	0.5
69.24786	1.4
69.25208	4.5
70.06595	3.5
72.08150	2.9
73.04745	1.1
74.06073	0.7
77.03892	0.5
84.04498	1.9
84.08126	2.5
85.02900	1.6
86.09705	3.9
91.05798	7.5
95.04950	1.1
95.06084	1.2
101.07180	0.8
102.05495	0.7
103.05466	38.9
111.04459	0.5
115.08676	0.5
119.04951	0.6
127.05061	0.7
129.10208	1.0
130.06528	1.0
131.04922	100.0
132.05231	1.1
137.05992	0.7
143.08145	0.7
147.04413	1.9
163.07541	40.9
163.12230	0.8
164.07907	0.9
167.05594	2.5
167.06871	0.6
168.05647	0.6
170.06117	0.5
173.05489	0.6
186.05513	0.9
228.13075	0.5
231.85071	0.5
271.11514	0.7
344.24527	0.5
359.02847	0.9
360.02774	3.4
446.14502	0.7
446.22186	0.8
447.08951	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01863	6.0
55.05508	22.1
56.24035	1.3
56.59080	1.5
57.03440	9.2
57.07061	2.9
61.76547	1.2
65.03927	1.9
67.05505	46.6
69.03426	13.8
69.07071	16.3
71.04987	9.6
71.58446	1.6
73.02914	5.5
75.04459	2.6
77.03904	1.5
79.05491	50.2
81.03410	3.4
81.07054	50.2
82.07391	1.3
83.04547	1.6
83.04981	9.1
83.08611	7.8
85.02895	12.7
85.06538	1.8
86.09751	1.4
91.05462	64.7
92.05798	1.9
93.03408	1.9
93.07040	100.0
94.07374	3.8
95.04966	14.8
95.08605	30.5
97.02889	9.9
97.06518	5.1
97.10168	4.0
99.04433	2.1
103.05465	3.5
105.04505	1.5
105.07027	52.7
107.04954	6.7
107.08588	28.4
109.06506	6.3
109.10155	13.0
111.04455	4.9
111.08086	7.1
113.00020	32.3
115.03958	3.0
115.05454	4.8
116.06274	1.8
117.06217	2.4
117.07021	33.7
119.08574	37.7
121.06502	8.9
121.10137	63.5
122.10455	2.4
123.08086	6.0
123.11703	5.1
125.09629	3.6
128.06242	7.0
129.05472	3.3
129.06999	23.8
130.07813	2.8
131.08560	50.6
131.09521	2.7
132.08929	1.8
133.06491	4.8
133.10130	19.2
135.08081	4.8
135.11703	6.4
136.06189	4.6
137.09590	3.7
139.11206	2.4
141.06970	8.5
142.07813	1.9
143.08551	21.1
144.09242	1.6
145.06473	3.7
145.10114	29.5
147.08067	6.0
147.11639	8.9
149.09607	27.3
149.13263	2.4
151.11235	2.1
155.08542	13.8
157.10130	15.0
158.07330	1.3
159.08058	4.3
159.11678	10.7
161.09644	4.2
161.13248	8.2
163.11227	2.3
165.07002	2.0
167.05661	2.0
167.08545	6.2
167.10696	4.3
169.02654	7.1
169.10072	8.1
171.08038	2.4
171.11707	12.2
173.09570	3.1
173.13278	5.2
175.11182	2.5
175.14824	4.4
177.09079	1.9
177.12767	1.5
181.10080	6.3
182.10803	1.5
183.11705	10.4
184.07234	2.1
185.13235	10.2
187.03723	4.2
187.11198	3.0
187.14861	3.0
189.12805	1.6
195.11636	7.8
197.13263	8.9
199.11095	1.6
199.14813	4.4
201.12814	2.9
203.14299	2.4
209.13298	3.9
211.14848	5.4
213.12697	3.0
213.16304	1.9
215.10780	1.6
215.14391	2.8
215.17836	2.2
219.13756	1.7
221.13350	1.9
223.14833	3.3
225.16422	2.9
233.15326	3.2
241.15926	2.9
241.19505	9.3
245.15532	1.7
255.17465	2.1
259.17081	2.0
259.20599	9.2
281.13733	3.6
282.14218	1.7
295.15155	2.5
303.19955	1.3
317.22440	2.0
325.25375	5.0
333.24255	10.7
335.23636	8.9
343.26389	7.0
353.24750	26.4
359.02951	3.7
371.25824	16.8
389.26797	9.4
403.24530	1.4
418.76514	1.6
427.23141	1.9
427.28445	4.7
445.29523	81.0
446.29895	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	445.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01866	4.7
55.05510	16.8
57.03439	18.7
57.07059	4.8
61.15218	2.2
67.05505	28.7
69.03412	9.9
69.07058	8.0
69.91025	7.7
69.91430	4.2
71.01339	2.8
71.04972	9.7
73.02906	5.9
73.28606	2.1
74.32619	2.3
75.04471	4.1
79.05071	3.0
79.05493	33.9
81.03392	3.1
81.07050	39.2
83.04978	7.5
83.08609	5.2
85.02904	11.9
85.06525	3.9
91.05469	47.6
93.07046	100.0
95.04952	12.5
95.08611	26.8
97.02895	8.5
97.06554	2.8
100.04580	2.6
103.03938	3.7
103.26714	2.3
105.07034	41.1
107.08586	28.3
109.06525	2.7
109.10143	8.9
111.04404	5.6
111.08035	3.2
113.00017	84.6
117.07004	10.2
119.08591	40.1
121.06510	3.4
121.10144	64.0
123.08073	2.7
123.11694	6.5
127.62025	2.3
129.05463	7.6
129.07002	7.8
131.08571	29.1
133.10136	28.9
135.08038	3.1
135.11726	17.7
139.11180	2.6
143.08548	11.7
145.10135	14.8
147.08032	3.4
147.11674	20.6
149.09604	23.2
149.13251	8.4
155.07080	3.1
157.10146	9.6
159.11687	13.4
161.09615	3.1
161.13272	29.5
163.14771	5.6
167.10670	4.4
169.02588	9.4
171.11720	9.8
173.13251	7.7
175.14832	14.4
185.13248	9.1
187.03676	15.3
187.14809	5.8
199.14763	3.6
213.16353	2.8
215.17949	8.1
217.19460	4.7
231.21065	5.0
241.19505	43.4
243.21111	4.8
259.20575	34.7
277.21536	3.8
281.13882	5.4
315.23233	5.1
333.20432	4.9
333.24255	97.3
353.24670	2.4
445.29303	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	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
51.68975	0.8
53.03926	3.3
55.01861	4.0
55.05510	24.1
57.03435	4.9
57.07056	1.7
59.05010	1.0
62.57651	0.7
62.68279	0.8
65.03920	4.8
67.05502	54.7
69.03438	4.1
69.06731	1.3
69.07068	16.9
71.04986	6.0
71.59090	1.5
73.02900	1.4
73.06522	1.2
77.03908	1.2
79.05492	51.8
81.03396	2.4
81.07055	47.3
83.04996	5.3
83.08611	8.7
85.02892	3.1
85.06544	3.8
91.05466	69.8
93.07039	59.5
93.07897	1.1
95.04974	14.8
95.08604	33.7
97.02886	1.6
97.06526	6.3
97.10143	4.2
99.08077	1.6
103.05483	2.2
105.04507	1.6
105.07027	65.1
107.04942	6.3
107.08594	20.5
109.06497	5.7
109.10149	11.9
111.04434	1.9
111.08087	2.9
113.06047	1.2
115.05439	5.6
116.06243	2.3
117.07015	33.2
119.04953	1.7
119.08581	38.2
121.06512	7.4
121.10136	23.9
122.10506	0.8
123.08038	4.4
123.11733	2.1
125.09613	1.8
128.06223	6.2
129.06999	22.0
130.07777	3.0
131.08565	55.6
132.08936	1.1
133.06520	5.5
133.10129	19.4
135.08047	4.2
135.11720	5.4
137.05991	0.9
137.09586	2.7
140.15489	0.7
141.06992	7.3
142.07800	4.0
143.08549	23.1
144.09291	1.3
145.06470	4.3
145.10118	28.6
147.08026	5.0
147.11681	6.5
149.04514	1.0
149.09625	8.6
149.13240	2.8
151.11218	1.4
154.07806	1.7
155.08546	11.7
156.09309	0.8
157.06528	0.9
157.10121	18.2
159.08069	3.2
159.11684	12.5
161.09651	4.2
161.13263	2.5
163.11195	3.7
165.07008	1.0
166.07780	1.6
167.05629	1.3
167.08574	4.8
167.10664	1.8
168.09239	1.1
169.10109	10.4
171.08066	1.8
171.11678	10.5
172.37407	0.8
173.09572	1.9
173.13232	4.7
175.11139	1.9
175.14836	1.5
177.12775	1.3
179.08517	1.7
181.08630	1.4
181.10101	8.0
183.11678	7.1
185.09700	1.3
185.13252	7.6
187.11195	2.2
187.14861	3.5
189.12738	1.6
191.14357	1.0
193.10233	1.1
194.10847	1.4
195.11716	6.3
197.13239	7.5
199.11311	2.0
199.14789	5.2
201.16478	1.8
203.14386	1.1
205.15881	1.0
207.11821	1.3
207.13771	1.5
209.13307	4.5
211.14774	3.9
213.12776	3.1
213.16379	2.6
215.14330	3.1
217.15796	0.9
219.11700	1.0
219.13771	1.7
221.13289	1.8
221.15228	1.2
223.14925	4.2
225.12758	1.0
225.16380	2.9
227.14348	2.2
227.18092	1.2
229.15910	2.8
231.17331	0.9
233.15349	1.9
235.14819	1.2
237.16440	1.6
239.14447	1.2
239.17859	1.3
241.15816	4.2
243.17442	1.9
245.15399	1.8
247.17015	5.5
255.17427	3.2
259.16904	4.1
261.18542	3.7
271.16861	1.1
273.18460	2.6
275.20157	1.5
281.13898	1.9
307.24170	1.3
325.25204	5.2
335.23703	9.1
343.26288	6.4
353.24741	26.7
359.02631	1.4
371.25775	23.8
389.26843	19.2
390.27225	1.1
427.28445	6.2
445.29514	100.0
446.29779	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	445.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01867	3.4
55.05511	10.2
57.03438	16.8
57.07064	1.8
67.05506	29.9
69.03425	2.4
69.07068	9.9
70.13174	8.5
71.04976	4.3
73.02919	2.2
75.04475	1.7
76.49683	1.8
79.05491	31.8
81.03413	2.4
81.07057	37.5
81.41013	1.6
83.04979	3.4
83.08620	3.8
85.02898	4.3
85.06554	2.1
91.05472	37.5
91.06009	2.4
93.07044	61.1
93.07634	3.0
95.04961	5.6
95.08606	22.3
97.02898	2.3
97.06557	2.0
98.21470	2.3
105.07034	35.3
107.08592	24.8
109.10169	3.9
113.00016	96.1
117.06997	11.6
119.08578	39.1
121.10147	34.3
123.11724	3.3
128.06226	3.2
129.05478	7.9
129.06995	9.9
131.08560	19.6
133.10138	26.5
135.11690	15.6
142.07785	2.0
143.08543	8.4
145.10110	17.2
147.11688	23.5
149.09644	8.4
149.13284	10.4
155.07022	3.2
157.10100	9.1
159.11691	13.8
161.13275	24.1
163.14807	4.0
169.02629	9.3
169.10158	1.9
171.11751	11.0
173.13287	11.0
175.14844	14.0
185.13260	11.8
187.03680	13.8
187.14844	4.0
189.12752	2.9
199.14746	5.0
209.13760	1.7
213.16232	2.8
215.17992	4.9
217.19569	8.1
231.21040	4.9
241.19528	43.4
243.21069	6.6
259.20569	41.2
275.20111	2.4
277.21527	3.0
312.79938	1.7
315.23187	5.2
333.24237	100.0
334.24521	2.8
353.24878	5.5
427.22098	2.0
445.23932	2.7
445.29315	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14026	1.1
53.03931	2.1
53.98995	0.8
55.01865	3.3
55.05510	9.7
57.03434	9.5
57.07051	1.5
65.03935	1.6
67.05503	26.8
69.03432	6.7
69.07067	10.2
69.84186	3.1
69.84599	3.5
71.01350	1.0
71.04992	7.0
72.81007	1.0
73.02898	2.4
75.04486	2.0
79.05058	2.1
79.05492	26.3
81.03423	3.0
81.07056	33.6
83.04973	5.4
83.08614	4.2
85.02905	5.2
90.04722	1.1
91.04890	1.9
91.05460	41.9
93.07042	57.1
94.07406	1.0
95.04974	8.4
95.08603	24.6
97.02882	5.5
97.06550	2.4
97.10159	2.2
99.08062	1.4
103.03910	1.2
103.05444	1.9
105.07027	38.6
107.04945	3.0
107.08576	21.1
109.06504	4.6
109.10147	9.8
111.04453	2.2
111.08064	3.5
113.00014	100.0
115.05473	2.8
117.07021	12.6
119.08579	36.5
121.06493	3.6
121.10141	39.2
123.08047	2.9
123.11723	3.9
125.09575	1.5
128.06178	2.6
129.05475	3.1
129.06993	11.7
131.01093	2.0
131.08568	28.0
133.06470	2.3
133.10132	21.8
134.96986	1.1
135.08020	2.1
135.11676	9.6
137.06000	1.2
137.09608	2.0
139.11208	1.3
141.06996	3.4
142.07796	1.3
143.08568	10.8
145.06499	1.2
145.10120	17.0
147.08060	3.3
147.11684	16.0
147.12788	1.7
149.09618	15.2
149.13284	6.0
151.11136	1.4
155.07240	1.1
155.08556	2.7
157.10146	10.4
159.08006	2.1
159.11690	12.5
159.48738	1.1
161.09601	1.6
161.13257	18.8
163.11255	1.5
163.14803	2.9
167.05653	1.6
169.02621	18.4
169.10120	4.1
171.11667	9.7
173.13249	11.8
175.11183	1.8
175.14799	14.0
181.10138	3.1
183.11615	2.7
185.09692	1.4
185.13252	6.6
187.03642	13.3
187.14786	5.0
189.12695	1.3
189.16446	1.5
195.11671	3.0
197.13277	3.7
199.14836	4.8
200.42029	1.2
211.14922	1.8
213.12746	1.2
213.16289	1.3
215.17973	2.6
217.19539	3.2
219.11673	1.1
223.14792	1.7
225.16499	1.3
231.21098	3.8
241.19495	25.3
243.20946	1.4
259.20575	28.7
260.20911	1.7
281.13812	3.4
295.15292	1.5
315.23196	4.8
320.17841	1.2
325.25012	1.2
333.20404	1.8
333.24237	28.8
335.23615	2.9
343.26151	2.1
345.28928	1.3
353.24680	7.6
356.02197	1.5
359.02896	1.3
371.26108	5.9
389.26746	2.3
400.04782	4.0
427.22400	3.5
439.15042	1.1
443.40057	1.1
445.23648	1.9
445.29541	25.1
446.08997	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	445.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	3.6
67.05473	3.9
67.97476	3.1
69.07062	4.5
69.19367	3.0
69.59066	11.8
69.59487	12.9
69.64780	2.8
70.06590	18.4
72.08154	13.0
73.04757	4.8
79.05476	3.6
81.03426	4.5
84.04493	3.8
84.08138	12.1
85.02914	9.2
86.09706	37.0
89.03918	8.2
91.05810	10.6
93.07055	5.6
97.02876	6.8
113.79460	3.4
117.03369	26.0
119.08578	4.9
120.08104	5.0
121.10151	5.6
129.10281	6.2
135.04388	3.4
137.05960	7.0
141.01758	4.6
145.02847	55.7
149.05959	11.1
149.09735	3.6
167.05632	4.9
167.06999	5.6
173.92928	3.5
177.05470	100.0
183.14897	3.1
200.18484	3.4
201.05470	5.0
237.48740	3.9
359.02786	8.2
426.09506	3.4
443.45508	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	444.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01862	3.9
55.05513	34.8
55.53796	2.0
56.05033	4.5
57.03447	2.5
61.02910	2.4
62.06885	1.9
67.05499	5.1
69.03421	15.5
69.70993	16.9
70.06583	16.3
71.04984	3.9
72.08148	5.9
72.41784	2.2
73.02907	3.5
74.02438	15.0
75.06808	1.9
76.57005	2.0
79.05487	15.7
80.05048	2.9
81.03414	7.9
81.07059	8.4
82.06577	100.0
83.04986	2.6
84.04487	4.6
84.08139	9.3
85.02912	18.7
86.09698	23.5
87.00842	5.3
87.04461	3.2
87.10027	3.2
91.05407	12.2
93.07039	45.0
95.04974	7.4
95.08626	2.8
97.02895	8.5
98.06000	2.7
98.21392	4.2
99.04456	2.6
100.07607	21.8
100.99467	2.3
103.05454	3.3
105.01894	4.6
105.07018	6.7
107.04913	2.4
107.08588	31.0
109.02881	7.3
109.06490	3.5
115.03986	3.6
115.56572	2.0
116.07088	2.4
117.07048	2.5
119.04984	2.8
119.08642	3.7
121.06498	2.4
121.10142	26.8
122.10549	2.3
127.03925	9.0
128.07076	99.3
129.10245	2.9
131.08559	5.7
133.06606	2.4
133.10129	10.2
135.11656	4.7
136.07582	4.1
136.85049	2.0
137.05933	2.1
145.04984	3.3
146.08131	7.8
147.04442	3.8
149.09593	11.9
152.07076	2.4
153.33218	2.2
161.09547	5.3
163.10973	2.4
174.05609	3.7
177.05432	5.4
179.10667	7.7
186.30417	2.5
197.11710	31.7
222.38832	2.3
251.10371	4.2
253.56227	2.4
281.13846	7.1
283.05920	5.8
294.16983	57.3
306.92389	2.2
307.17773	2.7
357.81735	2.4
359.02716	3.8
444.21982	2.8
444.29965	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	444.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10058	2.6
55.05495	3.1
56.96578	4.2
57.03441	5.2
60.04525	3.3
61.02916	7.4
69.03426	16.0
69.33411	30.2
70.06586	22.0
71.04995	3.5
72.08174	13.5
73.02900	7.4
73.70731	2.3
81.03414	7.4
81.04543	2.6
84.04498	10.1
84.08141	13.2
85.02902	100.0
86.03219	2.8
86.06044	3.6
86.09708	9.9
87.04463	5.1
88.03985	3.2
89.30854	2.7
91.03979	5.0
91.05853	16.3
95.01311	20.3
95.04948	4.3
96.04524	3.0
97.02889	29.0
98.06013	3.0
98.20723	5.2
99.04436	3.4
100.07607	4.1
101.02399	3.1
102.27473	2.8
109.02866	6.7
110.07181	3.9
113.02349	3.3
125.54382	3.0
127.03904	31.1
129.10196	5.3
136.07568	5.9
137.05986	9.1
138.05499	12.6
138.09126	4.3
140.08183	2.9
141.01811	65.9
145.02849	8.5
145.04953	55.3
147.04411	13.4
159.02937	12.5
163.06058	18.0
163.07198	2.6
167.05562	9.3
177.03935	4.3
177.05470	10.1
215.54991	3.0
261.10245	3.1
291.79767	2.8
300.33743	2.7
306.13327	6.3
307.17770	3.4
359.02747	10.3
444.21661	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	444.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97185	1.6
53.03938	1.6
55.01862	3.8
55.05508	2.1
56.85992	1.3
57.03430	9.9
57.61190	1.4
60.04507	2.0
60.37912	1.4
61.02922	2.6
64.17928	1.3
67.05489	5.6
68.99792	1.5
69.03425	12.4
69.07063	3.3
70.06580	4.2
71.01341	1.4
71.05000	3.1
72.04507	4.4
72.08145	1.4
73.02918	17.6
79.05486	6.6
80.05023	1.7
80.05806	1.5
81.03445	1.7
81.07039	4.2
83.04971	3.0
84.04489	12.7
84.08134	6.1
85.02895	12.5
85.86532	1.3
86.09721	2.3
87.04462	1.5
91.05477	5.2
92.05859	1.6
93.07018	12.7
94.07364	2.7
95.04946	3.3
95.08590	3.3
97.02888	18.8
97.06507	1.8
98.06036	3.2
98.19899	1.7
99.04456	2.5
105.07019	4.8
107.08605	3.0
114.05587	1.7
115.03913	8.9
119.08581	6.5
120.08871	2.3
121.10115	6.9
126.05509	2.5
127.03908	2.4
131.08542	2.8
133.04967	3.3
136.06262	3.4
139.03851	1.5
140.04951	4.7
144.06560	5.0
149.09642	3.1
153.01791	2.3
155.06029	21.7
162.07620	34.9
167.05957	8.0
167.07243	1.6
168.06796	5.8
169.07602	47.9
170.05991	4.7
179.06032	14.3
180.08647	10.3
181.07567	3.7
182.05884	2.1
183.05530	23.2
183.09055	2.3
184.07672	1.7
185.07117	11.1
191.86877	1.8
193.07567	15.6
194.06027	2.7
195.05536	31.6
196.06310	17.9
197.07083	35.3
198.05508	7.9
198.07323	1.4
201.06639	2.4
204.08716	3.1
207.05482	11.4
209.07118	4.5
210.07747	1.9
211.08670	5.3
213.06587	27.9
221.07095	27.1
223.05009	3.3
224.05885	2.1
225.06581	63.9
227.08177	2.3
229.06042	21.6
229.73738	2.1
237.06581	6.6
238.07385	6.7
239.04526	3.5
239.05711	2.0
239.08125	31.9
241.05972	3.4
243.07629	9.9
249.06540	11.8
253.06041	7.0
255.07632	3.0
257.05688	7.6
265.06107	2.3
266.06903	2.0
267.07623	23.0
268.07498	1.9
269.05582	5.1
271.07098	45.8
276.10730	2.6
277.06146	12.7
285.08685	38.5
294.08768	1.9
294.11807	6.7
295.07123	50.4
296.07578	2.6
312.09494	3.4
312.12946	4.1
313.08163	40.3
331.09357	9.4
338.14990	15.3
359.03299	1.5
362.14984	1.9
380.11322	1.8
380.16074	24.5
384.15527	65.4
384.53485	1.6
385.16046	1.7
398.17084	60.6
413.08374	2.6
426.16571	50.7
427.16833	2.0
444.17651	100.0
445.17935	2.9
468.62137	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.5
55.01862	4.7
55.05502	22.2
57.07068	6.7
59.04997	10.1
64.98895	3.9
67.05509	44.3
69.03437	3.8
69.07067	90.9
69.94209	16.3
69.94624	6.5
71.04995	16.5
79.05489	30.6
81.07052	91.0
83.04969	5.8
83.08625	18.5
91.05476	15.1
93.07050	63.9
95.04961	5.7
95.08602	100.0
97.06520	7.0
97.10178	8.1
99.08074	9.4
105.07025	37.9
107.08592	69.0
109.06519	3.7
109.10155	89.6
111.11709	17.1
117.07011	7.5
119.08562	33.8
121.10142	59.6
123.11707	31.2
127.11201	22.1
131.08574	10.7
133.10118	26.3
135.11682	42.0
137.13281	14.4
139.11168	9.5
141.12766	5.5
145.10130	12.5
147.11674	29.8
149.13264	42.0
151.14838	4.7
153.12766	12.4
157.10056	3.4
159.11714	15.5
161.13274	15.4
163.14836	11.6
167.14336	4.7
173.13258	12.6
175.14822	17.7
177.16364	25.4
184.07301	7.2
187.14822	9.6
189.16426	15.0
191.17955	12.7
195.17619	5.1
201.16434	11.5
203.18018	14.6
215.18013	5.0
217.19524	13.0
229.19569	6.3
231.21112	4.3
259.24176	7.3
271.24387	3.8
285.25818	3.5
289.25342	4.2
425.37833	12.2
443.33469	20.5
443.38959	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	443.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	27.9
55.68200	6.1
57.07069	11.8
57.80831	5.8
59.04987	9.6
67.05492	24.3
67.15171	5.5
69.07065	86.2
71.58601	6.0
79.05473	23.1
79.92642	6.6
81.07061	97.1
82.07391	6.8
83.08585	29.6
91.05492	12.6
93.07041	63.4
95.08612	100.0
97.10182	7.6
99.08138	7.7
100.85921	6.3
105.07046	33.0
107.08596	87.8
109.10155	95.3
111.08044	7.9
111.11707	19.7
119.08575	45.9
121.10126	74.3
123.11700	45.2
127.11240	8.0
131.03705	5.8
133.10135	33.8
135.11688	55.0
137.13266	18.6
139.11241	7.6
145.10129	11.2
147.11685	22.4
149.13242	35.6
153.12752	14.6
159.11687	14.4
161.13258	21.8
163.14766	17.3
171.74005	6.6
175.14825	19.2
177.16353	25.1
187.14905	6.9
189.16383	16.2
191.17908	14.9
201.16232	7.1
203.17924	6.9
217.19516	9.5
357.72647	6.6
393.11368	6.5
398.74329	7.1
425.37808	23.9
443.33301	41.2
443.38721	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	443.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01859	6.1
55.05505	26.5
57.03421	6.8
61.02917	1.5
65.03924	4.2
67.05503	49.7
69.03430	1.6
69.07061	18.0
69.28825	16.2
71.04978	5.3
79.05489	39.8
80.05823	1.6
81.03436	1.9
81.07055	41.7
82.92726	1.4
83.04964	10.2
83.08614	10.6
85.02899	3.0
85.06527	1.7
86.09718	1.6
91.05477	65.3
92.05801	1.4
93.07041	40.0
95.04965	10.7
95.08604	20.1
97.06517	3.7
97.10155	4.0
98.21538	3.3
100.84609	1.3
101.70051	1.5
103.05460	4.6
105.07027	46.6
107.04956	6.3
107.08588	17.1
109.06498	9.1
109.10138	8.2
111.04422	5.5
111.08072	1.8
111.45772	1.3
115.05447	5.1
116.06236	1.9
117.07020	33.3
119.04913	1.6
119.08578	26.8
121.06530	8.9
121.10135	14.0
123.08056	4.3
123.11736	2.0
125.09604	2.7
128.06216	14.5
128.40628	1.5
129.06998	46.6
130.07796	2.3
131.04979	2.2
131.08562	43.6
133.06503	6.6
133.10112	12.6
135.08063	8.5
135.11720	4.0
137.09590	4.9
141.06978	17.5
142.07803	7.5
143.08551	35.2
145.06467	10.4
145.10091	19.7
147.08026	7.3
147.11674	4.7
149.09622	6.8
149.13306	2.2
151.11197	3.6
153.07011	2.6
154.07780	2.7
155.08530	24.3
155.09706	2.0
156.09346	2.5
157.06429	4.3
157.10103	21.8
158.07332	1.7
159.08072	5.8
159.11713	8.9
159.63612	1.4
161.09657	3.7
163.11241	1.7
165.07024	3.5
165.09100	2.1
167.08540	12.0
168.09288	3.3
169.10129	14.8
171.08070	4.7
171.11678	14.8
173.09576	3.7
173.13277	3.0
175.11174	2.3
177.12741	2.1
178.07808	2.3
179.08604	4.2
180.09293	1.6
181.10081	13.6
182.10887	2.2
183.08031	2.3
183.11710	11.5
184.07367	1.8
185.09644	2.6
185.13268	10.4
187.11198	4.0
187.14867	2.4
193.10139	6.3
195.11629	8.4
196.67966	1.4
197.09608	1.8
197.13298	7.6
199.11195	2.7
199.14835	2.6
201.12874	3.4
203.08624	1.6
205.10083	1.6
207.11739	5.8
209.13237	6.6
211.11186	3.8
211.14816	6.6
213.12714	8.2
213.16440	2.7
215.14349	2.4
221.13222	5.1
223.14781	4.0
225.12773	3.9
225.16412	2.4
227.14310	4.4
229.15961	2.4
231.13680	1.8
233.13293	1.7
235.14882	4.4
237.16409	3.0
239.14278	4.8
243.13770	1.6
249.16451	2.0
253.15831	4.8
257.15341	2.8
259.16956	3.0
267.17438	2.0
271.17041	2.9
305.22781	1.9
315.20966	1.6
323.23801	7.2
333.22025	9.8
341.24646	10.1
345.20264	1.6
351.23135	30.0
352.23380	2.1
359.25723	2.4
369.24216	49.4
370.24557	1.8
387.25293	19.9
407.25690	2.2
415.28732	1.7
425.26831	5.3
443.27936	100.0
444.28345	6.2
444.97156	2.0
459.78735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	12.9
55.01862	8.1
55.05515	24.3
57.03433	28.4
57.07046	4.0
61.02921	35.6
65.03937	4.4
67.05498	51.7
69.03426	42.2
69.07072	14.8
69.46156	27.8
70.98692	2.8
71.04990	19.7
73.02914	28.2
75.04459	5.8
79.05492	75.8
81.03412	21.6
81.07057	40.3
83.04986	31.6
83.08614	11.9
84.04478	9.8
84.08151	5.0
85.02905	64.5
87.04467	3.9
91.03965	18.2
91.04455	3.8
91.05479	76.7
93.06483	5.6
93.07042	100.0
95.04965	27.0
95.08601	30.7
97.02895	46.8
97.06524	6.4
98.21444	6.3
99.04446	8.7
101.02354	8.4
102.05547	3.7
103.03923	4.6
104.48418	3.0
105.04473	3.9
105.06391	4.2
105.07032	50.7
105.38715	2.9
107.04938	12.2
107.08590	27.2
109.02865	12.4
109.06509	11.5
109.10151	6.3
111.04433	14.8
111.08050	3.4
115.03934	11.3
115.05441	5.9
117.07011	19.5
119.04948	3.8
119.08570	48.8
121.06467	8.0
121.10139	37.7
123.04433	3.5
123.08047	8.6
127.03906	14.2
128.06226	8.9
129.05486	7.9
129.07024	26.3
130.05017	3.2
131.08536	18.0
133.06480	3.4
133.10124	15.9
135.08037	4.0
141.06966	6.0
143.08537	16.7
145.04916	4.0
145.06503	5.3
145.10117	17.7
147.04401	4.2
147.08063	14.6
147.11676	36.8
147.45358	3.1
149.09612	11.6
153.79810	3.1
155.08556	8.4
157.10143	8.1
159.08037	3.7
159.11714	5.3
161.09619	6.3
161.13269	8.4
162.07568	18.3
163.11197	3.0
165.09079	7.8
167.07053	4.0
167.08511	5.4
169.10126	6.3
171.11696	26.6
173.09656	4.0
177.05482	5.3
181.10202	3.5
185.09651	4.2
189.12689	15.6
207.13857	34.9
209.13142	3.4
255.17419	2.9
281.17499	38.5
305.37878	3.5
314.21063	8.7
351.23102	11.6
425.26709	4.2
443.18433	9.7
443.27997	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	443.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01864	9.3
55.05501	5.7
57.03423	6.1
57.07077	2.1
59.01156	2.0
60.04526	3.0
61.02914	1.9
64.95597	1.9
65.03925	3.1
67.05505	15.3
69.03423	8.3
69.07056	5.8
69.89220	3.8
69.89639	10.0
70.06555	3.1
71.04974	4.1
72.08157	2.9
73.02908	4.0
77.88958	2.0
79.05494	20.8
81.03407	7.8
81.07053	16.3
81.58726	1.9
83.04980	3.5
84.08134	3.5
85.02912	9.7
86.09692	6.0
91.05482	26.9
93.03422	2.5
93.07053	19.2
95.01344	8.3
95.04956	10.5
95.08601	7.2
97.02896	8.0
97.06516	3.2
98.21407	3.2
100.07597	2.1
103.05476	3.4
105.07011	18.1
107.04949	7.9
107.08578	7.2
109.02869	4.7
109.06553	3.8
109.10135	2.9
110.07169	2.5
111.04420	3.4
111.08105	3.1
112.54456	2.0
115.05439	5.0
117.07030	12.2
119.04938	4.4
119.08549	15.9
121.02891	3.8
121.06484	4.7
121.10150	10.4
123.04430	4.5
123.08050	3.5
125.02329	3.4
125.09573	2.3
127.03950	2.5
128.06200	3.9
129.07013	7.0
131.04918	5.4
131.08548	9.6
132.05600	2.6
133.02864	2.5
133.06473	5.7
133.10138	8.2
135.04433	5.7
135.08070	4.8
137.02347	2.4
137.06024	2.9
137.09645	4.5
141.01826	2.4
141.06967	4.7
142.07777	2.8
143.08568	7.1
145.02861	2.4
145.06462	8.7
145.10097	6.5
147.04411	7.4
147.08037	6.5
147.11693	4.8
149.02335	3.0
149.05994	3.2
149.09627	4.9
151.03957	5.4
153.06979	1.8
155.03329	2.2
155.08533	4.5
157.06474	5.7
157.10153	5.1
159.04405	3.4
159.08017	3.9
159.11659	2.9
161.02278	2.7
161.05991	6.7
161.09601	2.9
163.03873	5.8
163.11185	3.1
165.01855	5.1
165.05458	2.8
167.07144	3.7
167.08563	4.9
169.10138	6.7
169.54674	1.9
171.08034	3.3
171.11714	2.0
173.05995	4.2
173.09647	4.3
175.03920	5.8
175.07570	3.3
175.11292	3.5
177.05472	5.9
179.03452	2.4
179.08458	2.5
181.04837	2.8
185.06070	2.3
185.09532	3.1
187.03947	2.4
187.07472	3.5
187.11166	1.9
189.05447	8.8
193.05031	2.0
197.09596	2.0
199.11139	3.7
199.67073	2.1
213.12683	3.9
215.10753	3.5
217.04910	3.3
219.06587	2.3
221.04524	9.4
223.11037	3.8
227.07127	2.6
227.10646	3.8
231.10287	4.6
233.11766	8.4
235.05856	2.6
241.08594	2.6
241.12224	6.1
243.10060	3.5
245.11716	4.3
251.10619	3.6
255.10197	2.5
259.09595	2.8
259.13254	4.3
261.11392	2.3
269.11758	8.6
271.13293	3.0
277.10684	23.1
285.11319	2.8
286.04068	2.1
287.12769	15.7
297.11282	8.1
303.12305	4.5
305.13776	7.0
315.12216	24.8
333.13324	100.0
334.13538	2.9
351.14362	11.2
383.07489	2.5
407.16870	4.8
425.18094	19.6
443.18457	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	443.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.7
54.22106	2.5
55.01880	8.4
55.05518	11.8
57.03433	5.7
58.15962	2.6
58.53444	2.2
67.05502	20.8
69.03425	11.6
69.07083	4.9
70.06606	4.5
70.44623	7.3
71.04998	5.3
73.02924	3.5
79.05499	20.2
80.72831	2.6
81.03416	10.2
81.07063	26.6
83.04968	4.6
83.08624	4.5
84.04494	2.8
84.08143	5.3
85.02906	12.0
85.06564	2.8
86.63383	2.3
91.05485	25.0
93.03417	2.6
93.07049	21.0
95.01316	6.7
95.04965	15.5
95.08614	11.4
97.02917	6.4
97.06519	4.7
98.20913	4.0
99.08092	2.5
100.07633	4.8
103.05475	2.3
105.03416	3.3
105.07025	17.7
107.04951	9.4
107.08592	8.3
109.02878	6.8
109.06504	4.9
109.10130	4.5
111.04438	4.7
115.05464	7.8
117.07024	11.5
118.72775	2.6
119.04985	3.9
119.08592	13.0
121.02847	5.9
121.06517	4.9
121.10132	13.3
123.04439	8.6
123.08078	5.5
123.11770	2.7
125.09702	2.9
127.03912	2.5
128.06224	4.1
129.07016	10.9
131.04948	7.0
131.08556	13.2
133.06506	7.9
133.10130	8.9
135.04413	5.5
136.06197	4.0
136.46127	2.8
137.02350	3.0
141.06964	5.2
143.08585	4.9
145.02931	3.5
145.06474	6.8
145.10121	5.0
147.04446	5.2
147.08047	7.5
147.11697	4.5
149.02356	9.7
149.06003	2.8
149.09618	6.6
151.03925	8.7
151.07574	5.1
155.08600	4.9
157.06499	5.6
157.10149	5.3
159.04449	4.3
159.08049	5.1
159.11763	3.4
161.02391	3.1
161.05984	8.5
161.09605	5.1
162.07657	2.9
163.03931	7.8
165.05469	3.1
165.09213	4.2
167.07056	5.9
167.08524	3.4
169.10179	3.3
171.04341	2.7
171.08072	6.8
171.11745	2.9
173.06026	3.8
173.09575	2.9
175.03937	9.2
175.07478	4.6
175.11113	3.2
177.05487	7.9
179.08571	2.5
181.10204	3.0
183.11810	3.2
185.06100	2.7
185.09633	4.9
187.03854	2.6
187.07634	2.6
187.11220	4.9
187.14859	2.6
189.05458	9.1
189.09138	3.2
195.11797	3.1
199.11172	4.1
203.10640	6.0
205.12161	2.9
207.02800	2.6
213.09119	3.4
213.12695	3.5
215.10707	3.6
217.05038	3.7
221.04480	10.3
223.11166	5.3
231.10318	3.6
233.11769	6.4
237.13844	3.3
241.12257	7.3
243.10141	3.8
245.11797	3.4
251.10741	4.4
259.09674	5.9
259.13287	6.6
269.11832	5.8
277.10742	31.8
287.12973	12.5
289.14334	3.2
297.11212	9.9
303.12314	4.4
305.13834	5.0
315.12259	26.4
333.13303	100.0
339.12378	4.4
351.14407	8.4
425.18106	19.5
443.19003	9.5
443.28336	4.8
443.39154	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	443.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01868	11.1
55.05498	11.9
57.03425	4.3
63.26613	2.8
65.03928	2.9
65.09181	2.4
67.05506	15.9
69.03403	8.6
69.07055	4.9
70.06581	5.3
71.58122	4.0
73.02893	3.2
75.40847	2.4
79.05501	19.5
79.24229	2.6
81.03409	9.3
81.07058	18.5
83.01342	3.1
83.05003	3.6
83.08611	3.5
84.04505	3.2
84.08148	6.4
85.02892	5.7
86.09696	4.6
91.05474	24.5
93.03365	4.4
93.07042	20.2
95.01324	8.5
95.04961	12.2
95.08586	8.2
97.02874	9.3
97.06507	4.8
98.21336	2.4
105.07027	17.2
107.04942	11.0
107.08618	4.9
108.74718	2.5
109.02848	3.8
109.06499	5.5
109.10164	6.5
111.04397	3.4
115.05479	5.5
117.03433	3.2
117.07004	9.6
119.04899	4.4
119.08578	9.9
121.02888	2.6
121.06507	6.4
121.10158	7.8
123.04476	5.5
127.03861	3.4
129.07014	10.3
131.04927	6.0
131.08525	12.1
133.06482	11.4
133.10112	8.8
135.04434	7.4
135.08070	3.7
135.11720	3.5
137.05945	4.6
139.03905	3.2
140.30911	2.6
141.06975	5.6
142.07782	4.2
143.08565	4.9
145.02827	6.3
145.06483	7.2
145.10168	5.2
147.04384	8.7
147.08084	6.0
148.05174	2.7
149.02405	4.0
149.05977	4.9
149.09610	4.5
151.03908	8.8
155.08585	5.9
157.10147	6.3
159.04420	4.5
159.11685	3.9
161.05975	11.1
161.09586	3.7
163.03835	7.5
165.01759	4.1
165.05490	2.8
167.03401	7.7
167.07184	13.7
167.08469	5.4
169.10124	3.3
171.08067	2.9
173.05975	6.7
173.09628	6.1
174.05432	3.6
175.03886	9.1
175.07483	4.7
175.11168	4.9
176.08315	4.2
177.05518	13.9
181.04903	5.5
183.08113	3.7
185.06042	3.5
187.07532	6.5
187.11136	3.8
189.05426	7.2
192.09300	3.2
195.08003	3.0
197.09900	2.9
199.11070	2.9
200.13704	2.7
201.05457	3.7
203.07037	5.9
205.04874	3.3
207.06465	3.8
221.04373	8.2
223.11034	2.9
223.89397	2.8
225.09190	5.3
227.10646	3.7
233.11749	8.9
241.12186	6.1
251.10689	3.7
255.10242	3.9
259.09894	3.6
259.13092	4.7
261.11276	3.3
265.64383	2.8
269.11755	8.1
277.10703	29.2
287.12762	11.1
297.11102	7.7
302.20551	4.0
303.12241	4.5
305.13803	8.3
315.12305	25.4
333.13300	100.0
334.13483	4.1
351.14294	11.9
399.26398	6.9
407.16440	3.9
425.17923	18.2
443.18643	11.4
443.28699	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
55.01878	10.7
55.05505	14.0
57.03436	11.6
61.02916	9.2
64.72036	1.8
65.03933	4.0
67.05497	28.4
67.28636	2.2
69.03429	17.3
69.07059	6.2
69.53069	18.0
70.06584	5.3
71.04991	5.4
72.08128	2.2
73.02898	5.4
79.05495	40.5
81.03415	15.5
81.07045	30.7
83.01332	2.6
83.04974	8.7
83.08614	3.3
85.02891	17.5
91.03947	5.6
91.05470	37.6
93.03387	2.7
93.07040	37.2
95.01326	4.7
95.04943	19.8
95.08612	16.0
97.02896	16.3
97.06545	5.2
97.10162	2.6
98.09669	3.0
99.04454	2.9
101.02382	2.9
105.07024	28.1
107.04951	12.1
107.08585	12.2
109.02865	5.3
109.06497	4.7
109.10136	5.4
111.04414	4.0
115.05467	6.7
117.06990	13.4
119.04987	2.8
119.08580	15.0
121.02875	3.4
121.06485	5.6
121.10133	7.7
123.04423	4.8
123.08039	2.6
123.11690	3.4
127.03899	4.9
128.06178	3.3
129.06998	18.3
131.04901	4.3
131.08521	11.7
133.06483	8.5
133.10135	10.4
135.04393	4.3
135.08043	4.4
135.11668	3.8
137.05937	3.2
137.09521	2.9
139.03926	3.9
141.06966	3.9
143.08553	10.1
145.02808	2.7
145.06454	5.4
145.10135	10.9
147.04420	4.5
147.08012	6.2
147.11662	13.1
149.02328	5.3
149.05954	2.6
149.09624	4.0
151.03854	4.7
151.07597	2.3
151.11183	2.4
154.07722	2.4
155.08534	5.9
157.06529	4.5
157.10107	4.7
157.29430	2.5
159.04459	3.9
159.08020	5.0
159.11694	4.1
161.05995	6.7
161.09631	4.9
161.13234	4.3
163.03955	3.8
163.11067	2.7
165.05470	3.5
165.07201	2.8
165.08940	3.5
167.07014	18.1
167.08481	4.0
169.10199	5.4
171.08041	3.6
171.11687	11.2
173.06017	9.7
173.09544	5.2
173.13239	2.6
175.03896	8.6
177.05389	3.4
179.03430	2.3
179.08511	2.7
181.10118	3.6
183.08121	3.5
183.11693	5.0
185.13213	2.9
187.11092	2.7
189.05486	7.7
189.12735	2.3
191.03314	3.8
195.11765	2.9
197.09578	2.6
197.13310	2.6
199.07620	2.4
199.11238	4.4
201.05676	3.6
205.10112	2.5
205.12149	3.1
207.13803	6.3
213.09019	2.3
213.12733	4.5
215.10757	4.1
217.05034	3.7
219.06413	2.7
221.04453	11.3
225.09213	3.7
227.10713	3.3
228.16254	2.4
231.10185	2.7
233.11728	6.9
236.51062	2.3
241.12253	6.0
243.13741	2.3
247.75018	2.4
255.10019	2.5
259.13229	3.1
263.12958	2.3
269.11716	7.2
277.10587	15.4
279.10251	4.3
281.17426	15.3
287.12784	12.0
297.11285	8.5
305.13739	4.8
315.12256	23.9
333.13303	100.0
351.14450	7.7
407.17001	4.2
425.18008	25.7
443.18970	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	443.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03473	3.5
55.01857	0.6
55.04243	3.6
56.96548	0.6
66.07022	0.5
69.03417	2.0
70.06589	2.2
71.56916	0.7
72.04472	0.6
74.58196	0.5
80.05013	1.3
81.03464	0.6
81.04542	22.1
82.05320	8.7
84.08139	3.1
85.02895	3.0
92.59539	0.6
93.07072	0.6
97.02881	1.8
98.09679	1.3
100.07585	2.7
108.05581	1.3
110.07175	1.6
112.11232	0.7
114.03775	0.6
122.07152	100.0
123.07935	92.9
124.08276	0.7
127.03872	0.7
131.76950	0.7
137.06042	0.6
140.75800	0.5
144.04803	1.2
159.78984	0.6
160.04294	2.3
165.07736	3.4
169.13347	1.3
172.04257	1.3
194.62904	0.6
281.10672	64.2
282.11057	1.3
323.11877	1.0
430.85361	0.6
443.15967	67.0
443.39493	2.6
444.16086	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	16.8
59.37437	8.6
66.92108	6.9
69.03453	9.2
69.30383	11.9
69.30791	68.4
97.02897	24.3
98.97599	23.6
107.01343	6.7
116.98622	44.8
119.01949	11.6
121.01707	8.7
134.99641	46.5
138.05531	13.4
153.00688	11.6
177.00937	26.5
179.00790	9.2
219.01990	18.3
235.00061	12.9
251.41382	6.9
258.99780	36.8
260.00159	10.2
261.00433	11.0
261.03104	40.1
262.03168	8.8
263.03061	18.0
264.03345	8.9
274.97687	21.7
276.97580	29.9
277.00919	68.9
278.01233	9.0
279.00763	15.7
282.99963	34.9
284.99713	7.7
286.45538	8.7
291.06210	8.8
292.98843	16.5
298.97726	15.7
299.09796	48.6
300.09836	8.0
300.97644	16.3
301.00980	100.0
301.09607	34.0
302.01218	21.4
303.00830	27.4
304.60330	8.7
316.98853	37.7
318.98569	51.9
347.42261	9.0
373.20605	8.4
396.95374	10.1
401.01340	14.8
403.01016	10.1
418.98099	15.3
425.87668	8.5
435.44556	7.7
442.97791	15.5
443.02478	28.4
460.99658	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
57.03426	5.6
61.02916	6.2
63.98467	2.8
69.03426	19.7
69.07069	14.8
69.25333	32.7
70.06596	46.7
72.08149	11.2
73.02910	7.9
81.03391	8.2
84.04504	17.8
84.08126	13.7
85.02905	100.0
86.09691	9.2
91.03945	5.5
91.05448	4.9
95.01329	24.1
97.02879	31.0
99.04446	5.2
109.02862	11.2
110.07208	3.2
111.01906	3.6
111.09149	4.0
112.08743	3.5
113.02351	7.6
114.10340	4.6
115.81564	3.5
116.07098	5.7
119.04928	10.2
127.03928	36.9
129.02965	7.0
129.10287	7.3
130.04951	3.3
136.07564	3.8
139.03880	4.1
141.01826	67.5
145.02847	10.6
145.04948	59.7
147.04428	24.5
148.04747	12.2
149.04987	4.8
152.05714	5.7
159.02873	15.6
163.06049	19.9
177.04041	6.8
177.05496	16.7
189.00789	3.7
204.26456	3.1
212.37135	3.6
213.08765	5.1
221.88332	3.0
278.16873	3.5
323.82117	3.4
442.17322	5.6
442.22836	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	442.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
56.05029	0.3
65.03931	1.0
67.05486	0.5
69.03421	0.4
69.07072	0.4
70.06595	2.0
71.58336	0.5
72.08159	0.7
81.06989	0.3
84.04511	0.5
84.08135	0.9
85.02897	0.4
86.09686	0.9
91.05478	11.1
95.04974	0.5
96.04494	2.6
97.02879	0.4
114.05534	4.7
119.04942	24.5
120.08086	0.4
127.03925	0.5
129.10246	0.6
132.62512	0.3
136.06171	0.3
137.02361	0.4
147.04408	100.0
148.04758	1.3
157.85551	0.3
177.05495	0.8
179.03284	0.3
205.05064	0.6
258.07639	0.4
322.09097	1.6
329.06598	1.1
341.06564	2.2
424.10309	0.4
442.19058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3363
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03957	2.4
55.05515	23.4
57.07064	5.9
67.05490	5.6
69.03416	2.2
69.07068	21.9
70.27775	2.0
71.05019	2.0
71.08613	4.7
74.89513	1.9
75.88029	1.9
79.05489	5.1
81.07072	10.0
83.08617	41.7
85.02881	3.0
91.05489	3.9
92.48013	1.9
93.07046	12.9
95.08615	9.9
97.06557	2.4
97.10161	8.8
98.21525	5.0
105.07007	6.3
107.08590	8.9
109.06511	2.7
109.10156	8.6
112.15701	1.7
119.08582	6.9
121.06508	3.5
121.10154	5.6
123.08035	3.6
123.11676	2.6
131.08565	3.1
133.10168	4.0
135.08086	3.6
135.11720	3.3
143.08414	2.1
145.10129	3.3
147.08040	4.9
147.11581	2.3
149.13271	3.2
157.10170	3.3
159.08124	5.5
159.11702	3.6
161.09641	5.7
169.10112	2.5
171.07916	1.8
171.11667	2.2
175.07536	15.0
175.14850	3.1
185.13252	2.4
187.14886	2.3
192.39595	1.9
201.16502	2.1
211.39526	2.0
229.33073	3.1
235.16924	2.6
247.17029	2.1
261.18692	2.7
275.16409	10.9
276.17352	1.9
285.18503	6.5
301.17972	20.9
303.19556	3.2
315.23218	8.1
343.05554	2.0
393.34152	2.4
423.32156	2.3
441.33600	100.0
442.33826	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	442.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75502	0.5
57.25131	0.4
57.81541	0.5
65.03924	1.4
70.05251	1.3
70.05674	1.4
70.06586	1.8
70.12594	0.5
72.08167	0.8
84.08163	0.6
85.02921	0.5
86.09705	1.0
89.80684	0.5
91.05479	11.2
93.07073	0.6
95.04995	0.6
98.21413	0.7
114.05534	0.7
118.34956	0.5
119.04945	25.1
136.06178	0.8
147.04411	100.0
148.04744	1.4
155.96925	0.5
169.09802	0.5
174.94615	0.5
202.96158	0.5
339.46268	0.5
353.05115	0.5
407.09665	0.6
442.18127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34708	1.5
55.05506	12.8
56.46902	1.7
57.03432	3.5
57.07065	3.7
65.03955	1.5
66.38305	1.4
66.62001	1.5
67.05507	13.1
69.03436	2.1
69.07070	20.4
70.74521	5.1
71.04983	2.1
71.08635	12.6
79.05499	10.5
81.07053	21.2
83.04995	4.2
83.08614	10.8
85.02893	2.6
85.06551	3.5
91.05501	5.5
93.07034	15.2
95.08598	25.3
97.06521	3.9
97.10181	4.6
98.16081	1.6
99.08070	7.2
101.26775	1.5
105.07016	5.9
107.08607	16.5
109.06551	11.2
109.10155	12.5
111.08065	4.1
117.07038	2.6
119.08601	12.0
121.06488	2.2
121.10135	10.4
122.07274	1.9
123.08067	40.5
123.11697	3.7
125.06039	3.2
133.10114	10.8
135.08055	7.3
135.11687	4.2
137.09641	2.8
137.13242	1.9
145.10123	4.4
147.11621	3.7
149.09612	3.7
149.13213	4.2
153.12740	4.4
159.11691	5.0
161.13261	2.7
163.14803	1.8
164.59370	1.7
165.12692	2.0
175.14874	1.9
177.12732	3.3
179.14307	57.0
179.15820	3.6
181.15797	1.7
184.37289	1.7
189.16507	2.4
193.15915	3.0
251.20045	8.1
269.16885	1.9
293.20941	10.6
293.28339	4.7
303.26837	12.6
313.25229	2.4
321.27930	3.1
331.22287	3.5
331.26291	61.8
332.26572	2.2
349.27365	61.9
350.27841	2.3
405.30106	6.2
423.31055	100.0
424.31097	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	441.246
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
50.48948	0.4
55.01863	0.6
55.05502	0.9
57.03422	1.6
65.78284	0.4
67.05499	1.5
69.03423	1.7
69.07070	0.6
70.06571	0.7
70.87528	1.0
70.87870	0.4
71.01338	0.5
72.08134	0.8
73.02913	2.7
73.92732	0.4
74.03217	0.5
75.04456	0.9
79.05486	1.5
81.03419	1.0
81.07041	2.0
83.04990	0.7
84.04503	0.6
84.08141	0.9
85.02896	2.8
86.09721	1.2
91.05474	1.5
93.07036	2.1
95.04962	1.0
95.08595	1.0
97.02881	1.7
97.06506	0.4
98.97549	0.5
99.44762	0.5
105.07011	1.4
107.04974	0.5
107.08553	1.0
109.02835	0.4
109.06544	0.5
109.10147	0.7
111.04429	1.0
111.21371	0.4
115.03950	0.6
117.06996	0.4
119.08580	1.4
121.10139	1.0
127.03914	1.1
129.05414	0.5
129.06987	0.7
131.08545	0.5
133.10107	0.5
137.05968	0.5
141.01802	0.5
143.08571	0.5
145.06483	0.6
145.10103	0.6
147.04419	1.2
159.11671	0.9
162.07571	2.5
163.07922	1.2
165.09145	0.8
167.07007	0.8
193.08722	0.5
203.05290	5.3
210.14973	0.4
219.06520	0.4
235.64296	0.4
261.18179	2.0
279.19351	1.0
283.67236	0.5
309.13788	0.8
441.24576	100.0
442.24823	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	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01866	2.6
55.05499	4.9
56.70755	1.1
57.03428	2.5
57.07052	1.2
61.02921	2.2
65.03957	1.0
65.48288	1.0
67.05500	5.7
68.99776	1.7
69.03120	1.3
69.03429	11.1
69.07069	10.8
69.38615	2.6
69.39020	7.2
70.06586	3.5
71.04973	2.0
72.08149	2.1
73.02900	2.7
79.05492	4.9
81.03426	5.6
81.07040	6.4
83.08611	3.5
84.04481	1.7
84.08155	2.3
85.02905	18.3
85.06528	3.0
86.09680	2.3
87.00832	7.1
91.05477	9.2
93.07050	8.8
95.04957	3.0
95.08607	14.1
97.02895	11.2
97.06533	2.0
98.20760	2.0
99.04435	2.5
101.02387	1.8
105.01840	5.5
105.07037	13.4
107.04922	1.5
107.08604	13.9
109.02868	4.4
109.06519	1.8
109.10162	8.8
111.04448	1.8
111.08067	2.5
114.09205	1.1
115.03924	1.8
117.01825	1.2
119.08588	37.5
120.08887	1.4
121.06517	2.0
121.10140	21.5
122.31647	1.0
123.08077	2.2
123.11747	1.2
125.02341	2.2
127.03915	9.2
129.06989	1.7
131.08580	3.7
133.10129	32.0
135.08070	2.0
135.11674	4.5
136.06183	11.6
136.39072	1.1
137.04550	1.3
137.06628	1.3
137.09561	1.3
138.79449	1.1
143.03336	1.7
143.08505	1.8
145.04938	3.6
145.10112	7.2
147.02872	1.7
147.04369	3.5
147.11700	9.1
149.09586	1.5
149.13223	2.8
157.10121	1.8
159.02914	3.5
159.08066	2.3
159.11725	4.1
161.13333	5.2
162.07616	1.6
163.07631	1.1
173.13269	5.6
175.07581	1.1
175.14830	100.0
176.15146	1.6
177.16368	19.2
187.14760	5.7
189.04010	1.4
193.15910	5.8
199.14885	1.1
202.22415	1.1
205.15907	10.2
231.04903	2.6
233.15263	1.1
249.06035	1.7
283.16949	3.0
301.17923	1.4
405.18890	1.9
423.24353	4.5
441.16315	5.3
441.26038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02993	1.4
53.03944	2.8
55.05506	14.4
57.03438	21.1
59.04995	2.2
61.02912	2.1
67.05499	4.9
69.03078	2.6
69.03426	32.1
70.64877	4.6
71.01346	6.3
71.04989	75.8
73.02916	14.1
75.04481	11.5
79.05479	14.3
81.03414	3.0
81.07047	2.1
83.04980	46.6
85.02900	100.0
87.04461	4.7
87.78236	1.5
89.79809	1.4
91.05479	10.7
93.07038	49.2
95.04971	11.7
95.08597	6.0
97.02900	5.2
97.06549	2.3
98.03288	1.9
99.04443	5.2
101.06019	4.2
103.05461	1.8
105.07015	10.5
107.04954	2.0
107.08598	9.8
109.06509	3.8
111.04437	38.5
111.08082	2.6
113.05976	2.4
115.03964	2.2
119.08580	8.0
121.06493	4.7
121.10142	43.9
123.04459	1.8
123.08082	2.8
123.11787	2.0
125.05968	2.9
127.03864	2.1
129.05484	33.8
131.08580	4.9
133.06439	2.5
133.10179	2.4
135.08032	1.7
136.39796	1.4
137.05959	1.8
139.03787	1.9
139.07510	2.2
143.08510	2.1
145.10088	3.2
147.08028	2.5
147.11716	2.5
149.09621	21.5
151.07571	1.8
153.05386	1.6
157.05008	2.7
161.09694	3.6
162.07610	10.1
163.07887	5.0
167.02925	1.4
167.10674	5.8
171.06512	2.1
173.09688	1.7
185.09616	2.1
189.09091	2.3
191.10693	3.1
234.12500	1.8
259.07242	1.6
277.14252	2.8
291.12723	1.7
295.15387	13.2
308.13321	1.7
309.13623	2.1
441.21121	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.218
Annotation	Gymnastatin D
Peak:m/z	Relative Intensity
52.34361	0.4
55.01873	2.4
55.05503	1.4
56.05021	0.4
57.03437	6.3
60.04514	0.6
61.02919	1.3
67.05495	1.5
68.05013	0.5
69.03431	3.3
69.07056	1.4
69.50126	0.4
70.06581	1.2
70.29784	1.0
70.30137	0.5
71.01343	0.7
71.04989	1.8
72.04507	1.9
72.08147	0.6
73.02916	11.6
75.04476	4.0
79.05458	0.9
81.07046	0.9
82.06562	0.5
83.04982	4.0
84.04504	2.1
84.08147	2.9
85.02905	4.5
85.37441	0.4
87.50663	0.3
91.05454	1.7
93.07041	1.4
94.06552	0.5
95.04955	1.3
95.08591	0.9
96.09004	0.4
97.02892	5.0
97.06540	0.4
98.06064	0.4
99.04447	0.4
100.07613	0.5
102.18137	0.3
103.03959	0.4
105.07026	1.1
107.08609	1.0
108.04493	0.7
111.04442	4.1
112.07591	0.6
113.06010	1.0
115.03920	3.6
116.01913	0.4
119.04956	0.6
119.08578	1.4
121.10118	0.4
122.06070	0.5
126.05502	0.6
127.03940	0.7
128.07042	0.6
129.05464	3.2
130.08635	1.4
131.08534	0.5
133.05023	0.4
140.07091	2.4
144.06532	1.5
145.02921	0.5
145.10162	0.7
147.04413	1.2
147.06589	0.8
147.08035	0.5
148.07567	2.8
149.04420	0.4
154.08562	0.4
157.04941	0.6
162.07622	19.1
168.06541	2.7
174.05467	0.7
177.05453	0.6
198.09163	0.7
199.08641	3.7
204.08691	1.2
209.37465	0.4
212.09358	0.6
213.10213	1.0
214.10960	0.7
215.11758	0.7
220.97983	0.4
224.10713	0.6
225.07803	2.5
225.10123	2.8
226.08598	0.9
226.10646	0.6
227.08250	1.9
227.11827	1.7
238.08606	0.4
241.09712	0.8
242.10527	1.0
243.11299	1.4
247.85280	0.4
252.10175	0.6
255.11281	14.6
269.12872	3.8
272.11295	0.6
287.13797	0.5
290.12366	1.6
294.11783	1.4
297.12350	5.6
297.15359	0.6
308.13376	4.1
315.13373	100.0
316.13773	2.1
440.17648	2.6
440.22614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.9
55.05502	1.2
57.03433	6.7
60.04514	1.0
61.02914	1.8
67.05480	1.6
67.93340	0.5
69.03419	4.4
69.07053	1.6
70.04152	0.5
70.06586	1.0
71.01352	1.1
71.04969	1.4
71.58655	0.7
72.04502	1.9
72.08157	0.6
73.02503	0.7
73.02914	12.0
75.04478	4.8
79.05485	1.3
81.03396	1.4
81.07049	1.6
83.04979	3.9
84.04494	3.0
84.08157	0.8
85.02900	4.4
85.06528	1.2
85.23956	0.5
91.05455	2.3
93.07021	1.8
95.04952	1.6
95.08614	0.9
96.04496	0.7
97.02895	5.0
97.06492	0.8
98.06049	0.7
99.04431	0.6
99.08075	1.1
100.08383	0.5
103.03950	0.6
105.03345	0.5
105.07022	1.2
107.08596	0.7
109.02917	0.7
111.04424	4.4
112.07564	0.6
113.05997	0.7
115.03945	4.1
119.08550	1.5
121.10069	1.2
122.05967	0.6
122.10470	0.6
124.07596	0.9
126.05498	0.8
127.03909	1.0
129.05464	2.8
133.04979	1.0
136.06181	0.7
140.07048	3.4
144.04459	1.1
144.06601	0.8
146.06053	0.8
148.07539	4.8
160.69925	0.5
162.06265	1.1
162.07608	20.1
165.09019	0.9
168.06607	3.1
174.66722	0.5
175.11264	0.7
177.05412	0.9
198.09142	0.7
199.08647	3.0
204.08707	1.3
212.09497	0.8
213.10309	0.6
214.10976	0.9
215.11790	1.4
224.10623	0.7
225.07567	2.6
225.10223	3.6
226.08664	1.0
227.08231	1.6
227.11823	1.8
231.06422	0.7
237.15189	0.5
241.13397	0.6
242.10362	0.8
243.11276	1.4
252.10202	0.8
255.11267	14.8
256.11664	0.6
260.20807	0.9
269.12875	4.0
271.14294	1.0
272.11310	0.7
290.12234	1.7
294.11847	1.4
297.12292	5.5
308.13394	4.2
315.13358	100.0
316.13730	1.9
388.59924	0.6
440.17773	2.3
440.22690	2.0
441.17505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
55.05497	5.2
56.05035	1.6
57.03439	32.8
59.53223	0.9
60.04516	3.1
61.02929	6.8
67.05494	3.3
68.05043	0.8
69.03083	1.2
69.03433	18.4
70.06593	1.9
70.97768	1.1
70.98089	1.9
71.01344	3.5
71.04997	9.1
72.04520	8.4
73.02919	64.9
75.04483	23.1
79.05484	2.6
80.05022	0.9
81.03413	1.2
81.07079	1.4
82.88515	1.0
83.04982	18.6
84.04507	7.9
84.08121	2.3
85.02908	23.8
85.06552	1.5
87.04463	2.3
91.05487	2.2
93.07039	5.0
95.04967	3.4
95.08578	0.8
95.98739	1.1
96.04488	2.6
97.02897	23.6
98.06068	2.1
99.04431	2.5
101.05996	1.8
103.03930	2.6
105.07009	2.0
107.08571	1.8
109.06453	1.1
111.04442	20.9
113.06021	5.5
114.05518	2.0
115.03941	20.1
119.08604	1.3
119.43145	0.9
121.10139	3.6
125.85087	0.9
126.05494	3.9
127.03909	3.4
129.05478	19.0
131.07031	2.6
131.08574	1.0
133.04993	6.6
133.10156	1.4
137.65291	0.9
144.06587	5.2
145.10069	1.1
147.06512	3.5
147.08113	1.0
149.04465	2.3
149.09579	1.0
153.05508	1.3
162.07620	100.0
163.07918	1.3
167.95303	1.0
169.04987	1.6
174.07600	1.5
177.70718	1.0
181.04967	1.1
186.07620	1.8
204.08662	6.2
207.52426	1.1
225.07561	11.4
235.13153	1.0
243.08670	1.7
261.09879	1.1
272.11362	4.3
276.10800	1.8
290.12350	8.6
294.11813	5.6
295.11890	0.9
295.15161	1.2
308.13403	25.1
312.62140	0.9
336.12756	2.6
409.14798	1.8
440.17587	12.7
440.23065	2.0
441.16983	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.2
55.05500	4.4
55.05725	1.1
57.03436	37.6
60.04525	1.5
61.02929	6.7
64.90234	1.0
67.05493	2.4
69.03427	17.7
70.05721	6.7
70.06578	2.0
71.01341	2.4
71.04996	6.5
72.04520	8.2
73.02917	64.8
75.04480	27.3
81.03407	1.9
81.99834	1.0
82.67422	1.1
83.04978	16.8
84.04503	8.0
84.08133	1.6
84.87266	1.1
85.02901	23.0
85.06520	1.7
87.04461	1.9
91.05484	1.6
93.07030	2.9
95.04955	3.8
96.04479	2.9
97.02892	22.2
98.06056	1.3
99.04447	1.7
101.06004	1.4
103.03957	1.5
105.07030	2.5
105.16495	1.1
107.08562	1.3
111.04452	20.9
113.05994	5.8
115.03928	21.6
121.10153	4.0
126.05495	3.3
127.03875	3.9
129.05484	16.4
131.07025	2.5
133.04967	4.8
144.06593	5.6
145.05026	1.5
147.06519	3.6
149.04451	1.9
154.08569	1.9
162.07620	100.0
169.04984	2.7
185.26402	1.1
202.60089	1.1
204.08705	5.3
212.32913	1.4
225.07600	11.9
261.09631	2.5
266.51666	1.1
272.11237	2.8
290.12231	7.5
294.11823	5.7
297.26096	1.1
308.13382	21.8
422.16455	2.0
440.17599	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	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51747	5.3
55.05506	15.3
57.07089	5.4
63.53876	5.1
67.05506	31.4
68.70991	5.3
69.07054	22.5
70.10422	26.4
79.05482	14.4
81.07049	42.3
83.08612	7.5
89.06050	6.3
90.52214	5.0
91.05479	15.3
93.07032	30.9
95.08604	77.7
95.31551	4.9
97.06517	6.0
97.93425	4.9
98.21472	8.3
105.07028	26.4
107.08584	49.9
109.10165	46.8
119.08592	60.5
121.10152	45.5
121.51770	5.4
123.11703	9.6
133.10112	44.0
135.11670	25.4
137.13232	6.9
145.10135	13.9
147.11667	33.3
147.74319	4.9
149.09747	6.7
149.13289	16.8
159.11674	12.2
161.13225	16.1
163.14830	16.5
173.13219	7.8
173.56024	5.0
175.14774	19.6
177.16325	10.2
187.14857	6.3
189.16389	50.7
191.17934	57.8
201.16400	14.9
203.17958	100.0
205.15981	5.2
205.19566	17.6
215.17966	7.8
217.19467	10.2
221.19057	6.6
233.60095	5.7
235.16988	15.3
243.21611	5.6
247.17023	5.5
249.18571	15.3
275.05124	4.9
299.53351	5.8
301.61011	5.5
393.35385	10.2
407.04871	5.6
409.75137	6.3
439.35873	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.59191	2.7
55.05516	23.8
57.03428	7.1
57.07070	10.0
65.03892	3.2
65.76886	2.8
67.05510	31.2
69.03420	5.7
69.07071	27.1
70.49020	12.9
71.08620	6.4
79.05499	27.2
81.07061	52.9
83.04986	18.2
83.08627	17.9
84.08125	4.5
85.06521	5.4
91.05471	21.6
93.07042	55.5
95.04989	8.3
95.08606	70.0
97.06551	5.6
97.10146	8.0
99.08083	5.5
104.41856	3.2
105.07027	34.5
107.08592	59.4
109.06516	8.8
109.10150	50.8
111.04433	3.9
111.08063	8.4
117.06987	5.0
119.08600	38.4
121.06532	4.3
121.10150	71.1
123.08105	9.5
123.11706	24.9
125.09612	5.1
131.08560	11.5
133.10133	44.1
135.08090	9.1
135.11693	50.2
137.09616	10.8
137.13217	7.3
139.11157	7.5
143.08559	7.5
145.10162	16.6
147.04425	4.4
147.08081	3.2
147.11708	31.1
149.09630	65.1
149.13269	25.2
151.11214	8.1
153.12767	4.6
157.10110	8.7
159.11693	20.7
161.09634	13.5
161.13318	18.6
163.11148	16.8
163.14815	16.2
165.12776	25.6
171.11717	10.2
173.13261	14.8
175.11235	12.0
175.14821	13.3
175.16293	3.5
177.12798	5.6
177.16382	3.9
179.14182	3.4
181.12334	3.4
184.07338	8.6
185.13298	4.0
187.14861	12.0
189.12706	4.6
189.16455	18.7
191.14311	9.5
191.17944	80.5
193.15904	3.3
199.14801	6.1
201.16386	10.6
203.14352	3.3
203.17943	9.2
205.15834	4.1
213.16443	5.5
217.15887	10.7
217.19464	5.4
223.20584	10.1
227.17851	6.0
229.19461	5.9
231.17471	7.4
231.21082	8.8
257.17310	5.1
257.22641	22.8
269.22617	14.7
271.24261	9.2
279.19650	16.3
311.76813	2.9
329.39047	3.3
347.25800	11.6
353.23242	6.8
421.29242	7.1
421.34680	100.0
437.04288	3.4
439.30978	4.1
439.35858	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.3
55.05506	8.6
57.07076	11.7
60.89616	1.5
67.05505	12.8
69.03447	1.7
69.07072	9.6
71.04979	3.3
71.59236	3.1
79.05484	9.6
81.07063	19.8
83.05009	3.2
83.08620	5.5
84.08121	3.9
85.06554	8.7
91.05467	7.3
93.07038	10.0
95.04952	2.0
95.08614	12.3
97.06551	2.4
97.10165	2.1
98.09748	2.9
99.08120	1.7
100.07642	4.0
105.07021	8.1
107.08607	15.1
109.06506	10.5
109.10142	9.4
111.04434	3.7
111.08063	2.4
117.07031	2.5
119.08596	6.4
120.28316	1.6
121.10165	7.6
123.08096	8.2
123.11674	2.9
124.08903	2.0
125.05999	2.4
125.09621	2.3
129.46114	1.5
131.08583	3.2
133.10139	7.3
135.08061	9.4
135.11728	3.1
137.05992	12.1
145.10098	3.9
147.04495	2.0
147.08032	2.3
147.11717	5.0
149.09665	2.3
149.13263	3.6
151.07552	5.5
151.11145	3.1
152.08340	5.6
157.10104	1.7
159.11707	4.4
161.09586	2.9
161.13268	3.8
165.09111	7.8
165.12778	5.3
175.11172	1.9
177.09122	1.7
177.12773	4.9
179.10715	2.8
179.14307	3.1
181.12306	2.2
184.07318	3.3
189.12759	1.8
191.14246	2.3
193.12253	2.1
194.13029	3.3
195.13744	1.9
207.13860	6.4
263.20117	5.1
280.08380	1.8
305.24796	2.4
319.26227	12.7
329.24680	4.1
347.25803	82.7
348.26254	3.3
365.26816	17.1
384.05545	1.6
393.29480	2.1
411.31052	3.7
421.29465	21.3
439.30591	100.0
439.43430	3.3
440.30869	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	439.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
55.05306	1.1
55.05519	11.1
57.03431	3.1
57.07079	11.6
63.56347	0.9
67.05500	13.5
69.03442	1.4
69.07072	9.1
70.08807	3.4
70.09206	1.4
71.04979	1.7
71.08643	1.1
79.05503	7.7
81.03387	1.6
81.07055	21.3
83.04982	5.4
83.08620	5.3
85.06548	5.5
86.09676	1.5
91.05476	7.3
93.07040	11.9
95.04967	2.2
95.08614	12.5
97.06516	5.3
97.10184	2.6
98.09658	1.6
100.07594	1.9
105.07001	7.6
107.08600	14.0
109.06521	12.1
109.10153	8.2
111.04433	4.0
111.08081	2.6
117.07034	1.5
119.08558	8.1
121.06537	1.1
121.10136	8.3
123.08051	10.9
123.11697	2.2
124.08878	1.8
125.05994	4.5
125.09669	1.4
131.08595	2.4
133.10143	6.2
135.08040	9.8
135.11717	4.1
137.05980	17.8
137.09644	1.9
137.13226	1.0
145.10129	4.6
147.04456	1.7
147.11687	5.1
149.09634	2.9
149.13257	3.8
151.07535	6.7
151.11174	2.4
152.08316	6.5
157.10150	2.2
159.11719	3.3
161.09644	2.0
161.13257	2.4
162.07655	2.0
163.11200	1.5
163.14799	1.1
165.09117	10.1
165.12758	5.4
166.09792	1.5
171.11745	1.5
175.11157	1.6
177.09105	1.2
177.12775	4.2
179.10710	2.1
179.14285	2.0
184.07373	2.9
185.13231	1.3
191.14415	1.7
193.12222	2.4
194.13080	2.6
199.14757	1.0
207.13818	5.2
211.13348	1.3
233.19060	1.9
235.16812	1.2
249.18484	1.8
263.20108	4.2
277.21481	2.1
305.24738	3.3
319.26242	10.6
329.24905	2.3
337.27768	1.1
347.25806	85.6
348.26144	6.3
365.26871	16.7
393.30035	2.6
411.31201	5.2
421.29553	16.9
439.30603	100.0
439.43536	2.9
440.30942	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	439.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.0
55.01871	10.2
55.05511	41.9
57.03432	15.9
57.07075	5.4
64.45749	4.6
65.03930	4.8
67.05507	91.7
69.03436	40.2
69.07075	32.8
70.32626	4.1
71.04995	11.7
71.08615	9.0
71.57777	7.9
73.02923	25.8
75.04451	6.5
79.05493	74.3
81.03408	25.0
81.07056	89.6
83.04974	23.6
83.08611	18.3
83.85204	4.5
84.08141	8.0
85.02905	48.6
85.06544	10.5
87.04443	5.8
88.53903	4.4
91.05488	88.1
92.05832	6.9
93.03408	5.1
93.07045	100.0
95.04956	19.6
95.08611	59.5
97.02880	22.7
97.06527	8.5
97.10175	10.5
98.09678	5.7
99.04455	9.1
99.08086	6.3
100.07614	6.3
103.05413	5.6
105.07031	93.3
107.08584	58.7
109.02918	10.8
109.06493	8.0
109.10164	36.7
111.04446	20.6
111.08088	6.7
113.06049	6.3
115.03921	8.4
117.07005	25.2
119.04933	4.9
119.08574	78.8
121.06496	6.6
121.09343	6.6
121.10150	58.0
123.11729	10.1
125.09608	10.4
127.03905	14.0
127.11142	5.7
129.05525	11.0
129.07004	13.4
131.08594	37.9
133.10138	59.7
135.08095	11.0
135.11665	35.4
142.07761	7.5
143.08562	18.4
145.10103	33.9
147.04382	11.0
147.08025	5.6
147.11685	60.1
149.02322	12.1
149.09671	11.3
149.13278	21.9
155.08542	11.6
156.09395	5.6
157.10153	19.6
159.11626	35.5
161.09644	6.9
161.13286	26.8
162.07645	33.9
167.08615	5.3
169.10094	7.3
171.11691	21.1
173.00464	4.8
173.13257	18.0
175.14806	12.5
179.14381	5.9
183.11623	11.0
185.13252	12.8
187.14848	8.4
188.46889	5.1
193.05016	20.2
193.12299	6.3
194.05276	15.4
195.11646	8.1
199.14784	5.9
201.16353	5.5
203.17923	9.4
211.15038	6.6
217.15521	5.1
218.20917	4.9
241.19553	17.8
257.18994	10.8
259.20621	55.3
265.14026	4.7
270.06293	6.2
275.20190	6.5
277.21783	9.7
291.19424	6.8
301.21570	9.2
322.32330	5.7
343.45920	4.7
343.50644	5.0
347.38336	5.0
367.22763	10.9
383.41479	5.6
385.23837	22.0
403.25021	26.1
421.25369	30.1
439.21625	8.7
439.27158	17.7
439.35648	11.0
439.43427	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	439.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.0
55.01871	10.2
55.05511	41.9
57.03432	15.9
57.07075	5.4
64.45749	4.6
65.03930	4.8
67.05507	91.7
69.03436	40.2
69.07075	32.8
70.32626	4.1
71.04995	11.7
71.08615	9.0
71.57777	7.9
73.02923	25.8
75.04451	6.5
79.05493	74.3
81.03408	25.0
81.07056	89.6
83.04974	23.6
83.08611	18.3
83.85204	4.5
84.08141	8.0
85.02905	48.6
85.06544	10.5
87.04443	5.8
88.53903	4.4
91.05488	88.1
92.05832	6.9
93.03408	5.1
93.07045	100.0
95.04956	19.6
95.08611	59.5
97.02880	22.7
97.06527	8.5
97.10175	10.5
98.09678	5.7
99.04455	9.1
99.08086	6.3
100.07614	6.3
103.05413	5.6
105.07031	93.3
107.08584	58.7
109.02918	10.8
109.06493	8.0
109.10164	36.7
111.04446	20.6
111.08088	6.7
113.06049	6.3
115.03921	8.4
117.07005	25.2
119.04933	4.9
119.08574	78.8
121.06496	6.6
121.09343	6.6
121.10150	58.0
123.11729	10.1
125.09608	10.4
127.03905	14.0
127.11142	5.7
129.05525	11.0
129.07004	13.4
131.08594	37.9
133.10138	59.7
135.08095	11.0
135.11665	35.4
142.07761	7.5
143.08562	18.4
145.10103	33.9
147.04382	11.0
147.08025	5.6
147.11685	60.1
149.02322	12.1
149.09671	11.3
149.13278	21.9
155.08542	11.6
156.09395	5.6
157.10153	19.6
159.11626	35.5
161.09644	6.9
161.13286	26.8
162.07645	33.9
167.08615	5.3
169.10094	7.3
171.11691	21.1
173.00464	4.8
173.13257	18.0
175.14806	12.5
179.14381	5.9
183.11623	11.0
185.13252	12.8
187.14848	8.4
188.46889	5.1
193.05016	20.2
193.12299	6.3
194.05276	15.4
195.11646	8.1
199.14784	5.9
201.16353	5.5
203.17923	9.4
211.15038	6.6
217.15521	5.1
218.20917	4.9
241.19553	17.8
257.18994	10.8
259.20621	55.3
265.14026	4.7
270.06293	6.2
275.20190	6.5
277.21783	9.7
291.19424	6.8
301.21570	9.2
322.32330	5.7
343.45920	4.7
343.50644	5.0
347.38336	5.0
367.22763	10.9
383.41479	5.6
385.23837	22.0
403.25021	26.1
421.25369	30.1
439.21625	8.7
439.27158	17.7
439.35648	11.0
439.43427	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	439.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45832	2.4
53.03941	5.1
54.48537	2.8
55.01868	5.9
55.05508	27.9
57.03433	7.3
57.07067	12.4
61.02911	2.6
66.59766	3.0
67.05508	90.2
69.03424	8.4
69.07072	36.0
70.64448	7.1
70.64852	5.0
71.01328	4.0
71.04997	6.4
71.08621	12.2
79.05494	40.3
81.07063	100.0
83.04977	7.9
83.08624	21.1
85.02911	17.8
85.06547	8.7
90.53703	2.6
91.05490	30.0
93.07050	49.6
95.01312	12.1
95.04966	9.9
95.08612	81.1
97.02930	13.1
97.06526	6.0
97.10158	7.8
99.04449	3.9
99.08087	10.1
105.07032	24.7
107.04947	3.8
107.08603	29.0
109.06548	6.3
109.10158	35.4
111.04453	4.7
111.08095	6.0
111.11720	3.6
113.09635	5.1
117.07024	9.0
119.08575	25.0
121.06528	4.2
121.10143	28.4
123.08052	5.4
123.11729	18.9
125.02367	5.3
125.09635	5.2
129.07010	5.0
131.08548	15.7
133.10114	23.5
135.08055	5.5
135.11723	15.9
137.09601	6.9
137.13275	9.3
141.01851	12.2
143.08563	6.4
145.10138	11.2
147.04376	5.2
147.11694	17.2
149.09627	3.3
149.13245	12.2
151.11148	4.4
157.10081	5.3
159.11716	8.4
161.13297	11.0
163.11201	3.5
163.14774	4.7
165.09161	2.9
165.12752	8.6
167.08630	3.3
171.11694	3.2
173.13213	4.9
175.14841	7.2
177.16243	3.3
179.14320	5.4
183.13832	10.8
184.07349	4.1
185.09677	2.6
187.14859	6.2
189.16319	4.5
195.13881	4.1
201.16481	5.0
203.14267	3.8
203.18019	3.5
211.24092	3.2
219.13821	3.1
225.18417	6.4
241.18297	2.9
245.22804	3.1
257.17548	24.2
263.23624	13.1
287.22983	3.6
291.23245	8.8
324.00314	2.9
329.24631	5.2
333.24350	4.2
347.25739	20.1
349.16809	5.1
357.24091	4.9
367.18024	4.9
367.22443	3.1
385.23627	4.7
403.24805	5.8
430.97958	3.1
439.30756	7.3
439.35855	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	439.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.6
57.03414	0.7
60.04527	2.9
60.05627	0.7
63.51213	0.5
69.03411	2.2
69.66652	4.1
72.08154	6.8
75.55447	0.6
78.36146	0.7
81.03434	0.6
84.04504	1.4
85.02916	3.2
85.04016	1.4
89.10771	1.1
91.05475	3.8
97.02885	4.3
97.07629	1.3
98.06038	1.4
100.74721	0.5
109.02898	0.9
110.14464	0.5
114.10294	16.6
115.08688	4.9
119.04935	12.7
127.03862	1.0
131.12990	0.8
138.10321	0.6
139.08653	0.8
144.06494	2.7
145.04918	0.7
147.04405	100.0
148.04732	1.0
149.35884	0.5
155.12952	0.9
156.11293	1.2
162.07611	1.9
180.08598	0.6
197.13968	1.0
198.12247	0.6
205.08035	0.7
210.95241	0.6
217.13345	6.7
218.11780	7.2
235.14371	4.3
260.11276	0.7
260.13977	10.9
261.12280	1.2
277.16565	17.0
288.12772	0.7
301.16568	1.9
302.15027	2.5
319.17621	3.3
343.17697	2.7
344.16144	2.0
367.17682	0.9
403.19778	2.8
404.18106	1.1
407.81049	0.7
421.20703	1.4
422.19281	1.6
422.58047	0.7
439.21878	79.4
440.22226	5.6
453.72382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04530	2.7
60.05651	1.9
61.02902	0.5
69.03441	2.1
70.87250	1.2
72.07754	0.6
72.08157	10.8
81.03419	0.8
84.04509	0.9
84.05636	0.7
84.60503	0.4
85.02910	4.3
85.04021	0.8
89.10812	2.1
91.05480	4.0
96.04475	0.6
97.02882	4.5
97.07671	1.9
98.06045	1.4
99.04435	0.4
109.02914	0.8
114.10292	22.4
115.03915	0.5
115.08686	3.4
118.68681	0.4
119.04941	13.4
126.05552	0.7
127.03918	1.3
131.12949	2.4
138.10234	1.3
139.08720	0.7
144.06561	3.4
147.04407	100.0
148.04753	2.0
155.12888	1.5
156.11253	2.0
157.10841	0.5
162.07590	2.5
173.14215	0.4
180.08698	0.8
197.13831	0.4
217.13362	6.4
218.11729	5.1
235.14508	3.2
239.91640	0.4
240.13376	0.5
257.16046	0.8
260.13947	8.8
277.16599	14.4
277.19540	0.9
301.16608	1.6
302.15012	1.5
319.17706	2.5
343.17670	1.5
344.16040	1.4
349.18710	0.6
403.19641	1.9
420.48230	0.5
421.20724	0.6
422.18967	0.6
439.21878	61.3
440.22110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04535	2.8
60.05639	1.2
65.67827	0.5
69.03402	1.7
69.51532	2.3
69.51959	3.1
72.04504	0.8
72.08157	8.7
84.04446	0.7
85.02906	4.3
85.04011	1.0
86.08526	0.6
89.10797	1.5
91.05469	4.0
95.15598	0.6
96.04485	1.0
97.02888	3.5
97.07634	1.8
98.06015	1.3
98.20816	1.3
99.58008	0.8
114.10289	20.0
115.03967	0.9
115.08684	3.9
119.04938	14.4
127.03926	1.1
131.12877	1.3
138.10295	0.7
139.08691	1.1
144.06578	2.8
145.04904	0.9
147.04405	100.0
148.04741	2.1
155.12965	0.8
156.11299	1.5
162.07597	1.9
217.13364	6.3
218.11723	4.8
235.14436	3.3
257.15952	0.8
258.14560	0.6
260.13968	10.6
277.16574	15.0
299.06277	0.6
301.16360	1.3
302.14975	1.7
319.17654	2.6
343.17618	2.0
344.16235	1.6
349.18506	1.0
367.17706	0.7
403.19736	2.3
404.17725	0.7
419.75558	0.7
421.20605	0.8
422.19202	1.0
439.21884	66.5
440.22296	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75490	0.2
53.03929	0.4
55.05498	0.8
61.80170	0.2
67.05494	1.1
67.11932	0.3
69.03418	0.3
69.07068	0.5
70.98075	0.6
79.05495	0.9
81.03416	8.3
81.07063	1.1
83.04978	0.6
83.08618	2.4
87.09352	0.2
91.05472	1.4
93.07041	0.7
94.03967	0.3
95.04972	2.4
95.08599	0.5
97.02867	0.3
98.21288	0.3
105.07024	1.1
107.04951	0.5
107.08611	0.5
109.39961	0.2
111.04485	0.2
111.08069	0.8
119.03536	0.8
119.08596	1.3
121.10173	0.6
129.07034	1.2
131.08577	0.7
131.83855	0.2
133.10143	0.3
136.06184	100.0
137.04590	0.9
137.06609	0.5
142.07780	0.3
147.08008	0.4
147.11664	0.7
152.05644	0.8
157.10094	1.2
175.11205	1.2
193.12231	5.4
211.13275	0.5
252.24707	0.2
267.15924	2.7
285.16937	0.8
304.05319	0.4
306.05753	0.7
336.54398	0.2
346.18875	0.3
359.01642	0.2
414.07870	0.2
420.22440	2.4
438.23456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.3
55.05511	5.4
57.03425	5.0
58.99588	4.0
60.04522	4.3
60.05637	3.7
61.02935	6.5
67.05507	10.2
69.03423	12.3
69.51453	27.7
70.06602	10.5
71.01366	7.3
71.04996	6.4
72.08164	12.1
73.02918	10.3
74.00665	4.4
76.02208	7.0
79.05485	19.5
81.03400	11.7
81.07059	17.4
83.04967	7.3
84.04504	16.2
84.08147	5.0
85.02908	14.4
86.99043	4.0
88.02213	4.5
88.03987	50.9
91.05481	32.5
93.07045	55.3
93.79169	3.0
95.04959	12.2
95.08603	20.8
97.02897	21.5
97.04032	3.0
97.06511	7.8
99.02705	3.5
99.04417	3.7
105.07030	33.2
107.04952	9.9
107.08601	24.1
109.06499	4.1
109.10174	6.9
110.07152	4.0
111.02720	3.2
111.04451	11.9
111.08105	3.3
113.05982	6.2
114.10308	14.9
115.03934	6.7
117.07037	11.5
119.04916	20.0
119.08575	22.6
120.08107	7.8
121.06518	6.5
121.10143	19.5
123.04434	8.5
125.04222	6.0
127.03870	3.5
127.05810	8.6
127.96148	3.1
128.06186	4.9
129.05470	10.5
129.07008	8.8
129.10286	4.6
130.04976	6.5
130.07779	4.1
131.04582	4.0
131.08589	22.1
132.57982	3.3
133.06485	6.7
133.10097	20.1
135.08081	9.0
135.11757	7.0
137.09634	3.9
139.03891	5.5
141.05424	3.7
142.07777	5.9
143.08540	14.4
145.10127	34.9
147.04407	84.8
147.08112	6.3
147.11685	8.7
149.05975	4.0
149.09612	5.6
151.05757	17.3
151.07573	6.9
155.08499	3.2
155.12923	3.6
157.10109	15.1
159.11671	4.9
161.09634	10.8
162.02168	6.5
163.11151	8.5
165.09137	3.2
171.11662	6.9
173.09581	6.1
175.11192	7.3
177.03265	16.1
177.09111	8.0
181.10062	3.6
187.11189	5.1
189.03349	5.6
191.10669	5.2
199.11200	12.4
205.12408	3.8
206.08432	5.5
211.08817	4.4
215.03683	4.9
217.12054	6.3
227.10616	7.9
233.11722	8.0
234.67560	3.6
235.13370	10.0
240.09229	4.2
245.11760	8.0
253.14371	13.6
259.85422	3.2
260.13895	4.3
262.16425	4.0
263.12717	5.5
277.16574	15.1
281.13809	28.3
284.29807	3.1
291.10114	4.1
299.10574	3.5
299.15143	4.1
315.12625	8.4
333.13727	9.8
374.16397	12.1
420.16916	100.0
438.19901	4.9
439.21939	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
53.60561	1.7
55.01854	4.3
55.05481	1.9
58.56246	1.6
61.02912	1.9
66.57474	1.7
67.05496	3.5
69.03433	11.8
69.25590	16.2
69.26010	5.6
70.06579	5.4
71.01324	2.7
71.04979	2.8
79.05474	8.1
80.05016	4.1
81.03403	6.0
81.07040	4.4
83.04977	1.7
84.08118	3.5
85.02904	7.6
91.05476	45.0
93.06562	2.3
93.07043	28.4
95.04951	8.7
95.08603	4.4
96.04513	2.7
97.02888	34.6
97.06496	2.3
103.05441	2.9
105.07036	5.9
107.04960	2.5
107.08622	3.0
109.06479	2.2
109.10107	2.5
111.04430	3.7
115.03900	2.2
115.05456	2.7
117.03426	2.7
117.07009	11.4
119.04974	1.9
119.08578	88.8
120.08887	2.4
121.06490	6.1
121.10094	2.6
124.03950	100.0
129.06984	6.4
131.08604	2.9
135.08052	5.2
136.06186	41.4
137.09592	5.5
139.20186	1.9
145.02815	5.8
146.03177	4.2
147.04378	6.1
147.08049	50.5
163.03941	5.6
165.09122	15.7
177.03267	2.2
177.05444	10.7
178.05835	6.6
191.05206	3.4
193.12242	4.8
200.05705	2.7
211.51443	1.8
213.09171	2.6
231.10170	10.0
249.11255	3.2
254.06857	2.5
263.07275	20.7
263.57419	3.0
265.04929	3.2
279.12164	2.1
297.13327	35.0
361.35605	2.3
371.20239	2.1
438.21805	4.1
439.00388	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
53.03962	4.6
55.01878	2.2
55.05494	2.6
57.03441	2.0
57.62032	0.8
60.04529	1.1
67.05503	2.5
69.03425	12.5
69.07072	1.1
70.06588	8.0
71.04982	2.5
71.58237	1.5
72.08169	4.5
72.51354	0.9
73.02915	0.9
78.03459	18.7
79.01883	1.2
79.05505	1.4
80.05013	2.5
81.03419	29.1
81.07066	2.0
83.05016	1.5
83.06125	1.0
83.08617	1.0
84.04517	1.1
84.08148	4.7
85.02912	9.1
86.09702	4.8
86.69941	0.9
87.04507	0.9
87.82265	0.9
88.66618	0.9
91.05495	1.5
93.07063	2.2
95.04977	3.2
96.04488	6.5
97.02896	8.9
99.04458	3.8
101.51143	0.9
102.38380	1.0
104.07593	0.8
105.00063	1.2
105.07046	1.4
106.02914	70.0
109.02878	18.1
110.07126	1.4
111.04553	2.1
117.03373	1.7
119.08578	1.6
120.08098	1.7
123.08061	0.9
124.03955	100.0
127.03908	9.7
129.10228	2.3
129.37283	1.1
130.60143	0.9
131.08571	1.2
135.65892	0.9
136.06189	37.3
137.06003	1.0
144.04442	1.6
145.02873	4.1
145.04974	1.3
145.10194	1.0
146.03278	0.9
147.04436	4.7
153.01855	10.3
153.03053	1.4
167.07059	1.3
171.15036	1.0
175.11296	0.9
177.05490	4.0
178.05995	1.7
181.05060	1.3
189.57458	0.8
193.12265	2.2
250.07103	36.7
268.08160	38.4
361.36124	0.9
378.13815	1.0
420.09354	5.9
420.22812	1.8
438.10648	3.4
438.23355	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	438.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.1
55.05493	2.2
56.05024	10.4
57.03429	4.1
58.99573	12.9
59.07197	2.0
61.01138	4.6
62.45049	1.9
65.03929	2.0
66.27851	2.4
67.05490	2.3
68.05025	3.0
69.07090	2.5
69.86697	12.9
70.02946	5.2
70.06583	8.2
71.05030	2.1
72.04491	6.1
72.08162	2.3
73.02914	3.8
74.00655	9.4
76.02224	21.8
76.03992	6.1
80.05009	4.5
82.06577	5.9
83.06085	7.7
84.04504	76.3
84.08115	8.1
85.01131	29.9
85.02898	11.0
85.03999	3.6
86.00652	33.7
86.09695	6.2
86.98529	3.7
86.99052	52.6
88.02219	4.9
91.05478	3.4
95.04963	3.8
97.01112	6.9
97.02879	2.7
97.06533	17.9
98.06053	2.6
99.05544	4.0
100.02186	3.3
102.03769	18.6
102.05574	11.9
108.04469	3.9
109.07603	5.9
112.02184	25.8
113.05994	3.4
114.03739	15.2
114.05534	3.7
114.10287	4.6
115.02219	2.1
116.01678	23.6
117.03677	2.3
119.04921	3.1
120.08100	4.7
126.03759	2.7
127.02110	3.9
129.06599	3.5
129.10242	3.6
130.03215	13.0
130.04985	26.0
132.01128	2.5
133.38234	2.1
137.08350	3.6
140.01579	3.4
141.01854	4.4
142.03198	19.7
142.06827	2.4
143.02716	27.2
144.01212	4.8
145.06071	3.1
147.04391	22.3
152.01659	3.3
153.06554	3.1
155.08144	5.6
156.06575	2.5
157.45963	2.0
158.02666	4.9
159.01060	2.7
162.02216	12.6
168.04811	3.3
169.04311	7.5
170.02690	6.3
170.06342	6.2
171.02235	3.5
172.07791	2.6
177.03348	4.7
179.04849	8.6
188.03772	100.0
188.07220	4.4
189.03281	74.1
190.24265	2.1
196.04279	7.7
198.50046	2.6
205.06433	4.9
206.08499	3.0
215.04848	34.6
217.06396	11.2
224.03764	4.9
233.05870	5.8
244.06319	6.2
257.09793	4.1
258.09802	2.8
262.07446	45.7
263.07614	2.3
277.16565	2.9
287.06949	13.9
291.10062	24.9
345.07587	2.3
362.10077	2.7
420.14532	2.3
438.20792	2.3
439.22144	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	437.3413
Annotation	Alertenone
Peak:m/z	Relative Intensity
50.82890	2.5
53.03927	4.1
55.01867	2.3
55.05502	14.2
57.03432	3.1
57.07050	4.8
67.05506	27.4
69.03427	5.4
69.07061	16.6
71.58235	3.9
79.05481	18.1
81.03437	3.7
81.07054	33.1
83.04980	8.5
83.08606	7.6
91.05469	20.9
93.07037	34.9
94.07355	2.3
95.04974	5.4
95.08603	35.9
97.06547	4.1
97.10149	3.5
99.08088	2.9
103.05391	2.1
105.07025	35.7
107.04923	2.4
107.08584	37.8
109.06539	6.9
109.10167	24.8
111.08059	5.0
117.07017	4.7
119.08581	43.0
121.06496	5.9
121.10147	42.0
123.08051	9.2
123.11697	14.2
128.06175	2.1
129.07016	2.8
131.08609	10.3
133.10133	43.2
135.08040	19.0
135.11720	20.2
137.09608	8.5
139.11151	3.2
143.08528	3.8
144.09360	3.4
145.10141	21.7
147.08055	4.8
147.11679	18.2
149.08401	4.5
149.09613	92.0
149.13264	9.7
150.09929	3.0
150.58905	2.6
151.11177	7.5
157.10121	10.2
159.11682	24.3
161.09641	14.1
161.13281	11.6
163.11139	22.6
163.14818	11.5
165.12778	14.7
169.10089	3.9
171.11673	4.3
173.02249	2.4
173.13254	12.6
175.11209	8.5
175.14799	12.9
177.04245	3.0
177.12726	10.9
185.13254	3.8
187.11188	2.9
187.14821	16.7
189.12772	6.6
189.16356	15.5
191.14291	15.2
197.13271	3.2
199.14804	7.3
201.16420	5.9
203.14250	3.5
203.17975	3.1
205.15843	16.9
207.17439	3.0
213.16380	7.2
215.14476	2.8
215.17989	4.1
217.15868	19.8
219.17465	6.9
227.17932	7.3
229.19521	3.3
231.17455	14.7
239.17926	3.2
245.19080	5.1
255.21069	2.9
269.22610	3.0
275.20074	5.7
285.22031	4.1
307.48804	2.5
312.12436	2.3
395.33044	8.4
419.33176	24.7
437.34161	100.0
438.34384	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	437.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
53.65918	0.3
55.01874	0.4
55.05505	2.2
55.49884	0.4
63.02369	0.6
63.45021	0.3
65.03926	2.6
66.47443	0.3
67.05501	6.2
68.99772	1.1
69.03429	2.3
70.06577	0.5
70.70988	0.9
72.08140	0.6
81.03379	0.4
83.04983	9.8
84.04532	0.3
85.02898	1.0
86.09718	0.6
87.00816	2.3
89.03911	9.2
91.05477	1.1
93.03396	2.3
95.04963	13.7
96.06647	0.3
97.02924	0.4
98.21333	0.4
103.05434	0.5
105.01833	1.0
106.04178	0.6
111.03709	0.7
111.04445	11.9
114.64402	0.3
117.03377	28.0
119.04948	0.5
120.08080	0.5
121.02864	1.3
121.25195	0.5
129.05504	0.6
129.10193	0.4
130.05006	0.5
134.03651	1.8
135.04411	2.5
136.06160	0.9
137.05930	0.5
139.03894	9.1
145.02840	62.5
146.03143	0.7
147.04393	0.6
148.07573	1.0
149.05974	8.6
152.05670	0.7
157.04941	1.1
163.03876	0.8
177.05466	100.0
178.05817	1.4
181.04927	0.4
186.05481	1.1
195.06534	1.2
199.05978	0.4
225.03963	0.6
243.04976	14.7
244.05309	0.4
248.16473	0.6
280.96838	0.4
305.10104	2.5
333.09686	6.9
390.21820	0.4
393.12119	0.9
408.89502	0.4
437.10764	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.3
55.05508	4.8
56.12071	2.9
65.47930	2.9
66.72383	2.7
67.05494	9.7
69.03415	5.8
69.07042	3.5
69.46168	3.0
69.85025	14.9
70.06599	3.9
79.05495	8.9
81.03399	3.8
81.07059	14.8
82.75697	2.3
83.04964	2.9
84.08129	3.8
85.02883	4.9
88.03986	6.2
91.05470	11.3
92.96627	3.0
93.07035	10.7
95.04981	3.9
95.08607	8.3
97.02921	3.1
100.07611	3.8
103.05506	4.2
105.07030	13.4
107.04961	6.0
107.08601	7.0
108.68282	2.4
109.06584	4.4
109.10167	7.5
111.04433	3.6
117.07010	6.2
119.08602	8.2
121.10149	8.8
123.04436	4.6
129.07019	5.5
131.08578	7.7
133.06485	2.7
133.10136	6.7
135.11670	5.3
143.08525	4.7
145.06458	4.5
145.10150	8.2
146.10446	2.9
151.03923	4.0
159.11664	6.3
169.10179	2.8
177.05429	5.9
189.05563	3.8
189.16299	5.3
217.04889	4.9
220.17017	3.1
221.04401	5.0
231.13899	4.1
233.11687	6.1
267.82224	3.2
287.12894	6.1
304.05359	6.7
305.13904	3.6
315.12238	11.3
333.09460	5.6
333.13324	100.0
333.17294	5.2
334.13562	7.1
351.14310	21.9
421.27390	2.9
432.10770	3.2
436.00354	3.4
436.32959	12.8
437.21823	3.5
453.00208	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.9
55.05505	7.3
60.70213	1.4
67.05504	9.1
69.03415	2.7
69.07066	3.3
70.06587	2.0
70.69314	1.6
70.83272	3.7
70.83616	1.6
71.04980	1.9
72.08176	2.0
79.05504	8.8
81.03416	5.0
81.07053	9.7
83.04975	2.8
83.08638	2.4
84.08140	3.9
85.02892	2.3
87.36821	1.4
88.14529	1.6
91.05470	10.8
93.07030	10.0
95.01417	1.6
95.04964	3.8
95.08601	6.9
95.80493	1.6
97.02910	2.3
99.04504	2.1
100.07606	3.5
105.07029	8.7
105.07660	2.1
107.04955	3.5
107.08586	4.2
109.02872	2.6
109.10142	4.4
111.04396	2.0
117.07023	5.5
119.08574	6.6
121.06461	3.5
121.10157	5.1
123.08120	1.7
123.11702	1.7
129.07005	4.5
129.45309	1.5
131.04944	2.0
131.08534	4.2
133.06493	2.7
133.10123	4.5
135.04443	2.4
135.08023	2.5
135.11636	3.2
137.05960	3.0
143.08527	3.4
145.06470	4.0
145.10104	6.7
147.04349	3.0
147.08054	2.7
149.02359	2.2
149.09619	2.1
150.42007	1.7
151.03761	2.2
157.10074	2.6
159.11636	2.6
161.05916	2.4
163.03897	2.1
165.06937	1.8
167.08641	2.2
169.10158	3.5
172.12225	2.0
173.05936	3.8
175.03899	4.4
177.05507	2.3
181.04970	3.4
189.05399	4.7
195.11673	2.0
199.07635	1.7
217.04944	3.5
221.04443	5.5
233.08148	1.9
233.11679	3.5
235.05901	2.5
241.12263	3.4
243.10339	2.5
244.53006	1.8
245.87083	1.6
251.10724	2.5
259.13351	2.5
269.11713	4.5
277.10696	3.2
287.12790	6.7
297.11389	2.4
303.04959	1.6
304.05386	3.4
305.13748	2.0
315.12238	15.7
333.13318	100.0
334.14044	2.0
337.38342	1.7
351.14386	22.9
418.26785	2.1
422.96045	1.6
436.18741	3.7
436.27057	2.5
436.32852	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01876	2.7
55.05500	3.3
56.96566	2.5
57.03435	2.8
65.03940	4.0
67.05499	6.1
69.03416	10.2
69.07061	6.9
70.06591	4.2
71.04999	4.7
71.58629	3.4
72.08128	3.5
73.02925	5.2
79.05484	8.3
81.03414	6.5
81.07041	12.6
83.25558	2.3
84.04523	2.9
84.08150	7.3
85.02921	10.9
86.09701	5.7
91.05473	8.8
92.04989	15.1
93.07044	10.3
95.04955	4.1
95.08604	5.0
97.02866	9.3
97.06522	2.6
100.07610	3.3
100.11204	2.8
103.05497	2.3
105.07019	4.9
107.08582	9.3
109.02908	4.7
109.10183	4.0
111.00784	2.4
119.08560	3.0
120.04462	100.0
120.05321	5.4
120.08099	2.9
121.04848	3.2
121.10146	4.1
123.04469	2.5
125.13303	2.8
127.03918	9.6
131.08513	2.8
135.11684	11.7
135.80420	2.3
136.06180	4.6
138.05490	10.4
145.04967	4.2
145.10124	2.8
147.04431	4.5
150.09129	2.2
153.01874	4.7
153.12790	18.8
167.07063	3.0
174.38573	2.3
177.05490	3.5
178.61867	2.5
181.04956	3.4
191.03423	4.7
194.94470	2.6
210.14862	3.0
230.87578	2.5
231.05080	5.3
258.04880	2.5
282.09753	3.0
285.03900	4.5
286.04453	3.3
301.01550	4.0
303.04929	12.7
304.05331	27.0
317.47842	2.2
329.01163	2.7
347.02206	27.6
362.63678	3.1
373.03818	3.7
399.34131	2.4
436.32510	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	436.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.4
55.01866	13.9
57.03434	8.3
61.75249	4.5
64.40607	6.2
67.05493	11.6
69.03420	11.6
70.06586	19.1
70.82396	7.0
70.82758	15.1
72.08159	8.4
73.02933	5.6
79.05492	29.3
81.03402	8.4
81.07053	18.9
84.08135	7.3
85.02899	37.4
86.09694	16.1
88.03992	74.1
91.05471	47.1
92.50602	4.7
93.07038	70.7
95.01333	5.5
95.04936	24.9
95.08604	8.2
95.29190	5.8
97.02888	16.9
99.02698	4.8
103.05441	5.8
105.07034	49.0
107.04962	10.9
107.08575	20.1
110.07201	5.6
111.04427	11.3
117.07024	20.2
119.04925	11.9
119.08581	44.4
121.06501	6.3
121.10141	17.6
122.02691	18.1
123.04408	19.6
125.04221	11.8
127.03851	6.6
127.05739	5.4
128.06241	8.9
129.06999	18.3
131.08549	46.4
133.06491	12.1
133.10121	29.9
135.04379	33.6
135.08055	8.7
137.05992	5.6
141.06995	8.2
143.08565	23.3
145.02832	7.3
145.06465	9.9
145.10120	23.5
147.04390	16.7
147.08032	58.5
151.03885	10.6
151.05765	9.8
151.07536	26.8
154.07770	11.5
155.08528	6.4
157.10120	9.2
159.08072	15.5
159.11694	7.0
161.09573	10.3
163.03877	19.1
167.08633	6.2
169.10107	18.0
171.08012	6.9
173.09645	8.7
175.07504	9.8
175.11281	5.5
177.05460	7.7
177.09097	11.0
179.08484	8.8
181.10146	7.9
182.07349	5.7
185.09535	12.2
197.09593	22.5
199.11211	11.4
201.09178	9.8
203.10706	8.1
207.10123	6.1
213.09048	5.8
214.08832	8.0
215.10640	27.9
217.12283	12.8
225.09119	11.7
231.10266	32.4
233.11679	9.3
235.13170	6.9
241.08914	11.8
243.10158	49.8
251.12820	6.1
261.11215	40.7
265.09045	5.1
279.12277	12.4
295.09952	14.3
297.13211	8.7
331.12161	11.8
336.12369	8.0
372.14560	9.8
382.13141	37.3
384.86395	5.3
400.14426	6.1
418.15292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
57.03441	1.2
61.02920	1.9
69.03407	4.4
70.06588	1.3
71.04991	2.6
71.56835	2.6
72.08151	2.3
75.87315	1.1
76.01231	1.2
81.03439	1.7
81.04539	25.7
81.07059	6.4
83.06102	1.3
84.04520	2.5
84.08102	1.8
85.02906	6.2
86.09702	1.3
88.03980	3.2
95.06083	18.8
97.02888	4.5
107.06097	1.6
109.02818	1.9
110.07178	1.5
119.08577	1.6
125.07108	34.9
127.03880	1.9
129.10286	1.2
143.08153	26.6
147.04427	1.9
163.12306	3.3
193.13274	1.6
210.91702	1.3
223.14452	7.2
241.15471	25.7
243.10120	2.5
255.17212	2.2
259.11542	17.0
260.11923	1.5
273.18085	100.0
274.18475	2.1
435.14761	12.4
435.23398	48.2
436.15543	1.4
436.23773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2505
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.01880	6.5
55.05519	30.4
57.03433	12.1
57.07066	7.1
67.05499	60.2
68.53061	5.4
69.03436	5.5
69.07067	26.4
69.84719	5.6
71.57861	5.7
71.58273	9.3
77.93023	5.0
79.05473	31.0
81.07050	75.8
83.08617	11.6
84.08161	6.9
91.05482	24.1
93.07037	34.7
95.04943	15.6
95.08596	56.5
97.10174	10.1
98.98469	70.2
105.07050	18.8
107.08598	14.8
109.06522	14.4
109.09457	8.2
109.10159	25.8
111.58385	5.7
117.07020	5.8
119.08570	18.5
121.10143	16.0
123.11719	12.5
131.08546	11.2
133.10143	12.3
135.11671	6.5
145.10063	10.5
147.11671	10.6
154.63586	6.1
157.33345	6.3
173.02116	8.5
181.41757	5.2
187.02977	5.9
204.54869	6.1
217.28967	6.7
229.07404	7.0
245.22595	8.0
247.08508	10.5
263.23685	15.5
270.59402	5.9
303.04825	11.3
321.34372	6.6
337.27383	100.0
385.23495	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	435.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01865	2.8
57.03432	3.2
61.02928	1.9
65.03947	7.6
66.76422	1.5
67.05495	5.4
69.03431	7.4
69.07055	5.1
70.02683	8.0
70.06595	4.3
72.08128	2.7
73.02913	4.7
79.05489	9.9
80.27429	1.2
81.03410	4.8
81.07053	5.5
82.04191	3.5
83.04967	1.3
84.04482	2.0
84.08139	3.4
85.02895	15.9
85.45020	1.3
86.09719	3.3
91.05479	7.6
93.07056	3.4
93.43195	1.2
95.04955	6.4
95.08607	2.0
97.02887	5.8
97.06522	5.8
99.04447	1.4
100.07629	2.1
103.05476	2.0
105.07014	2.8
106.04191	1.4
107.04934	19.1
107.08579	3.5
108.02081	1.4
109.01118	1.3
109.06518	1.5
110.03677	3.8
110.07142	2.2
111.04449	4.5
115.05447	5.0
117.03399	1.4
117.07025	4.6
119.04960	6.1
119.08543	2.8
120.08083	2.7
121.02885	2.3
121.06494	3.5
121.10126	1.8
123.04423	6.1
124.05203	2.5
125.05994	5.3
127.03899	7.2
129.07011	2.3
131.04932	2.0
131.08566	3.8
133.06500	3.4
133.10135	2.3
137.02368	4.4
137.05959	2.9
138.03087	3.2
139.03889	3.0
139.77875	1.4
141.06982	2.0
142.02652	2.5
144.05730	3.6
145.04938	1.6
145.05458	1.3
145.06445	8.4
145.10104	2.1
147.04404	21.7
149.05939	3.3
151.03905	2.1
151.57657	1.6
153.01830	15.6
153.05449	3.1
155.04919	1.8
157.06444	2.5
157.10216	1.8
159.04301	1.6
159.08060	4.5
161.06044	6.6
163.03949	2.1
165.01909	1.7
167.07030	55.3
171.06554	7.6
172.05168	10.3
173.05968	7.3
175.08693	3.9
177.05443	4.0
177.09145	2.0
181.04950	100.0
182.88579	1.4
183.02922	1.5
185.05888	1.7
187.07541	10.3
189.05502	2.4
190.06265	2.3
191.07010	3.0
191.10738	2.1
193.05019	1.6
193.08488	2.2
195.06557	2.0
200.04671	4.7
201.05420	7.3
202.06250	1.5
203.08144	12.2
204.10361	1.7
205.08560	5.4
206.05765	3.1
209.08060	2.6
217.08636	3.7
218.05789	5.0
219.06360	2.1
219.10040	7.3
221.07935	7.0
229.06192	2.5
232.09615	2.4
233.08063	62.0
235.09705	2.1
244.08371	1.9
245.08107	3.1
248.08589	1.6
251.09177	3.3
255.06595	2.0
258.09991	7.0
263.06827	1.8
263.09241	8.1
264.07834	1.9
273.07611	35.7
273.12256	36.1
303.04953	55.2
304.05273	2.9
307.09680	2.1
310.77463	1.4
323.09058	2.1
339.12283	3.7
355.11664	3.1
367.11642	3.9
371.14914	2.0
372.12073	2.5
381.13516	2.8
384.11923	1.8
387.14398	9.7
389.31824	1.4
399.14374	3.8
417.15460	28.7
435.17511	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0921
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
61.02917	1.1
61.45890	0.6
70.13994	3.1
73.02912	11.4
81.04440	0.6
98.21012	1.2
109.02864	0.6
111.00812	0.8
115.03948	0.6
121.02854	1.3
137.02367	3.5
137.03279	0.6
153.01848	3.8
163.03859	0.8
165.01822	1.6
172.52275	0.6
183.02837	0.7
201.05475	1.6
213.17276	0.6
219.02803	0.7
229.04921	4.3
257.04456	2.0
274.04828	0.8
285.03857	0.9
303.04987	100.0
304.05319	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	435.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28766	0.9
57.03426	4.9
69.33275	4.2
69.33694	6.7
73.02922	10.5
98.21115	4.7
108.29933	0.9
111.00851	1.2
121.02853	1.7
124.86376	1.1
137.02362	2.9
153.01862	3.9
165.01849	3.2
194.40442	1.1
201.05316	1.9
229.04933	3.9
257.04486	1.9
285.04224	1.4
303.04980	100.0
304.05295	4.1
337.84781	1.1
399.80496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.092
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
51.49468	1.2
55.01865	3.3
57.03422	3.2
69.03428	3.0
69.51618	13.4
73.02933	2.1
85.02848	2.1
98.20922	5.4
116.41008	1.5
137.02324	5.8
140.19926	1.9
142.48096	1.5
153.01830	5.8
165.01828	2.5
171.44710	1.5
178.44173	1.5
229.04987	6.9
257.04260	2.4
276.08307	1.7
303.04977	100.0
304.05331	4.5
400.51953	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32094	0.3
55.01868	0.4
57.03437	5.8
58.34060	0.3
61.02911	1.4
61.36062	0.3
64.18343	0.3
68.99770	0.9
69.03436	0.5
69.29276	1.5
69.29700	2.0
70.06570	0.5
71.01339	0.6
73.02916	12.2
76.12896	0.3
76.37004	0.3
81.03409	0.5
81.51276	0.3
85.02897	0.5
86.09701	0.4
87.04485	0.3
95.04984	0.3
109.02807	0.6
111.00792	1.1
111.17449	0.3
115.03928	0.7
117.09352	0.3
121.02850	1.4
122.02106	0.3
123.04379	0.7
137.02338	4.1
137.03314	0.5
144.58891	0.3
149.02344	0.6
153.01819	5.3
155.04886	0.4
161.05994	0.6
163.03903	0.9
165.01797	2.8
167.07083	0.7
172.28580	0.3
173.06006	0.6
181.05005	0.8
182.15463	0.3
183.02861	1.0
183.04390	0.5
184.31107	0.3
187.03934	0.4
195.02988	0.5
201.05492	1.7
206.13315	0.3
219.02972	0.6
219.06746	0.3
228.04237	0.4
229.04944	5.8
233.08090	0.7
247.06049	0.9
257.04437	3.3
274.04742	0.9
285.03967	1.1
302.04202	0.3
303.04984	100.0
304.05331	2.9
315.04926	2.0
317.96133	0.3
327.04678	0.3
345.06067	1.4
369.05988	0.5
399.07242	1.5
417.08057	0.8
435.09225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67992	4.2
55.05512	6.4
55.50274	3.7
56.05035	12.7
57.03423	12.6
60.04513	24.8
66.40498	3.9
67.05485	3.8
69.03428	9.0
70.02954	4.5
70.06593	43.5
71.04984	4.0
71.58318	8.4
72.08155	22.8
74.06050	5.2
75.04465	8.3
79.05493	7.4
80.33084	4.1
81.03385	11.4
82.06583	6.9
84.04505	17.4
84.08145	35.9
85.02902	22.0
86.09723	28.4
87.05598	5.2
88.03993	28.9
91.05492	26.9
93.07061	24.9
94.35513	4.2
95.08588	4.7
97.02859	5.4
102.05544	10.9
103.05486	32.7
104.06506	4.1
105.07020	5.8
106.05032	35.7
107.08602	5.1
110.07165	6.3
116.07114	7.7
119.04926	13.5
119.08583	31.7
120.04455	12.9
120.08083	12.8
120.08902	6.5
121.06490	6.4
121.10210	4.6
123.04422	11.6
124.07537	6.3
126.21371	4.3
127.03919	6.9
129.10246	9.2
131.04929	100.0
135.07985	5.8
137.05969	28.4
138.06715	12.9
147.04384	12.8
147.08064	12.7
148.05164	12.4
151.07562	10.6
161.06039	5.0
163.07552	68.2
166.06236	19.9
177.05511	5.4
179.06976	7.6
181.04904	8.8
181.08614	26.2
198.07631	5.3
208.26724	5.0
210.77318	4.6
237.11243	11.8
255.12244	42.1
270.13394	14.1
272.06241	13.2
439.71512	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	434.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17647	0.8
55.01868	1.8
57.03432	0.7
58.71189	0.7
61.02915	0.7
63.02366	1.4
69.03414	1.4
69.07092	0.6
70.06580	3.3
71.04973	0.9
71.09727	1.5
71.10059	1.3
72.08152	1.9
73.24490	0.7
79.05480	1.8
81.07066	1.2
84.04508	1.0
84.08141	1.5
85.02947	1.2
86.09718	1.8
88.03969	0.9
89.03912	10.7
91.04957	1.3
91.05484	12.9
93.07042	1.3
94.06554	0.9
95.04945	1.3
103.05464	1.9
105.07054	1.4
106.04173	0.9
107.04945	1.3
110.07158	0.8
116.07111	1.0
117.03379	30.5
117.98270	0.7
119.04943	11.4
120.08069	0.9
121.06512	1.9
122.03612	1.5
123.04435	0.8
124.05206	1.3
131.04875	1.1
131.07294	1.4
133.01854	0.9
133.02856	16.7
134.03627	2.6
134.06053	1.1
135.04369	4.2
137.02368	0.9
137.05011	1.3
137.05981	15.5
137.08315	1.3
145.02847	66.2
146.03392	0.8
147.04411	13.0
147.06796	3.5
148.07520	1.6
149.05986	15.6
150.06715	2.9
150.07797	1.0
151.07561	3.5
158.03619	1.0
160.03851	0.9
160.05109	1.3
161.05995	4.1
162.05521	1.3
162.06766	2.8
162.09149	7.3
165.05470	3.9
173.05975	3.3
174.05510	1.5
175.03903	9.6
175.06290	3.0
175.07600	0.9
177.05473	100.0
179.07047	5.8
180.07761	1.9
180.10214	1.4
183.52075	0.8
186.03171	1.0
186.05524	2.7
190.08661	9.2
190.13304	1.0
192.06534	3.2
201.05467	39.4
203.05684	4.8
204.06570	1.8
205.06467	1.7
208.09692	2.6
213.05472	3.7
218.08159	8.2
231.06599	2.2
233.05991	1.8
234.06625	1.4
236.09174	33.2
238.10657	1.2
250.06285	0.9
261.05579	1.1
262.06369	1.9
277.08597	2.0
292.07465	1.1
293.08319	1.2
303.04941	2.8
305.08124	3.2
307.09622	1.9
319.09247	0.8
325.10709	20.7
337.10562	7.3
341.10092	1.3
355.11731	11.0
373.12997	1.1
386.16174	0.9
390.23999	1.1
434.11749	1.0
434.18024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17647	0.8
55.01868	1.8
57.03432	0.7
58.71189	0.7
61.02915	0.7
63.02366	1.4
69.03414	1.4
69.07092	0.6
70.06580	3.3
71.04973	0.9
71.09727	1.5
71.10059	1.3
72.08152	1.9
73.24490	0.7
79.05480	1.8
81.07066	1.2
84.04508	1.0
84.08141	1.5
85.02947	1.2
86.09718	1.8
88.03969	0.9
89.03912	10.7
91.04957	1.3
91.05484	12.9
93.07042	1.3
94.06554	0.9
95.04945	1.3
103.05464	1.9
105.07054	1.4
106.04173	0.9
107.04945	1.3
110.07158	0.8
116.07111	1.0
117.03379	30.5
117.98270	0.7
119.04943	11.4
120.08069	0.9
121.06512	1.9
122.03612	1.5
123.04435	0.8
124.05206	1.3
131.04875	1.1
131.07294	1.4
133.01854	0.9
133.02856	16.7
134.03627	2.6
134.06053	1.1
135.04369	4.2
137.02368	0.9
137.05011	1.3
137.05981	15.5
137.08315	1.3
145.02847	66.2
146.03392	0.8
147.04411	13.0
147.06796	3.5
148.07520	1.6
149.05986	15.6
150.06715	2.9
150.07797	1.0
151.07561	3.5
158.03619	1.0
160.03851	0.9
160.05109	1.3
161.05995	4.1
162.05521	1.3
162.06766	2.8
162.09149	7.3
165.05470	3.9
173.05975	3.3
174.05510	1.5
175.03903	9.6
175.06290	3.0
175.07600	0.9
177.05473	100.0
179.07047	5.8
180.07761	1.9
180.10214	1.4
183.52075	0.8
186.03171	1.0
186.05524	2.7
190.08661	9.2
190.13304	1.0
192.06534	3.2
201.05467	39.4
203.05684	4.8
204.06570	1.8
205.06467	1.7
208.09692	2.6
213.05472	3.7
218.08159	8.2
231.06599	2.2
233.05991	1.8
234.06625	1.4
236.09174	33.2
238.10657	1.2
250.06285	0.9
261.05579	1.1
262.06369	1.9
277.08597	2.0
292.07465	1.1
293.08319	1.2
303.04941	2.8
305.08124	3.2
307.09622	1.9
319.09247	0.8
325.10709	20.7
337.10562	7.3
341.10092	1.3
355.11731	11.0
373.12997	1.1
386.16174	0.9
390.23999	1.1
434.11749	1.0
434.18024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34431	5.0
52.14372	5.0
55.05513	35.2
57.03428	13.3
58.62001	5.4
59.60406	5.9
67.05505	63.4
69.07066	39.0
71.59004	8.1
76.49295	5.5
79.05486	35.1
81.07056	76.6
83.08614	11.1
91.05479	53.6
93.07050	42.2
95.08616	55.8
97.10138	8.4
98.98420	5.3
105.07035	55.9
107.08604	36.6
109.10142	34.9
112.99994	14.1
117.07023	19.6
119.08572	55.6
121.10157	23.8
123.11682	9.7
131.08572	26.6
133.10100	34.2
135.11737	7.5
137.13280	8.9
143.08578	10.5
145.10150	37.0
147.11664	33.9
149.13293	9.9
159.11726	24.8
161.13232	27.1
163.14836	8.0
169.02638	9.9
171.03073	7.9
173.13223	19.4
175.14920	10.9
187.14859	20.4
189.16281	7.2
201.16457	5.7
203.17926	6.9
219.54865	5.7
299.24030	6.4
307.66843	6.3
335.25677	10.6
341.28455	46.6
359.29330	11.3
430.28549	6.3
433.25604	8.6
433.33215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.235
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03947	3.7
55.05513	19.8
57.03430	13.9
57.07077	11.5
64.89680	3.0
67.05506	75.7
69.07072	21.1
69.91819	18.6
70.06592	3.1
75.04469	3.6
79.05492	55.3
81.07057	80.5
83.04989	5.8
83.08631	11.2
84.08150	3.7
91.05474	38.9
93.07047	73.0
95.04967	7.8
95.08607	56.6
97.06539	5.0
98.09647	2.7
98.21475	6.0
98.98467	85.1
105.07032	28.6
107.08599	39.2
109.06551	3.6
109.10173	23.7
115.05476	2.9
117.07022	10.6
119.08603	19.0
121.10133	31.0
123.08090	3.2
123.11747	7.5
129.07053	5.8
131.08566	26.9
133.10132	19.3
135.04422	5.4
135.11723	20.9
136.06198	7.6
137.13287	6.6
143.08572	5.8
145.10095	21.4
147.11665	11.6
149.13266	15.6
154.58228	2.9
155.01042	9.7
157.10242	3.1
159.11691	8.7
161.13263	9.5
163.03932	12.1
163.14809	13.8
165.12715	3.5
169.13365	4.0
171.11732	4.2
173.02167	11.5
173.13269	9.2
175.14813	5.0
177.16467	5.8
184.07320	8.9
187.14873	7.5
217.19186	2.9
243.21103	23.2
261.22150	50.0
317.24820	11.3
323.23651	5.0
335.25827	100.0
341.24493	5.7
358.61865	3.7
433.25287	6.5
433.38849	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	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.08949	2.4
53.03935	5.0
55.05515	14.5
55.13001	2.6
57.03437	12.8
57.07070	5.7
58.69884	2.6
65.03942	2.4
67.05508	64.9
69.07067	14.5
69.84341	17.2
71.63036	2.4
72.32793	2.5
79.05503	36.1
81.07059	73.3
83.08607	10.5
86.09685	10.1
91.05471	19.7
93.07043	53.2
93.33271	2.6
95.04969	6.0
95.08609	57.7
97.06493	2.7
97.10091	3.9
98.98469	100.0
105.07034	17.8
107.08597	34.0
109.10161	25.8
114.48473	2.3
116.99479	2.8
117.07036	4.1
119.08601	15.3
121.10150	24.5
123.11694	11.3
125.00001	6.9
131.08633	16.3
133.10123	11.0
135.11693	21.1
136.06183	18.0
137.13286	3.9
145.10130	10.3
147.11722	9.2
149.13245	10.8
155.01035	11.2
159.11670	10.2
161.13240	7.3
163.14807	8.3
173.02080	17.3
173.13242	6.1
175.14778	2.6
184.07341	24.8
187.14783	6.8
233.22626	2.8
243.21143	11.4
261.22174	44.8
317.24734	9.2
335.25809	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57460	5.2
53.03946	6.3
55.01871	37.1
55.05511	51.2
57.03450	9.7
65.03927	7.9
67.05502	73.5
69.03422	16.0
69.07069	39.9
71.05006	9.7
71.18311	8.9
71.18620	8.9
73.06576	5.1
79.05495	71.6
81.03395	11.7
81.07050	100.0
83.04967	13.4
83.08609	19.7
84.08153	7.6
85.02911	9.9
85.06551	7.0
86.09706	9.0
91.05476	97.3
93.07034	57.1
95.04970	26.9
95.08613	41.3
97.10153	6.7
98.98415	6.2
100.07603	10.4
103.05490	16.3
105.03442	8.7
105.07030	88.4
107.04919	14.9
107.08582	25.6
109.06474	11.0
109.10133	21.8
115.05453	20.5
116.06326	6.3
117.07011	54.3
117.24639	6.6
119.04922	14.7
119.08602	52.2
121.06528	15.1
121.10159	28.2
123.11708	13.2
128.06244	22.9
129.06992	42.1
131.04968	14.0
131.08557	52.4
133.06485	17.7
133.10129	23.3
135.04404	11.8
135.08069	16.4
135.11723	6.4
136.06174	8.8
139.03903	7.0
141.06993	25.5
142.07770	13.2
143.08549	32.8
145.06564	30.5
145.10146	32.8
147.04376	14.4
147.08054	21.4
147.11739	36.2
149.02342	5.5
149.09621	18.4
151.03906	10.5
153.05522	7.3
153.06964	7.7
155.08597	20.7
157.06479	23.3
157.10107	23.1
159.04424	19.7
159.08096	31.2
159.11697	22.1
161.05984	24.7
161.09641	19.4
161.13191	7.9
163.03900	11.2
165.05499	6.5
165.06975	11.4
167.08600	13.8
169.06447	9.2
169.10132	22.2
171.04457	10.5
171.08060	23.3
171.11752	16.7
172.12173	6.9
173.06035	18.3
173.09607	25.7
175.03882	10.3
175.07513	18.4
177.05496	10.6
177.09167	10.5
181.10083	6.5
183.08084	14.3
184.05215	6.7
184.07375	11.9
185.05974	15.0
185.09628	14.0
185.13199	11.2
186.06741	6.5
187.03926	21.7
187.07545	31.2
187.11215	9.2
189.05455	15.0
189.09120	13.6
189.12727	7.7
197.06032	9.0
197.09618	14.7
197.67339	7.1
199.03874	15.8
199.07555	20.6
199.11148	18.3
201.05481	12.9
201.09138	22.3
203.06995	15.2
205.08554	10.4
209.13133	8.3
211.07625	8.2
213.05414	15.4
213.09120	15.4
213.12845	7.1
215.07004	13.5
215.10617	9.5
217.08533	28.5
225.09204	11.3
227.07057	12.7
227.10652	18.5
229.05084	8.0
229.08653	17.9
231.10330	12.3
236.15175	6.0
241.08676	20.7
243.10187	17.9
245.07860	6.8
245.68182	7.0
247.06023	8.9
253.08487	8.8
255.10115	13.3
271.05954	7.2
273.18402	8.7
281.15128	6.4
291.12543	7.5
299.12735	6.3
313.17825	7.2
324.37308	7.0
327.19553	16.7
351.19476	16.9
355.18936	32.3
363.14435	13.2
367.19034	27.6
369.20547	16.3
373.20172	8.9
379.18976	29.1
387.21771	12.4
397.20099	52.0
415.21033	51.3
433.21951	74.1
433.38623	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	433.1132
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.48173	0.7
53.78244	0.6
57.03441	7.4
68.99793	0.9
69.39649	0.7
70.84175	2.0
73.02910	2.5
75.04485	23.6
85.02901	2.6
120.17700	0.6
121.02848	2.9
137.02272	0.7
145.06471	0.9
153.01852	4.4
165.01842	1.8
181.04884	1.5
194.02066	0.9
213.05360	1.7
241.05038	0.8
258.05161	1.1
273.06638	1.3
287.05511	100.0
288.05835	2.3
396.82047	0.7
415.10715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15832	0.9
54.18716	0.9
55.01867	2.9
55.05485	1.8
57.03407	1.2
58.99584	1.0
61.02922	1.1
63.28357	1.0
63.78746	0.9
65.03945	7.8
67.05485	3.3
69.03413	2.1
70.06586	2.5
71.04985	2.5
71.58632	1.5
72.08159	1.5
79.05497	10.9
81.07047	4.2
81.26329	0.9
82.04182	4.6
84.04495	1.2
84.08145	2.7
85.01125	1.4
85.02911	8.1
86.00644	13.6
86.09719	2.4
91.05469	4.0
93.03384	1.4
93.07034	2.2
95.01304	1.2
95.04974	7.2
97.02876	1.1
97.06508	3.2
102.05544	1.2
105.07030	8.6
106.04140	1.4
107.04961	14.6
108.02093	1.9
108.48215	0.9
110.03648	4.4
110.07190	1.1
111.04460	2.6
113.04221	2.8
115.05640	1.1
121.10094	1.0
123.04427	5.1
123.08080	1.4
124.05215	3.5
125.05979	4.3
131.04944	1.5
133.06508	9.5
137.02371	1.6
137.05898	1.1
138.03191	2.4
138.80576	1.1
139.05757	2.4
142.02609	3.1
147.04408	1.6
149.05960	1.3
152.04686	1.4
153.01842	2.5
153.80193	1.2
155.06989	1.9
156.08417	16.6
156.10243	1.8
161.05988	11.5
167.07043	22.1
171.06526	7.5
181.04955	100.0
182.05234	1.7
183.06525	2.9
189.03329	1.2
189.05463	1.9
191.03424	1.1
193.08595	13.1
205.08461	1.4
206.05737	1.4
208.51814	1.1
221.05910	2.1
221.08084	38.9
222.08360	1.2
242.08449	5.4
249.07585	18.9
259.11084	2.8
269.04303	1.0
271.06036	7.8
287.05484	13.8
312.08850	2.0
313.10605	1.5
325.10675	1.8
330.06183	1.2
330.10074	22.9
342.10974	1.4
343.04486	8.5
352.14746	1.1
371.11136	1.5
397.05389	2.7
403.13864	49.7
404.14325	3.1
415.10226	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	SCHEMBL1689483
Peak:m/z	Relative Intensity
55.01868	0.3
65.36497	0.2
68.99796	0.6
69.59315	0.7
69.59746	0.6
71.04983	0.3
72.08136	0.3
84.08138	0.2
85.02899	0.2
93.07082	0.2
98.20800	0.4
100.51371	0.2
103.05503	0.2
107.83871	0.2
108.32496	0.2
109.02878	0.4
111.00795	0.2
115.05418	0.4
119.04972	0.3
121.02828	0.3
123.04447	0.4
124.03924	0.3
125.04255	0.2
129.07016	0.3
137.02341	2.7
137.03323	0.3
139.05424	0.3
143.04927	0.2
147.04398	1.0
148.04720	0.3
148.37825	0.2
149.02306	0.5
157.06436	0.4
161.05959	0.4
165.01849	0.2
171.04562	0.2
175.03944	0.3
185.05975	0.8
185.11502	0.4
185.44945	0.2
189.05489	0.3
213.05493	2.4
216.04161	0.3
231.06520	0.8
241.04922	1.3
242.05635	0.4
259.06046	0.2
269.04572	0.5
271.02402	0.2
271.05823	0.9
279.79196	0.2
287.05490	100.0
288.05844	3.0
347.16736	0.5
377.94263	0.2
380.12384	0.2
389.17789	2.2
433.16736	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
67.01850	0.5
67.27451	0.1
68.99789	0.4
69.93690	0.9
78.35984	0.1
84.08123	0.3
89.15650	0.2
90.58514	0.1
91.05453	0.5
98.09669	0.2
100.07627	0.2
105.07005	0.2
119.04932	1.8
121.02837	0.6
129.01807	0.2
131.05000	0.2
145.02844	0.6
153.01819	4.3
163.03862	0.3
171.02875	0.6
181.04922	0.5
225.05295	0.2
229.05038	0.3
243.06514	0.2
271.05991	100.0
272.06342	3.4
403.13904	0.2
433.11292	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	433.1133
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.05507	0.5
57.03193	0.4
57.03438	4.8
65.16997	0.4
67.01894	0.3
68.99787	1.0
69.03427	0.9
69.28197	4.2
70.06583	0.6
71.04993	18.2
73.02908	1.5
75.04484	9.0
79.05495	0.8
81.07043	0.5
83.04980	0.5
84.08137	1.2
85.02905	15.3
91.86465	0.4
95.04951	0.5
95.08585	0.4
98.20665	0.7
100.07608	0.9
105.03416	0.5
107.04948	1.0
107.08558	0.4
111.00793	0.9
111.04392	0.5
121.02860	4.9
122.03281	0.4
129.05481	3.0
133.02789	0.4
137.02335	0.8
147.04408	0.9
153.01842	4.9
157.06462	0.7
161.05984	0.5
165.01822	1.7
167.07040	0.4
181.04935	1.5
181.06342	0.4
183.02892	1.0
185.05984	0.6
213.05478	1.3
231.06529	0.8
241.04927	0.6
258.05228	1.3
259.06091	1.0
271.05933	1.9
287.05496	100.0
288.05823	2.7
299.05484	3.0
300.06146	0.5
311.05261	1.1
313.06973	1.0
325.07175	1.0
329.06604	3.3
353.06387	1.8
379.08066	1.9
397.09116	3.0
403.13657	0.5
415.10324	1.1
433.11218	1.3
433.39117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1124
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.01842	0.3
55.66697	0.1
58.41190	0.1
65.03918	0.2
68.99785	0.4
69.03401	0.2
69.47781	0.2
69.48180	0.9
70.06570	0.1
71.04967	0.3
72.08150	0.3
81.03406	0.4
85.02888	0.3
91.05457	0.3
95.74304	0.1
98.20764	0.2
106.02901	0.5
107.03276	0.2
109.02874	0.2
111.04521	0.2
115.05446	0.2
115.23042	0.1
117.53252	0.1
119.04897	0.6
120.05281	0.4
121.02885	0.6
122.06825	0.2
123.04395	0.5
124.03952	0.8
125.04258	0.3
127.03966	0.2
129.06944	0.3
130.06490	0.2
133.06447	0.1
137.02335	2.8
137.03357	0.2
139.05417	0.2
139.63438	0.1
141.06955	0.2
143.04863	0.1
145.06560	0.1
147.04395	1.9
148.04744	1.3
149.02310	0.5
150.03140	0.2
153.01877	0.1
157.06436	0.6
158.05939	0.1
161.05922	0.4
165.01839	0.5
165.93723	0.1
167.04991	0.2
171.04422	0.3
175.03883	0.4
177.01839	0.2
181.04950	0.2
185.05928	1.0
185.11494	0.3
189.05481	0.6
191.03371	0.2
193.04974	0.2
199.03961	0.2
203.06998	0.3
213.05461	2.2
213.10928	0.1
216.04202	0.3
217.05006	0.1
231.06491	0.9
232.59537	0.1
241.04930	1.4
242.05655	0.3
258.05246	0.2
259.06055	0.2
268.08218	0.2
269.04462	0.6
269.08527	0.3
271.06000	0.7
287.05481	100.0
288.05832	2.6
317.05627	0.2
347.16785	0.9
389.17828	2.1
397.08783	0.1
415.10205	0.1
433.11700	0.2
433.16913	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	433.113
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
52.58352	0.2
55.05492	0.3
56.05020	0.3
57.03437	0.2
65.03945	0.2
67.05484	0.2
68.99772	1.1
69.03437	2.5
70.06577	0.6
70.06979	0.2
70.12571	0.9
70.12854	0.2
71.01350	0.2
72.08133	0.5
74.06064	0.3
76.02207	0.4
79.05488	0.5
81.03413	0.9
81.07059	0.4
83.04955	0.3
84.08118	0.4
85.01122	0.3
85.02905	1.8
86.09705	0.7
91.05461	0.6
93.07031	0.4
95.01312	1.8
95.04951	0.6
95.08573	0.2
97.02854	0.3
102.03769	0.2
102.05530	0.4
107.04943	0.5
109.02888	0.4
109.06516	0.5
111.04444	0.7
111.08094	0.2
116.01639	0.3
117.03426	0.2
119.04899	0.4
119.08572	0.2
121.06546	0.2
121.10157	0.2
123.04449	0.2
127.03899	0.4
128.60385	0.2
129.05515	0.3
131.05016	0.2
135.04408	2.1
137.02342	7.7
137.03331	0.4
137.05983	1.7
139.07520	1.5
141.06947	0.4
147.04390	0.6
155.03394	1.6
156.08446	0.4
157.06461	0.2
161.02336	2.7
162.02246	0.3
166.74187	0.2
167.07040	2.1
169.06509	0.4
171.06496	0.3
179.04848	1.4
181.04935	0.8
185.05939	0.5
185.07907	0.3
193.08574	0.5
196.82524	0.2
197.05986	0.5
205.06480	0.4
212.48904	0.2
218.16953	0.2
221.08124	0.3
225.05408	0.3
227.09079	1.1
229.07130	0.4
243.06464	0.2
253.04919	0.4
255.08719	0.8
258.10297	0.4
271.06000	100.0
272.06345	3.2
287.05493	1.0
299.05594	0.2
299.08926	0.2
315.05063	0.2
327.08459	0.3
330.09961	0.2
357.45697	0.2
365.81158	0.2
369.09869	0.2
389.12390	0.8
394.58960	0.2
403.13879	0.2
407.69672	0.2
415.10370	0.4
433.12320	3.6
434.12180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99940	0.3
55.12744	0.3
65.83162	0.3
69.79111	1.2
69.79521	0.7
73.24786	0.4
77.00169	0.3
79.05480	0.7
81.83965	0.3
83.69569	0.3
84.08149	0.7
90.05527	0.4
95.97801	0.3
96.08128	0.7
98.21439	0.4
104.54211	0.3
106.06557	1.1
108.08126	2.6
114.91324	0.3
123.06806	0.5
124.07589	3.2
134.06013	42.7
135.06319	0.5
136.07561	1.4
138.05478	2.9
139.89891	0.3
152.07060	100.0
153.07410	0.9
155.66359	0.3
166.08627	0.5
184.09689	69.7
185.10046	0.7
227.07416	0.3
303.05988	0.4
388.15952	0.5
400.12418	0.4
432.14761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Galanginin
Peak:m/z	Relative Intensity
51.11503	1.1
53.03941	1.7
54.96506	1.1
55.01875	2.2
56.05018	1.1
57.03438	2.6
60.73356	0.8
61.02930	1.3
67.05502	2.1
68.99798	2.4
69.03403	2.4
69.40971	9.1
70.06584	2.2
71.04990	4.5
72.08153	2.4
79.05485	1.4
80.95086	0.9
81.03406	2.0
81.07057	1.6
83.04988	1.7
84.04502	1.7
84.08151	9.1
85.02903	6.2
86.06052	1.1
86.09698	3.0
91.05476	2.2
93.07076	4.7
95.01321	1.4
95.04977	2.3
95.08588	1.5
97.02874	2.0
105.07029	1.1
107.04980	1.6
107.08579	1.6
109.02886	2.6
109.06535	0.9
111.08095	1.5
114.24799	0.9
119.04935	3.7
121.02864	10.1
121.10148	1.7
129.10243	2.2
133.06517	1.1
135.04420	1.9
137.02344	6.0
137.06010	1.5
137.82907	1.0
141.01845	2.2
145.02849	3.2
147.04416	1.2
147.73615	1.0
149.02354	1.8
153.01797	4.8
155.03389	1.8
156.08423	1.2
161.02354	1.9
163.03926	3.3
165.01840	9.0
167.03452	1.9
167.07095	2.4
177.05553	2.0
179.03459	2.1
181.04962	4.4
183.02884	4.6
189.01965	1.5
189.05516	1.2
191.03406	1.3
195.02980	1.7
200.05992	1.1
203.03468	2.4
207.06555	1.0
213.05531	1.3
217.04971	1.0
229.05016	1.4
233.25731	1.1
241.05118	1.1
259.06229	1.3
259.33063	1.0
261.04050	1.2
266.05606	1.2
267.06485	6.7
270.05292	2.2
271.06003	100.0
272.06192	2.0
281.08127	4.5
283.06000	75.6
284.06769	11.8
287.05511	21.7
295.06055	9.9
295.09439	2.3
297.04291	2.2
297.07660	5.8
299.05576	1.1
305.08246	2.1
307.06119	2.0
308.06894	2.2
309.04123	1.9
309.07544	13.8
313.03537	2.5
313.07040	56.1
313.10342	2.4
323.09131	11.9
333.07520	2.2
337.07037	22.5
341.10364	1.4
343.04535	10.3
343.08206	2.3
349.06982	7.7
351.08713	4.1
355.08105	1.2
361.06964	6.4
367.08118	12.9
371.11273	2.6
379.03952	1.6
379.08179	14.7
387.10956	1.6
397.09369	16.1
403.14023	2.2
414.80032	1.2
415.10275	12.5
433.11441	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	432.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14610	0.3
70.60044	1.0
79.05480	0.5
80.05038	0.2
81.05788	0.4
91.72793	0.2
94.66825	0.3
95.04970	0.4
96.08133	1.1
106.06552	0.7
123.06834	0.4
124.07576	3.5
134.06010	48.4
135.06303	0.4
152.07059	100.0
153.07356	1.6
184.09685	64.0
185.09970	0.9
216.60498	0.3
432.14993	0.4
434.36575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
57.03426	0.8
65.03930	1.1
67.05488	0.8
69.03429	3.5
69.27586	2.4
69.28004	5.0
69.35992	0.6
70.03736	0.7
70.06576	1.0
71.04971	1.2
72.08147	0.8
78.03453	5.7
80.05015	1.0
81.03418	7.5
83.96735	0.6
84.08133	1.1
85.02898	3.4
86.09714	0.7
91.05482	9.7
91.49612	0.6
95.04962	1.1
95.93367	0.6
96.04478	3.4
97.02888	2.1
99.56568	0.6
103.05449	1.1
106.02217	1.5
106.02915	21.4
109.02898	3.3
119.04942	24.7
121.02853	1.0
121.06517	8.3
122.56571	0.8
123.04430	4.9
124.03953	34.7
127.03895	1.5
131.04897	0.8
132.05716	0.8
137.02336	2.1
144.95129	0.7
147.04405	100.0
148.04765	1.9
161.05933	0.6
161.73232	0.8
165.05437	2.2
166.04994	0.8
177.05457	0.9
180.07851	1.3
187.03914	0.9
190.39410	0.6
191.07130	1.0
192.07808	2.7
203.39140	0.7
213.05423	1.3
231.06682	0.8
231.50241	0.7
250.07129	7.2
268.08151	20.5
281.78091	0.7
286.04721	0.7
287.05487	63.5
315.04852	0.9
316.05270	4.2
329.06085	0.7
353.10312	1.1
370.06323	1.8
371.11212	1.8
396.07697	0.9
414.12457	1.4
432.12537	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09697	0.5
53.65358	0.5
54.84951	0.5
55.05513	2.6
57.03431	5.7
57.07074	1.2
59.49935	0.6
67.05500	11.3
67.05833	0.9
69.07064	3.0
69.88383	1.7
69.88801	1.2
70.23053	0.5
71.08647	0.6
79.05494	3.1
81.03421	0.9
81.07057	12.1
83.08619	1.6
91.05473	2.5
93.07035	3.2
95.04948	1.0
95.08598	9.3
97.06556	1.2
97.10175	1.1
98.98463	0.7
105.07023	2.1
107.08595	2.8
109.10149	4.0
111.08099	0.6
113.00013	100.0
119.08595	1.9
121.10120	2.8
121.28114	0.5
123.08075	0.6
123.11712	2.3
131.01039	1.4
133.10129	2.1
135.11668	1.5
137.09605	0.8
137.13220	0.7
139.01540	0.7
147.11694	1.2
149.13330	1.1
151.14799	1.0
154.02609	0.9
155.01024	0.7
159.49902	0.5
161.13254	1.0
163.14816	1.0
164.84627	0.7
169.02606	89.4
170.02902	0.8
175.14737	1.1
187.03722	0.7
189.16386	0.5
245.22675	2.8
263.23709	6.0
264.24060	0.8
324.96844	0.5
333.87222	0.5
431.27118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.3
55.01878	5.4
55.05502	19.0
57.03426	26.2
58.97770	2.4
60.18626	3.0
61.02925	56.6
63.07573	3.1
65.03952	3.2
67.05177	4.4
67.05503	64.3
69.03420	26.2
69.07067	28.0
69.71307	17.9
71.01381	4.1
71.04980	10.9
73.02914	30.9
79.05067	4.6
79.05491	49.1
81.03415	27.8
81.07052	100.0
82.25793	3.0
83.04983	14.5
83.08617	15.4
84.08168	3.7
85.02903	50.8
85.06535	7.0
87.04460	3.9
91.03956	30.4
91.05463	31.2
93.07037	97.5
95.04972	14.3
95.08615	36.3
97.02887	54.2
97.06535	17.6
97.10162	3.5
99.04447	11.8
99.08086	5.9
101.02365	10.5
103.03955	4.3
103.05437	3.2
105.07048	16.1
107.04980	3.8
107.08588	43.0
109.02864	13.6
109.06486	5.9
109.10142	9.5
111.04422	5.5
111.08082	14.0
113.06004	2.6
115.03933	6.5
117.07026	13.2
119.08561	9.7
121.02854	3.2
121.06484	3.3
121.10133	41.6
123.08056	2.7
123.11684	4.8
127.03925	25.1
129.05450	4.2
129.07004	2.9
131.08542	16.9
133.10115	15.8
135.08040	3.7
135.11707	19.4
139.11168	4.3
145.04938	8.0
147.08008	4.3
147.11702	7.0
149.09558	8.1
149.13243	67.5
149.14386	5.1
153.01839	5.4
157.10185	3.4
159.08026	4.3
159.11705	23.9
163.11227	3.2
165.12743	3.1
169.07678	2.7
171.11647	4.1
173.05916	3.7
177.12761	15.7
183.06573	5.1
195.13795	37.5
201.07553	2.9
208.99361	2.3
213.14851	4.2
216.71005	2.6
217.05011	2.8
229.05057	2.8
245.04388	5.0
257.04276	2.9
269.17438	86.4
269.20172	5.0
275.13809	13.8
281.13947	5.2
287.05554	6.4
299.05481	6.0
301.03418	7.1
303.04901	4.7
313.03506	15.2
313.06720	3.0
355.08093	21.7
367.29398	3.0
399.10886	9.3
431.13745	14.0
431.22583	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	431.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.1
55.01856	6.9
55.05520	11.5
57.03435	18.0
61.02926	26.5
67.05173	3.7
67.05502	46.3
68.99770	3.2
69.03425	20.4
69.07064	16.9
70.06585	5.5
71.04985	7.5
71.58531	4.3
72.08148	3.7
73.02917	29.6
73.18610	2.0
74.03242	3.0
79.05495	31.0
81.03409	15.9
81.06580	3.9
81.07054	62.3
83.04979	15.1
83.08613	10.0
84.04461	3.0
84.08128	6.8
85.02905	33.7
85.06538	7.2
86.09701	5.0
87.04494	4.7
90.31023	2.0
91.03416	2.6
91.03941	14.7
91.05455	26.7
93.06466	4.5
93.07042	64.3
93.47999	2.2
95.04958	12.4
95.08616	21.7
97.02892	26.3
97.06511	12.6
98.06049	3.2
99.04444	9.2
101.02368	6.2
103.03928	3.2
105.07033	19.9
107.04964	5.8
107.08585	27.1
109.02905	13.8
109.06474	5.7
109.10149	10.5
111.00735	2.7
111.04471	4.6
111.08086	7.1
115.03944	2.5
115.05402	3.3
116.10751	4.3
117.07011	11.8
118.23907	2.2
119.08588	13.2
121.02859	4.9
121.06496	5.6
121.10131	33.9
123.08069	3.9
123.11709	2.5
125.06007	3.3
125.09641	4.3
127.03908	12.9
129.05469	3.1
129.06989	5.5
130.06601	2.6
130.08623	2.6
131.04877	3.8
131.08533	17.4
132.08105	2.8
133.10107	8.1
135.08058	4.5
135.11700	7.6
135.55620	2.4
137.05962	8.8
139.11188	2.6
143.08496	3.7
145.04927	4.2
145.10117	4.5
147.04405	5.6
147.11678	5.3
149.09618	14.4
149.13255	28.2
151.11115	3.0
153.01816	34.3
159.06485	3.2
159.07997	2.8
159.09204	2.9
159.11736	14.1
161.06000	3.9
163.07500	2.8
163.11288	3.0
165.01859	3.2
173.09674	2.7
175.03947	2.9
175.07518	2.4
175.11232	2.4
177.05612	3.0
177.12711	6.2
179.03284	2.7
181.04845	3.8
181.06412	2.7
183.07991	2.9
189.09079	2.6
191.10573	2.7
195.13846	15.8
197.01233	4.4
203.06931	3.2
213.05559	3.4
213.14847	2.5
217.04956	3.2
229.04959	5.4
269.17435	37.5
273.07446	3.9
281.13828	3.6
285.03937	6.4
287.05487	100.0
288.05905	11.3
298.04727	11.2
299.05487	5.1
299.09128	2.4
311.05472	7.7
311.16199	3.2
313.03381	34.7
314.03900	3.5
316.21140	3.4
317.21460	9.9
326.04166	9.7
327.04861	6.7
327.08353	5.0
347.13123	3.5
353.10443	3.7
355.08093	52.6
356.08698	5.6
356.13763	7.1
381.09619	12.3
382.10135	3.1
399.10913	18.0
400.11346	2.9
419.13657	3.7
431.13446	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	431.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.5
53.03937	3.8
55.01863	2.7
55.05508	15.3
57.03234	1.6
57.03437	16.6
57.07056	3.7
65.03957	2.9
67.05503	34.0
69.03413	4.4
69.07061	10.9
71.04977	4.1
71.59251	3.3
73.02903	3.7
75.04470	3.5
79.05485	44.2
81.03410	4.8
81.07056	40.1
83.04969	3.6
83.08616	6.0
85.02886	2.8
85.06522	2.9
91.05471	53.4
93.06474	3.9
93.07038	61.4
95.04962	7.3
95.08606	28.9
97.02851	4.2
97.06505	4.2
98.71291	1.7
98.98463	100.0
99.08059	2.6
103.03957	4.0
105.07026	51.9
107.08588	31.5
107.49246	1.9
109.06506	3.6
109.10171	9.2
115.05418	2.3
116.99500	4.9
117.07027	13.8
119.08574	56.9
121.09322	3.4
121.10136	42.5
123.08048	4.8
123.11690	5.1
129.05487	4.1
129.07002	10.6
131.08565	29.7
133.10123	40.0
135.11687	15.9
136.06204	3.1
137.09647	3.6
139.11150	2.8
141.14546	2.1
143.08553	11.7
145.10118	18.3
147.08020	3.9
147.11676	40.4
149.09633	12.3
149.13261	11.3
155.01018	3.6
157.10123	13.7
159.11717	17.4
160.93654	2.0
161.09636	2.3
161.13254	44.8
163.11176	3.4
163.14821	5.7
167.10690	2.0
171.11676	13.4
173.02122	24.8
173.13268	17.9
175.11124	3.6
175.14812	32.4
183.11801	2.2
184.07390	3.1
185.13193	13.8
187.14832	6.1
189.12662	3.8
189.16447	3.0
191.14290	2.5
199.14801	10.6
213.16446	2.4
214.08499	2.3
215.17920	5.8
217.19514	5.4
231.21147	7.8
241.19493	54.7
243.20889	2.0
247.72078	2.0
259.20551	68.7
267.07181	2.0
277.21661	3.0
281.13953	3.0
292.25085	1.8
315.23236	6.0
333.24222	87.2
333.28259	4.5
334.24481	2.7
413.20343	2.5
431.21045	4.4
431.27405	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	431.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
53.10918	0.9
55.01859	2.5
55.05510	5.6
56.05014	0.9
57.03436	12.8
59.04987	1.4
61.02917	2.1
65.03936	1.8
67.05497	6.0
69.03428	45.7
69.07058	2.7
69.46323	7.4
70.06578	3.8
71.04986	2.2
72.08148	1.5
73.02918	18.2
75.04488	1.6
75.26688	0.9
79.05493	14.5
81.03423	5.2
81.07047	11.9
83.04996	2.2
83.08644	1.1
84.04496	1.5
84.08134	2.3
85.02911	10.5
86.09699	7.9
87.04474	4.3
91.05465	20.9
92.05830	1.0
93.07042	100.0
94.07387	0.8
95.04977	12.2
95.08606	6.2
97.02290	1.8
97.02892	31.1
97.06531	2.8
98.21497	1.8
99.04446	2.4
103.05463	1.3
105.04489	1.3
105.07034	11.1
106.07842	1.1
107.04950	1.5
107.08596	11.3
109.02856	1.8
109.06499	2.1
109.10137	3.2
111.04447	2.8
111.08068	6.7
113.05985	1.0
115.03925	11.6
116.06190	1.7
117.07059	1.0
119.04931	3.1
119.08594	6.5
120.08079	1.2
121.06512	6.3
121.10143	70.4
122.10496	1.3
123.04438	2.6
123.08075	2.1
123.11703	3.3
124.03921	4.8
127.03914	1.1
129.07028	1.7
131.08575	15.2
133.07613	1.2
133.10106	1.7
135.08026	1.4
135.11653	1.7
137.05963	1.3
137.09586	1.7
139.03932	1.5
139.11182	4.3
141.05560	1.1
145.10143	1.5
147.04376	13.1
147.08017	1.7
149.09613	28.3
151.11147	1.3
161.05907	0.9
161.09549	1.5
167.10672	4.0
171.06442	1.0
175.05989	2.7
177.09114	2.6
181.04941	0.9
187.11133	1.1
189.05893	0.9
189.07518	2.1
191.10568	1.3
201.07541	6.4
201.12625	1.0
203.64676	0.9
209.91347	1.0
233.11760	1.6
235.13223	1.5
243.16086	1.3
263.12762	1.3
268.08167	3.7
272.59039	1.1
281.13840	59.6
282.14157	2.0
283.15344	2.4
299.14819	9.5
302.04178	1.0
325.06967	1.2
361.02478	1.2
413.18341	1.8
431.05939	2.9
431.18607	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	431.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01867	2.6
55.05507	4.5
56.05050	1.8
56.96553	1.2
57.03434	10.9
57.16116	1.1
57.16398	0.9
61.02921	1.5
65.03934	1.2
67.05501	5.4
69.03430	27.4
69.07063	3.1
69.68641	4.3
69.69064	3.1
70.06591	8.3
70.07636	1.0
71.01364	1.7
71.04996	2.8
72.08171	5.3
73.02910	12.2
75.04462	1.0
79.05490	15.6
81.03408	4.3
81.07056	7.6
83.04985	1.3
83.08615	1.2
84.04503	4.6
84.08149	6.9
85.02907	9.3
86.09702	27.1
91.05469	24.0
93.03407	3.2
93.07044	100.0
94.07365	1.6
95.04971	13.0
95.08609	5.2
97.02888	20.5
97.06511	1.9
99.04430	1.3
102.05532	1.9
103.05422	1.3
105.04504	1.5
105.07020	14.2
107.04965	1.3
107.08600	16.2
109.02888	1.7
109.06517	3.4
109.10169	3.8
110.05958	1.2
110.07180	1.4
111.04442	2.4
111.08082	4.1
114.21229	1.2
115.03945	8.7
116.06243	1.9
116.07074	2.6
116.51857	1.0
116.58801	0.9
117.07001	2.2
119.08566	8.1
120.08090	2.8
121.02843	1.2
121.06541	5.6
121.10143	88.7
122.10480	1.4
123.04393	2.6
123.08044	3.0
123.11690	3.6
127.03879	1.9
128.06233	1.1
129.06984	0.9
129.10234	2.2
130.05019	2.3
131.04909	1.9
131.08575	14.8
133.04922	1.6
133.10135	3.3
135.08049	1.2
136.07562	1.3
137.02341	2.2
137.05972	2.5
137.09569	2.4
138.06393	1.1
139.03900	2.6
139.11185	3.6
141.05450	2.3
143.08490	2.1
143.11824	1.7
145.02808	1.3
145.06499	2.0
145.10136	3.3
147.04410	2.1
147.07916	4.7
147.11641	1.6
149.09619	38.3
151.03955	1.2
157.13402	2.1
159.08017	2.0
163.03888	1.7
163.11218	2.6
165.09076	1.4
167.10661	3.5
171.11436	2.4
175.06099	1.4
177.05495	2.2
177.09103	4.8
186.07487	1.0
189.12401	1.2
191.10696	2.3
199.06023	1.1
201.07574	1.6
201.12277	1.3
215.10475	1.6
215.13953	2.1
217.12323	1.2
233.11858	1.3
235.13252	1.3
243.13483	1.7
247.12956	1.5
255.15610	1.1
263.12714	2.0
281.13828	31.1
285.18436	1.2
287.05484	3.6
298.87650	1.1
299.14951	6.3
303.04807	1.4
315.04865	1.6
407.56375	1.0
413.23871	1.5
431.10187	1.2
431.18335	2.5
431.24475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
53.10918	0.9
55.01859	2.5
55.05510	5.6
56.05014	0.9
57.03436	12.8
59.04987	1.4
61.02917	2.1
65.03936	1.8
67.05497	6.0
69.03428	45.7
69.07058	2.7
69.46323	7.4
70.06578	3.8
71.04986	2.2
72.08148	1.5
73.02918	18.2
75.04488	1.6
75.26688	0.9
79.05493	14.5
81.03423	5.2
81.07047	11.9
83.04996	2.2
83.08644	1.1
84.04496	1.5
84.08134	2.3
85.02911	10.5
86.09699	7.9
87.04474	4.3
91.05465	20.9
92.05830	1.0
93.07042	100.0
94.07387	0.8
95.04977	12.2
95.08606	6.2
97.02290	1.8
97.02892	31.1
97.06531	2.8
98.21497	1.8
99.04446	2.4
103.05463	1.3
105.04489	1.3
105.07034	11.1
106.07842	1.1
107.04950	1.5
107.08596	11.3
109.02856	1.8
109.06499	2.1
109.10137	3.2
111.04447	2.8
111.08068	6.7
113.05985	1.0
115.03925	11.6
116.06190	1.7
117.07059	1.0
119.04931	3.1
119.08594	6.5
120.08079	1.2
121.06512	6.3
121.10143	70.4
122.10496	1.3
123.04438	2.6
123.08075	2.1
123.11703	3.3
124.03921	4.8
127.03914	1.1
129.07028	1.7
131.08575	15.2
133.07613	1.2
133.10106	1.7
135.08026	1.4
135.11653	1.7
137.05963	1.3
137.09586	1.7
139.03932	1.5
139.11182	4.3
141.05560	1.1
145.10143	1.5
147.04376	13.1
147.08017	1.7
149.09613	28.3
151.11147	1.3
161.05907	0.9
161.09549	1.5
167.10672	4.0
171.06442	1.0
175.05989	2.7
177.09114	2.6
181.04941	0.9
187.11133	1.1
189.05893	0.9
189.07518	2.1
191.10568	1.3
201.07541	6.4
201.12625	1.0
203.64676	0.9
209.91347	1.0
233.11760	1.6
235.13223	1.5
243.16086	1.3
263.12762	1.3
268.08167	3.7
272.59039	1.1
281.13840	59.6
282.14157	2.0
283.15344	2.4
299.14819	9.5
302.04178	1.0
325.06967	1.2
361.02478	1.2
413.18341	1.8
431.05939	2.9
431.18607	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	431.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05502	2.5
55.83670	0.9
57.03458	1.1
57.07058	1.2
61.02892	1.2
67.05495	4.0
69.03427	3.1
69.07069	1.3
70.02956	1.7
70.06594	1.1
71.05005	1.0
71.33659	1.7
72.08154	2.1
74.02432	4.0
79.05486	2.2
81.03429	1.3
81.07056	4.1
83.04988	2.1
83.08621	1.4
84.08141	1.8
85.02905	2.5
87.00828	1.6
88.03995	1.3
91.05482	3.7
93.07053	9.0
94.06547	1.3
95.04962	3.5
95.08584	2.8
96.08132	1.5
97.02916	2.5
105.07019	3.4
106.06544	2.7
107.08582	4.1
109.10164	1.6
113.02379	1.1
115.05473	1.9
117.07003	1.6
118.06531	4.5
118.08691	1.5
119.08623	1.4
121.06481	1.1
121.10155	6.1
123.08052	1.5
129.06993	1.8
130.06528	12.3
130.08632	2.9
131.04918	1.7
131.08554	1.7
132.04472	1.6
132.08104	5.0
133.10054	1.0
135.07986	1.4
135.11671	1.1
139.03935	5.8
143.07292	1.2
143.08612	1.1
144.08067	2.6
146.06001	22.4
147.07996	1.3
148.07538	1.1
149.09639	3.1
150.12773	2.2
153.01839	2.5
154.06508	3.8
155.07286	2.4
156.08089	1.6
157.07608	13.3
158.06030	9.9
158.08400	4.6
158.09665	10.4
159.09212	4.9
159.11684	1.5
160.07591	3.4
160.11206	9.2
165.06993	1.2
167.07245	5.8
168.08095	8.1
169.07625	15.1
169.08919	2.4
170.06078	1.7
170.08398	10.4
170.09694	2.6
171.06683	1.2
171.09189	4.6
172.11209	3.0
173.08379	1.5
174.12750	5.7
175.08698	1.3
181.08661	9.4
182.08321	7.3
182.09793	1.3
183.06804	3.0
183.09174	3.3
184.09868	1.3
184.11240	20.8
185.07120	4.0
186.07776	2.3
186.09174	12.2
188.07086	5.2
188.10686	9.0
194.09677	2.0
196.09810	1.0
196.11269	13.3
198.12796	1.9
201.13826	2.7
202.07425	1.2
202.12277	7.9
203.08144	26.3
211.12320	14.7
212.10733	10.2
212.13019	4.0
213.13875	25.1
214.12285	2.1
215.08083	1.5
229.13362	28.9
230.11633	2.0
231.14935	3.5
239.11882	2.7
240.10211	2.3
242.10526	1.3
257.12842	38.0
258.13437	1.9
274.09543	2.2
275.13901	100.0
276.14240	3.3
281.13751	1.3
367.16394	1.9
383.16040	18.4
395.15994	7.3
413.11523	1.9
413.17081	39.0
414.17328	2.2
431.07764	6.0
431.18268	4.7
432.18491	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01854	2.9
55.05508	4.1
56.05030	7.4
57.03430	4.2
57.07063	2.5
58.06599	2.6
60.04522	3.4
61.02913	3.5
67.05508	6.3
69.03428	9.1
69.07056	3.1
70.06593	16.7
71.04970	2.4
72.08150	11.2
72.97758	2.1
73.02931	2.8
79.05495	6.3
80.05845	2.9
81.03432	9.8
81.07054	3.5
82.06543	2.6
83.04989	4.0
84.04491	6.4
84.08153	13.2
85.02907	14.6
86.09702	21.2
88.04005	2.3
91.05447	5.1
91.54087	2.2
92.43431	2.1
93.07049	9.2
95.04984	7.1
95.08602	13.6
96.08099	2.7
97.02893	7.2
97.06529	3.7
98.06068	5.4
98.09703	5.6
99.04517	3.8
100.22231	2.1
105.07032	4.5
107.04936	3.3
107.08604	9.3
108.08118	100.0
109.02897	3.2
109.06518	6.5
111.04472	3.0
111.08132	3.1
112.07599	3.4
112.08746	3.5
113.05954	2.9
116.07098	3.1
117.06982	3.7
119.04990	2.8
119.08597	8.8
121.10154	8.7
123.08047	10.6
125.10898	2.2
126.09162	4.5
127.03942	3.9
130.05052	5.1
131.08519	4.1
133.10143	7.1
134.09619	4.1
135.08069	4.7
136.07530	3.2
137.05963	2.9
145.02782	2.5
145.10136	6.4
147.04449	3.7
147.07710	3.9
147.11639	3.1
148.11189	5.1
149.09633	12.5
150.12816	7.1
153.08942	2.3
161.08379	12.5
161.13284	5.0
162.12804	7.4
163.11148	3.5
164.10571	2.7
173.13301	3.1
176.10709	58.9
177.05511	8.3
180.13818	2.2
189.12733	7.5
190.12259	3.8
190.15947	3.8
191.14336	4.6
204.08698	3.1
206.10295	5.2
206.15402	3.2
207.13791	16.7
225.12480	2.2
232.16942	20.9
233.15440	5.0
236.13429	2.4
250.18019	40.1
268.19073	8.6
315.05045	5.5
356.16910	5.2
372.32721	2.2
412.23248	9.0
430.24918	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	430.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.8
56.96571	2.5
57.03421	11.1
58.99131	2.4
59.70599	2.1
61.02909	7.9
66.15659	2.9
69.03431	13.5
70.06600	20.5
70.10642	6.0
70.11057	8.4
71.04993	2.7
72.08147	3.6
73.02910	9.4
81.03413	9.4
84.04501	5.2
84.08137	7.7
85.02903	100.0
86.09685	10.3
88.35419	2.6
91.03926	7.3
91.05830	18.7
95.01328	26.0
97.02897	26.6
98.21447	3.3
98.98502	2.4
99.00787	3.2
99.04457	3.7
103.03880	2.5
108.99197	2.2
109.02875	7.0
111.06426	2.6
117.09148	5.5
127.03911	28.6
128.69760	2.4
141.01833	64.6
145.04958	56.2
156.06401	3.0
159.02895	10.0
163.05991	21.8
167.05537	4.9
168.05463	2.9
175.09698	6.1
219.12299	10.5
321.07785	3.3
360.02859	8.6
361.02728	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	430.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01854	2.9
55.05508	4.1
56.05030	7.4
57.03430	4.2
57.07063	2.5
58.06599	2.6
60.04522	3.4
61.02913	3.5
67.05508	6.3
69.03428	9.1
69.07056	3.1
70.06593	16.7
71.04970	2.4
72.08150	11.2
72.97758	2.1
73.02931	2.8
79.05495	6.3
80.05845	2.9
81.03432	9.8
81.07054	3.5
82.06543	2.6
83.04989	4.0
84.04491	6.4
84.08153	13.2
85.02907	14.6
86.09702	21.2
88.04005	2.3
91.05447	5.1
91.54087	2.2
92.43431	2.1
93.07049	9.2
95.04984	7.1
95.08602	13.6
96.08099	2.7
97.02893	7.2
97.06529	3.7
98.06068	5.4
98.09703	5.6
99.04517	3.8
100.22231	2.1
105.07032	4.5
107.04936	3.3
107.08604	9.3
108.08118	100.0
109.02897	3.2
109.06518	6.5
111.04472	3.0
111.08132	3.1
112.07599	3.4
112.08746	3.5
113.05954	2.9
116.07098	3.1
117.06982	3.7
119.04990	2.8
119.08597	8.8
121.10154	8.7
123.08047	10.6
125.10898	2.2
126.09162	4.5
127.03942	3.9
130.05052	5.1
131.08519	4.1
133.10143	7.1
134.09619	4.1
135.08069	4.7
136.07530	3.2
137.05963	2.9
145.02782	2.5
145.10136	6.4
147.04449	3.7
147.07710	3.9
147.11639	3.1
148.11189	5.1
149.09633	12.5
150.12816	7.1
153.08942	2.3
161.08379	12.5
161.13284	5.0
162.12804	7.4
163.11148	3.5
164.10571	2.7
173.13301	3.1
176.10709	58.9
177.05511	8.3
180.13818	2.2
189.12733	7.5
190.12259	3.8
190.15947	3.8
191.14336	4.6
204.08698	3.1
206.10295	5.2
206.15402	3.2
207.13791	16.7
225.12480	2.2
232.16942	20.9
233.15440	5.0
236.13429	2.4
250.18019	40.1
268.19073	8.6
315.05045	5.5
356.16910	5.2
372.32721	2.2
412.23248	9.0
430.24918	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	430.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01863	2.6
55.05505	3.0
58.29451	1.6
63.95369	1.6
64.64641	1.4
67.05501	4.2
69.03416	4.5
69.07031	1.5
69.84426	9.2
70.06560	1.5
70.53648	1.4
71.04977	2.2
72.08135	2.9
73.02922	2.7
76.59842	1.4
79.05491	3.0
81.03404	4.6
81.07040	4.6
84.08115	3.4
85.02905	18.9
86.09666	2.4
87.00811	5.3
87.01376	1.6
93.07027	5.9
95.04984	1.7
95.08583	2.4
97.02886	6.8
99.04455	1.7
105.01849	4.8
105.07029	3.3
107.08593	4.2
109.02875	5.3
116.33792	1.5
119.08556	2.0
121.10128	3.8
127.03925	12.7
130.08630	1.6
137.05977	3.5
140.04950	4.8
145.04964	6.1
149.09619	1.9
154.06532	1.8
155.06017	20.6
159.02890	4.9
163.11177	1.8
167.06029	5.2
168.06816	4.1
169.07600	44.0
170.05983	5.0
170.88177	1.5
174.65904	1.6
179.06062	11.5
181.07584	2.9
182.06023	2.1
183.05511	19.8
183.09149	2.4
184.07538	1.9
185.07092	11.5
193.07588	16.2
195.05511	27.2
196.06326	13.1
197.07100	33.3
198.05447	6.1
207.05530	8.1
208.06351	3.3
209.07120	4.5
210.07759	1.6
211.05063	2.1
211.08652	6.8
213.06599	26.7
221.07063	20.6
223.05037	4.0
225.06566	55.5
228.10493	2.9
229.06084	23.5
231.04918	1.6
237.06610	5.6
238.07382	6.4
239.04500	3.6
239.08150	30.9
241.06059	2.0
243.07631	9.4
249.06593	9.3
253.06114	5.5
255.07446	1.8
257.05557	7.6
265.06058	2.8
267.07596	20.0
269.05453	3.6
271.07111	41.2
277.06110	12.3
283.07245	3.1
285.08716	34.4
287.05447	12.6
291.19519	2.0
295.07111	43.6
313.08145	38.4
324.13361	14.4
331.09317	7.7
348.13553	2.6
355.12894	2.5
366.14481	24.2
370.13953	61.9
371.14240	2.3
384.15552	45.4
412.14978	47.8
412.20471	2.6
430.16064	100.0
448.61780	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05505	3.6
57.07068	16.0
67.05505	5.8
69.07081	3.7
71.08630	9.6
71.13085	3.8
72.61893	1.5
81.07059	8.3
83.08608	2.4
85.10175	6.8
91.05801	6.6
95.08602	5.8
97.10160	1.8
102.02412	1.8
105.07026	3.6
107.08578	4.3
109.10143	5.3
119.08592	4.2
121.10156	4.1
122.07335	1.9
123.52593	1.8
127.92632	1.6
131.08545	2.5
135.08084	3.9
135.11746	2.4
137.09642	8.5
149.09642	14.0
151.07545	2.4
159.11740	2.1
163.11179	19.1
165.09105	100.0
175.11208	2.7
177.09108	11.5
185.88281	1.7
187.11232	4.0
191.10652	9.8
191.14247	2.0
192.53442	1.7
201.49252	1.6
205.12222	9.4
215.14333	2.5
219.13840	7.2
233.15355	3.2
283.90958	1.8
319.44040	1.9
320.91095	1.7
401.12039	1.6
411.36258	2.6
429.31870	4.1
429.37280	25.4
430.37729	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	429.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67660	0.9
53.03933	1.2
53.70959	1.1
54.03044	0.9
55.05502	3.6
57.03428	5.9
57.07061	1.8
59.63987	0.9
65.03920	1.1
67.05492	12.1
69.03439	1.7
69.07060	4.2
71.04992	0.8
71.08636	1.6
71.59077	1.4
79.05496	11.8
81.07048	13.7
83.04995	1.6
83.08624	1.7
85.06532	1.5
89.94146	1.0
91.05396	7.7
93.07040	16.5
95.04945	2.5
95.08611	7.3
97.02885	1.5
97.06512	1.1
99.08047	1.2
105.07029	5.2
107.08594	8.9
109.06456	1.2
109.10162	4.0
113.00013	100.0
117.07037	4.0
119.08578	5.1
121.10122	9.3
123.08128	1.2
123.11720	1.5
131.01041	1.6
131.08563	6.6
133.10173	3.5
135.08055	2.8
135.11678	5.9
136.06169	1.0
137.13310	1.1
145.10139	5.3
147.11681	2.1
149.02370	2.4
149.09590	6.0
149.13246	4.0
157.10133	1.7
159.11705	2.9
161.13235	1.8
163.11160	2.2
163.14792	3.4
167.05557	1.3
169.02609	73.0
170.03084	1.4
173.13255	2.4
177.16394	2.0
187.14873	2.1
193.04965	2.3
201.16331	1.2
233.22694	2.4
237.07616	1.1
243.21133	10.4
261.22137	31.5
262.22351	1.2
280.66589	1.0
316.29294	1.2
359.02795	2.4
378.26660	1.1
425.15466	1.0
429.11780	2.4
452.95532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99205	0.6
55.05504	3.0
57.03434	5.8
57.04400	0.6
57.07069	0.9
60.08161	1.3
67.05503	11.0
67.84741	0.6
69.07067	2.6
70.31860	2.0
79.05494	8.1
79.17600	0.6
81.03411	1.1
81.07055	11.5
83.08630	1.8
84.08143	2.5
85.02881	0.9
86.09712	4.8
91.05401	3.7
93.07045	11.6
95.04996	1.7
95.08600	8.4
97.02865	0.8
97.10158	1.2
98.98470	1.9
105.07018	4.4
107.08588	7.7
109.10152	3.7
113.00016	100.0
117.07036	2.5
119.08584	2.8
121.10149	7.3
123.08071	0.7
123.11691	1.4
125.00015	3.2
131.01019	1.1
131.08551	4.1
133.10110	2.0
135.08073	0.8
135.11676	5.7
137.13306	1.8
139.01505	0.7
145.10114	3.7
147.11685	2.7
149.02371	0.8
149.09525	0.9
149.13266	4.9
151.14832	0.7
152.05676	6.2
153.04079	1.5
154.02657	1.0
155.01102	0.9
159.11714	3.4
161.13214	1.7
163.11137	1.0
163.14822	2.8
169.02608	84.7
170.02896	1.0
173.13269	2.9
175.11034	0.6
175.14777	1.0
177.12679	0.7
177.16344	1.4
181.92050	0.7
184.07350	11.4
187.14822	1.3
193.05042	0.7
211.13277	1.1
233.22687	1.1
243.21103	5.8
261.22162	19.8
429.24088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22804	1.8
53.03934	6.4
55.01861	4.7
55.05508	14.6
55.90128	1.5
57.03438	17.3
57.71883	1.5
60.70032	1.6
61.02947	1.7
67.05505	17.9
67.92484	1.5
69.03435	30.3
69.07063	5.3
69.98460	6.7
69.98872	2.8
71.01312	2.6
71.04980	7.7
73.02911	2.8
76.01691	1.6
79.05489	20.4
81.03417	82.1
81.07050	21.5
83.04986	16.5
83.08614	22.3
85.02911	26.4
85.06529	1.7
91.05462	20.8
93.07031	16.3
95.04960	24.8
95.08604	5.4
97.02892	51.4
97.06519	4.2
97.10146	4.3
98.21385	1.9
99.04443	5.7
105.07033	16.0
106.43877	2.0
107.04939	5.5
107.08596	11.2
109.02874	14.2
109.06503	4.2
109.10136	4.9
111.04435	7.6
111.08083	9.2
113.05989	1.9
119.08583	18.2
121.06488	2.2
121.10115	11.1
122.10403	1.7
123.04401	2.5
123.08034	3.6
125.49954	1.5
127.03930	11.4
129.05460	5.7
129.06973	9.7
131.08586	8.9
133.10130	6.0
135.08061	2.3
145.04878	1.6
145.10121	2.8
147.08035	3.2
147.11687	15.3
149.09607	7.6
155.08577	2.0
157.10170	14.2
163.11197	3.8
165.12727	2.6
165.45438	1.6
170.62082	1.7
175.11197	13.4
181.12343	3.1
191.10719	2.7
193.12241	65.4
209.11682	1.8
211.13283	100.0
227.12738	4.2
229.14410	3.4
235.13309	2.7
249.14883	7.0
267.15723	1.7
277.23563	1.6
285.17032	17.2
335.95975	1.9
355.17621	4.4
359.02695	2.6
382.02399	2.0
411.19894	3.7
429.21179	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	428.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85424	2.1
55.05506	22.9
56.05023	3.8
57.07073	28.9
58.06597	5.9
60.04522	35.9
66.35264	2.5
67.05492	7.8
69.07051	5.6
69.37530	22.5
74.06081	29.3
77.14423	2.2
78.32897	2.2
79.05490	5.5
81.03426	2.9
81.07042	8.8
83.08613	6.5
86.06066	9.8
87.08105	100.0
88.07633	31.3
93.07039	6.3
93.17091	2.4
93.97269	2.6
95.08597	6.7
95.57024	2.2
98.21526	4.9
102.09119	2.4
105.07046	4.2
106.92860	3.3
109.10148	3.6
120.10100	2.4
121.10094	3.8
133.67369	2.6
135.11743	3.1
142.12259	15.1
147.06201	2.4
154.36197	2.2
167.05576	3.0
174.14934	19.6
184.07385	2.9
280.26331	4.5
298.27420	7.0
324.29044	7.6
342.30054	13.4
360.32581	3.2
378.33841	2.6
396.34726	24.4
428.37393	95.6
429.31525	2.6
429.37445	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	428.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	22.0
56.05025	4.1
57.07073	23.4
58.06585	4.2
60.04525	31.3
67.05487	5.0
68.05020	1.6
69.07061	2.6
69.24491	13.4
72.04509	3.1
74.06078	28.4
76.26275	1.1
79.05475	3.4
81.03432	1.4
81.07061	6.9
82.06577	1.4
83.08623	6.2
84.08150	1.3
86.06068	6.9
87.08105	100.0
88.07629	30.5
91.05364	1.4
91.05854	1.5
93.07015	3.2
95.08607	5.6
97.10204	1.4
100.07610	1.6
101.09672	1.7
105.07082	1.6
109.10146	2.3
119.08639	1.1
121.10107	2.1
142.12279	15.9
167.05569	1.2
174.14894	18.4
222.61101	1.4
280.26465	5.7
298.27319	6.6
306.27704	3.0
319.29898	1.5
324.28894	8.6
342.30017	12.9
363.25278	1.2
377.42334	1.4
378.33823	1.7
396.34756	24.4
397.70370	1.2
428.37360	79.6
429.37558	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	428.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
55.01860	4.0
55.05511	8.0
56.05035	24.2
57.03415	6.2
58.06596	11.2
59.05005	3.1
61.02919	7.1
67.05501	15.8
67.80759	2.8
69.03432	22.5
69.07057	3.5
70.06593	11.4
70.83497	7.9
71.05011	3.8
72.08160	19.9
73.02897	4.6
74.06090	3.2
79.05512	6.8
81.03424	8.8
81.07047	8.6
82.06590	4.4
83.04993	13.1
84.04501	7.4
84.08142	16.2
85.02905	31.2
85.06538	6.9
85.08435	3.0
85.61202	3.1
86.06049	5.9
86.09705	4.5
91.05483	9.8
93.07043	15.6
94.06571	4.8
95.04974	9.5
95.08610	20.1
96.04527	4.1
96.08125	13.7
97.02882	17.7
97.06536	6.0
98.06054	12.9
98.09698	6.5
99.04453	3.5
100.07616	10.9
105.07039	14.3
107.08590	11.4
108.08112	8.3
109.02860	6.9
109.06535	6.1
110.06043	9.6
112.07648	3.9
112.11298	5.9
113.02374	4.4
117.03387	9.9
117.07004	4.1
119.08586	22.6
120.08119	25.6
121.06486	18.5
121.10155	8.5
122.09807	3.1
123.04429	6.6
123.08072	18.5
124.07596	23.8
126.05517	7.9
127.03888	8.1
128.07166	3.0
129.07021	4.5
131.08554	7.9
133.06496	4.1
133.10144	8.5
135.08069	9.6
135.11691	3.5
137.06015	3.1
142.07793	3.7
145.02850	42.1
145.04977	3.5
145.10121	8.8
146.09645	5.7
147.08061	8.4
147.11700	6.3
148.07596	4.1
148.11189	3.7
149.05988	10.9
149.09660	12.2
151.07611	4.0
153.09087	5.3
156.06657	3.7
159.08070	5.2
159.11690	8.2
159.21690	2.8
161.09648	9.0
161.13278	6.6
162.09169	9.1
163.11189	8.6
167.07124	3.2
169.13496	3.1
171.11676	6.6
173.09613	4.6
174.09160	8.0
176.10748	6.0
177.05464	100.0
177.12846	6.2
178.05733	3.5
186.07582	16.5
187.06094	3.4
187.11218	7.2
188.10706	4.5
188.14311	3.3
189.12762	16.5
191.10739	7.1
203.14360	3.3
204.08655	35.1
204.13824	15.0
205.12299	7.2
206.15424	4.8
207.13763	14.5
222.09715	4.8
222.14909	4.0
230.15276	18.7
231.13820	8.2
248.13895	5.7
248.16463	96.9
249.14859	3.0
252.42627	3.2
259.04013	2.9
266.13919	27.6
266.17526	27.9
301.14520	3.4
345.49246	3.1
403.66473	3.4
410.21732	32.9
427.39728	5.0
428.23349	18.8
428.40414	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	428.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42531	0.4
50.65671	0.4
55.01859	0.5
56.05032	0.5
56.81652	0.4
56.96563	0.7
57.03408	0.6
61.02921	0.5
69.03416	1.2
70.06581	1.9
71.34722	1.0
72.02027	0.6
72.08157	12.8
73.02895	0.4
79.05491	0.6
80.76818	0.4
81.03410	1.7
81.07069	0.4
84.00232	0.4
84.08145	2.0
85.02901	4.0
86.09683	1.1
89.03925	3.2
90.09179	0.7
91.05469	0.9
93.07009	0.6
95.04958	1.4
95.08591	0.7
97.02863	1.4
98.09700	0.5
98.97587	0.6
100.07615	1.8
105.03421	2.7
107.04913	0.7
107.10130	0.4
109.02865	0.5
109.06557	0.8
109.27201	0.4
117.03381	12.2
118.03666	0.8
119.08607	0.5
121.10127	0.9
122.48433	0.5
123.04435	0.8
127.03932	0.8
129.10255	1.0
131.00111	0.6
134.03615	1.1
135.04395	1.4
136.06174	0.7
145.02846	45.0
146.03227	2.9
147.04382	0.6
149.05989	4.8
149.09700	0.7
151.11241	0.5
152.05675	0.9
162.23572	0.5
163.03906	0.6
169.13364	0.9
177.05470	100.0
178.05820	6.0
186.05507	0.5
186.99159	1.5
189.12819	0.6
197.01161	0.9
215.02135	0.6
235.13327	0.5
246.66518	0.5
248.16521	1.0
266.13876	20.4
267.14301	0.6
359.02673	0.5
375.18045	0.6
428.22797	0.8
428.40396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
53.81469	1.6
55.01863	3.8
55.05500	5.0
55.84511	1.6
57.03426	4.6
57.07061	10.5
58.58842	1.2
59.05004	1.5
61.02912	2.4
61.31161	1.3
69.03426	11.5
70.06620	1.4
70.26500	7.4
71.04974	2.5
73.02909	4.9
79.05467	1.3
81.03429	13.1
83.08600	4.0
84.08108	1.5
85.02900	36.3
87.00825	14.9
89.06030	31.1
91.03948	2.2
95.04959	2.0
97.02896	16.0
98.21581	2.0
99.04462	5.5
101.09652	12.5
105.01860	10.7
107.07069	35.5
109.02872	15.5
117.01856	1.9
127.03911	24.6
145.04945	8.9
147.02834	1.3
159.02841	7.1
163.13286	100.0
164.13675	2.3
166.81464	1.4
191.96136	1.5
213.03908	3.0
215.42398	1.4
231.05016	2.6
235.55730	1.4
276.12274	10.5
303.04974	2.0
428.40524	1.8
429.20581	1.9
438.96338	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.92640	0.5
55.01859	0.6
55.05495	1.2
57.03416	1.7
58.61993	0.5
61.02915	1.8
64.78786	0.6
65.26899	0.5
67.05496	1.3
69.03416	2.4
70.06593	6.6
71.00220	0.5
71.01305	0.6
71.57360	0.6
71.57734	0.9
72.07807	0.7
72.08156	9.9
73.02904	1.2
79.05482	1.8
81.03411	3.8
81.07048	1.2
83.04974	0.9
84.04503	1.2
84.08151	6.7
85.00982	0.5
85.02922	3.8
86.09696	3.8
89.03918	3.9
90.09174	2.4
91.05439	1.6
93.07011	1.5
95.04951	4.2
95.08601	0.7
97.02866	3.0
98.09676	2.3
99.08028	0.6
99.09968	0.7
100.07610	5.6
101.07949	0.8
102.05544	0.7
103.03961	0.8
105.07013	1.2
107.04933	1.2
107.08607	1.2
109.02875	1.4
110.06090	0.5
110.07113	1.0
112.11214	1.5
117.03376	14.1
117.07034	0.6
119.04968	0.9
119.08582	1.6
120.08111	0.9
121.06524	0.5
123.04430	2.4
123.08008	0.8
123.68875	0.6
127.03933	1.2
129.10237	1.0
129.13853	0.6
131.08557	0.7
134.03592	0.9
135.04437	1.2
135.11670	0.7
136.06198	1.3
137.05963	0.9
145.02838	44.5
145.10030	0.7
146.03195	1.3
147.04370	1.2
149.05975	4.2
149.09642	0.7
152.05733	1.1
161.06012	0.8
163.03932	1.0
163.11153	0.9
165.05472	0.6
167.05521	0.7
169.13367	1.5
171.14932	0.9
172.15266	0.6
173.09381	0.6
177.05470	100.0
178.05855	3.2
179.03305	0.7
180.03796	0.6
180.13820	0.5
181.04976	0.6
189.12779	0.6
193.12193	0.7
234.13570	0.7
235.13316	2.2
248.12671	0.7
254.17625	1.0
256.19189	1.8
259.13318	0.7
263.95865	0.7
266.13879	16.9
273.14886	0.9
277.08612	0.7
299.10403	1.3
301.14349	1.0
309.17062	1.1
326.10718	0.7
359.03046	1.0
410.21710	0.8
427.39966	3.1
428.14114	3.4
428.23123	1.4
428.40244	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	427.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12595	0.3
55.05502	1.0
56.05045	0.3
57.05835	0.4
57.06456	0.3
57.07067	0.7
58.06586	0.5
67.05509	0.8
67.63265	0.3
69.03422	0.4
69.07066	7.3
71.58256	0.5
73.06535	1.9
74.42588	0.3
78.33770	0.3
79.05495	0.3
81.03416	0.5
81.07050	0.8
83.04979	0.4
84.08137	1.1
84.73145	0.4
85.02897	0.4
86.09702	100.0
87.10029	1.0
93.07027	0.7
95.08619	0.7
97.02887	0.4
100.07615	0.6
105.07011	0.4
109.10117	0.3
112.07603	0.8
112.11240	0.4
119.08626	0.3
121.10129	0.7
130.08603	0.3
131.08504	0.3
168.13852	1.1
175.32138	0.3
184.07362	1.2
186.14882	83.1
187.15279	1.6
206.38533	0.3
214.14369	31.2
215.14742	0.9
233.07576	0.3
241.35678	0.3
264.91632	0.3
295.15369	0.3
299.23306	0.7
314.19589	10.3
399.28534	4.7
401.54419	0.3
427.28363	0.6
427.40088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	4.2
55.05513	63.9
57.03441	28.3
57.07071	66.4
67.05506	44.9
69.03397	3.5
69.07069	79.5
70.84186	7.2
70.84583	7.5
71.04980	5.6
71.08633	40.8
79.05498	23.6
80.00221	3.0
81.07059	83.1
83.04957	5.1
83.08617	58.3
85.10192	20.6
86.09702	4.0
91.05456	6.3
93.07030	37.7
95.08051	6.9
95.08606	76.1
97.02881	4.9
97.06522	20.5
97.10168	34.4
99.04493	3.8
99.11756	4.2
105.06987	7.2
105.97347	3.6
107.07897	4.1
107.08594	25.7
109.10145	34.8
111.08070	8.3
111.11713	12.2
116.48662	3.3
119.08593	5.8
121.10147	41.2
123.11698	24.0
125.09630	13.1
125.13304	5.3
128.04524	3.4
133.10130	5.3
135.11707	28.3
137.13286	6.9
139.11169	14.7
149.13249	17.8
151.14851	4.7
153.12787	10.3
153.95265	4.3
157.12331	4.3
163.14778	7.9
167.14317	7.9
169.48050	4.4
171.13957	4.6
175.14792	4.1
177.16368	7.6
181.15912	3.9
184.07208	5.3
205.19615	4.5
223.20502	4.7
243.02931	4.3
255.87436	3.7
289.28915	10.1
307.29944	17.7
317.28442	11.5
335.29434	37.5
353.30423	6.0
371.31522	41.5
409.33066	12.4
422.52133	3.6
427.34308	100.0
428.34460	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	427.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08968	0.6
53.03945	0.6
55.01860	1.4
55.05496	2.2
57.03433	7.0
57.38084	0.4
58.03766	1.2
59.04990	0.6
61.02923	3.0
65.03944	0.5
65.04285	0.5
67.05493	2.0
69.03427	15.8
69.07071	0.6
69.85586	3.2
70.03756	1.4
70.06570	0.9
71.01354	2.9
71.04998	4.4
72.04511	1.9
73.02916	16.4
74.03249	2.4
75.04454	0.7
79.05492	3.7
81.03410	1.2
81.07055	2.3
82.03821	0.5
83.04973	5.7
84.04501	1.1
84.08131	2.5
85.02903	11.9
86.03229	0.9
86.09719	0.5
87.34081	0.5
91.05485	4.6
93.07041	15.8
94.07399	0.5
95.04968	4.2
95.08597	2.0
97.02888	13.9
97.03519	0.8
98.03211	3.0
99.04453	1.1
100.07607	2.0
102.96717	0.5
103.03982	0.5
105.07043	4.5
107.08619	2.4
109.06509	1.6
111.04446	5.2
115.03927	7.3
116.04247	2.5
117.07028	1.1
119.08554	3.1
121.06501	1.4
121.10141	13.5
123.08067	1.2
126.05486	0.8
127.03922	0.6
129.05479	3.8
131.08545	2.4
133.04982	1.8
133.10109	0.9
133.26585	0.5
135.08072	1.6
139.03957	0.6
144.06558	1.0
145.10144	1.2
147.08049	0.9
149.09622	4.3
157.10095	0.7
157.68456	0.5
159.08090	0.9
159.11647	0.7
161.09569	1.1
162.07613	15.3
163.07968	7.7
163.11008	0.6
165.09108	0.5
167.07019	0.8
167.10670	2.2
169.13419	0.6
181.08621	0.5
189.09071	0.8
191.10725	0.9
204.08737	1.1
205.08940	0.9
211.05887	0.7
212.06374	1.6
230.07454	0.7
237.30145	0.5
259.10120	1.6
276.10782	1.3
277.11240	2.3
278.11102	0.6
281.13800	0.6
294.11780	3.5
295.12143	6.5
295.15564	2.3
296.12375	0.8
302.13513	0.5
323.00781	0.5
326.83075	0.5
327.17807	0.5
353.06689	0.6
358.80426	0.5
409.27539	0.6
427.16745	3.5
427.26666	100.0
427.39438	2.0
428.17468	0.6
428.27029	6.2
445.51608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05506	2.2
55.89202	0.9
56.96561	2.4
57.03416	1.0
60.05648	4.4
61.02914	0.9
65.95409	0.8
68.27219	0.9
69.03412	1.2
70.06593	4.6
70.53333	3.0
72.08159	28.4
73.06421	0.9
84.08138	2.4
84.96041	1.2
85.02914	4.1
86.07173	1.4
86.09679	0.9
87.07970	2.5
88.36385	0.9
91.05467	1.4
93.03407	3.4
95.01321	2.8
97.02888	2.0
97.07654	6.5
98.06060	7.6
98.97587	4.5
100.08761	2.3
105.07040	1.4
107.04949	3.5
109.02903	1.0
112.99141	1.6
114.09122	2.3
114.10292	23.5
115.08679	4.8
116.98634	2.4
117.06943	0.8
119.01891	1.1
119.04944	14.1
121.02873	2.2
121.06507	2.4
122.07148	1.7
123.04433	2.3
131.00188	1.7
131.04913	1.4
131.12912	9.7
133.06499	6.4
134.99638	1.3
136.06248	1.3
136.91783	0.8
140.08185	2.1
141.06961	1.2
145.06485	5.3
147.04402	26.6
148.04672	0.8
149.01216	2.3
149.05986	1.5
156.11343	0.8
157.06508	1.9
157.10855	5.4
159.04327	1.0
159.08081	2.1
161.01318	0.8
161.06007	4.3
163.02739	1.2
165.05486	0.8
169.06473	1.2
171.08139	2.1
173.05989	5.4
175.46025	0.7
177.00694	1.0
177.05507	2.5
181.06361	0.7
185.06036	1.1
187.02751	1.3
187.07530	5.4
188.07071	1.7
189.05522	6.3
190.08707	1.0
197.05952	6.7
199.07578	5.0
201.05556	2.7
213.05521	3.2
215.07027	10.8
217.08592	1.7
217.13412	3.1
218.11888	1.3
219.06474	1.1
223.04922	2.2
225.05522	1.4
227.11812	1.2
230.11920	1.6
233.08098	0.8
235.14551	0.9
237.02933	1.5
241.13271	0.9
242.08113	1.3
243.06541	9.7
245.03281	0.9
259.14560	1.8
260.09332	0.9
260.13367	3.7
261.07629	1.1
272.13950	1.1
278.13892	0.9
284.13867	1.1
295.14398	1.1
296.12943	2.1
296.56702	0.8
298.07458	0.9
302.14981	2.2
303.40076	1.0
314.13785	1.3
319.17667	6.4
326.15054	1.1
332.14877	1.6
337.18753	9.0
338.15182	1.2
344.15930	1.9
356.15976	1.1
367.09076	4.7
373.18802	1.3
374.17386	1.0
385.10144	1.2
391.19556	4.9
409.20847	22.8
410.21216	1.1
427.21906	100.0
428.22202	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	427.175
Annotation	11-Hydroxy-1-isomangostin
Peak:m/z	Relative Intensity
53.97672	2.4
55.01852	3.7
57.03405	2.5
63.37207	2.1
67.05484	6.9
69.03416	4.8
69.96742	5.2
69.97149	8.3
70.03751	2.8
70.06567	9.5
72.08125	4.5
73.02908	2.3
79.05477	13.2
81.03397	4.0
81.07035	5.3
83.04943	2.9
84.04453	3.0
84.08125	15.0
85.02879	5.7
86.09697	4.1
87.79575	2.2
91.05450	9.2
93.07015	6.9
95.04945	8.6
97.02890	6.4
98.09666	7.8
98.20834	3.3
100.07606	13.4
103.05443	5.6
105.07028	6.2
107.04948	22.3
112.11214	3.7
115.05431	3.7
116.06314	2.2
119.04895	3.5
120.08079	5.6
121.06471	7.4
123.04412	6.6
124.05173	6.0
128.06194	5.2
129.06979	8.2
129.13885	2.8
131.04895	4.3
131.08540	9.1
133.06415	3.0
137.05995	2.8
138.28099	2.3
141.06950	4.4
142.07707	4.3
143.08504	3.1
144.05692	3.6
145.06523	4.2
145.10107	2.5
146.07236	2.5
147.04433	3.3
147.07883	2.9
149.05994	4.0
153.06990	2.9
155.08525	6.9
157.06482	4.1
158.07179	3.5
159.08012	5.7
161.05939	7.5
163.07654	2.2
165.06990	6.2
166.06255	2.5
167.07051	62.3
167.08414	5.0
169.06461	4.6
169.13382	4.4
170.07353	3.5
171.08020	6.7
171.14919	2.6
172.08824	3.6
177.05376	2.5
179.07018	3.4
181.06387	4.3
182.07289	10.9
183.08060	5.1
184.05215	3.5
185.06018	3.1
185.09602	14.9
186.06764	4.1
187.07545	7.3
187.11209	5.7
191.06998	11.3
194.07224	3.8
197.05939	2.6
197.09544	4.9
198.06746	31.0
199.07542	12.7
200.08237	4.0
201.09042	4.0
207.52286	2.6
210.06735	4.0
211.07544	4.2
213.09076	43.5
214.21687	3.8
215.10689	14.4
218.07245	2.3
219.08206	2.9
224.08060	2.5
225.09099	10.8
231.08086	3.4
232.08803	4.5
233.09621	4.1
243.10048	12.3
247.07402	2.8
248.08319	3.6
255.10272	3.9
258.10364	3.3
259.83679	2.3
260.08270	3.6
261.09131	5.7
263.07321	2.4
263.10599	2.6
265.08282	3.1
266.09369	2.6
273.11371	2.7
275.10510	3.8
276.07990	2.8
279.09991	3.1
281.08340	2.4
288.07492	2.2
289.08499	5.2
290.09311	2.7
291.10031	5.7
292.06952	2.9
293.08136	3.6
293.11423	2.4
294.08984	2.8
295.09439	3.3
301.08499	3.8
303.10065	8.4
304.07431	3.1
305.08185	3.7
305.11551	4.0
306.08701	6.1
307.09647	11.1
308.06659	3.4
309.07581	2.2
311.09048	3.2
313.10645	5.9
315.10190	4.2
317.11658	4.5
318.08868	3.0
319.09702	12.5
319.12918	3.0
320.10501	2.7
321.11145	9.7
322.08429	3.9
323.09351	17.8
323.12704	3.3
324.09879	3.3
325.10706	4.8
331.09592	3.7
333.10931	4.7
335.09100	5.3
335.12827	9.0
336.09778	4.3
337.10681	11.7
338.11212	13.5
339.12167	8.8
347.12769	2.8
349.10724	5.3
350.11469	4.7
351.12241	12.7
352.12518	3.2
353.13739	8.8
354.14575	7.1
355.11731	18.6
363.12241	12.5
365.13745	12.2
367.15442	4.7
369.13297	14.0
376.13098	2.7
379.15427	4.4
381.13403	5.0
383.14648	9.8
383.19141	3.0
384.15646	100.0
385.16171	3.4
395.14877	5.9
396.15695	4.3
397.16510	4.0
409.11624	2.7
409.16498	37.9
427.17487	80.5
427.39883	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	426.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
56.05020	1.1
57.03437	23.2
59.04987	1.0
60.04514	2.9
61.02929	6.0
66.31774	1.1
67.05518	1.7
67.58500	1.0
69.03078	1.9
69.03429	27.1
70.09473	1.7
70.09889	3.4
70.17776	0.9
70.99366	0.9
71.01337	2.4
72.04514	8.6
73.02919	56.9
79.50700	0.9
80.05022	1.4
81.03408	2.6
84.04507	10.5
85.02901	16.3
85.03371	1.4
87.04471	1.5
91.05471	1.1
96.04476	4.8
97.02889	42.4
98.06046	2.0
99.04449	5.2
103.03936	3.5
105.07095	1.1
110.06013	1.4
111.04401	1.3
114.05499	2.7
115.03931	29.7
126.05514	4.4
127.03918	4.7
133.04956	8.1
143.03358	1.8
144.06544	6.2
157.04921	1.2
162.07617	100.0
174.07695	1.4
186.07582	1.8
204.08661	9.1
210.07852	1.2
211.05983	8.2
218.89636	1.0
228.08684	1.1
229.07048	3.0
258.09760	7.9
276.10806	13.0
294.11832	47.6
295.12198	1.4
336.12766	1.6
408.14877	1.8
426.16058	19.9
426.24921	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	427.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03751	0.7
53.03947	8.4
55.01861	0.9
55.02993	10.0
56.05009	0.7
56.96551	0.9
57.03415	0.7
60.04512	1.0
61.02910	0.7
69.03429	5.3
70.06600	3.3
70.92960	1.4
71.04987	1.4
72.08151	1.5
73.04030	0.6
78.22131	0.5
81.03416	17.6
83.02454	1.4
83.06126	0.6
84.04508	1.4
84.08138	2.9
85.02894	4.8
85.04031	0.7
86.09693	1.9
91.05460	0.9
97.02890	15.2
98.97581	1.4
99.04449	4.0
101.07134	1.7
109.02874	19.0
110.07155	1.5
111.01925	38.8
116.98602	1.4
123.04435	1.9
127.03911	13.1
129.02960	100.0
129.10217	1.0
130.03281	0.9
134.99690	1.4
136.07605	0.7
137.02338	29.7
137.03406	1.5
139.03900	1.2
142.30415	0.6
145.04922	0.9
147.04358	2.4
150.07773	6.3
161.05923	0.7
170.05705	0.6
170.66576	0.5
177.05486	0.6
179.03362	0.6
197.87170	0.7
203.03589	0.6
219.01524	0.6
237.02849	1.8
237.05019	1.4
255.06126	31.9
271.55380	0.6
273.07242	6.2
275.05508	0.7
287.05621	1.1
295.11758	0.8
409.08850	5.7
427.19504	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	426.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
56.05027	1.2
56.57227	0.8
57.03438	26.5
57.28586	0.8
58.05466	0.9
60.04518	2.8
61.02922	6.2
62.05361	0.8
68.05009	1.7
69.03432	29.8
69.45087	6.4
69.45505	2.1
69.46439	0.9
71.01340	3.2
71.04977	1.2
72.04514	9.8
73.02917	63.2
78.71889	0.9
80.05020	0.8
81.03399	3.1
83.04954	1.1
84.04095	1.1
84.04503	9.8
85.02910	17.2
87.04478	1.4
93.07066	0.8
96.04488	4.2
97.02892	38.7
98.06062	2.7
99.04450	5.4
103.03944	2.7
108.22194	1.1
110.06055	1.1
111.04433	1.0
114.05557	2.0
115.03168	1.9
115.03933	31.3
126.05489	3.7
127.03905	5.1
133.04962	6.8
138.05492	1.8
143.03412	1.2
144.06555	8.9
145.05008	1.5
149.04469	1.8
157.04956	1.7
162.07619	100.0
163.07971	1.9
186.07669	1.9
204.08687	9.8
211.05963	9.1
229.07027	2.9
247.08125	1.2
258.09760	7.1
274.88638	0.9
276.10776	15.2
294.11835	50.4
295.12228	1.7
336.12817	1.3
347.69318	1.0
426.16064	19.9
427.16309	1.1
439.46332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03962	3.0
55.05515	23.9
57.07076	11.9
58.82949	2.0
59.04991	2.3
61.19905	2.1
67.05506	30.4
69.03422	2.7
69.07070	54.1
70.63903	8.8
71.04980	6.1
79.05497	23.2
81.07059	63.7
83.08624	16.8
83.67560	2.1
85.10179	3.0
91.05473	20.9
93.07046	48.3
95.04960	5.3
95.08608	100.0
97.10159	8.3
99.08086	5.0
105.07036	41.8
107.08595	75.0
109.06567	2.9
109.10155	77.2
111.08064	3.6
111.11718	7.6
117.07011	3.9
119.08583	47.6
121.10146	64.9
123.08009	2.9
123.11707	36.9
125.09692	4.6
127.11208	10.1
131.08559	10.3
133.10115	41.6
135.11690	48.5
137.13281	18.9
139.11194	6.6
145.10144	19.8
146.93730	2.2
147.11676	34.2
149.13261	36.2
151.14832	3.3
153.12770	3.3
157.10146	5.9
159.11687	18.6
161.13281	22.7
163.14850	19.0
171.11771	3.4
173.13254	16.6
175.14835	22.2
177.16377	25.6
180.80777	2.2
185.13298	3.8
187.14807	14.9
189.16356	18.8
191.17952	15.7
195.17461	9.8
199.14798	3.9
201.16418	9.1
203.17992	14.5
213.16429	5.3
215.17963	9.8
217.19556	16.3
219.21346	2.8
227.17929	4.0
229.19460	12.5
231.21074	16.2
241.19469	2.9
243.21037	2.7
257.22699	6.6
259.24289	4.0
271.24194	6.0
283.24213	6.0
285.25864	6.3
374.76471	2.6
407.36746	13.1
425.32175	4.7
425.37769	69.8
426.38266	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
57.03436	3.2
60.04523	0.7
60.71202	0.4
61.02918	1.1
64.14695	0.4
65.46461	0.4
67.05499	0.6
68.01092	0.4
69.03422	5.1
71.01356	1.0
71.17780	0.7
71.18099	0.6
72.04504	1.6
73.00378	0.4
73.02509	0.4
73.02915	7.6
79.05462	0.6
81.03427	0.5
81.07044	0.6
81.66544	0.4
82.40183	0.4
82.59073	0.4
83.04969	1.3
84.04497	1.6
85.02898	2.1
85.77264	0.4
91.05499	0.7
93.07060	1.1
95.04948	0.6
96.04475	0.8
97.02882	5.6
98.06054	0.6
99.04454	1.0
100.50568	0.4
101.38120	0.4
105.07051	0.4
107.08617	0.6
111.95217	0.4
115.03921	3.7
117.05410	0.4
117.06956	0.4
119.08590	0.8
120.05729	0.3
121.10133	0.6
121.70798	0.4
126.05528	0.8
127.03911	0.7
131.08617	0.5
133.04951	0.7
133.10104	0.5
144.06615	0.7
145.10139	0.5
147.08057	0.6
162.07620	13.4
204.08736	1.2
211.06036	1.0
258.09799	1.1
276.10733	2.5
286.61642	0.4
294.11804	8.5
296.44159	0.5
333.13199	0.6
351.21408	0.6
425.25076	100.0
426.16003	2.9
426.25226	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	425.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01868	2.3
55.05494	1.7
56.05024	0.8
57.03436	24.1
59.04988	1.5
60.04520	3.2
61.02641	0.7
61.02926	7.8
61.59946	0.5
63.26994	0.4
67.05484	1.9
68.05003	1.7
69.03429	29.7
69.07060	1.7
69.38049	4.8
70.06567	1.3
71.01350	3.3
71.04973	1.6
72.04510	8.3
72.08134	0.8
73.02917	57.7
77.71790	0.5
79.05496	2.8
80.04999	1.5
81.03422	3.7
81.07059	2.4
83.04967	1.7
83.08617	0.6
84.04029	0.9
84.04501	9.6
84.08157	2.9
85.02908	16.7
86.06080	0.7
87.04469	2.8
88.97593	0.5
91.03947	0.5
91.05486	3.8
93.07043	3.6
95.01317	0.8
95.04960	1.7
95.08590	1.6
96.04498	3.6
97.02893	42.6
98.06059	2.5
98.09673	1.0
99.04443	4.1
100.07594	1.7
101.02361	1.2
102.05534	0.8
103.03944	2.8
103.05463	0.5
105.07046	2.7
107.04932	0.7
107.08588	1.5
108.04488	0.6
109.02888	1.2
109.06503	0.6
109.10104	0.7
110.06062	1.4
110.09666	0.8
111.04443	1.9
111.06464	0.5
112.07598	1.0
113.02396	0.6
113.35410	0.5
114.05492	2.4
114.09152	1.4
115.03927	28.1
117.05487	1.2
117.07014	0.7
119.04917	0.9
119.08606	2.9
121.10136	1.5
122.06052	1.1
123.04420	1.2
126.05515	5.1
127.03924	4.9
128.07132	0.6
129.06953	0.8
131.08586	1.0
133.04951	6.3
133.10150	1.1
134.05994	0.5
135.11681	0.8
137.05974	0.9
138.05533	1.2
139.03886	1.3
143.03450	1.0
143.08617	0.9
144.06560	7.1
145.02931	0.8
145.04961	1.5
145.06482	0.5
145.10112	1.0
147.04398	1.4
147.08012	1.5
147.11690	0.9
149.04478	1.1
149.09613	0.5
151.03879	0.5
156.06552	0.9
157.04956	1.5
162.07616	100.0
165.05348	0.5
168.06595	0.9
169.04964	0.7
173.13362	0.7
174.07634	0.9
176.62044	0.5
177.05441	1.1
185.09677	0.6
185.13214	0.6
186.07645	2.1
194.08157	0.5
198.07523	0.8
204.08662	8.0
207.06459	0.8
208.02777	0.5
210.62527	0.5
211.06035	11.0
212.09145	0.9
216.08643	0.5
228.08578	1.0
229.07104	2.2
240.08652	1.4
247.08122	1.3
258.09735	8.0
276.10757	15.9
294.11826	46.9
315.12155	0.6
333.13376	1.8
336.12955	1.6
396.15222	0.5
407.33063	0.6
408.15073	1.7
415.98346	0.6
425.25110	86.9
425.37555	3.0
426.16074	18.8
426.24783	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	425.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01868	2.3
55.05494	1.7
56.05024	0.8
57.03436	24.1
59.04988	1.5
60.04520	3.2
61.02641	0.7
61.02926	7.8
61.59946	0.5
63.26994	0.4
67.05484	1.9
68.05003	1.7
69.03429	29.7
69.07060	1.7
69.38049	4.8
70.06567	1.3
71.01350	3.3
71.04973	1.6
72.04510	8.3
72.08134	0.8
73.02917	57.7
77.71790	0.5
79.05496	2.8
80.04999	1.5
81.03422	3.7
81.07059	2.4
83.04967	1.7
83.08617	0.6
84.04029	0.9
84.04501	9.6
84.08157	2.9
85.02908	16.7
86.06080	0.7
87.04469	2.8
88.97593	0.5
91.03947	0.5
91.05486	3.8
93.07043	3.6
95.01317	0.8
95.04960	1.7
95.08590	1.6
96.04498	3.6
97.02893	42.6
98.06059	2.5
98.09673	1.0
99.04443	4.1
100.07594	1.7
101.02361	1.2
102.05534	0.8
103.03944	2.8
103.05463	0.5
105.07046	2.7
107.04932	0.7
107.08588	1.5
108.04488	0.6
109.02888	1.2
109.06503	0.6
109.10104	0.7
110.06062	1.4
110.09666	0.8
111.04443	1.9
111.06464	0.5
112.07598	1.0
113.02396	0.6
113.35410	0.5
114.05492	2.4
114.09152	1.4
115.03927	28.1
117.05487	1.2
117.07014	0.7
119.04917	0.9
119.08606	2.9
121.10136	1.5
122.06052	1.1
123.04420	1.2
126.05515	5.1
127.03924	4.9
128.07132	0.6
129.06953	0.8
131.08586	1.0
133.04951	6.3
133.10150	1.1
134.05994	0.5
135.11681	0.8
137.05974	0.9
138.05533	1.2
139.03886	1.3
143.03450	1.0
143.08617	0.9
144.06560	7.1
145.02931	0.8
145.04961	1.5
145.06482	0.5
145.10112	1.0
147.04398	1.4
147.08012	1.5
147.11690	0.9
149.04478	1.1
149.09613	0.5
151.03879	0.5
156.06552	0.9
157.04956	1.5
162.07616	100.0
165.05348	0.5
168.06595	0.9
169.04964	0.7
173.13362	0.7
174.07634	0.9
176.62044	0.5
177.05441	1.1
185.09677	0.6
185.13214	0.6
186.07645	2.1
194.08157	0.5
198.07523	0.8
204.08662	8.0
207.06459	0.8
208.02777	0.5
210.62527	0.5
211.06035	11.0
212.09145	0.9
216.08643	0.5
228.08578	1.0
229.07104	2.2
240.08652	1.4
247.08122	1.3
258.09735	8.0
276.10757	15.9
294.11826	46.9
315.12155	0.6
333.13376	1.8
336.12955	1.6
396.15222	0.5
407.33063	0.6
408.15073	1.7
415.98346	0.6
425.25110	86.9
425.37555	3.0
426.16074	18.8
426.24783	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	425.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	11.6
54.29773	11.4
55.01871	19.3
55.05507	32.2
55.78613	10.3
56.96558	19.5
57.03432	16.4
67.05502	100.0
69.03424	25.7
69.07065	25.1
70.82619	16.9
70.82963	23.7
73.02905	18.0
74.53923	10.1
76.90435	11.7
78.69623	12.3
79.05491	43.1
79.30700	14.0
80.01517	14.3
81.07061	70.9
82.99296	11.4
83.04973	30.3
83.08575	17.7
85.02906	20.6
91.05480	48.1
93.07036	51.4
95.01334	22.8
95.04955	25.9
95.08607	51.4
97.02897	13.8
97.06544	10.6
97.10175	11.5
105.07031	40.6
107.08591	36.9
109.10148	45.7
111.04461	11.7
119.08586	41.2
121.10169	25.9
123.04395	12.1
125.09642	19.0
129.06981	17.5
130.07486	10.2
131.08589	13.1
133.10120	34.0
135.11693	12.5
143.08554	26.9
145.10127	16.0
147.04369	11.6
157.10205	12.3
158.97504	10.7
159.11798	11.4
161.13242	20.4
162.07629	40.3
171.11719	15.7
173.11781	12.8
184.07349	12.6
185.13177	13.1
199.11151	14.2
221.04587	10.3
241.11275	15.3
259.12247	29.2
294.11801	19.5
299.02444	12.8
315.12534	14.8
333.09537	11.4
333.13184	57.7
351.18619	13.1
369.19537	27.8
401.31784	12.0
425.17859	66.4
425.23276	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.23
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57767	8.8
55.05507	13.1
57.03418	10.1
67.05505	77.0
68.05821	16.2
69.07061	24.0
70.28252	43.6
76.39030	9.5
79.05476	27.0
81.07047	33.4
82.09892	10.3
86.09726	9.9
90.34513	11.3
91.05476	41.7
93.07040	34.0
93.56528	10.7
95.04950	14.8
95.08595	32.9
105.07047	29.4
107.08567	19.5
109.10174	37.5
119.08547	13.0
121.10114	20.4
128.63060	11.5
131.08551	16.6
133.10127	24.2
135.11536	17.7
145.10144	14.8
147.11682	11.0
162.07594	24.4
176.27579	11.1
225.34856	9.3
299.43915	10.0
315.12170	15.9
333.13458	36.9
343.86243	9.2
425.17789	34.8
425.23035	100.0
425.28433	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	425.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.01876	12.8
55.05503	12.0
57.03438	14.9
61.02921	2.4
63.40286	1.3
65.03938	6.1
67.05510	18.7
67.24928	1.3
69.03433	12.4
69.07053	4.4
69.55296	10.6
71.01360	1.7
71.04993	3.2
72.04523	2.1
73.02911	12.1
78.43182	1.3
79.05496	23.4
80.80303	1.7
81.03428	11.8
81.07064	20.1
83.01340	6.1
83.04977	5.9
83.08625	1.7
84.04494	2.7
84.08142	4.1
85.02912	7.0
87.04525	1.5
91.05478	33.1
93.03436	3.3
93.07040	15.0
95.01327	9.7
95.04975	11.6
95.08611	8.9
97.02895	15.5
97.06525	2.3
97.10149	1.9
99.04488	1.8
100.07613	1.5
101.02400	1.9
103.03886	1.2
103.05482	4.3
105.03403	5.1
105.07026	17.5
107.04945	11.0
107.08596	6.0
109.02896	5.8
109.06503	5.2
109.10159	4.1
111.04430	3.0
111.08087	2.1
115.03951	6.1
115.05419	7.8
116.43410	1.3
117.03364	1.8
117.07012	13.6
119.04940	13.0
119.08573	9.1
120.08059	1.7
121.02882	7.4
121.06477	6.3
121.10144	5.0
123.04422	6.8
123.08038	1.8
123.11689	1.9
125.02377	6.3
125.05999	2.5
126.05477	1.4
127.03913	3.6
128.06229	4.7
129.07010	14.5
130.07660	1.6
131.04921	6.6
131.08568	12.6
133.02840	3.1
133.06516	8.6
133.10138	5.5
135.04430	8.1
135.08067	3.0
135.11681	2.4
137.02304	1.7
137.05948	3.1
139.03871	3.8
141.01817	1.7
141.06998	6.6
143.03394	1.4
143.04901	1.8
143.08586	7.8
144.06610	1.5
145.02824	2.1
145.06467	9.9
145.10132	9.9
147.04407	17.2
147.08015	2.9
147.11702	3.7
149.02304	8.2
149.06044	2.2
149.09645	3.3
151.03906	8.3
151.07544	2.3
153.05527	1.3
153.06984	2.7
154.07800	2.4
155.03413	2.3
155.08559	7.5
157.06462	6.6
157.10136	6.6
159.04424	4.6
159.08095	4.2
159.11697	3.6
161.02417	2.3
161.05980	8.0
161.09575	3.7
162.07616	21.6
163.03886	7.6
163.11261	2.2
165.01857	4.3
165.05505	4.4
165.06961	2.9
165.08932	1.3
167.03348	3.5
167.07190	2.4
167.08597	6.1
169.06532	1.5
169.10098	5.0
171.04422	2.0
171.08044	5.0
171.11674	4.4
173.02379	2.3
173.06024	9.2
173.09621	4.6
173.47966	1.5
175.03931	15.2
175.07501	2.0
175.11252	1.9
177.01805	2.1
177.05440	7.9
177.12669	1.7
179.03401	4.2
179.08522	2.4
181.05037	2.2
181.08685	1.5
181.10071	2.9
183.07990	3.8
183.11688	1.8
184.08841	1.7
185.06007	3.2
185.09618	6.3
185.13200	2.4
187.03947	3.2
187.07582	2.1
187.11223	5.7
189.05487	10.2
189.09108	2.8
189.12825	1.8
191.03398	4.1
191.08522	1.7
191.10580	1.6
193.05000	3.1
195.08066	3.7
195.11743	2.6
197.04456	2.3
197.09647	5.1
199.03925	2.0
199.07610	3.2
199.11234	4.8
201.05443	2.5
201.09076	3.8
203.07054	3.6
203.10651	2.2
204.08699	1.9
205.04933	2.7
205.10234	2.0
205.12204	2.8
207.02769	1.3
207.06506	20.7
207.08098	1.0
209.09669	3.0
211.05949	2.2
211.11086	3.3
213.09061	3.7
213.12753	4.3
215.10672	3.8
217.05034	4.0
217.12294	3.1
219.10130	1.7
221.04439	13.1
223.11253	4.7
225.09125	4.3
227.10631	3.6
231.06522	2.0
231.10188	8.3
231.13751	2.7
233.11703	8.3
235.05966	4.4
241.08566	2.3
241.12149	8.2
243.10147	3.6
243.13858	2.1
245.11755	4.4
249.11273	2.1
250.09814	1.7
251.10602	5.3
253.08755	1.7
253.12308	1.9
255.10185	4.1
258.09567	1.8
259.09732	5.5
259.13293	8.1
264.86935	1.4
269.11749	14.2
271.13394	3.2
273.11414	2.0
276.10773	3.8
277.10721	14.3
279.10254	3.7
287.12796	17.7
288.13397	1.5
289.10889	2.1
289.14145	1.6
294.11746	10.5
297.11249	10.2
303.12283	4.8
305.13904	9.6
306.60614	1.4
315.12274	33.3
316.12442	1.6
333.13327	100.0
334.13556	4.7
351.14404	9.4
407.16971	6.6
425.18051	39.6
425.38593	2.1
426.16522	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	425.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01873	9.2
55.05509	10.4
57.03441	10.8
57.07093	1.1
59.04990	1.3
61.02934	2.1
65.03953	5.1
65.08831	0.9
67.05507	18.7
67.23568	1.0
68.99783	1.1
69.03424	11.7
69.07063	5.7
70.06589	3.1
71.01360	2.5
71.04996	2.0
71.58346	1.9
72.04521	2.5
72.08156	1.6
73.02912	11.2
79.05492	21.4
79.05910	2.0
81.03424	9.2
81.07058	16.9
83.01348	5.1
83.04980	2.2
83.08629	3.3
84.04503	2.8
84.08150	4.0
85.02908	7.4
87.04466	1.7
91.05479	31.8
93.03384	5.0
93.07041	14.2
95.01314	8.7
95.04971	11.2
95.08607	10.4
96.04439	1.1
97.02883	13.3
97.06550	2.9
97.10179	1.1
98.06107	1.4
98.09692	1.4
99.04471	2.1
100.07626	2.8
103.05451	5.2
105.03386	2.7
105.07033	15.3
107.04950	9.8
107.08610	6.2
109.02889	4.4
109.06544	3.3
109.10172	3.4
111.04446	3.6
111.08086	1.3
113.02391	1.0
115.03930	5.2
115.05462	6.0
116.07036	1.2
117.03410	1.4
117.07020	11.3
118.06557	2.9
119.04941	11.9
119.08572	11.6
120.08107	2.6
121.02882	3.0
121.06510	5.6
121.10155	4.5
123.04411	5.8
123.08105	2.0
123.11691	2.1
125.02370	3.6
125.05930	1.6
127.03958	2.6
127.89415	1.1
128.06258	3.6
129.07013	11.3
131.04961	4.6
131.08569	8.7
132.02029	1.2
133.02843	1.7
133.06496	7.7
133.10103	5.8
135.04420	7.9
135.08035	2.7
135.11736	2.0
137.02388	1.1
137.06029	2.8
137.09634	2.7
139.03917	3.7
141.01810	1.0
141.07001	6.3
142.07819	3.1
143.04942	1.9
143.08557	6.1
144.06653	1.8
145.02858	3.5
145.06474	8.2
145.10114	7.5
146.06020	6.6
147.04393	11.7
147.08063	4.3
147.11697	3.0
149.02322	5.6
149.06006	4.3
149.09633	3.1
151.03879	8.5
151.07567	1.9
151.11205	1.4
153.07045	2.2
154.07813	3.2
155.03499	1.5
155.08589	4.6
157.06508	5.7
157.10100	7.3
159.04445	3.5
159.08084	2.1
159.11728	3.4
161.02402	2.3
161.04814	1.1
161.06004	5.3
161.09644	2.2
161.13245	2.0
162.07605	16.4
162.08891	1.1
163.03880	7.1
163.07565	1.8
163.11246	2.4
165.01918	3.4
165.05507	4.3
165.07031	4.0
165.09090	1.1
166.07840	1.8
167.03406	2.6
167.07188	2.4
167.08598	6.2
169.05083	1.2
169.10182	4.1
170.07303	1.5
171.04460	1.4
171.08099	4.0
171.11679	3.4
173.02353	1.8
173.05948	6.2
173.09680	4.5
173.13228	1.1
175.03935	12.2
175.07594	2.5
175.11246	2.3
177.05484	7.8
178.07800	1.2
179.03465	2.7
179.07117	1.6
179.08578	1.8
180.09283	1.1
181.05003	2.4
181.06470	2.4
181.10098	2.4
182.07114	1.2
183.08052	2.2
183.11679	2.4
185.06015	2.5
185.09616	6.2
185.13257	2.1
187.02393	1.0
187.03912	2.3
187.07645	1.9
187.11229	3.8
189.05450	8.6
189.09036	1.6
191.03452	2.3
193.04997	2.6
195.08064	2.0
195.11708	3.6
197.04442	1.5
197.09648	4.2
199.03941	3.0
199.07549	2.1
199.11230	3.8
201.05493	2.2
201.09099	2.0
203.07108	2.6
203.10684	3.0
204.08784	1.3
205.04938	1.9
205.10271	2.2
205.12250	2.7
207.02777	1.1
207.06514	15.0
209.04555	1.3
209.09615	1.2
211.05876	1.7
211.07655	2.0
211.11139	1.6
213.05513	1.8
213.09142	4.2
213.12697	4.9
215.10765	3.9
217.05013	4.4
217.12059	1.5
219.06627	2.2
219.10263	1.5
221.04466	9.9
223.06042	1.2
223.11311	4.1
225.09174	3.7
225.12718	2.5
227.10663	4.7
231.10118	6.2
233.11679	9.5
235.06046	3.8
241.08563	1.9
241.12227	8.0
243.10190	3.0
243.13754	1.8
245.11903	3.2
249.11325	1.4
251.10709	4.9
255.10207	3.2
255.57716	1.0
256.06259	1.1
258.09662	1.9
259.09720	4.2
259.13358	4.4
261.11423	1.6
261.14935	1.6
267.10257	1.3
269.11746	12.0
271.09882	1.2
271.13324	2.9
273.11215	2.1
276.10941	2.4
277.10706	12.6
279.10217	3.6
285.11285	1.2
287.12787	15.2
289.11105	1.0
289.14310	1.7
291.12338	2.3
294.11774	7.6
297.11194	9.8
303.12311	3.1
305.13901	9.2
315.12259	30.2
333.13318	100.0
334.13733	3.9
351.14542	6.6
407.16934	5.3
425.18109	42.5
425.24719	1.7
425.26373	2.2
425.38760	2.4
426.16092	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.6
55.01867	11.6
55.05508	12.7
56.96573	1.6
57.03438	11.7
59.15334	1.3
65.03932	3.7
66.41717	1.5
67.01817	1.6
67.05505	19.2
69.03429	7.9
69.07062	4.6
70.06589	2.9
70.22092	7.0
71.01315	1.7
71.04984	2.4
73.02918	9.3
79.05486	20.1
81.03413	10.1
81.07062	14.1
82.01668	1.3
83.01343	4.7
83.04986	2.9
83.08625	2.8
84.04498	1.9
84.08166	3.0
85.02907	6.2
86.09716	1.8
86.83455	1.3
89.03941	1.9
91.05484	24.9
93.03418	3.2
93.07047	14.2
93.45676	1.3
95.01341	6.8
95.04977	12.0
95.05524	2.3
95.08608	8.6
96.32867	1.6
97.02882	9.1
97.06526	2.8
97.10159	2.2
97.27053	1.3
98.09725	1.8
98.21288	2.4
99.04475	1.9
100.07609	2.2
103.05485	3.1
105.03397	3.1
105.07027	13.7
107.04979	9.5
107.08592	5.1
109.02905	4.5
109.06532	3.7
109.10177	3.6
111.04478	2.7
113.02360	1.4
115.03944	4.5
115.05444	7.4
116.47677	1.2
117.07035	14.0
119.04929	5.8
119.08582	10.8
121.02901	5.4
121.06528	4.6
121.09190	1.2
121.10143	5.2
123.04459	6.7
123.08125	1.7
123.11747	2.0
125.02383	4.9
127.03922	3.5
128.06230	2.3
129.07011	10.2
131.04913	7.6
131.08560	9.4
133.02869	2.4
133.04845	1.8
133.06508	5.8
133.10133	7.1
135.04405	7.5
135.08083	3.6
135.11682	2.8
137.02361	2.1
137.05986	2.1
139.03905	3.2
141.06998	5.4
142.07779	2.4
143.08585	5.8
145.02892	2.4
145.06465	9.2
145.10117	8.3
147.04407	8.2
147.08084	4.9
147.11703	3.2
149.02306	8.0
149.06000	4.0
149.09615	3.9
151.03905	8.7
152.06180	2.6
153.05586	1.4
153.06993	2.9
154.07814	2.5
155.03450	2.1
155.08530	6.0
157.06506	6.2
157.10143	5.8
158.07246	1.5
159.04463	5.3
159.08055	4.2
159.11729	3.9
161.02354	1.7
161.05894	6.6
161.09648	4.6
162.07655	12.1
163.03934	6.3
163.07677	2.0
163.11197	2.8
165.01891	4.6
165.05615	3.3
165.07036	2.9
166.07829	1.8
167.03450	3.2
167.07092	1.9
167.08575	4.1
169.05008	1.7
169.10164	6.7
171.04378	2.9
171.08058	3.9
171.11707	2.7
171.15027	1.4
173.06056	8.3
173.09651	3.3
175.03894	9.1
175.07558	1.7
175.11243	2.9
177.05566	6.9
179.03468	3.0
179.08574	2.5
181.05020	1.7
181.10175	1.7
183.08032	2.3
185.06029	2.4
185.09619	6.8
185.13266	2.7
187.03914	3.3
187.07538	2.2
187.11221	5.9
189.05464	9.4
189.12717	1.8
191.03394	3.1
191.07074	2.2
191.50397	1.9
193.04932	2.9
193.74644	1.3
195.08112	2.8
195.11722	3.8
197.04395	2.6
197.09642	3.9
199.03830	2.8
199.11180	3.4
201.05504	3.6
201.09178	2.2
203.07054	2.1
203.10684	2.7
204.08575	1.8
205.05063	2.6
205.12190	2.0
211.11156	2.3
213.05542	1.9
213.09088	4.6
213.12785	6.3
215.10756	5.2
217.04965	4.8
217.12209	2.2
221.04417	12.7
223.11288	4.6
225.09158	3.4
227.10661	4.0
231.10165	6.7
233.11716	8.4
235.06024	4.6
239.10713	1.8
241.08646	3.0
241.12299	7.8
243.10170	5.0
243.13809	2.0
245.11635	3.2
251.10754	5.0
255.10309	1.8
259.09778	4.6
259.13315	5.6
262.42624	1.4
263.13007	1.3
269.11676	11.3
271.13251	3.1
273.11252	2.7
276.10730	2.4
277.10757	13.1
279.10168	3.4
280.57159	1.6
285.11200	1.4
287.12766	17.5
289.14499	2.3
291.12381	2.0
294.11887	4.0
297.11108	10.4
303.12378	4.8
305.13824	8.4
315.12222	32.9
315.15576	2.3
323.15268	2.3
333.13330	100.0
334.13727	3.5
351.14404	7.7
407.17130	6.2
425.18115	47.1
425.38510	4.1
426.17914	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.01857	8.1
55.05516	11.4
57.03436	4.5
64.13829	2.0
65.03930	2.7
67.05505	24.2
67.44667	2.6
69.03414	5.9
69.07059	7.0
71.04987	3.1
71.36250	5.5
72.82828	2.0
79.05492	24.3
81.03411	7.9
81.07050	22.4
83.01348	3.2
83.04987	3.6
83.95086	2.5
91.05481	33.6
93.03394	2.8
93.07038	14.7
95.01335	32.2
95.04967	11.6
95.08624	12.0
95.18970	2.5
97.02878	3.2
97.06523	2.7
103.05464	4.4
105.07019	19.1
107.04926	11.9
107.08591	6.7
108.96612	2.1
109.02885	3.8
109.06520	4.4
109.10150	4.5
113.02335	2.7
115.05440	5.5
117.07030	13.9
119.04971	3.5
119.08578	12.0
121.06487	5.2
121.10109	7.2
123.04463	5.5
123.08070	5.8
125.02341	2.7
128.06140	2.8
129.07022	12.2
131.04932	5.3
131.08578	14.9
133.06482	3.1
133.10127	9.8
135.04428	4.3
135.08051	5.5
137.06061	3.2
141.06963	5.7
143.08560	6.0
145.06487	5.7
145.10089	4.4
147.04359	6.8
147.08098	2.3
147.11703	6.1
149.02303	3.5
149.05968	2.4
149.09631	4.8
151.03908	3.8
155.08563	4.6
157.06514	4.3
157.10101	5.9
159.08090	3.3
159.11655	2.8
161.05945	4.4
161.09616	3.0
163.03954	4.9
165.05489	7.8
165.06914	3.0
165.09169	2.3
167.08513	3.6
169.10181	3.0
171.08110	3.3
173.06017	3.8
173.09669	3.5
175.03889	7.5
175.11192	2.6
177.05429	3.6
181.04979	2.1
181.10161	3.6
183.08080	3.2
187.03841	2.4
187.11121	2.5
189.00955	2.3
189.05580	5.1
195.11708	2.2
197.04324	2.4
197.09651	2.6
199.11142	3.6
203.06973	2.3
205.04892	2.7
209.09596	5.1
215.10793	3.0
221.04405	11.5
227.10661	5.4
233.11758	7.1
235.05954	2.7
241.12263	4.7
243.10085	2.9
250.81830	2.4
251.10750	5.8
255.10176	3.2
259.13348	4.2
269.11655	10.1
275.60657	2.2
279.10184	2.9
287.12823	15.3
297.11261	8.8
303.12164	3.3
305.13922	8.5
315.12329	26.0
333.13327	88.6
333.17297	4.6
334.13727	3.8
351.14227	2.5
425.18027	100.0
425.31857	4.0
426.18582	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01881	7.6
55.05506	8.4
57.03429	6.3
58.93915	1.4
62.43166	1.3
65.03944	2.3
67.05511	18.7
69.03414	4.0
69.07059	5.3
69.25003	3.1
69.25415	13.9
71.04977	1.4
78.59615	1.5
79.05496	18.9
81.03412	7.9
81.07057	22.4
83.01338	2.2
83.04981	4.3
83.08598	2.9
85.02899	2.9
91.05482	29.2
91.13230	1.5
93.03402	2.9
93.07040	17.6
95.01332	26.5
95.04987	10.3
95.08607	8.8
97.02875	3.5
97.06521	2.7
97.10172	1.4
103.05450	1.9
105.03405	1.4
105.07030	16.1
107.04956	8.7
107.07957	1.3
107.08585	8.0
109.02885	4.1
109.06506	2.3
109.10137	3.8
110.90979	1.6
113.02382	2.5
115.05452	4.3
117.06998	9.3
119.04980	3.0
119.08569	8.7
120.71687	1.5
121.02866	2.3
121.06499	5.4
121.10141	4.3
123.04436	5.1
123.08082	2.3
123.11674	1.8
125.02360	3.4
128.06226	4.0
129.06995	10.9
131.04944	4.9
131.08592	11.9
133.02893	2.7
133.06509	4.8
133.10138	8.5
135.04434	3.3
135.08064	2.7
135.11723	3.4
137.06026	2.5
137.09602	1.6
139.03891	2.8
141.01808	1.5
141.07010	3.3
141.98050	1.2
143.08585	4.6
145.06490	5.3
145.10106	4.8
147.04407	5.5
147.08058	4.1
147.11699	5.5
149.02327	2.0
149.05975	3.2
149.09622	2.1
151.03909	4.8
153.06996	2.0
155.08546	4.1
157.06459	3.4
157.10095	7.2
159.04448	5.0
159.08069	2.4
159.11679	5.0
161.06000	3.2
161.09570	2.3
163.03899	4.4
163.07480	1.5
163.11191	2.6
165.01877	2.0
165.05493	6.2
165.06929	2.3
167.08591	1.9
169.06505	2.3
169.10138	3.9
171.08064	4.5
171.11671	2.5
173.06013	4.7
173.09662	3.0
175.03932	4.9
175.07599	1.5
175.11189	2.4
177.05498	2.2
177.12703	3.2
179.03397	1.5
179.08701	2.0
181.10147	3.1
183.08092	1.8
185.05988	2.1
185.09642	2.8
185.13260	1.5
187.03915	1.9
187.11220	3.3
189.05495	4.6
191.07115	1.7
193.05000	2.0
195.11737	2.2
197.04442	3.4
197.09592	2.6
199.07620	2.3
199.11221	4.0
201.05516	2.7
201.12737	2.1
203.07133	1.6
213.05789	1.6
213.09227	1.5
213.12729	3.2
215.10660	2.8
217.05060	2.6
221.04411	10.4
223.11215	4.2
225.09111	2.1
225.12703	1.9
227.10631	5.1
233.11754	4.7
235.05933	2.6
239.05582	2.1
241.12231	4.5
241.41327	1.4
243.10234	2.6
243.13760	3.1
245.11610	1.7
251.10768	5.2
255.10182	2.7
257.11746	1.4
259.13278	3.8
269.11777	10.3
271.13358	2.6
277.14389	2.4
279.10248	3.0
287.12891	15.3
297.11227	4.9
303.12207	2.4
305.13867	9.1
315.12314	24.0
333.09872	1.2
333.13324	83.3
425.18073	100.0
426.18158	3.3
446.76865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01870	11.9
55.05509	7.5
57.03420	5.8
65.03933	3.7
67.05501	24.7
67.51739	1.2
69.03424	4.3
69.07060	4.4
70.38421	4.5
71.04972	2.3
75.98436	1.3
79.05495	23.6
81.03405	9.1
81.06638	2.2
81.07053	22.1
82.04745	1.3
83.01333	3.3
83.04972	5.2
83.08608	5.4
85.02905	3.9
85.63354	1.4
91.05479	34.1
92.20684	1.8
93.03398	3.4
93.07042	13.8
95.00761	2.6
95.01328	33.8
95.04964	12.3
95.08598	7.8
97.02860	3.7
97.06516	2.0
103.05502	1.9
105.03361	2.7
105.07032	19.2
107.04919	10.4
107.08596	5.3
109.02879	3.2
109.06547	3.3
109.10168	3.4
113.02356	3.3
115.05451	5.2
116.06303	1.6
117.07012	11.0
119.04913	2.9
119.08549	10.7
121.02874	2.1
121.06476	4.8
121.10127	3.2
123.04417	5.2
123.08076	3.4
125.02331	3.1
125.88272	1.5
128.06178	3.8
129.07004	13.4
131.04910	4.9
131.08562	13.7
133.06476	5.4
133.10103	9.8
135.04391	4.9
135.08051	2.9
135.11676	2.1
137.02342	1.6
137.09662	1.5
139.03955	1.7
141.06975	2.9
142.07758	1.7
143.08549	4.5
145.06458	8.4
145.10127	6.4
147.04398	6.0
147.08063	5.8
147.11685	4.9
149.02365	4.1
149.05998	2.2
149.09586	2.3
151.03909	5.8
153.06987	2.7
155.08542	4.4
157.06508	3.1
157.10118	9.2
159.04431	1.9
159.08080	3.3
159.11728	1.9
161.06001	4.1
163.03877	4.1
163.11185	2.4
165.05458	6.2
165.06841	2.2
166.07826	1.8
167.03491	1.7
167.08501	3.3
169.10159	5.8
171.04422	2.6
173.05991	5.3
173.09619	3.4
173.13208	2.2
175.03940	4.8
175.11192	4.1
177.05516	2.3
177.12764	2.2
179.03334	1.8
179.08524	1.8
181.10098	2.0
183.08054	2.5
185.06023	2.5
185.09659	3.3
185.13266	1.4
186.35580	1.6
187.11191	3.4
189.05479	5.1
189.12820	1.6
191.03343	2.0
195.11752	3.2
197.04491	3.1
197.09648	2.1
199.03876	1.5
199.11188	4.0
201.05452	2.5
201.09108	1.7
209.09552	2.3
211.11284	2.4
213.05496	1.7
213.12801	3.7
215.10635	2.3
215.14331	1.7
217.05032	3.9
221.04384	7.0
223.05988	1.8
223.11198	4.0
225.09070	3.4
227.10620	3.8
231.06575	1.8
233.11740	6.6
235.05962	2.9
241.12263	7.4
243.10239	3.0
243.13805	1.9
245.11824	2.0
251.10716	4.8
255.10124	2.6
259.10202	1.5
259.13278	5.1
261.28918	1.4
267.15881	1.8
269.11615	8.0
271.13367	1.7
277.10696	1.7
279.10089	3.0
287.12790	15.0
297.11215	9.7
305.13751	8.3
315.12268	25.6
333.13297	80.8
334.13416	3.5
425.18054	100.0
426.18124	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09832	3.8
56.05007	5.5
56.45345	3.8
56.96545	14.2
61.02902	4.2
65.03906	4.5
67.05495	8.1
67.52951	3.9
69.03428	10.2
70.06596	24.2
71.57502	5.3
71.57939	5.7
72.08150	7.7
79.05518	7.6
81.03407	12.5
81.07034	11.6
84.08138	19.5
85.02872	7.0
86.09698	10.5
91.05480	26.5
91.81992	4.7
95.01339	7.4
95.04970	9.0
95.08617	10.7
98.09686	10.1
98.97587	61.1
100.07597	18.2
106.02868	6.6
106.11065	5.0
107.04955	12.5
109.02876	4.5
110.07142	5.7
110.36327	4.6
112.11156	7.2
116.07112	5.9
116.98631	40.0
117.07006	5.7
119.04919	29.8
119.08555	7.7
120.08097	5.3
121.06507	4.6
123.04419	5.3
124.03921	6.1
125.04342	5.3
127.03872	4.4
129.06993	4.6
134.99629	15.4
135.04410	4.3
136.06213	4.5
147.04408	83.9
151.03958	5.4
157.10068	5.3
158.99725	5.6
163.03902	6.2
177.00749	5.7
177.05452	5.7
179.03369	4.3
219.09946	6.3
240.23575	4.9
263.09668	9.0
281.10599	13.5
305.10800	6.0
315.12466	4.9
323.11612	36.1
341.12720	8.6
365.12552	7.4
376.16681	5.3
425.15488	100.0
425.38461	17.5
426.16769	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01867	12.6
55.05513	9.2
55.50191	1.1
57.03437	8.8
61.87876	1.1
65.03926	5.5
67.05502	17.2
68.99767	1.4
69.03420	6.2
69.07080	6.0
70.06577	4.9
71.01342	1.9
71.04965	2.2
71.58484	1.6
71.58846	1.5
72.08126	2.7
73.02918	3.4
77.02803	1.2
77.03941	1.3
79.05495	21.0
81.03419	10.3
81.07052	17.4
83.01327	4.0
83.04980	2.6
83.08606	3.1
84.04491	1.8
84.08133	1.8
85.02890	4.2
86.09661	2.0
91.05479	28.5
93.03403	4.6
93.07048	13.7
95.01336	8.3
95.04968	10.1
95.08611	8.1
97.02892	6.0
97.06532	3.4
97.10163	1.9
100.07607	3.4
100.11260	2.2
101.02389	2.1
103.05457	4.7
105.03372	4.6
105.07037	13.8
107.04946	10.7
107.08575	6.3
109.02889	6.3
109.06497	3.5
109.10122	4.9
111.04443	3.0
111.08073	1.6
113.02383	2.6
114.10293	1.6
115.05456	7.3
117.06997	13.0
119.04934	13.0
119.08552	9.1
120.08105	1.9
121.02845	4.9
121.06493	4.1
121.10124	4.3
123.04427	4.7
123.08101	1.7
125.02352	5.1
127.03885	3.2
128.06194	3.5
129.07010	13.9
129.10217	1.5
131.04915	7.6
131.08537	10.4
133.02853	1.6
133.06485	8.2
133.10121	4.9
135.04411	8.4
135.08043	3.4
135.11703	1.4
137.02325	1.8
137.05923	1.4
137.09586	1.3
139.03903	4.1
141.01791	1.2
141.06966	8.1
142.07730	1.8
143.08534	5.4
145.06468	11.2
145.10080	8.2
147.04405	30.9
147.08035	3.8
147.11687	2.2
148.04762	2.3
149.02309	8.1
149.05972	3.4
149.09630	3.4
151.03896	10.4
153.07028	1.9
154.07774	2.3
155.03415	2.3
155.08562	5.9
157.06502	6.3
157.10124	4.3
159.04424	5.5
159.08061	4.0
161.02315	2.2
161.05992	5.7
161.09653	2.0
162.07651	3.5
163.03876	7.6
163.11124	2.5
165.01857	7.2
165.05542	3.1
165.06973	3.7
166.07779	2.2
167.03423	2.1
167.08557	5.2
169.06410	1.2
169.10115	7.7
169.13367	2.0
171.04410	2.9
171.08080	5.0
171.11667	3.2
173.05949	8.6
173.09586	4.1
175.03870	10.1
175.07578	2.5
175.11230	3.3
177.01816	1.6
177.05472	6.1
177.12724	1.3
179.03433	3.6
181.04973	1.9
181.06393	2.0
181.10115	3.5
183.08081	2.4
183.11647	1.2
185.05989	4.6
185.09555	6.7
185.13287	1.3
187.03923	4.0
187.07593	2.4
187.11197	4.9
189.05493	9.5
189.08990	1.5
189.12723	1.6
190.05920	1.6
191.03401	3.7
191.06944	1.3
191.10555	1.6
193.04987	3.8
195.08046	2.3
195.11636	2.1
197.04468	2.7
197.09634	3.9
199.03880	1.6
199.07449	1.9
199.11205	4.8
201.05460	3.1
201.08975	1.8
203.03351	1.5
203.10532	2.7
205.04999	2.3
205.10106	2.0
205.12189	3.4
207.02841	2.2
209.04240	1.6
209.09703	2.3
211.07428	3.0
211.11183	1.5
213.05444	2.1
213.09084	5.0
213.12691	5.0
215.07114	1.4
215.10741	6.2
217.04958	4.4
217.12157	2.3
219.06474	1.3
221.04410	12.9
223.11235	3.2
225.09094	3.7
225.12808	1.9
227.10667	6.6
229.12157	1.6
231.10175	6.8
233.09660	2.3
233.11731	8.8
235.06036	4.2
239.05621	1.5
241.08522	3.1
241.12172	9.2
243.10095	3.2
243.13879	2.8
245.11684	3.1
249.11409	1.8
251.10631	5.3
253.12189	2.4
255.10158	2.8
257.11722	1.9
259.09543	5.9
259.13300	7.1
261.11243	1.5
269.11679	12.9
271.13193	2.0
273.11478	1.2
275.87851	1.2
277.10699	15.5
277.13971	2.3
279.10098	4.5
285.11224	1.8
287.12787	15.9
291.12314	1.7
294.11685	1.8
297.11279	9.1
303.12329	4.1
305.13812	10.4
315.08856	2.3
315.12253	29.2
333.13306	100.0
334.13736	3.9
351.14380	8.5
371.55136	1.4
407.16840	4.9
425.18002	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26979	0.7
56.96549	0.8
69.03420	0.9
71.57550	0.8
73.76945	0.7
77.00927	0.9
79.43572	0.6
80.45970	0.6
81.03389	0.7
82.99845	1.1
84.08150	0.7
88.75665	0.6
97.02870	1.0
101.00860	6.1
109.02828	0.8
113.00862	0.8
119.01922	33.1
122.07143	0.8
127.02431	0.8
131.01906	9.9
133.03500	0.6
136.47346	0.6
137.02975	7.5
139.02408	0.6
142.03546	1.7
143.01889	23.3
145.03470	11.0
147.01369	0.8
149.02950	2.5
155.01900	11.5
157.03458	6.8
161.02957	59.9
162.03099	1.5
163.04530	2.6
167.01906	4.6
169.03436	2.0
171.01503	0.7
171.04994	2.0
173.02959	25.3
174.03101	1.1
175.04543	3.2
179.01855	1.8
179.03973	1.9
179.57274	0.7
184.04538	2.5
185.02957	41.7
186.03061	1.7
187.04503	4.4
191.04031	5.9
196.04507	1.4
197.02946	17.4
199.04401	0.9
203.04007	18.4
205.05678	0.8
208.04535	1.4
209.02969	0.8
210.28021	0.5
215.04037	9.7
221.05070	2.3
226.05672	0.6
227.03989	7.9
233.05116	1.1
245.05067	100.0
246.05228	2.5
257.05066	4.0
263.06107	24.8
263.08820	1.3
264.06329	0.9
275.06152	11.6
286.07724	1.5
293.07193	3.1
305.07135	6.3
315.11996	0.6
335.08221	1.5
365.09225	3.4
425.06796	7.7
425.11700	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14894	0.7
65.07078	0.6
69.73615	4.2
70.06589	0.7
71.17861	0.7
72.08149	1.5
76.89953	0.6
79.69621	0.6
82.99900	1.8
84.08158	1.2
96.24565	0.7
97.02898	1.1
98.06039	0.8
98.20845	1.3
98.97523	0.7
101.00872	9.5
102.00980	0.9
105.17445	0.6
113.00887	1.3
118.76576	0.6
119.01922	28.1
127.64024	0.7
131.01910	9.0
131.12892	1.0
137.02939	4.0
138.05518	2.9
142.03502	1.2
143.01894	20.6
145.03479	9.0
146.03673	1.0
147.01335	1.5
149.02983	1.7
155.01888	9.9
157.03465	5.6
157.10774	0.7
161.02960	53.0
162.03064	1.9
163.04532	1.7
167.01886	4.7
169.03448	2.6
171.05031	2.3
173.01404	1.0
173.02960	21.2
175.04500	2.1
179.01939	2.4
179.04036	1.2
184.04510	1.5
185.02946	31.8
186.03133	0.8
187.04483	4.5
191.04015	5.3
196.04613	0.9
197.02954	11.0
203.03999	17.8
208.04553	0.8
209.02867	1.3
215.03983	7.3
221.05107	2.2
227.04007	6.4
233.05060	1.1
239.04076	0.9
245.05074	100.0
246.05276	2.9
257.05081	5.0
263.06137	26.7
275.06125	9.9
286.07666	1.4
293.07281	5.1
305.07135	5.8
315.13599	0.8
335.08133	1.8
365.09222	3.5
425.10461	3.0
425.19901	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	425.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84406	1.1
55.05509	3.5
55.72680	1.2
57.03421	2.8
62.25610	1.3
65.03938	1.7
67.05507	6.3
69.03447	3.0
69.07068	2.1
69.94565	7.2
70.06582	5.5
72.08164	2.0
79.05482	4.9
81.03403	2.0
81.07045	4.2
83.04974	2.3
84.04491	1.8
84.08129	3.7
85.02897	4.6
86.09688	3.9
91.05479	17.4
93.07028	4.4
95.01325	7.2
95.04948	4.3
97.02899	1.7
98.97545	1.7
100.07617	1.7
102.05560	1.5
105.07037	4.6
107.04989	1.8
107.08613	2.2
109.02878	1.7
110.84323	1.3
111.04459	3.1
117.07051	1.7
119.04939	29.9
119.08578	2.1
123.04421	3.1
129.06995	1.7
129.10254	3.1
131.08600	2.1
133.06436	1.6
133.10146	3.2
135.04439	1.3
136.07564	1.6
137.05998	1.6
139.03870	3.4
145.06473	1.7
147.04407	100.0
148.04736	2.3
149.02382	1.6
165.01857	3.2
165.05429	2.0
177.05450	2.4
199.11137	1.6
203.03357	1.4
221.04335	1.2
231.10205	1.8
243.05019	2.6
256.10803	1.3
257.29846	1.2
259.09613	2.2
263.13202	3.0
269.11633	2.2
277.10934	1.4
287.12851	1.9
289.14374	1.6
309.89639	1.2
315.12369	2.3
333.13455	6.0
407.09735	3.6
425.18625	9.2
425.23236	2.3
425.38391	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24854	0.7
54.46521	0.7
55.05502	1.7
57.03428	1.9
65.03944	2.8
67.05498	2.8
69.03423	1.9
69.34423	8.7
70.06587	4.5
72.08128	1.7
79.05494	2.7
81.03405	2.2
81.07067	0.8
83.04969	1.9
84.08133	2.3
85.02901	2.2
86.09712	2.9
91.05476	22.8
93.03389	1.0
93.07029	3.5
95.01328	1.1
95.04958	5.3
95.08595	1.0
97.02889	2.7
98.09709	0.8
98.20765	1.8
99.70499	0.8
100.07615	1.3
105.07014	2.0
107.04978	1.2
107.08578	0.8
109.02862	2.2
111.04454	2.7
117.07047	0.8
119.04940	36.0
119.08559	1.7
121.10109	1.8
127.03922	1.3
127.57948	0.8
131.08566	1.6
133.06374	0.9
133.10052	1.0
139.03909	2.4
145.10194	1.2
147.04407	100.0
148.04738	2.3
149.06032	0.9
165.01825	1.6
175.03946	1.2
187.11026	1.0
231.10133	1.0
243.05052	3.6
246.37489	1.0
287.12698	1.2
303.08594	2.2
310.21167	0.9
315.12469	1.2
333.13242	1.2
351.14322	1.0
407.09735	3.4
425.15350	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	425.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	92.5
69.03429	4.5
69.42252	9.4
69.42677	12.9
70.06596	12.6
72.08150	8.7
74.97607	3.8
81.04600	2.8
84.04473	2.3
84.08141	8.8
84.96025	19.7
85.02901	5.1
86.09686	3.4
91.05482	9.2
95.04963	2.5
97.02918	4.3
98.96932	4.7
98.97580	81.6
99.05553	6.0
102.84177	2.2
102.97054	5.9
110.97559	13.5
112.99134	3.3
114.10302	3.4
116.98615	88.0
119.04932	12.8
120.08105	5.9
121.80243	2.3
123.04403	2.7
127.03817	3.0
128.98590	30.4
129.10245	5.3
131.00150	7.8
134.99649	71.4
135.04344	3.4
139.03894	3.8
140.00133	2.8
140.98630	3.4
143.00130	9.2
146.99651	44.6
147.04402	50.1
148.04773	6.6
149.01213	13.1
153.00705	10.1
158.01306	4.8
158.99704	13.2
161.01231	53.3
161.02646	4.8
162.99084	7.5
165.00723	8.7
170.01418	2.6
170.99675	8.8
177.00706	27.2
179.02275	15.6
187.02736	2.6
189.00681	13.9
193.01758	4.2
195.01747	6.2
195.03297	6.0
201.00708	14.0
207.01787	5.2
209.01154	3.8
211.02802	8.1
213.00722	3.2
213.04280	17.6
219.01746	53.2
221.01256	6.9
231.05312	2.9
237.02803	100.0
239.02237	54.0
242.03377	5.2
245.04892	6.7
255.03883	8.0
257.03308	68.4
260.04523	4.8
262.03754	3.6
263.02316	5.3
265.03802	3.2
280.04990	2.7
281.03333	10.2
293.03305	3.2
294.55795	2.6
305.03183	4.1
307.05008	4.0
317.03262	16.7
323.04388	5.0
325.05981	4.9
327.82977	2.5
335.04391	4.9
340.04974	2.6
347.04327	5.2
365.05411	59.5
383.06448	48.6
401.07449	10.4
406.08273	6.7
425.07474	56.4
425.17609	13.3
425.23050	7.6
426.07938	4.4
443.08698	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	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.0
57.03434	3.7
57.07061	3.7
57.43371	1.9
57.89973	1.8
66.79335	2.1
67.05515	12.9
69.07066	12.7
69.35934	10.2
69.36355	10.6
71.04974	2.6
71.08621	3.9
71.66528	1.9
72.17619	2.0
79.05479	9.1
81.07056	19.5
82.25039	2.4
83.08615	7.4
91.05471	6.9
93.07024	12.4
95.04943	2.2
95.08603	21.1
98.21476	3.2
99.08060	3.0
105.07033	6.8
107.08593	8.2
109.06512	19.0
109.10144	10.5
111.08082	2.7
119.08578	9.1
121.10133	7.6
123.08061	54.6
123.11732	3.7
131.08513	3.3
133.10115	6.6
133.98331	1.9
135.08051	7.9
135.11711	3.3
145.10101	3.0
147.11641	5.2
149.09628	3.7
149.13232	3.6
159.11646	3.9
167.14491	2.3
174.12308	2.3
177.12808	4.8
179.12735	3.8
179.14307	70.9
187.14859	4.0
238.10757	2.3
262.70447	2.1
275.20035	3.2
293.20966	2.2
303.26801	7.9
331.26288	42.4
332.26746	3.3
347.56110	2.3
349.27429	14.0
405.30502	3.3
405.97922	2.3
423.31122	100.0
423.36066	4.6
424.31302	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	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	8.3
56.82301	1.6
57.03434	1.8
57.07059	5.7
58.46829	1.5
67.05499	19.8
69.03429	1.9
69.07082	8.9
71.08624	6.0
71.58642	1.7
71.59029	1.9
79.05493	7.0
81.07059	18.7
83.08617	4.7
83.87274	1.5
85.06558	2.9
86.09428	1.7
87.05534	1.5
91.05487	7.6
93.07049	11.8
95.08614	16.7
97.06514	2.1
99.08102	2.2
102.88693	1.9
105.07011	7.9
107.08582	13.7
109.06522	21.8
109.10166	14.1
117.06998	2.2
119.08560	10.2
121.10139	4.5
122.07304	3.6
123.08064	36.7
123.08948	2.0
123.11733	2.3
129.12404	1.6
131.08517	3.0
133.10143	4.9
135.08096	8.4
135.11673	2.1
137.09590	2.7
143.08597	1.5
145.10126	2.7
147.11687	5.0
149.09593	3.5
149.13338	3.3
159.11661	3.4
161.13231	2.8
162.97964	2.0
165.12816	1.9
167.14331	2.3
173.11784	1.9
177.12686	2.3
179.14310	98.5
180.14674	2.3
182.13341	1.6
191.14282	1.9
193.15892	3.5
205.15906	2.8
303.26840	3.5
331.26315	50.2
332.26636	2.0
349.27280	2.1
360.62598	1.9
423.31128	100.0
424.31525	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.05509	5.6
55.51826	0.8
57.03423	2.4
57.07066	3.2
58.79437	0.6
61.99757	0.7
67.05508	12.8
69.03429	1.3
69.07069	8.5
71.04974	1.3
71.08634	3.8
71.09937	1.3
71.10271	1.0
73.99909	0.7
79.05489	7.0
81.07063	15.6
83.04982	1.1
83.08601	2.8
85.06538	1.8
91.05491	5.9
93.07056	9.8
95.04946	2.0
95.08608	13.5
97.06535	1.9
97.10144	1.6
99.04456	0.9
99.08114	2.6
105.07038	5.9
107.08598	6.7
109.06510	19.9
109.10157	7.3
111.08092	1.7
119.08579	6.5
121.06529	1.1
121.10146	5.7
122.07259	1.5
123.08065	36.7
123.11706	1.8
127.03953	1.4
131.08604	1.1
133.10136	5.6
135.08049	7.7
135.11688	2.9
137.09616	2.8
137.13297	0.9
145.10121	2.0
147.11703	3.5
149.09637	2.5
149.13274	2.6
157.10085	1.0
159.11696	2.5
161.13347	1.4
163.11214	0.8
165.12718	1.9
167.14334	1.5
171.11734	0.8
173.11757	1.1
173.13199	2.0
175.14879	1.7
177.12733	1.9
177.16376	0.9
179.14307	86.0
180.14630	2.9
191.14334	1.4
193.15904	4.0
205.15895	3.3
233.18980	2.8
247.20569	1.3
263.20053	1.2
275.20013	3.3
303.26682	3.8
313.25269	0.9
331.26306	51.0
332.26724	2.4
349.27368	4.4
367.24838	1.2
375.85349	0.7
405.30066	1.8
423.31070	100.0
424.31357	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	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.8
55.05507	6.5
57.03433	2.5
57.07065	2.5
64.35990	1.0
67.05509	12.5
69.03388	1.3
69.07069	12.6
71.04991	2.4
71.08605	1.5
79.05492	6.4
79.38560	1.0
81.07054	17.1
82.37659	1.0
83.04984	1.6
83.08611	7.1
85.06532	1.7
91.05485	5.6
91.05986	0.9
92.67406	1.0
93.07037	7.5
95.04981	1.0
95.08609	12.6
97.06572	1.4
97.10191	1.4
98.21703	1.0
99.08080	1.3
105.07050	6.7
107.08613	10.1
109.06518	12.9
109.10159	5.9
111.08083	2.5
119.08593	6.2
121.06512	1.3
121.10126	4.9
123.08070	59.9
123.11674	2.4
131.08591	2.9
133.10120	5.3
135.08072	11.9
135.11671	3.4
137.09613	3.8
137.13298	1.4
145.10098	1.9
147.11667	4.1
149.09631	3.5
149.13268	2.7
151.11169	1.4
151.14873	1.0
159.11688	3.0
161.13272	2.9
163.11232	1.5
173.13263	1.3
175.14783	1.2
177.12807	3.7
179.14316	24.5
191.14467	1.3
229.24435	1.2
233.18930	1.1
254.97292	1.1
263.20065	1.3
275.20071	3.8
293.21149	4.2
303.26822	5.5
315.26691	1.1
331.26328	45.0
332.26440	1.8
349.27423	12.7
367.24753	2.6
387.32385	1.1
405.29944	2.2
423.31055	100.0
424.31375	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	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01865	2.8
55.05507	8.5
57.03429	3.0
57.05225	0.8
57.07076	6.0
67.05502	18.4
68.54279	0.8
69.03435	2.9
69.07063	9.4
70.26045	4.4
71.04997	2.5
71.08622	4.8
79.05492	11.1
81.03426	2.0
81.07056	22.1
83.04979	1.5
83.08627	4.7
85.02915	1.1
85.06531	2.6
91.05471	8.4
93.07042	15.8
95.04970	2.1
95.08608	17.7
97.02907	5.7
97.06549	3.0
97.10188	2.3
99.04466	2.5
99.08105	2.5
105.07043	7.6
107.08597	12.2
108.81546	0.9
109.02909	1.4
109.06515	21.4
109.10143	9.4
111.08096	1.8
117.07042	2.7
119.08581	10.0
121.06499	1.7
121.10137	9.0
122.07280	2.4
123.08064	41.4
123.11729	2.4
127.03921	4.4
131.08569	2.9
133.10094	6.5
134.08453	0.8
135.08052	9.4
135.11674	4.4
137.09601	2.0
137.13322	0.9
138.22557	0.8
145.10167	3.2
147.11629	5.1
149.09657	3.2
149.13312	3.0
151.11221	1.1
155.80615	0.9
159.11731	3.9
161.13287	2.0
165.12704	1.7
167.14326	2.2
173.13318	2.8
175.14792	1.2
177.12743	2.4
179.14308	85.0
180.14626	1.8
185.13376	1.0
191.14380	1.7
193.15897	3.6
205.15909	3.5
215.17976	0.9
233.19176	1.0
247.20628	1.0
261.18777	1.1
261.22263	3.1
263.20090	1.2
275.20193	4.3
289.21933	0.9
289.25320	1.4
293.21198	2.3
303.26880	3.7
331.26312	46.2
332.26764	1.7
349.27368	13.0
367.24875	1.7
405.30103	2.0
423.31143	100.0
424.31619	6.8
427.00546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
55.05511	6.3
57.03450	4.0
57.07061	2.8
67.05507	10.2
69.03437	1.0
69.06728	0.9
69.07072	11.2
69.52251	2.2
69.52676	4.6
71.05001	1.7
71.08631	1.8
79.05509	6.0
81.07059	13.8
83.04961	1.8
83.08623	4.4
83.09048	0.8
85.06535	2.1
91.05501	4.2
93.07038	7.9
95.04940	1.3
95.08608	11.0
97.06522	2.8
97.10187	1.3
98.20730	1.6
99.08109	1.2
105.07035	5.6
107.08598	8.6
109.06523	15.5
109.10146	4.6
111.08116	1.8
117.06982	1.4
119.08598	7.2
121.06508	1.5
121.10142	5.2
123.08072	54.2
123.11684	2.3
125.09637	0.8
131.08537	1.7
133.10124	3.7
135.08055	8.6
135.11697	2.6
137.09634	2.4
145.10109	1.9
147.11674	3.3
149.09662	4.1
149.13280	1.8
159.11725	2.7
161.09564	0.8
161.13258	1.9
163.11221	1.2
163.14749	0.8
165.12820	1.4
165.22389	0.8
167.14365	0.9
175.14772	0.9
177.12787	3.1
179.14317	51.8
180.14723	0.9
193.15901	2.4
205.15854	1.7
210.98273	0.9
215.17955	0.8
233.18942	1.3
247.20651	1.4
263.20120	1.9
275.20126	3.6
289.25336	1.2
293.21097	3.3
303.26862	5.8
331.26328	41.9
332.26764	2.2
349.27359	11.5
358.96472	0.8
367.24832	2.2
405.30081	1.6
423.31061	100.0
424.31326	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
55.01867	4.1
55.05506	21.5
57.03426	5.7
57.07066	2.5
59.04994	3.3
59.95663	1.5
65.03941	3.8
67.05503	100.0
69.03426	17.7
69.07065	17.2
70.84821	3.3
70.85149	1.9
71.04990	9.8
73.02877	1.9
77.81271	1.6
79.05491	43.6
80.05819	2.4
81.03420	19.1
81.07055	61.4
83.04977	11.3
83.08614	11.3
84.08155	2.5
85.02893	6.1
85.06550	3.8
91.05480	35.7
93.06474	3.6
93.07042	50.6
95.04982	13.4
95.08604	35.0
97.02892	5.6
97.06527	7.1
97.10170	4.4
99.04436	5.7
99.08060	2.6
104.08599	1.6
105.07032	26.9
107.04956	2.7
107.08586	27.6
109.02886	2.3
109.06514	6.1
109.10159	53.4
111.04427	7.5
111.08076	5.7
113.09639	1.7
117.07022	13.1
119.08579	21.4
121.06506	5.4
121.10139	22.5
123.04467	2.2
123.08064	6.9
123.11711	7.2
127.03927	2.7
128.06229	1.8
129.05479	3.2
129.07028	7.8
131.08537	15.4
133.06505	2.1
133.10118	21.2
135.08058	4.7
135.11699	13.7
137.09605	3.4
141.07071	1.7
143.08591	7.1
145.06538	3.2
145.10094	14.8
147.07991	2.8
147.11676	15.6
149.09601	4.0
149.13258	16.5
151.07591	2.5
157.10110	5.5
159.08017	1.8
159.11714	11.7
161.09644	2.5
161.13255	8.4
163.14809	1.9
169.10115	3.6
171.11707	4.2
173.09561	1.8
173.11743	12.8
173.13257	6.3
175.14856	2.6
177.12791	3.5
179.14310	5.5
183.11722	2.1
185.13232	3.8
187.11191	1.8
187.14774	1.9
189.16304	2.4
195.12009	2.2
195.13789	5.9
197.13266	1.8
199.14928	2.1
203.14377	2.2
211.14931	2.7
241.19470	2.3
243.21011	2.4
259.20569	8.2
261.22153	6.5
273.21988	4.0
277.21567	2.5
279.23242	1.8
285.22250	2.0
303.23181	6.6
331.26419	2.9
341.24460	2.4
345.24228	3.8
351.23215	2.5
369.24255	9.1
387.25330	8.9
405.26190	8.0
423.26965	27.0
423.32132	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16386	2.0
53.03945	7.2
53.19621	2.1
53.52074	1.9
54.17273	1.7
54.90167	2.3
55.01873	8.8
55.05515	38.1
57.03443	15.4
57.07076	9.4
59.05005	2.6
60.67570	1.7
61.02929	2.5
65.03935	4.5
67.05507	98.8
69.03427	23.4
69.07068	38.6
70.62841	7.7
71.01353	3.5
71.04993	9.0
71.08633	4.9
73.02914	4.9
75.04357	2.1
79.05495	77.5
81.03416	34.1
81.07060	100.0
83.04979	12.1
83.08614	16.8
84.08138	3.4
85.02901	12.1
85.06523	6.5
88.63055	1.9
91.05482	64.1
93.07047	86.2
93.07637	4.6
95.04966	20.3
95.07977	3.5
95.08605	74.8
97.02898	8.6
97.06544	9.9
97.10154	4.2
99.04459	8.1
99.08099	3.6
103.03949	5.3
105.07034	58.3
107.04977	9.0
107.08598	52.3
109.02859	4.5
109.06523	25.1
109.10165	37.6
111.04455	9.1
111.08115	5.8
115.03901	2.4
117.07032	22.9
119.08591	47.3
121.06493	6.1
121.10143	35.4
122.07342	2.0
123.04479	3.8
123.08069	54.1
123.11732	10.5
125.09669	3.8
127.03905	4.9
128.06219	3.7
129.05470	5.6
129.06964	11.5
131.08563	36.7
133.06519	4.0
133.10139	37.0
135.08084	14.7
135.11687	26.9
137.05986	2.7
137.09622	8.5
137.13260	3.5
139.11139	3.3
141.06978	4.5
142.07748	3.7
143.08536	11.5
145.06516	2.9
145.10130	27.1
147.08095	3.0
147.11676	27.3
149.09644	7.2
149.13272	17.2
151.11208	2.3
155.08598	6.3
157.10155	8.1
159.08032	3.5
159.11687	22.8
161.09673	3.2
161.13269	15.3
163.11165	4.0
163.14873	6.0
167.08578	4.3
169.10146	6.5
171.11725	9.1
173.11766	5.6
173.13293	16.1
175.11285	4.9
175.14874	7.4
177.12787	6.4
177.16319	2.8
179.14310	53.6
181.10123	4.1
181.49567	2.3
183.11720	6.5
185.13271	8.4
187.11060	2.9
187.14822	7.8
189.12869	4.9
189.16443	3.3
191.14212	2.4
193.15932	2.3
195.13680	2.3
197.13324	4.5
199.11189	2.9
199.14845	4.2
201.12808	2.5
201.16458	2.2
205.15897	3.1
211.11453	2.3
211.14847	2.3
213.12633	2.7
231.13879	3.1
233.19101	2.7
233.97710	2.6
241.19504	3.8
243.21159	4.2
257.15402	2.4
259.20615	12.1
261.22110	21.0
263.20163	2.8
263.23718	2.3
269.19464	3.6
269.22473	2.1
273.22107	4.3
275.20050	4.2
275.23773	3.1
277.21597	5.0
289.21552	5.9
291.23294	4.0
303.23175	8.8
313.21478	3.6
315.23285	4.5
319.22626	3.2
331.22803	3.8
331.26315	36.2
349.27469	9.3
351.23193	3.2
356.72775	2.1
357.24054	3.2
369.24200	13.3
387.25360	9.2
405.26102	11.5
423.31549	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.2
51.90739	1.3
53.03942	3.1
55.01863	2.8
55.05511	15.0
57.03434	6.2
57.07074	6.3
59.05003	1.8
63.56350	1.3
65.03939	2.2
67.05499	55.1
69.03428	4.8
69.07069	16.4
70.97836	1.4
70.98196	2.8
71.04996	5.9
71.08635	4.3
73.02917	1.9
78.71767	1.1
78.85080	1.3
79.05487	28.3
81.03418	2.6
81.07051	44.1
81.07529	2.7
83.04971	4.5
83.08610	8.4
85.02892	2.2
85.06535	3.0
85.40838	1.2
91.05466	19.0
93.07039	39.4
95.04964	5.7
95.08599	31.3
95.09158	2.3
97.02882	26.1
97.06529	4.6
97.10158	2.1
99.04448	13.8
99.08073	3.0
105.07021	15.7
107.08585	21.3
109.02885	5.3
109.06518	17.3
109.10152	29.2
110.07032	1.1
111.08112	4.2
117.07030	4.3
119.01734	1.1
119.08569	14.8
121.06518	2.3
121.10128	23.9
121.10924	1.9
122.07362	1.6
123.08064	51.3
123.11727	4.1
127.03906	7.9
129.07048	3.5
131.08568	9.0
133.10117	12.1
135.08029	9.1
135.11662	10.7
137.09634	4.5
145.04990	3.5
145.10133	7.4
147.11697	5.2
149.09680	2.5
149.13225	8.9
151.11176	1.2
157.10165	2.0
159.11653	7.1
161.13292	4.6
165.12741	2.1
173.11754	4.6
173.13312	4.7
175.14835	2.1
177.12779	4.4
179.14297	58.0
187.14931	2.4
205.15967	3.0
233.19228	1.4
243.21242	1.2
261.19635	1.1
261.22079	6.9
268.19141	1.7
269.19199	1.6
275.20163	3.5
293.21185	2.1
297.18909	1.3
303.26965	5.2
331.26306	45.9
332.12915	1.3
349.27353	11.5
367.25122	2.5
405.30283	2.7
423.31213	100.0
424.31564	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2351
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05505	1.8
67.05489	1.0
69.03426	1.9
70.97837	1.3
75.04473	0.6
76.52555	0.5
79.05491	1.3
81.07070	0.7
83.04983	5.5
84.81918	0.5
85.02890	1.2
87.91891	0.6
91.04958	0.5
91.05495	2.1
93.07044	3.5
95.04943	1.2
95.08637	0.9
105.07027	1.2
107.08612	0.6
111.04428	3.5
119.08567	0.8
121.10165	2.5
121.76463	0.6
122.64803	0.5
129.05486	0.6
145.10098	0.6
145.12675	0.5
149.09607	0.5
160.62982	0.5
349.20013	0.7
353.15686	0.9
423.23557	100.0
424.23846	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	423.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17934	0.6
55.05512	4.0
57.03422	2.4
59.04989	0.9
63.76861	0.6
67.05502	24.2
69.03429	1.1
69.07059	4.5
69.71169	4.9
71.04987	1.1
79.05493	8.1
81.07056	14.9
83.04981	4.0
83.08600	2.5
85.02885	0.9
85.06524	1.6
90.66449	0.7
91.05478	10.2
93.07039	12.5
95.04975	3.9
95.08609	6.2
97.06510	2.5
97.10140	0.8
98.21623	0.7
105.07043	6.3
107.04961	1.0
107.08581	4.6
107.09180	0.7
109.06471	1.8
109.10152	11.6
111.04417	1.9
111.08083	1.0
117.07019	3.2
119.08571	5.6
121.10147	4.5
123.08047	1.6
128.06219	0.7
129.06978	2.6
131.08595	4.2
133.10104	3.1
133.11044	0.6
135.08015	1.0
135.11702	1.7
137.09590	0.9
143.08571	1.9
145.10106	3.1
147.11638	1.9
149.02353	1.8
149.09608	1.0
149.13263	2.1
150.02693	1.0
155.08630	0.9
155.10857	0.6
157.10132	1.9
159.11684	2.3
161.13300	0.8
169.10155	0.9
171.11681	2.0
173.11717	2.6
173.13135	1.2
175.11244	0.7
179.14339	0.9
183.11768	1.0
185.13274	1.6
187.11206	0.7
189.12924	0.8
193.04945	2.0
194.05325	1.3
195.11742	0.8
197.13274	1.2
203.04611	0.8
209.13356	0.7
219.60150	0.7
233.94496	0.7
257.26764	1.7
285.22198	1.1
295.20447	0.8
303.23105	2.1
313.21655	5.2
331.22549	4.4
349.19803	1.5
349.23676	1.5
396.14395	0.7
405.26352	2.1
423.23441	100.0
423.28012	5.2
424.23792	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	423.2349
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
53.03939	0.6
55.05510	4.4
60.21196	0.5
65.03941	0.5
67.05499	2.3
68.98446	0.4
69.03418	3.8
69.07070	0.8
69.78708	3.4
71.01341	0.6
71.04984	1.6
79.05494	2.7
81.03391	0.8
81.07051	2.3
83.04979	13.5
84.08135	0.8
85.02895	2.6
90.00426	0.5
91.05479	3.0
92.18929	0.6
93.07032	8.5
95.04978	2.7
95.08595	1.5
96.94285	0.5
97.02856	0.7
97.06519	1.0
98.21481	0.9
99.04478	1.0
105.07040	2.2
107.04927	0.7
107.08582	1.4
109.10174	0.8
111.04434	8.3
111.05124	0.8
111.08093	0.8
117.07053	1.1
119.08597	2.5
121.06503	0.8
121.10133	5.9
123.08115	0.6
129.05501	1.1
129.06998	0.6
131.08554	2.3
133.10172	0.8
135.08063	1.0
135.11667	0.7
143.08537	0.6
145.10141	1.6
147.04404	0.5
147.08051	0.6
149.09628	1.7
151.07642	0.5
155.08504	1.1
156.03906	0.7
157.04994	0.5
157.10097	0.8
159.11725	0.8
161.09575	0.8
171.11708	0.7
175.11275	0.6
183.11591	0.5
187.99078	0.5
211.14868	0.6
295.15329	1.4
320.14145	0.7
340.86136	0.5
396.48492	0.6
421.15164	0.5
423.23572	100.0
424.23956	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	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93148	0.5
55.05500	0.6
56.27122	0.5
57.03436	0.8
60.04502	2.0
60.05656	0.7
70.97861	1.4
71.05015	2.5
72.08157	6.2
72.73525	0.5
73.04047	1.0
84.04489	0.5
85.02906	3.7
85.04000	0.8
89.10789	1.3
91.05482	2.7
97.07678	0.9
98.06065	0.8
99.04437	3.2
114.10288	18.8
115.08680	6.8
119.04939	11.4
123.75420	0.5
126.06654	0.5
128.07054	0.7
131.12907	0.8
138.10255	0.9
139.08669	0.6
146.08147	2.6
147.04405	100.0
148.04730	2.5
155.12874	1.4
155.17265	0.5
156.11330	1.7
164.09164	0.7
189.08720	1.5
197.13997	1.7
198.12402	0.7
217.13353	8.3
218.11748	8.1
235.14418	5.5
260.13940	12.6
261.12308	1.3
277.16599	24.2
278.16901	0.9
301.16660	2.7
302.15021	2.3
319.17575	2.3
343.17578	4.6
344.15845	3.4
387.20258	0.8
405.21432	1.2
406.19672	0.8
423.22360	64.0
424.22604	3.2
437.43423	0.5
437.84396	0.6
444.87494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26017	0.4
52.62805	0.4
55.05521	0.5
57.03435	0.5
59.58240	0.3
60.04510	1.6
60.05653	1.8
70.73946	0.4
70.74267	0.6
71.04987	2.6
72.04482	0.5
72.08155	9.7
83.04950	0.4
84.04487	0.6
85.02898	4.9
85.04009	0.8
86.06083	0.5
89.10773	1.6
91.05474	3.3
97.07648	1.5
98.06034	1.0
99.04443	3.4
105.12697	0.3
110.05999	0.6
114.10290	23.5
115.08707	4.4
119.04936	11.1
128.07059	0.5
129.05489	1.1
131.12889	2.7
138.10281	1.0
139.08656	0.8
146.08116	3.4
147.04407	100.0
148.04724	2.4
155.12923	0.9
156.11359	1.8
157.10751	0.7
164.09192	0.8
180.11279	0.5
189.08684	0.5
197.14003	1.7
207.26791	0.4
217.13319	6.6
218.11729	5.8
235.14380	3.3
260.13940	9.2
260.16669	0.6
261.12143	0.6
277.16595	20.4
278.16907	0.8
301.16766	0.8
302.15027	1.5
319.17554	2.2
343.17639	3.1
344.16064	1.4
353.18549	0.4
387.20276	0.8
405.21271	0.7
406.19693	0.8
423.22366	56.6
424.22614	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	423.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
55.05510	16.4
56.96574	2.7
57.03432	4.7
57.07078	2.8
59.04990	4.7
65.03938	4.3
67.05504	100.0
67.41496	1.5
69.03420	3.9
69.07069	11.8
71.04988	5.2
71.57677	3.0
77.03965	1.8
79.05493	22.8
81.03436	2.3
81.07056	47.5
82.07430	1.6
83.04984	22.9
83.08624	12.9
85.02911	4.6
85.06522	5.0
86.09739	1.6
88.44801	1.7
91.05478	20.6
93.07042	38.3
94.18653	1.4
95.04973	7.2
95.08617	16.5
97.02908	1.4
97.06518	5.3
99.04446	2.5
100.07641	1.9
103.25702	1.6
105.07003	9.1
107.08598	23.4
109.06528	4.1
109.10152	51.6
111.04454	13.9
111.08099	6.0
113.06008	2.3
117.07024	4.7
119.08604	11.4
121.06509	1.9
121.10128	17.6
123.08052	7.4
123.08890	1.6
129.06993	1.7
131.08548	6.6
133.10126	6.9
135.08060	3.2
135.11702	7.6
137.09634	3.9
142.36314	1.7
143.08623	3.9
145.10147	4.6
149.09596	3.3
149.13249	15.7
157.10162	2.0
159.11690	7.0
171.11705	2.0
173.11749	17.1
177.12772	4.5
179.14334	5.4
195.13829	4.5
303.26559	2.1
331.26306	6.0
349.27512	2.2
367.17975	1.8
423.21484	10.3
423.27322	25.2
423.31210	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	423.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01874	3.0
55.05515	24.0
56.96570	3.6
57.03439	9.0
57.07067	3.7
59.05000	2.4
65.03941	3.3
67.05506	100.0
67.71564	2.2
69.03432	7.7
69.07076	15.5
69.64786	2.7
71.01370	4.3
71.04982	6.6
71.58546	4.4
73.02949	2.3
79.05493	35.9
81.03424	3.4
81.07059	54.7
82.44233	2.7
83.04986	48.0
83.08615	14.1
83.50380	2.4
84.08175	3.2
85.02928	6.2
85.06541	6.9
86.09708	4.1
91.05487	34.6
93.07046	58.0
95.04967	15.5
95.08616	24.0
97.06535	8.4
100.07647	3.8
105.07017	17.7
107.05002	3.3
107.08602	27.2
109.06528	13.5
109.10152	52.9
111.04449	30.4
111.08091	8.7
117.07021	8.7
119.08584	18.0
121.06532	3.5
121.10165	27.6
123.08042	16.7
129.05518	4.5
129.06993	2.9
131.04944	6.3
131.08614	7.6
133.10147	10.8
135.08038	7.2
135.11700	8.2
136.06200	4.7
137.09711	3.5
145.10152	7.2
147.08051	3.0
147.11624	2.9
149.09616	9.1
149.13266	16.9
155.10640	5.9
157.10185	4.4
159.08072	2.8
159.11671	11.1
169.10071	3.5
169.36504	2.4
171.11734	3.2
173.11754	17.5
173.13170	5.1
177.12813	5.9
179.14314	20.7
184.07312	4.5
185.13232	4.0
195.13870	7.1
299.82864	2.7
309.14651	2.6
313.21997	2.7
331.22672	4.9
331.26230	22.0
349.27536	3.4
423.21426	47.2
423.27118	19.4
423.31256	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	423.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44850	6.3
55.01868	7.2
55.05515	37.5
57.03434	10.7
57.07069	10.1
59.05006	6.5
63.16448	5.2
67.05507	100.0
69.03422	22.0
69.07072	28.0
69.92618	21.2
69.93028	11.9
71.05010	7.3
77.26823	6.1
79.05489	41.2
81.07066	52.1
83.04988	67.2
83.08624	15.0
84.08131	6.0
85.02890	12.0
91.05480	34.2
93.07041	71.2
95.04973	20.1
95.08619	35.5
99.04375	6.5
100.07592	6.9
103.05447	8.6
103.73750	5.9
105.07041	27.6
107.08607	37.3
109.06483	10.7
109.10156	49.2
111.04433	46.6
111.08096	10.9
117.07043	10.6
119.08587	32.2
120.40604	5.5
121.10130	49.1
123.08076	9.5
123.11687	12.3
129.05482	6.7
129.06987	7.2
131.08562	23.1
133.10112	16.4
135.11699	5.7
143.08569	10.7
145.10187	12.6
147.08076	7.1
147.11696	20.5
149.09624	9.4
149.13315	16.7
155.35756	6.5
157.10161	9.7
159.08128	7.0
159.11702	18.0
161.09637	5.8
165.12619	5.9
167.87839	7.0
173.11739	11.5
173.13213	8.9
179.14302	18.8
183.11716	6.8
185.09654	7.0
185.13284	8.1
195.13840	7.1
215.17969	7.2
240.23189	11.6
289.51337	7.8
315.40506	6.3
331.26340	10.4
349.27362	6.3
423.21298	39.0
423.27048	24.0
423.31134	23.6
423.36407	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	423.2022
Annotation	CHEBI:59526
Peak:m/z	Relative Intensity
51.25414	0.8
52.09669	0.9
52.45102	0.8
55.05498	1.4
60.05638	1.0
65.03929	1.4
70.06590	2.0
70.12425	0.8
70.71645	0.9
70.71981	2.4
72.08153	22.9
75.43575	0.9
77.23683	0.7
81.06994	0.8
82.02939	1.2
84.08106	1.8
86.09712	1.8
91.05476	10.9
97.07643	11.7
98.02394	1.9
105.07011	0.9
107.04943	1.1
110.02396	46.8
112.08713	1.6
114.10284	75.5
115.08681	3.2
115.10655	1.0
119.04106	1.4
119.04933	23.0
121.10148	0.9
125.91809	0.7
130.44583	0.8
131.12888	1.5
147.04396	100.0
148.04785	1.1
151.08640	3.2
152.07050	34.2
169.09737	2.3
194.09262	5.4
211.11882	10.1
213.09030	2.0
217.13292	4.9
218.11740	5.0
234.71248	0.8
235.14410	1.0
236.06602	0.8
259.15533	6.2
260.14001	5.8
260.44952	0.9
277.13629	1.0
277.16583	20.5
277.19510	1.3
342.92706	0.8
364.15457	1.5
381.18311	1.2
423.20239	99.9
424.20346	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1431
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
50.85146	0.5
50.94613	0.5
52.29971	0.6
52.64834	0.5
57.03442	0.7
58.99578	5.9
61.02900	0.9
65.03904	0.6
67.05500	8.1
69.03425	4.6
69.07066	18.6
70.06582	0.7
70.63850	1.1
70.64214	1.2
76.02222	3.0
81.03393	1.6
84.08105	0.9
85.02905	8.1
88.04002	0.6
93.07054	0.8
95.04968	2.8
95.20734	0.6
97.02905	4.5
98.20799	0.6
99.02666	2.4
99.04460	1.4
101.04239	42.3
109.02873	1.4
110.06018	1.0
111.04456	0.8
112.04008	0.6
112.07589	2.1
114.10281	1.9
119.04919	0.6
122.02740	1.2
126.05508	1.1
127.02152	4.9
127.03899	2.2
127.05755	2.3
128.35680	0.6
129.03658	2.0
135.04390	0.9
136.07625	0.7
138.05469	0.7
140.07071	8.9
142.06876	0.6
145.02850	1.0
145.04922	1.2
147.04422	6.5
152.05318	0.9
155.01585	1.7
163.03897	5.3
170.06340	2.7
171.01501	0.6
172.04269	100.0
173.04649	1.6
175.04170	1.0
180.04814	1.0
182.08110	3.5
197.07507	2.8
198.05864	5.6
206.08173	0.6
214.05295	9.0
215.08488	6.8
216.06850	0.7
238.05252	0.6
244.06403	11.1
261.09061	18.6
277.16504	1.4
284.11130	0.9
286.07477	2.0
303.10071	2.1
316.08356	1.1
334.09518	5.2
339.10153	1.0
342.10175	0.7
359.12753	1.1
377.13821	9.2
377.18341	1.1
388.10654	0.8
406.11609	0.6
423.14297	36.2
423.22516	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96580	7.8
69.03429	11.6
69.07064	9.6
69.48438	60.1
81.83162	6.8
84.04484	7.3
84.08170	14.8
85.02907	8.2
92.98655	7.9
94.06618	6.5
98.97587	7.9
100.07614	8.8
101.04252	23.7
116.98654	10.5
119.01962	13.0
119.04964	7.0
133.03384	11.1
138.95493	7.0
142.08713	7.6
147.04410	19.7
161.03008	11.1
165.03088	7.8
172.04286	49.7
188.52950	6.4
192.31714	6.9
214.05388	8.5
250.33946	7.1
253.07671	8.3
261.09137	12.6
277.07755	17.1
295.09082	7.5
312.08762	12.5
379.09998	9.7
423.08698	100.0
423.15210	33.4
423.21994	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	423.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05516	0.7
56.05030	0.8
56.96554	0.6
57.03416	1.2
58.99580	6.9
60.04517	0.7
61.02914	1.6
65.03941	1.2
66.92991	0.5
67.05170	0.8
67.05497	8.1
69.03137	0.5
69.03430	6.0
69.07064	17.4
70.06583	1.9
70.93883	1.1
71.04981	1.3
72.08154	3.6
73.02890	0.7
74.06081	0.8
76.02226	3.2
79.05453	0.6
81.03418	2.7
83.04959	1.5
84.04481	1.4
84.08129	1.5
85.02898	9.6
85.89333	0.6
86.99056	0.6
88.03974	0.8
89.03899	1.5
89.12114	0.5
91.05482	1.6
93.06977	0.5
95.04970	4.7
96.04518	0.7
97.02895	4.2
98.97584	0.8
99.02660	2.6
99.04435	2.3
101.04236	43.1
107.04948	0.9
109.02859	1.7
110.06016	1.5
110.07168	0.6
111.04425	1.6
112.07596	2.3
114.10281	6.1
115.08700	1.1
116.98594	0.7
117.03358	1.5
119.04917	2.6
120.01109	0.6
120.08114	0.6
122.02720	0.8
122.06000	0.6
124.03985	0.6
126.05490	1.0
127.02136	6.6
127.03869	2.5
127.05771	2.6
129.03677	2.2
129.10289	0.5
131.00122	0.7
133.13556	0.5
135.04407	4.5
136.07599	0.7
137.05882	0.6
138.05440	1.1
139.03897	2.0
140.07065	8.5
144.04811	0.6
144.13789	0.6
145.02803	3.0
145.04968	1.4
146.08083	1.2
147.03214	1.2
147.04396	24.4
154.03197	0.7
155.01559	1.4
160.07504	0.6
163.03894	20.6
164.04192	0.6
170.06375	3.2
171.01117	0.9
172.04260	100.0
173.04625	1.2
175.04250	0.9
180.04764	1.8
181.04938	0.6
182.08130	3.2
197.07442	2.2
198.05791	4.4
206.08092	0.8
214.03432	1.2
214.05315	9.9
215.08488	6.9
217.13371	1.6
218.11754	1.7
235.14433	0.6
243.04939	2.5
244.06383	10.6
248.09155	0.8
257.09384	0.9
260.13913	2.8
261.09039	18.8
277.16595	5.2
286.07382	2.4
302.12256	1.1
303.10001	1.8
316.08554	0.8
319.07745	1.1
334.09470	4.0
339.10034	1.0
359.12375	0.8
360.83276	0.6
377.13727	8.8
423.09488	1.8
423.14236	33.2
423.22314	17.2
424.14767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
57.03427	0.6
61.35627	0.2
62.41301	0.2
65.65117	0.2
67.02945	0.3
67.05496	1.8
68.11678	0.3
69.07054	0.7
70.06596	0.6
70.71867	0.8
70.85549	0.2
71.04981	0.3
72.08135	0.4
73.02905	0.5
79.02914	0.2
79.05482	1.4
81.03390	0.3
81.07056	2.1
83.04954	0.2
83.08628	0.2
84.08141	0.5
86.09720	0.3
91.05478	0.8
93.07043	1.4
94.04037	0.6
95.04983	0.3
95.08587	0.6
97.06537	0.9
101.33058	0.2
105.07027	0.7
107.08588	0.9
109.10133	0.3
111.08074	0.3
117.07005	0.5
119.03536	1.7
119.08611	0.4
119.59454	0.2
120.08070	0.3
121.10154	0.6
123.11710	0.2
131.08591	0.3
133.10146	0.5
135.11682	0.3
136.06181	100.0
137.04628	1.8
137.06514	1.0
149.13240	0.5
159.11696	0.4
163.03864	0.3
174.07745	0.3
257.40384	0.2
258.11124	0.3
269.17441	1.7
279.40976	0.2
283.20596	0.5
286.10657	0.4
286.16492	0.7
287.05429	0.4
288.05991	0.7
289.06107	0.8
290.06329	1.5
301.21603	0.5
306.61420	0.3
330.19238	9.7
348.20435	1.9
351.14081	0.3
386.21786	0.2
404.22888	6.7
422.23981	29.9
423.24008	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	13.4
57.03423	5.6
57.75337	4.9
67.05495	6.0
69.07079	8.4
71.57255	7.9
72.08147	5.5
84.04469	6.4
84.08137	19.6
85.02893	8.8
95.62160	6.8
98.97581	10.7
101.04230	21.8
108.61424	5.5
119.01931	9.3
119.05002	8.3
127.02230	7.4
145.03502	6.6
146.99617	6.9
147.04411	11.5
157.03485	10.1
172.04247	40.9
175.04437	8.9
179.30109	6.4
180.58926	6.6
185.02986	7.1
232.88503	7.1
235.06700	8.7
247.06769	8.0
253.07722	13.1
261.09171	10.9
274.34427	6.5
277.07748	11.8
295.08755	9.8
312.08698	14.4
337.08322	6.1
379.10046	11.5
423.09018	100.0
423.14853	39.3
423.21927	9.8
424.09402	7.8
429.94247	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	422.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
55.05508	1.5
56.05028	3.4
57.03421	1.1
59.15625	0.8
62.06099	1.0
67.05487	1.9
69.03421	1.7
69.07064	1.6
69.88259	2.0
69.88654	1.8
70.06586	1.8
71.04986	0.8
72.08155	1.4
73.02893	0.8
74.06085	8.6
76.02222	0.9
76.08539	0.8
79.05480	1.8
81.03428	2.1
81.07059	1.8
83.04989	2.0
84.04505	3.4
84.08120	1.6
85.02901	1.6
86.09705	100.0
87.10053	1.1
91.05483	4.1
93.07045	3.5
95.04975	2.4
95.08593	1.1
97.02913	2.3
98.21406	1.0
99.05576	1.0
103.05488	1.0
105.07031	2.2
107.04948	0.8
107.08600	0.9
109.02946	0.7
109.10164	0.9
116.10732	0.9
117.07003	0.8
119.08572	0.9
120.08114	14.6
120.08934	1.4
121.10161	0.8
123.04430	1.9
126.05506	6.0
127.03951	0.9
130.04962	0.8
131.08577	0.8
132.65495	0.7
133.06487	1.1
133.10092	1.0
136.06169	3.0
137.02357	1.0
137.05965	1.3
139.12297	0.9
141.20726	0.8
144.06566	1.1
145.06474	0.9
147.04399	1.4
151.03922	0.8
161.06058	1.0
163.03955	0.9
166.08649	4.9
173.13396	1.0
174.07617	0.8
181.05038	1.1
190.70088	0.8
191.13707	0.8
195.11320	3.7
211.14464	1.0
217.08850	0.8
239.13853	8.2
239.15903	0.8
241.07263	0.8
250.18152	0.9
250.22932	0.8
279.17117	6.3
302.14890	0.9
346.42804	0.9
351.14941	0.8
360.18964	0.9
420.34143	0.8
422.23999	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	8.6
57.03418	8.8
67.05492	13.6
69.03135	4.0
69.03424	44.3
69.07079	6.0
70.06578	10.5
70.84231	9.5
70.84566	4.6
72.08136	7.4
79.05464	15.8
80.05000	6.3
81.03403	5.6
81.07069	20.8
85.02888	7.1
86.09660	6.0
87.04476	5.1
91.05457	25.3
93.07041	77.6
95.04968	19.8
95.06068	5.0
95.08595	13.3
97.02868	13.4
99.04459	4.5
105.06970	8.9
107.08568	15.2
109.02882	4.6
109.10181	4.4
114.10281	7.1
115.03862	4.6
118.98399	4.1
119.04858	5.2
119.08601	8.0
120.08086	4.9
121.10143	73.6
122.02693	18.0
123.08062	4.2
124.03941	100.0
131.08542	14.2
136.06181	91.6
139.11203	5.1
147.04355	16.7
149.09610	21.2
175.03760	6.4
191.10570	10.7
201.16484	4.2
260.09158	5.0
260.42984	4.4
281.13773	38.1
283.48563	4.5
299.14908	56.4
330.19290	9.9
377.01782	30.4
379.09952	17.8
386.20120	7.4
394.97067	4.3
395.02658	24.6
422.18573	4.8
422.23907	26.0
423.08865	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	422.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01859	2.9
57.03429	4.0
58.99586	15.6
67.05501	5.4
68.99776	3.4
69.03432	5.5
69.07052	8.1
70.06573	6.5
70.08133	2.6
70.11832	14.2
71.04976	3.4
72.08146	8.3
74.00658	5.7
76.02222	77.6
76.04005	4.3
79.05494	13.1
81.04527	4.4
81.07030	4.3
83.04966	5.7
84.04039	4.4
84.04495	44.5
84.08125	5.8
85.02869	8.5
85.04031	13.6
86.06108	2.6
86.99009	3.6
88.03987	4.7
89.03899	4.0
91.05454	6.8
92.01705	2.7
93.07027	6.5
95.04942	11.6
97.02914	3.0
97.06524	100.0
99.05568	5.4
107.08561	5.5
111.05588	3.2
113.03500	3.6
114.10272	16.7
116.01678	28.2
117.03366	4.1
119.04926	11.7
119.08569	5.2
121.02880	3.2
123.04394	4.8
125.07079	6.0
128.07101	3.8
130.05002	32.3
131.04527	5.2
135.03491	2.7
135.04361	13.1
135.08049	5.2
139.03918	5.0
142.03230	6.2
143.08180	4.2
144.01141	13.2
145.02805	6.5
145.06071	3.3
147.04405	63.4
147.07832	4.4
154.06822	12.1
155.05014	2.8
160.00581	3.2
162.02202	46.4
163.03905	57.6
172.07855	6.0
177.03288	21.2
179.04848	94.4
187.05396	3.3
210.11263	2.8
218.11644	3.8
233.05858	23.4
241.15343	4.9
242.15747	4.8
243.05016	6.0
257.09506	11.1
259.16498	5.8
260.14014	7.7
260.16846	13.3
277.16589	14.7
308.09012	29.4
324.72440	3.7
370.42111	3.3
422.13983	6.7
422.21692	8.1
423.09378	4.3
423.22336	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	422.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
56.05024	0.4
56.96562	1.0
57.03424	1.0
58.06598	0.3
60.04517	0.4
61.02918	0.9
69.03433	2.3
70.06594	2.2
71.04992	0.6
71.57904	0.5
72.08141	0.8
73.02916	0.8
74.00642	0.4
76.02229	0.7
78.01812	0.6
81.03412	1.2
83.04964	0.3
84.04496	1.1
84.08139	2.8
85.02911	6.9
86.06052	0.4
86.09680	0.6
87.02639	0.4
87.04459	0.3
88.03961	0.4
89.03931	0.4
91.03920	0.4
91.05473	0.7
95.04972	0.5
97.02895	2.6
98.06052	0.3
98.97591	1.1
100.02197	1.6
100.25139	0.3
101.02529	0.7
107.04956	0.5
109.02901	0.8
110.07117	0.4
111.04455	0.3
115.02162	2.6
116.98615	0.8
120.01161	1.5
120.08056	0.4
123.04427	0.3
127.03927	1.5
127.99306	0.4
128.98604	0.4
129.10246	0.8
130.05072	0.4
130.06514	0.4
134.99675	0.6
135.04402	1.0
137.05995	0.8
139.03926	0.6
143.01624	20.3
145.05014	0.7
146.02715	1.4
147.03113	0.6
147.04366	0.5
158.99731	0.4
161.01202	0.5
161.02644	0.3
163.03909	2.2
171.01114	100.0
172.01472	1.6
177.00679	0.4
181.04523	0.4
183.68323	0.4
190.98709	0.3
215.08333	0.3
217.05528	0.3
219.01775	0.4
228.05328	0.5
237.02824	0.7
242.01239	0.3
246.06474	0.4
260.05872	10.7
302.07181	0.4
386.08853	0.5
423.08905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
51.66925	0.4
53.03948	2.6
55.01859	1.3
57.03418	1.2
69.03076	0.7
69.03424	9.8
70.06583	0.9
71.04987	1.3
71.10273	0.9
71.61011	0.4
72.08131	0.6
73.02895	0.9
75.07428	0.4
78.03448	16.5
80.05018	2.4
81.03414	22.1
85.02428	0.7
85.02903	8.2
86.09686	0.8
91.05500	0.5
93.07066	0.5
94.06358	0.4
96.02109	1.6
96.04485	6.9
97.02895	5.6
99.04456	3.8
106.02908	74.2
107.03236	1.1
109.02877	14.2
111.04427	0.4
111.60442	0.4
119.08572	0.9
124.03945	100.0
125.04259	1.4
127.03910	9.6
133.02759	0.6
137.02328	54.2
138.02654	1.6
145.04956	1.0
147.04382	0.4
155.03406	0.8
163.03810	0.6
166.04944	1.3
196.06010	0.7
203.03481	0.5
208.06010	0.7
232.06021	1.3
250.07091	33.1
251.07509	1.1
260.32721	0.4
268.08133	36.1
269.08453	0.9
404.09726	23.1
405.10251	1.3
422.10757	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	421.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01877	6.3
55.05507	19.5
57.03440	14.0
57.07074	12.6
62.61686	1.2
65.03927	1.6
67.05173	2.3
67.05502	31.2
69.03416	3.0
69.07067	37.3
69.49706	5.5
69.50126	4.6
71.04971	3.7
71.08636	2.5
79.05492	18.0
81.07056	41.8
83.05003	6.6
83.08632	7.6
85.06548	8.2
91.05478	12.0
93.06473	2.3
93.07046	34.0
95.04956	7.3
95.08605	33.5
97.06547	14.0
97.10167	1.9
99.08099	1.9
105.07030	12.0
107.08593	32.9
109.06518	24.5
109.10176	9.3
111.04431	8.5
111.07367	1.3
111.08071	7.4
117.06998	2.3
119.08594	11.0
121.06492	2.2
121.10152	10.6
123.08070	16.6
123.11710	4.4
125.05981	9.5
128.36514	1.3
129.07014	2.0
131.08534	3.5
133.10121	8.5
135.08054	30.8
135.11679	19.7
137.05972	22.9
137.09601	2.6
137.13312	2.4
139.07584	2.3
143.08475	1.7
145.10123	6.7
147.08051	1.4
147.11681	4.9
149.09639	5.9
149.13263	3.5
151.07535	9.9
151.11169	2.0
153.12769	5.6
157.10181	2.0
159.11656	2.1
161.09634	5.5
161.13255	3.6
163.11189	6.7
163.14841	1.7
165.12762	6.7
167.14386	2.8
175.11166	2.8
175.14844	1.3
177.12730	9.7
179.10730	2.0
179.14282	8.5
181.12276	10.9
189.12813	1.8
191.14304	2.0
193.12254	3.6
195.13753	1.8
204.02126	1.4
205.15977	2.3
207.13783	1.6
217.14381	2.8
219.17429	2.0
221.18958	5.1
235.20609	6.8
249.18608	1.8
263.20102	6.7
277.21588	2.3
287.23865	2.0
295.04077	1.3
303.26669	1.9
305.21533	3.2
305.24728	88.4
306.24960	2.1
319.22897	2.8
319.26334	27.8
329.21335	1.3
329.24619	6.5
337.27414	2.4
347.25803	100.0
348.26193	3.5
365.26837	10.8
393.29889	8.1
403.28476	6.0
421.24298	2.8
421.29526	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	421.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.7
55.01860	9.4
55.05508	20.9
57.03433	14.5
57.07073	17.4
62.43842	2.8
67.05505	37.3
69.03420	3.0
69.07063	35.9
69.99747	4.2
70.00145	10.3
71.04987	4.6
79.05492	29.8
81.03416	4.5
81.07053	45.5
83.04967	6.5
83.08607	11.4
84.10760	2.5
85.06532	11.9
91.05473	21.8
93.07047	39.3
95.04968	11.5
95.08608	34.7
97.06523	16.2
97.10148	2.6
102.65524	2.3
105.07028	20.0
107.04980	3.2
107.08594	35.0
109.06513	25.2
109.10136	11.5
111.04446	5.7
111.08064	5.4
117.07012	5.7
117.08462	2.6
119.08608	16.3
121.06477	6.6
121.10123	13.1
123.08086	15.9
123.11713	4.5
125.05984	8.2
125.09638	2.4
129.07010	2.4
131.08546	7.7
133.10130	13.0
135.08052	85.2
135.11659	17.1
137.05963	17.8
137.09595	4.2
137.13243	3.8
139.07518	2.7
143.08635	3.1
143.98059	2.9
145.10098	11.2
147.08144	3.9
147.11719	6.5
148.08929	2.1
149.09624	9.2
149.13261	5.6
151.07549	8.8
153.12743	5.1
159.11755	6.0
161.09654	11.9
161.13228	4.5
163.11191	5.7
163.14977	2.4
165.09192	3.2
165.12791	7.2
170.11708	2.3
173.09602	2.6
173.13300	3.8
175.11200	3.1
175.14761	3.1
177.12711	21.1
179.14301	7.5
181.12259	5.7
189.12842	3.3
191.14308	4.0
193.12292	5.1
203.14265	2.6
205.15901	3.3
207.13907	2.5
215.26822	2.2
221.18973	4.9
235.20528	3.1
263.20129	3.1
277.21521	3.1
305.24734	61.1
319.26340	26.3
329.21017	6.0
329.24771	22.2
337.27188	4.0
347.25815	100.0
348.26102	3.3
365.26892	10.5
393.29935	10.2
403.28613	7.2
421.29544	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01866	5.0
55.05507	10.2
57.03437	11.3
57.07074	40.3
67.05501	15.8
69.03426	1.6
69.07066	11.8
71.04977	2.5
71.08610	1.4
72.92804	0.8
79.05492	11.6
81.07050	27.9
81.07529	1.9
83.04958	4.2
83.08624	5.0
85.06539	18.2
91.05471	9.8
93.07041	14.8
95.04955	3.3
95.08608	20.1
97.06531	4.9
97.10178	1.2
98.21531	1.6
99.08070	1.1
105.07035	9.5
107.07879	0.9
107.08603	15.4
109.06512	19.6
109.10146	7.6
111.04439	3.7
111.08083	3.7
117.06992	1.6
119.08563	10.7
121.06499	2.2
121.10127	9.1
122.73049	0.8
123.08064	11.4
123.11722	4.6
125.05990	2.9
125.09577	1.0
131.08568	2.2
133.10136	6.8
135.08046	15.9
135.11674	3.9
137.05980	26.4
137.09642	2.2
137.13290	1.9
139.07538	1.9
143.08556	1.9
145.10121	5.6
147.08035	1.7
147.11682	5.9
149.09625	3.7
149.13277	3.9
151.07568	7.2
151.11176	4.3
153.12790	2.4
157.10146	1.7
159.11685	2.9
160.33502	0.7
161.09601	3.3
161.13289	2.3
163.11171	2.5
163.14784	0.9
165.09117	2.9
165.12772	9.3
167.10696	1.1
167.14308	1.3
171.11729	1.4
173.13313	2.2
175.11154	3.0
177.09135	0.9
177.12762	8.3
179.10669	1.3
179.14262	3.9
181.12259	1.0
185.13222	1.3
191.14334	2.7
193.12277	3.2
195.13791	1.5
205.15898	1.2
207.13802	10.7
209.10553	0.8
213.16487	0.9
221.19031	1.1
231.17471	2.1
233.19014	2.4
245.19044	0.9
249.18413	1.2
263.20004	4.5
277.17953	2.0
291.19519	1.4
301.21658	1.1
301.25198	2.4
305.24786	1.8
319.22818	0.6
319.26291	15.8
329.21277	1.7
329.24817	4.7
337.27277	6.4
347.25793	100.0
348.26166	2.6
365.26849	20.3
393.29984	11.1
394.30441	0.8
403.28638	1.9
421.29547	44.7
422.29709	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01872	4.3
55.05515	12.3
57.03439	13.8
57.07074	44.7
65.03950	1.4
67.05503	21.0
69.03445	2.1
69.07069	13.7
70.75294	4.3
79.05496	15.4
81.03440	1.9
81.07056	30.8
83.04984	5.5
83.08615	6.3
85.02908	1.7
85.06544	17.7
91.05477	12.7
93.07048	19.5
95.04990	7.7
95.08608	25.3
97.06535	6.3
97.10183	3.4
105.07031	13.2
107.04944	2.1
107.08582	21.6
107.69889	1.3
109.06515	18.1
109.10150	12.6
111.04466	4.1
111.08103	4.3
117.07037	3.0
119.08585	15.4
121.06519	3.6
121.10162	10.3
123.08084	12.7
123.11683	3.7
125.05981	3.0
125.09618	2.1
126.09101	1.4
128.06238	1.5
129.07027	1.9
131.08600	6.4
133.06453	1.5
133.10126	9.0
135.08054	18.5
135.11708	7.2
137.05974	25.2
137.09538	2.3
137.13255	2.0
138.06712	1.8
139.07547	4.0
143.08603	3.0
145.10120	5.4
147.07986	2.6
147.11659	7.2
149.09625	6.4
149.13249	4.0
151.07539	8.7
151.11205	5.0
153.12718	2.4
157.10158	3.7
159.10394	1.3
159.11722	5.7
161.09706	3.4
161.13239	4.4
163.11195	3.5
163.14952	2.1
165.12762	9.0
171.11679	2.4
173.13300	2.4
175.11174	2.5
175.14801	1.6
177.12762	12.6
179.10684	1.8
179.14255	4.4
185.13203	2.1
189.12805	2.6
193.12260	2.9
195.13681	2.0
199.11290	1.4
203.14362	1.6
203.17899	1.6
205.15614	1.4
207.13873	9.4
211.71104	1.5
231.13928	1.5
233.19034	4.2
245.15524	1.4
245.18935	1.9
263.20035	5.1
291.19601	3.4
299.44476	1.5
301.21609	2.2
301.25171	1.9
305.24832	2.5
310.41016	1.4
319.26318	14.9
329.21017	5.7
329.24713	7.6
337.27356	7.8
347.25812	100.0
348.26141	2.6
349.26453	1.4
365.26959	20.9
393.29959	12.2
403.28726	3.2
421.25351	21.5
421.29605	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	421.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	18.9
55.01870	14.7
55.05523	30.4
57.03433	11.6
57.07071	5.5
65.03967	9.4
67.05506	83.1
69.03427	36.1
69.07062	18.1
71.05000	10.3
71.58559	9.4
79.05059	7.7
79.05495	77.9
81.03423	39.0
81.07059	72.4
83.04988	28.1
83.08608	13.3
85.02902	13.4
89.27592	4.6
91.03972	4.7
91.05484	100.0
93.07046	86.5
95.04955	36.9
95.08611	54.2
97.02901	40.2
97.06536	6.9
97.10163	6.7
99.04449	30.3
101.02360	5.6
105.07040	84.9
107.04959	16.4
107.08600	53.2
109.02874	12.7
109.06512	15.4
109.10169	32.3
111.04451	19.5
111.08068	9.7
117.07011	36.9
119.08587	73.5
121.06524	12.6
121.10123	40.7
123.08053	15.8
125.02372	6.0
127.03926	38.2
128.06248	9.3
129.07039	23.8
131.08559	40.8
133.10130	53.9
135.08057	12.3
135.11664	26.1
136.06171	5.8
137.09662	6.7
142.07799	7.8
143.08583	22.0
145.10130	34.7
147.08005	12.0
147.11678	42.1
149.09630	11.0
149.13239	16.6
157.10103	15.2
159.08054	9.9
159.11725	28.8
161.09602	5.5
161.13266	18.5
163.11292	7.1
163.14842	6.4
169.10139	14.7
171.08073	5.5
171.11711	21.7
173.13298	16.2
175.11250	7.9
175.14799	8.9
183.11681	8.2
185.13258	19.8
187.14934	7.6
189.09102	9.2
193.12283	10.7
201.12848	7.0
213.12708	6.7
231.21059	7.9
241.19487	14.4
257.19080	12.1
259.20605	66.9
277.21637	15.6
301.21548	6.9
311.20090	10.4
313.21661	9.2
324.46283	4.9
329.21060	25.9
343.22498	8.3
347.21915	5.7
349.35040	5.4
355.22641	7.8
367.22656	9.7
385.23752	14.8
403.24835	34.3
421.25732	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	421.2563
Annotation	Arg Val Phe
Peak:m/z	Relative Intensity
53.03935	1.3
54.89748	0.8
55.05505	2.8
55.60925	0.9
57.03418	1.3
57.07058	0.9
67.05513	5.6
69.03416	1.4
69.07053	2.5
71.59132	0.9
71.59512	1.3
73.68423	0.7
79.05477	3.8
81.03421	1.7
81.07053	6.4
81.67046	0.8
83.04971	1.8
83.08595	1.4
83.17609	0.9
84.08148	1.1
86.09660	0.8
91.05472	3.8
93.07043	5.4
95.04955	2.9
95.08605	5.0
103.05457	1.1
105.07007	3.3
107.04980	1.3
107.08566	4.1
109.06457	1.2
109.10124	3.0
117.06986	2.0
119.08561	3.5
121.06548	1.2
121.10133	2.6
123.08057	0.8
124.50718	0.9
129.07010	1.3
131.08574	2.1
133.10080	2.7
135.08028	5.4
135.11650	1.0
145.10100	2.4
147.11658	2.1
149.09616	1.6
157.10124	1.1
159.11671	2.1
161.09567	1.1
173.13161	1.5
177.12691	2.6
199.14520	0.9
212.03676	1.3
301.21716	1.3
329.20984	2.7
329.24844	2.9
347.25934	2.0
393.25946	1.8
403.24625	2.6
421.25500	100.0
422.20245	1.9
422.25882	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	421.2583
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03959	7.4
55.01865	12.3
55.05513	37.2
57.03432	10.9
57.07079	7.6
61.02912	3.6
65.03952	3.6
67.05506	78.1
69.03430	17.4
69.07064	21.2
70.84163	10.5
71.01363	4.0
71.04993	8.5
73.02927	6.2
79.05495	65.8
79.05943	2.3
81.03431	26.1
81.07056	68.3
83.04561	2.9
83.04958	16.7
83.08620	11.0
85.02904	14.2
85.06556	6.9
91.05483	97.2
93.07045	87.3
93.07635	4.7
95.04972	31.0
95.08612	46.9
96.35716	2.8
96.77690	2.7
97.02892	13.8
97.06541	9.6
97.10182	7.8
99.04475	6.1
99.08105	3.4
101.06079	2.9
103.05437	5.5
105.07034	100.0
107.04936	8.7
107.08597	42.7
109.02878	5.5
109.06521	10.0
109.10146	24.8
111.04446	10.3
111.08060	6.2
115.05434	8.0
117.07008	39.7
119.08583	81.4
121.06538	9.4
121.10133	36.5
123.08096	7.4
123.11745	6.0
125.09650	4.7
128.06226	6.7
129.05530	3.8
129.07028	33.2
131.08565	62.5
131.80742	2.6
133.06509	9.9
133.10120	55.2
135.08101	13.3
135.11687	26.8
136.06212	3.1
137.09669	3.3
141.06987	6.3
142.07796	8.2
143.08589	24.8
145.06508	7.9
145.10118	57.4
147.08072	9.5
147.11697	43.1
149.09644	6.9
149.13277	10.8
155.08585	11.4
157.06517	4.0
157.10120	22.0
159.08055	6.9
159.11693	48.9
161.06093	2.8
161.09627	10.0
161.13260	26.8
163.11200	5.6
163.14880	5.6
167.08588	4.6
169.06406	3.1
169.10120	15.8
171.11691	25.5
173.09778	4.9
173.11882	4.7
173.13225	24.8
175.11229	8.6
175.14789	12.6
177.12741	6.0
181.10141	5.3
183.08037	4.1
183.11754	17.0
185.09715	5.0
185.13214	19.6
187.11183	10.0
187.14857	10.4
189.12756	6.2
195.11731	7.2
197.09627	3.6
197.13289	10.4
199.11186	5.9
199.14825	9.1
201.12912	3.7
203.10733	3.2
209.13364	5.0
211.14819	6.5
213.12735	4.0
214.38815	3.3
221.64804	2.8
225.12778	6.4
227.14369	4.7
229.19485	3.6
231.13736	3.9
231.17465	5.7
239.17850	4.4
241.19455	16.1
253.19473	3.8
257.19064	16.6
259.20590	40.0
269.19061	5.5
271.20645	9.3
273.22131	8.8
275.20065	14.7
277.21725	4.5
283.20587	6.7
285.21890	3.2
287.20071	4.7
289.21506	4.0
301.18195	4.3
301.21625	31.2
311.20065	3.6
313.21649	8.4
319.22495	6.3
321.22192	3.6
325.21619	5.0
329.21143	23.4
329.24628	6.2
339.23047	6.1
343.22699	7.2
349.21719	7.6
357.24371	5.8
361.23837	3.3
367.22711	26.5
385.23795	31.3
403.24789	56.9
421.25626	63.0
422.26480	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	421.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06975	6.1
56.96557	10.6
69.03426	7.5
70.06559	7.8
71.57092	7.8
72.08147	15.5
84.08134	19.2
85.02898	12.6
97.02899	6.5
113.06004	7.3
116.98618	10.0
117.74799	5.6
119.01855	8.3
127.03864	8.5
138.93820	11.2
147.04410	9.8
158.50240	5.5
163.04205	6.4
169.05161	6.2
237.02928	6.8
275.00717	6.8
421.03757	100.0
421.14545	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	421.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.7
55.01868	13.9
55.05507	46.3
57.03424	20.2
57.07071	10.6
60.50715	5.2
61.02913	15.5
67.05175	8.4
67.05503	99.2
69.03423	17.7
69.07071	27.5
71.04993	10.9
71.08613	5.7
77.00431	6.0
79.05487	68.8
81.03405	24.9
81.07062	72.0
82.65061	5.3
83.04966	25.3
83.08596	26.8
85.02900	17.8
85.06541	13.7
91.03939	6.5
91.05479	76.4
93.07039	71.7
95.04964	77.2
95.08603	53.4
97.02885	15.6
97.06509	11.0
97.10126	12.5
99.04429	6.6
105.07015	63.4
105.85258	5.2
107.04952	24.0
107.08592	33.8
108.28877	5.8
109.06516	20.6
109.10154	46.0
111.04447	9.1
111.08055	10.9
115.05489	7.6
117.07045	27.5
119.04956	5.3
119.08584	44.3
121.06496	21.7
121.10109	28.6
123.08072	13.5
123.24498	5.7
125.09652	9.2
128.06171	11.1
129.07001	20.9
131.08539	32.8
133.10139	38.0
134.60135	6.1
135.08049	27.4
135.11681	11.5
136.06177	36.5
137.05934	7.1
141.06999	8.2
143.08569	19.7
145.06482	6.0
145.10120	25.9
147.08063	17.9
147.11684	15.9
149.02278	5.9
149.09647	15.0
149.13326	10.2
151.11105	6.5
152.62518	5.5
155.08542	12.5
157.10139	25.6
159.08047	8.6
159.11696	27.9
161.09554	11.6
161.13278	7.6
163.07648	5.9
163.11241	12.5
165.09198	6.1
167.08549	8.7
169.10071	10.2
171.11676	7.5
173.11803	8.3
175.11119	18.9
177.12773	11.5
179.14410	6.5
181.10049	5.7
183.11717	6.7
185.13242	8.1
189.11203	17.0
193.12251	9.1
203.10677	7.4
223.13298	7.0
249.14847	16.8
301.21637	10.0
305.24811	10.4
306.40259	6.3
311.20004	14.9
329.21136	92.6
329.24689	9.2
347.21973	13.0
347.25861	28.7
385.23538	12.9
403.24750	49.0
421.19839	100.0
421.25690	71.3
421.29816	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	420.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.4
55.01841	0.4
55.05515	3.2
56.05026	3.8
56.64534	0.4
57.07069	0.4
58.06606	0.7
59.04992	0.5
61.22301	0.4
65.03931	0.7
67.05171	0.7
67.05502	8.3
67.67109	0.4
68.05026	1.6
69.07071	3.0
70.01504	2.0
70.06590	61.6
71.06902	0.7
72.08164	0.6
79.05492	7.2
79.05914	0.8
81.03407	0.5
81.07049	7.7
81.40115	0.4
82.65588	0.4
83.08603	0.8
84.80960	0.4
86.06060	11.0
86.09698	0.5
87.26898	0.4
88.07636	0.8
90.48202	0.4
91.05476	3.9
93.07051	8.0
95.04977	1.1
95.08597	5.6
96.08130	3.0
98.06032	1.1
107.08585	3.9
109.06570	0.5
109.10161	1.9
114.05526	26.4
114.09163	30.1
115.09529	0.6
117.06981	0.9
119.08594	1.6
121.10133	2.7
121.91661	0.5
131.08568	1.1
133.10149	1.2
135.08052	0.6
135.11665	1.1
142.08629	64.7
143.08963	1.3
145.10196	0.8
149.13255	0.8
150.46313	0.4
159.11742	0.7
160.09685	100.0
161.10049	2.3
167.96091	0.5
184.07376	1.0
245.64761	0.4
319.26208	2.9
329.24930	0.5
374.30499	2.7
420.31073	61.7
421.31363	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	419.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01880	5.2
55.05486	2.1
56.05023	1.8
57.03421	1.1
60.04502	2.0
60.33109	0.6
61.02918	1.3
65.03931	1.8
66.49295	0.6
67.05483	2.6
69.03410	1.8
69.07048	1.9
70.02943	0.9
70.06573	1.6
70.17456	3.3
78.56438	0.7
79.05492	3.3
81.03410	2.2
81.07036	2.6
83.04963	1.8
84.04107	0.5
84.04498	5.6
84.08148	1.1
85.02912	4.0
86.06077	1.8
86.09676	0.9
86.40736	0.6
88.03991	8.9
89.02421	1.4
91.05491	4.8
91.48129	0.6
93.03407	0.6
93.07021	1.6
95.04955	3.1
95.08600	2.6
97.02885	1.6
97.06525	0.8
100.07603	0.8
102.05518	1.6
103.05451	2.4
105.07034	5.0
106.04150	0.6
106.06565	5.4
107.04920	2.8
107.07304	0.7
107.08568	1.4
109.02890	0.9
109.06505	0.7
109.10143	1.3
110.03682	0.9
110.89487	0.6
111.04413	1.0
112.03860	0.7
115.05424	1.9
117.05792	0.7
117.07025	2.2
118.06561	8.7
119.08548	2.2
119.37904	0.6
120.08126	1.5
121.06509	1.6
121.10143	1.0
123.04420	3.2
124.05194	1.1
125.05972	0.7
129.06970	1.0
130.05006	35.0
130.06532	1.5
131.04927	2.2
131.07292	5.9
131.08510	1.8
132.08102	4.6
133.06477	2.6
133.08971	1.0
133.10094	1.8
133.56383	0.7
134.09630	2.1
135.04381	1.1
135.11656	0.7
136.06181	0.8
137.02315	0.8
137.05946	2.0
141.07053	0.8
143.08530	1.6
144.08092	2.8
145.06485	1.2
145.10135	0.8
146.09651	8.4
147.04355	1.4
147.08099	1.0
147.11627	0.6
148.05164	0.7
149.02332	0.8
149.05949	1.9
151.03876	0.8
151.07541	1.3
153.05432	1.4
155.08527	0.9
157.06561	1.2
157.10060	1.1
158.09627	1.6
159.07988	1.9
159.10468	0.8
159.11707	0.9
160.11217	8.4
161.05956	2.7
161.11980	0.9
162.12743	0.8
163.03731	0.7
163.07544	0.9
167.07042	10.9
168.07382	1.8
169.07571	1.3
172.11192	4.1
173.05910	0.9
174.12778	1.5
177.05519	5.8
181.04974	11.0
181.08395	0.9
181.10139	0.8
182.05304	1.2
183.06595	1.4
183.11589	0.9
186.12740	1.1
187.07555	1.6
188.07054	2.4
191.07028	4.7
193.08636	1.5
202.08643	1.1
205.08630	1.1
209.08101	10.0
216.10181	3.3
219.08179	1.1
219.10139	1.8
229.27795	0.7
244.20593	9.5
247.09732	1.4
249.11241	1.9
264.07983	1.0
272.20087	85.3
273.09232	0.7
273.20499	3.9
279.10254	1.1
281.08185	0.7
287.05460	1.8
290.21146	100.0
291.21402	4.7
295.09442	0.7
314.21127	1.8
316.22705	16.7
329.06555	1.2
333.13300	4.2
342.20618	15.8
343.20938	0.8
360.21646	13.7
369.13361	1.0
375.14069	1.1
389.16040	0.9
401.11359	1.3
401.15939	1.8
401.24103	1.4
402.22977	1.4
419.12415	3.0
419.25363	39.7
420.25525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71038	0.6
55.01881	2.8
55.05493	1.2
56.05010	0.8
60.04528	2.8
61.02923	1.0
65.03912	1.4
67.05469	1.7
69.03403	0.8
69.07063	1.2
70.02923	1.0
70.17240	0.9
70.17623	1.1
79.05469	2.1
81.03406	1.1
81.07028	1.1
82.04185	0.7
83.04971	0.8
84.04520	3.5
84.08110	0.6
85.02863	1.4
86.06062	1.4
86.09690	1.1
88.03993	7.2
89.02369	2.1
91.05457	2.3
93.07022	1.4
95.04951	1.5
97.06522	0.6
102.05510	0.9
103.05445	0.8
105.07021	2.8
106.06568	5.8
106.07284	0.9
107.04931	1.2
107.08593	1.1
109.06490	0.7
117.05756	1.5
117.07024	1.2
118.06554	8.0
119.04942	0.5
119.08550	1.6
120.08102	1.0
120.50616	0.5
121.06490	1.0
121.10100	0.8
123.04395	1.9
125.06054	0.6
128.06216	0.7
129.05539	0.6
129.06973	1.5
130.05002	36.9
130.06529	1.6
131.04918	0.9
131.07327	6.2
131.08325	1.1
132.08058	3.6
133.06468	1.6
133.08829	0.8
133.10117	0.7
134.09636	2.0
137.05978	0.7
144.08092	4.8
145.06508	0.7
145.10109	1.1
146.09671	6.4
147.04387	1.0
147.08035	0.7
147.11618	0.7
149.05960	1.1
153.01819	1.0
158.09648	2.2
159.08049	1.2
160.11220	9.1
161.05954	2.1
161.11974	0.7
162.12758	0.7
167.07050	6.8
168.07423	1.3
172.11209	6.8
174.12769	2.0
177.05495	2.9
180.07684	0.6
181.04962	6.1
182.05389	0.7
183.06563	1.0
186.12753	1.3
187.07555	0.6
188.07104	3.4
191.07024	2.3
193.08594	1.2
200.14407	0.7
202.08611	1.6
202.15892	0.6
203.06906	0.8
205.08598	0.9
209.08116	4.5
216.10231	4.2
230.11853	0.9
240.95772	0.6
244.20641	8.8
249.11319	1.2
265.10843	0.7
272.20087	79.2
273.20493	2.9
287.05551	0.8
290.21149	100.0
291.21512	4.5
298.21814	1.1
307.09720	0.7
312.53183	0.5
314.21088	3.3
316.19022	1.3
316.22714	19.8
317.23004	1.5
331.01245	0.7
333.13223	2.0
342.20673	24.5
343.20886	1.0
360.21695	20.9
360.26147	1.2
361.21942	1.2
401.15649	0.8
401.24246	2.1
419.25366	32.4
420.25912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71038	0.6
55.01881	2.8
55.05493	1.2
56.05010	0.8
60.04528	2.8
61.02923	1.0
65.03912	1.4
67.05469	1.7
69.03403	0.8
69.07063	1.2
70.02923	1.0
70.17240	0.9
70.17623	1.1
79.05469	2.1
81.03406	1.1
81.07028	1.1
82.04185	0.7
83.04971	0.8
84.04520	3.5
84.08110	0.6
85.02863	1.4
86.06062	1.4
86.09690	1.1
88.03993	7.2
89.02369	2.1
91.05457	2.3
93.07022	1.4
95.04951	1.5
97.06522	0.6
102.05510	0.9
103.05445	0.8
105.07021	2.8
106.06568	5.8
106.07284	0.9
107.04931	1.2
107.08593	1.1
109.06490	0.7
117.05756	1.5
117.07024	1.2
118.06554	8.0
119.04942	0.5
119.08550	1.6
120.08102	1.0
120.50616	0.5
121.06490	1.0
121.10100	0.8
123.04395	1.9
125.06054	0.6
128.06216	0.7
129.05539	0.6
129.06973	1.5
130.05002	36.9
130.06529	1.6
131.04918	0.9
131.07327	6.2
131.08325	1.1
132.08058	3.6
133.06468	1.6
133.08829	0.8
133.10117	0.7
134.09636	2.0
137.05978	0.7
144.08092	4.8
145.06508	0.7
145.10109	1.1
146.09671	6.4
147.04387	1.0
147.08035	0.7
147.11618	0.7
149.05960	1.1
153.01819	1.0
158.09648	2.2
159.08049	1.2
160.11220	9.1
161.05954	2.1
161.11974	0.7
162.12758	0.7
167.07050	6.8
168.07423	1.3
172.11209	6.8
174.12769	2.0
177.05495	2.9
180.07684	0.6
181.04962	6.1
182.05389	0.7
183.06563	1.0
186.12753	1.3
187.07555	0.6
188.07104	3.4
191.07024	2.3
193.08594	1.2
200.14407	0.7
202.08611	1.6
202.15892	0.6
203.06906	0.8
205.08598	0.9
209.08116	4.5
216.10231	4.2
230.11853	0.9
240.95772	0.6
244.20641	8.8
249.11319	1.2
265.10843	0.7
272.20087	79.2
273.20493	2.9
287.05551	0.8
290.21149	100.0
291.21512	4.5
298.21814	1.1
307.09720	0.7
312.53183	0.5
314.21088	3.3
316.19022	1.3
316.22714	19.8
317.23004	1.5
331.01245	0.7
333.13223	2.0
342.20673	24.5
343.20886	1.0
360.21695	20.9
360.26147	1.2
361.21942	1.2
401.15649	0.8
401.24246	2.1
419.25366	32.4
420.25912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13048	9.5
51.56723	8.7
53.03926	13.5
55.01825	10.1
57.03438	15.0
57.07058	34.5
57.83621	8.4
61.02917	11.4
61.72497	8.5
67.05488	9.6
69.03428	38.0
70.01834	43.4
70.06590	73.7
71.04974	23.7
72.08154	35.4
73.02913	8.8
76.36832	9.2
79.05488	17.7
81.03412	33.6
81.07057	40.4
84.04495	29.6
84.08131	39.6
85.02907	40.0
85.06537	19.6
86.09696	35.2
87.00845	23.1
88.03999	15.4
88.88050	9.4
91.05476	27.0
93.07034	39.1
95.04360	9.8
95.08602	41.8
97.02882	19.7
97.06508	20.8
97.48471	8.1
98.21484	17.0
102.05544	11.8
103.05451	14.9
105.07037	29.5
107.08555	23.2
109.02874	29.3
109.06504	19.3
109.10159	13.5
110.48507	9.8
115.03944	12.7
119.08572	13.1
120.08109	50.0
121.06570	10.8
121.10175	15.8
123.04454	12.3
127.03924	30.4
129.10222	16.9
133.06488	11.9
135.11684	21.1
136.06215	26.9
136.07578	27.0
137.09671	10.4
137.13260	29.0
147.04395	21.6
149.09659	14.1
151.11150	11.3
153.12737	100.0
161.65475	10.8
162.06798	14.3
167.07051	19.5
171.13838	13.1
177.05487	20.2
197.05937	9.7
202.03212	13.6
223.07581	11.2
267.10562	15.0
280.06299	13.4
331.06360	14.6
375.15683	9.7
441.22086	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	419.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25978	1.4
55.01863	4.0
55.05495	4.9
56.05021	1.7
59.05007	2.7
65.03920	1.7
67.05495	3.2
69.03419	4.9
69.07066	4.1
69.40909	13.5
71.04991	20.8
72.08171	2.2
73.06544	5.6
79.05499	7.2
81.03442	2.8
81.07056	30.5
85.02910	8.6
87.00807	2.2
91.05472	4.4
92.55161	1.3
93.07042	20.7
95.04975	3.6
95.08588	4.5
97.02924	2.7
97.06539	4.6
98.09706	4.8
98.20744	2.3
103.05497	3.0
105.01854	4.1
105.07031	3.1
107.04974	2.1
107.08609	14.0
109.10156	2.9
117.07003	2.0
119.08559	1.5
120.02412	1.6
123.04456	4.1
127.03924	3.6
135.11697	25.1
137.02345	2.3
137.05960	2.0
145.02821	3.0
145.06496	1.8
147.04437	3.0
149.05994	3.3
153.01811	2.0
153.12743	100.0
154.13081	2.6
159.08095	1.6
162.70296	1.7
163.07506	1.8
167.07051	11.9
168.07407	4.9
169.07536	2.8
177.05501	8.9
181.04984	11.0
182.05328	2.1
183.05392	2.3
191.07036	3.5
209.08113	4.7
225.45206	1.5
276.02631	1.4
287.05530	13.2
345.41580	1.5
366.80789	1.6
387.23962	10.4
389.15295	2.0
408.26126	1.6
419.16541	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	419.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.6
55.01863	10.9
55.05511	7.6
56.09264	2.4
57.03425	6.3
57.07071	25.0
59.05011	13.3
61.02916	7.1
61.37772	2.3
66.99715	2.6
67.05492	18.9
68.99770	5.5
69.03426	45.9
69.07067	11.8
70.06570	4.0
71.04977	8.3
71.58735	4.7
72.08151	5.0
73.02911	8.2
79.05470	4.1
79.52065	2.4
81.03413	47.1
81.07045	12.9
83.04988	3.0
83.08611	2.8
85.02900	72.7
85.06533	10.9
86.09721	2.9
87.00816	30.9
91.05484	6.1
93.07052	6.7
95.04945	3.5
95.08602	79.5
97.02890	29.0
97.06528	7.4
99.04464	19.2
99.08103	16.6
105.01867	26.9
105.07016	4.0
107.04931	9.9
107.08572	9.5
109.02874	45.2
109.06520	11.5
109.10170	18.7
111.08068	11.3
111.11703	3.3
113.09642	54.0
115.03909	7.4
117.01838	6.9
121.10145	4.1
123.04480	4.2
123.11694	13.8
127.03918	67.1
127.11195	7.5
127.77734	2.8
129.01830	5.8
131.08551	2.6
135.11655	22.7
136.06252	4.0
137.13257	9.7
145.04956	24.3
145.06567	3.2
147.02844	3.0
151.11172	8.2
153.12738	100.0
155.14284	25.3
159.02902	24.9
167.07021	9.8
171.13815	12.4
181.04964	4.5
191.06926	3.4
213.14694	2.8
231.05002	12.2
287.05432	11.7
401.08075	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	419.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	41.0
65.03935	9.4
67.05476	3.6
69.03419	3.7
70.06583	3.9
70.98441	9.3
72.08151	3.2
79.05481	10.4
83.04959	3.4
85.02905	8.2
91.05483	10.1
95.04957	10.7
97.06503	3.9
103.05481	25.5
105.07034	17.3
107.04956	25.5
110.07262	2.9
111.04420	4.5
111.45303	2.8
113.89114	2.9
115.05435	6.9
118.04150	9.5
119.04910	5.4
121.06499	6.9
123.04417	13.5
124.05198	4.5
125.06034	6.4
129.06989	8.8
131.04922	24.3
131.08533	8.5
133.06511	16.7
137.05942	6.7
138.03140	5.5
140.04666	2.9
141.06995	6.6
142.02667	4.1
144.05675	12.7
145.06497	8.4
148.05162	12.7
149.05977	14.3
152.04651	4.4
153.05458	5.2
156.05647	3.2
159.04393	5.1
159.08051	16.6
160.05153	3.9
161.05948	21.1
163.07547	18.1
167.07036	92.4
168.07323	5.4
171.06503	10.9
171.07974	4.4
173.05920	11.6
175.07504	3.2
176.04652	3.2
177.05478	41.7
181.04944	100.0
183.06543	17.8
186.06735	3.6
187.07578	15.1
189.08983	3.3
191.07027	85.2
193.08611	12.4
204.07751	6.7
205.08612	12.5
207.10080	3.4
209.08073	68.4
217.08572	8.8
219.08040	9.9
219.10164	16.0
221.05983	4.6
221.08031	6.9
231.10201	4.4
235.07445	4.8
247.07462	8.9
247.09605	7.1
248.08168	4.8
249.09052	4.6
249.11247	44.8
263.06952	4.2
264.07794	6.3
265.08453	4.7
277.08466	6.3
279.10162	10.4
287.05463	27.0
291.10120	3.9
293.08038	5.3
304.07483	3.8
305.07990	5.3
307.09610	6.9
322.60294	3.0
323.08820	3.9
323.12650	5.0
330.10907	7.1
351.12085	3.5
369.13388	26.1
371.14810	4.4
389.15665	7.5
401.15845	27.8
415.80212	3.9
419.17191	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	419.0969
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.16117	1.8
55.27853	2.2
56.91041	2.0
57.03414	2.3
59.62157	1.7
69.03400	2.2
70.00454	10.8
73.02900	1.9
85.02910	2.7
98.20955	4.2
113.02911	1.7
121.02865	3.7
133.25067	1.9
147.04381	1.9
153.01909	3.3
159.10980	1.8
187.88289	1.8
193.11292	1.9
219.88513	1.7
278.73294	2.2
287.05490	100.0
288.05865	5.3
298.89667	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15055	0.6
51.85342	0.7
57.03434	6.0
57.08163	0.6
60.87432	0.6
61.02926	1.7
68.99765	0.8
69.36387	6.6
73.02924	11.9
111.00790	0.7
115.03907	1.2
121.02863	3.7
133.02832	1.1
137.02336	1.3
147.04408	0.8
153.01862	4.0
158.14536	0.7
161.06097	0.7
165.01872	1.8
183.02748	0.8
185.06061	0.8
208.39696	0.7
213.05525	1.7
241.05055	1.0
258.05188	1.7
287.05493	100.0
288.05838	2.5
299.05423	1.6
310.60837	0.9
329.06335	1.3
361.67142	0.8
383.07489	1.7
394.87134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	12.1
55.01869	14.9
57.03432	11.6
61.02909	10.6
65.03944	7.3
68.99778	12.7
69.03086	3.3
69.03429	39.9
70.06580	6.5
71.04986	8.3
71.08634	2.9
71.15175	7.1
72.08148	6.7
73.02901	14.0
74.06091	3.0
79.05487	6.5
81.03414	47.2
83.04968	4.1
84.04524	5.1
84.08108	6.2
85.02899	100.0
86.09696	6.8
87.00824	40.3
91.03933	3.2
91.05490	6.6
95.04978	3.2
97.02896	42.8
99.04440	23.6
103.03948	6.8
105.01850	27.0
105.07087	2.6
107.04967	29.7
109.02884	43.7
111.04436	25.0
117.01894	2.9
119.04922	5.2
121.04006	3.3
123.04411	3.5
125.06007	5.1
127.03918	59.0
129.01830	8.4
135.04424	8.7
139.03897	51.2
145.04955	22.1
147.02902	5.0
147.04407	15.7
149.02351	4.7
153.05511	3.8
159.02892	22.1
159.04044	3.6
163.03906	34.9
171.06517	53.4
177.05493	10.0
181.04961	12.9
186.37282	3.2
189.03900	6.9
195.06531	39.3
205.04901	5.6
206.42471	2.9
207.06512	9.0
213.07613	19.2
222.05225	7.8
231.05013	8.1
233.08148	7.7
237.07550	18.8
261.07544	14.7
279.08591	21.2
419.24869	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	419.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93670	0.5
57.03413	0.6
60.24513	0.5
61.02907	1.7
67.18502	0.6
68.99790	0.9
69.27930	4.1
69.28351	2.3
73.02509	0.7
73.02916	12.6
78.71409	0.6
109.53468	0.6
121.02848	2.2
137.02324	1.2
147.04413	0.7
153.01833	4.7
165.01834	2.5
170.37259	0.5
181.83272	0.5
183.03017	0.6
194.37863	0.6
209.08061	0.6
213.05405	1.6
231.06491	0.7
241.04935	0.9
258.05234	1.4
259.05988	0.8
287.05502	100.0
288.05841	3.6
382.40598	0.6
382.63330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83858	0.8
54.45605	1.0
57.03441	5.3
61.02917	2.0
68.05180	1.0
70.05639	2.1
70.06041	2.6
73.02908	12.7
87.97504	0.9
94.38372	0.9
111.00790	0.9
112.11325	0.9
121.02861	3.7
144.60727	1.1
145.06451	1.2
153.01862	4.8
153.30783	1.2
165.01828	2.3
167.07153	1.1
181.04881	1.3
183.02861	1.1
197.36395	0.9
205.42114	1.0
213.05496	2.1
223.70009	1.0
241.04945	1.2
258.05374	1.7
287.05487	100.0
288.05933	2.9
311.16757	1.0
350.20187	1.0
354.72638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0971
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01859	1.1
68.99766	0.4
69.03423	0.6
69.07047	0.3
69.60480	2.0
69.60901	0.9
70.06582	0.9
72.08141	0.5
79.05501	0.5
79.22732	0.4
81.07006	0.4
81.41302	0.4
84.08105	0.6
85.02872	0.8
91.05482	0.9
95.04936	0.5
98.21236	1.3
104.04372	0.4
107.08610	0.4
109.02899	0.6
117.06988	0.5
121.02854	0.7
123.04407	0.5
127.03900	0.5
129.07001	0.7
133.06459	0.4
136.06149	0.4
137.02347	3.5
145.10023	0.4
147.04355	0.8
149.02364	0.6
149.05984	0.5
153.12712	0.4
157.06471	0.9
159.08032	0.5
161.05963	0.5
165.01852	0.4
167.07066	1.5
173.14194	0.4
177.05467	0.8
181.04964	0.6
185.05946	1.2
189.05449	0.6
191.06970	0.5
209.08040	0.8
213.05388	2.4
231.06503	0.6
241.04871	0.9
249.11150	0.5
255.11232	0.9
257.12656	0.4
283.11160	0.5
287.05487	100.0
288.05887	2.5
290.59473	0.4
401.15512	0.4
419.09622	0.7
419.23019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01862	2.2
55.62129	0.7
56.05040	0.8
67.05476	1.3
69.03416	1.0
69.71231	4.4
70.06589	21.7
70.46565	0.6
72.08157	1.7
79.05472	0.8
81.03397	1.3
81.07050	1.3
84.08136	2.1
85.02899	1.0
86.09705	1.6
91.05467	2.6
93.07072	1.5
95.04974	3.2
97.02917	0.7
105.03391	0.9
105.07021	1.3
107.04950	1.1
109.02886	1.3
111.04441	1.0
116.07088	30.4
119.04924	5.4
119.08585	0.7
120.08096	0.7
121.02862	0.7
123.04426	33.9
127.03909	1.6
127.04911	0.7
129.10239	0.7
135.04390	3.2
137.05937	0.7
139.03903	13.2
147.04407	19.4
147.08032	0.9
148.04781	0.6
151.03899	86.6
152.04254	1.5
153.05461	2.4
161.05963	3.9
163.03874	5.5
165.05470	7.7
173.05942	3.9
175.03906	1.2
177.05434	1.3
179.06996	1.1
181.04881	5.9
189.05418	1.5
193.04977	4.9
194.67545	0.6
207.06535	2.8
215.06946	1.5
217.08655	1.7
235.07413	0.8
254.17509	0.8
257.15146	1.2
266.10019	1.0
267.16116	1.0
285.07645	3.3
303.08615	100.0
304.09030	3.2
317.62845	0.6
324.87326	0.6
328.20999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01867	1.7
55.05510	1.2
56.05011	1.2
57.11401	0.6
61.85526	0.7
67.05484	2.6
70.06592	28.8
72.08144	3.8
79.05494	1.8
81.03403	3.2
81.07048	1.1
83.04987	1.0
84.04536	1.8
84.08151	4.9
85.02896	2.1
86.09700	4.3
91.05475	3.2
93.07069	0.7
94.08197	0.8
95.04940	4.0
97.02869	1.8
98.21672	0.7
105.03415	1.3
105.07066	0.7
107.04966	1.6
109.02888	1.3
109.61276	0.7
110.07138	1.3
111.04444	1.4
116.02679	0.7
116.07093	33.0
117.07443	0.8
119.04938	5.8
120.08073	1.3
121.02838	1.6
123.04426	38.9
127.03896	2.2
129.10228	2.5
131.08583	0.7
134.04608	0.9
135.04457	3.5
137.02348	1.4
137.05989	1.7
139.03900	13.5
143.04906	0.7
143.11864	0.9
147.04408	21.1
151.03905	90.7
153.05453	2.2
159.51842	0.8
161.05984	4.6
163.03888	4.3
165.05475	8.7
167.07057	0.7
169.06500	1.0
173.05943	4.1
174.48900	1.0
175.03903	1.3
175.07603	0.8
177.05498	1.6
179.06969	1.9
181.04979	6.2
182.05309	0.9
189.05476	1.1
193.04924	4.0
193.12291	1.4
196.69048	0.8
197.05954	1.1
207.06540	3.2
209.80676	0.7
211.07558	0.9
215.07016	0.9
217.08615	1.4
225.05394	0.9
266.10226	1.7
267.06381	1.2
285.07574	2.7
303.08633	100.0
304.09015	2.0
367.02356	0.7
418.15213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01864	1.9
55.05511	0.9
56.05032	0.9
56.96551	1.8
57.03424	2.2
58.06611	0.9
61.02921	2.2
65.03947	1.9
67.05515	4.0
68.05031	1.2
69.03426	7.7
70.06590	7.0
71.04984	1.5
71.56889	1.0
72.08141	3.5
73.02915	2.0
73.20565	0.8
74.06062	1.1
79.05505	4.8
80.05000	0.8
81.03423	6.1
81.07040	2.3
82.06573	1.6
83.06107	1.0
84.04497	2.6
84.08134	7.5
84.96078	0.9
85.02906	9.3
86.09694	6.4
87.00856	1.7
87.04450	0.8
88.03999	1.2
91.05476	1.5
92.05006	3.5
93.05791	1.4
93.07085	1.0
95.04988	1.9
95.06077	1.4
96.04464	0.9
96.08121	3.2
97.02894	6.1
99.04472	1.4
101.07124	1.1
106.06551	26.1
108.08116	100.0
109.02886	5.0
109.08450	1.4
110.06038	1.4
110.07146	2.7
112.05105	1.9
116.07066	0.9
116.98624	1.0
123.04386	1.0
123.06812	7.3
124.07593	26.0
126.05467	0.9
127.03949	5.7
127.04885	1.2
128.07097	1.4
129.10223	3.5
134.06021	15.6
136.07570	19.4
145.04988	2.2
148.07558	1.6
152.07063	84.6
153.07455	1.5
154.08665	1.0
156.22678	0.8
166.04924	1.2
170.08128	28.5
175.12009	1.0
187.06021	2.3
194.08131	0.9
257.14877	0.9
314.12317	2.0
332.13345	6.2
338.12250	2.4
354.17001	1.0
356.13312	9.5
374.14465	12.7
382.11139	1.8
400.12463	12.0
418.13422	41.0
418.18164	2.0
419.14273	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75805	5.6
55.05499	20.6
57.03431	11.0
57.07060	10.5
66.64644	4.9
67.05181	5.4
67.05505	71.7
69.07063	27.7
71.04998	9.2
71.58244	9.0
79.05499	34.4
81.07053	93.0
83.08606	7.1
85.06554	6.8
91.05473	49.3
93.07054	60.6
95.04978	9.8
95.08604	93.0
98.98477	58.5
103.05466	6.1
105.07034	87.6
107.04901	7.1
107.08593	66.0
109.06514	77.4
109.10162	51.5
111.08104	12.5
117.06260	6.4
117.07018	24.2
119.08569	80.1
121.06496	7.3
121.10143	80.7
123.08092	19.2
123.11716	31.4
128.06215	9.1
129.07005	20.1
130.07765	7.7
131.08574	49.8
133.10121	94.3
135.08020	17.7
135.11684	37.8
137.05923	7.9
141.07025	15.3
142.06738	5.2
142.07722	25.6
143.08540	46.7
144.09296	6.0
145.06502	9.0
145.10121	43.9
147.08035	19.4
147.11717	26.8
149.09587	10.9
149.13255	7.4
153.06949	9.2
154.07756	8.7
155.01059	70.4
155.08548	20.4
156.09375	13.3
156.94577	5.8
157.10126	57.0
158.10846	6.0
159.08054	14.9
159.11696	23.2
161.09601	20.9
161.13295	9.0
165.06946	12.6
166.07864	6.3
167.07091	10.9
167.08545	11.3
168.09239	6.0
169.10109	29.9
170.10895	7.9
171.11674	27.0
173.09570	12.7
173.13286	32.8
175.11127	12.7
175.14862	16.8
179.08549	9.8
180.09297	6.0
181.10124	17.2
183.11716	28.4
185.09615	12.7
185.13261	21.9
187.11205	15.1
187.13232	7.4
187.14825	25.6
193.10168	12.5
194.10944	6.3
195.11694	39.5
197.09634	9.9
197.13287	21.3
199.11165	13.0
199.14732	13.5
201.12805	10.9
201.16426	5.7
203.08722	7.3
203.10698	8.6
205.10138	10.3
206.10840	10.3
207.11678	20.3
209.13232	26.3
211.11159	15.7
211.14809	18.6
213.12747	10.9
213.16460	10.6
217.10139	5.6
219.11670	10.7
221.13217	18.6
222.14120	9.2
223.14857	14.1
225.12895	5.8
225.16402	7.4
227.14311	6.2
229.09998	7.7
232.12401	7.3
233.13181	13.7
234.14195	7.1
235.14833	19.2
237.12785	10.0
237.16368	10.5
239.14337	7.7
245.13239	7.7
245.22656	12.6
247.14809	11.8
249.16518	7.6
251.14435	9.4
251.17966	8.4
259.14798	12.3
261.16391	8.8
263.23721	35.6
277.16135	7.9
279.17490	11.6
281.18924	9.4
285.16357	8.0
289.44678	5.6
295.16864	7.6
299.17844	6.5
301.19519	11.3
305.19119	6.0
308.30557	6.4
317.18900	6.4
317.22498	9.3
319.20499	6.3
341.22592	7.3
357.25549	11.9
359.23584	22.2
369.36197	5.9
375.26849	13.8
399.26697	36.3
417.27805	100.0
417.36734	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	417.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01855	0.6
57.03431	0.8
62.83357	0.4
65.03929	1.5
67.05482	0.8
69.03414	0.7
69.99510	0.5
70.06591	0.6
71.28114	0.5
71.28444	0.5
72.08149	1.0
75.04473	0.5
78.04710	3.0
79.05489	2.5
81.03407	1.2
81.07034	0.9
85.02902	2.7
86.09682	1.1
91.04952	0.4
91.05469	2.5
93.07048	5.2
95.01318	0.6
95.04960	1.9
97.02879	0.7
97.06510	0.6
98.21224	0.5
103.05479	1.1
105.07020	2.3
106.04188	1.2
107.04938	2.4
109.02827	0.5
111.04401	0.5
115.05467	3.1
117.07014	5.4
119.08585	0.7
121.02857	0.9
121.10144	9.8
123.04436	8.2
123.08072	0.7
124.05213	2.6
127.54971	0.4
131.04932	0.7
131.08574	0.5
134.03612	0.6
135.04431	0.5
137.05978	6.2
138.03069	0.6
138.06248	2.7
141.01822	0.8
143.04933	0.7
145.06483	9.4
146.06793	0.5
147.04393	0.7
149.09618	7.5
151.03903	1.5
152.04663	3.0
155.05998	3.0
159.88608	0.4
161.05711	0.6
163.03929	0.6
165.01869	0.8
167.07036	100.0
167.10704	1.7
168.07382	2.2
171.06531	1.3
173.05978	14.9
175.07608	0.8
176.07930	0.6
177.01952	0.9
181.04961	19.9
183.02844	0.5
187.07581	0.7
191.03407	1.5
205.08551	4.0
206.08940	0.9
219.02902	1.8
231.02864	0.6
233.08078	8.1
235.07451	0.7
235.09647	4.2
241.14420	0.6
261.03873	0.8
266.10239	1.3
285.07495	0.8
297.07526	0.5
339.08508	1.4
387.14395	12.0
388.14639	0.8
417.15436	21.7
418.15497	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
54.04257	1.3
55.01888	1.7
55.05497	1.4
57.03426	3.1
63.32584	1.3
65.03938	3.2
69.03433	1.7
70.06590	2.8
71.57629	2.0
72.08133	2.3
73.02901	2.0
78.04704	2.9
79.05500	8.1
81.03357	1.6
81.07064	2.8
83.04980	1.5
85.02894	6.5
86.09688	7.4
91.05472	7.0
93.07048	24.6
95.01331	2.2
95.04958	4.9
95.08573	2.2
97.06585	1.7
103.05473	3.0
105.07025	8.2
106.04150	1.5
107.04976	5.2
109.02881	1.7
109.06548	2.4
111.04395	1.6
115.05440	1.9
115.32552	1.6
117.07011	4.2
119.08604	2.8
121.06535	1.5
121.10139	50.9
123.04451	7.9
123.08057	2.8
124.05194	4.2
131.08542	3.8
137.02403	1.5
137.05984	1.9
141.01855	3.4
142.02615	1.8
143.11794	1.7
145.06485	11.1
149.09610	30.0
151.03914	2.7
152.04681	3.0
155.05997	2.3
167.07036	100.0
167.10681	6.8
168.07396	2.2
169.04936	8.0
173.05980	14.6
175.07542	1.5
181.04974	22.8
201.05368	1.4
205.08563	2.7
233.08159	8.5
235.09753	2.8
387.14459	11.2
417.15451	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	417.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01870	1.2
55.05516	0.9
57.03411	1.0
60.76461	0.7
65.03925	1.4
67.05495	1.1
67.26083	0.6
69.07050	0.9
70.06577	3.2
71.01312	0.7
72.08155	12.1
75.04471	1.2
77.03944	0.9
78.04697	3.4
79.05501	5.1
81.03378	0.7
81.07054	1.7
84.08146	2.0
85.02891	2.8
86.09297	0.8
86.09711	9.5
90.04456	0.7
91.05485	3.2
93.03403	0.8
93.07040	13.0
93.58185	0.7
95.01299	0.9
95.04951	2.2
97.06506	0.9
97.74919	0.6
103.05448	1.8
105.07060	6.1
106.04166	2.0
107.04955	1.8
107.08591	1.3
109.02870	1.1
109.06460	1.1
110.03648	1.1
111.04446	0.6
115.05443	3.8
117.07028	6.6
119.08572	2.3
120.08133	0.9
121.02861	1.1
121.06482	1.6
121.10136	23.2
123.04438	9.3
123.08064	1.9
123.57456	0.6
124.05217	3.6
127.05093	0.8
129.10193	0.7
131.04941	0.8
131.08562	2.2
133.07568	0.8
137.05983	1.9
138.06329	1.2
141.01811	1.6
143.77327	0.8
145.02794	1.3
145.06483	9.8
146.11761	3.6
147.04390	1.2
149.09618	15.6
151.03896	2.0
152.04655	1.9
155.06039	2.6
157.09714	1.0
159.11252	0.9
167.07039	100.0
167.10713	2.5
168.07390	1.8
171.06520	1.9
173.05986	13.9
175.07484	1.1
181.04955	20.7
191.03439	1.5
201.05266	0.8
201.12384	2.4
205.08643	3.9
219.02942	1.4
224.41609	0.7
233.08090	8.8
235.09634	3.2
255.06508	20.1
261.03970	1.1
261.14401	1.2
272.12424	1.8
285.07452	0.8
339.08896	0.9
387.14371	12.3
392.07208	0.7
395.76242	0.7
417.15500	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	417.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.05495	4.0
57.03416	4.7
60.05748	3.7
69.03425	8.6
69.07047	3.6
70.00460	8.2
70.00878	15.1
70.06590	34.3
72.08146	8.1
79.05499	13.1
81.03432	3.9
81.07057	6.2
82.06591	3.2
82.08770	3.5
84.04516	3.6
84.08149	10.0
85.02900	15.6
86.09705	22.7
91.05476	15.5
91.15195	3.3
93.06486	3.9
93.07053	47.8
95.04968	8.9
105.07024	21.1
107.08598	4.0
110.07189	5.8
111.08070	4.1
113.02357	4.0
117.07065	4.7
119.08591	9.8
121.02854	10.3
121.06506	6.3
121.10139	100.0
123.04465	7.4
123.08069	4.2
129.10274	5.4
131.08578	4.3
133.10092	4.5
137.05972	8.2
139.11201	4.6
141.01831	9.5
147.04433	7.4
149.09639	60.6
167.07004	28.6
167.10663	14.7
180.39456	3.8
181.05011	10.6
265.58698	4.0
338.11371	3.8
357.64001	3.6
409.67935	3.5
417.15857	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	417.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01886	1.9
56.05044	1.7
57.03421	2.2
63.27271	1.2
65.03940	3.2
65.69438	1.3
67.05518	1.6
69.03419	4.8
69.71922	9.2
70.06586	6.9
71.04969	1.3
72.08139	3.0
76.02238	2.3
78.04700	2.6
79.05495	9.2
81.03412	1.5
81.07043	3.6
84.04494	2.6
84.08131	3.1
85.02893	6.1
86.09713	9.6
91.05484	6.8
93.03419	1.5
93.07043	18.2
95.04956	5.4
95.08601	2.2
97.02899	3.2
97.06539	2.5
103.05459	4.2
105.07040	8.0
107.04932	8.8
107.08594	1.9
109.02854	1.3
110.03595	2.5
111.04455	2.5
115.05467	5.1
117.07040	6.6
119.08553	3.2
120.08121	2.4
121.06502	2.8
121.10144	32.8
123.04437	9.6
123.08038	1.7
124.05224	4.1
125.05990	2.9
127.03864	1.9
131.04912	3.3
131.08591	2.7
133.10164	2.0
135.04301	1.5
139.11194	2.1
141.01842	2.9
145.06508	9.4
147.04362	1.5
149.09615	21.7
150.09106	2.9
152.04614	2.6
153.05350	1.6
155.06096	1.5
161.06003	1.5
167.07042	100.0
167.10703	3.8
168.07385	2.9
171.06433	3.1
173.05972	14.9
179.05069	1.4
181.04953	40.5
191.07040	5.1
205.08687	3.3
217.08685	1.9
233.06027	2.1
233.08032	10.1
235.09685	3.4
271.80527	1.4
315.05161	2.1
369.05795	1.6
369.13730	1.4
385.14301	1.4
387.14325	11.0
399.14777	1.5
417.15469	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	417.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05495	1.0
57.03421	1.2
60.05040	0.7
65.03926	1.8
67.05482	1.6
70.06582	1.9
71.04681	1.3
78.04697	2.4
79.05479	4.7
81.03405	1.8
81.07037	1.3
85.02896	2.4
86.09686	2.0
91.05489	4.7
93.07043	9.6
95.01283	1.2
95.04954	2.1
97.06577	0.9
103.05462	2.2
105.07038	5.5
106.04163	2.2
107.04948	2.0
109.02844	1.0
109.06535	0.9
110.03644	0.9
115.05436	3.7
117.07011	5.7
118.09971	0.7
119.08584	1.9
120.08111	0.7
120.65295	0.6
121.06506	1.1
121.10141	24.8
123.04436	8.6
123.08059	1.0
124.05225	3.4
131.04930	1.0
131.08585	1.4
141.01801	1.6
145.06467	10.4
149.09630	11.6
151.03886	1.3
152.04713	2.3
155.06009	2.4
155.07108	0.9
167.07033	100.0
167.10678	2.3
168.07341	1.4
173.05977	14.8
174.06415	0.7
181.04951	20.5
182.15392	1.4
201.05461	1.0
205.08569	4.0
210.14911	1.1
233.08086	7.8
235.09592	3.3
241.14232	0.8
387.14377	12.7
399.25070	0.9
417.10034	1.3
417.15439	19.7
417.20682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.29108	0.4
55.01855	0.7
55.28522	0.4
57.03431	0.5
65.03941	2.4
67.05482	1.2
69.03410	0.6
78.04717	3.9
79.05499	3.1
81.03402	0.9
81.07044	1.0
82.04185	1.0
85.02919	2.1
91.05468	1.9
93.03372	0.7
95.04986	2.2
97.06521	1.4
103.05470	5.2
105.03379	0.9
105.07034	1.2
106.04163	2.2
107.04952	5.0
108.02089	0.8
109.06487	0.7
110.03627	1.5
111.04435	0.9
115.05444	3.5
116.03946	0.5
117.06337	0.5
117.07031	5.5
118.04128	1.2
119.04853	0.6
120.05683	0.5
121.06490	0.6
122.03650	1.0
123.04425	9.0
124.05241	2.6
125.05995	1.3
127.05433	0.9
129.06956	0.5
131.04926	3.6
132.03867	0.4
133.02818	0.6
133.06497	0.5
135.04507	0.6
137.02286	0.5
137.05966	0.7
138.03090	1.0
140.04800	0.4
140.36360	0.6
142.02617	1.0
143.04895	0.8
145.06485	9.6
147.04399	0.7
148.05203	2.6
149.05980	0.7
151.03920	2.3
151.07494	0.5
152.04680	2.8
153.05426	0.7
155.04947	0.6
155.06015	3.3
157.06334	0.5
161.05977	1.3
163.07573	4.8
165.05414	0.6
167.07039	100.0
167.89281	0.5
168.07397	2.0
171.06529	3.7
173.05980	13.9
175.07542	0.8
177.05533	0.8
179.06982	0.6
181.04951	40.3
182.05283	0.9
187.07495	0.6
189.05450	0.9
191.07031	12.0
191.08803	0.7
195.06570	0.8
201.05440	1.0
202.06520	0.5
203.07143	0.6
205.08635	2.8
207.06531	0.9
209.08197	0.5
217.08607	0.8
219.10205	0.9
233.08076	8.5
235.09644	4.3
290.45450	0.5
325.10660	0.7
355.07983	0.6
381.13138	1.0
385.12967	0.6
387.14383	11.9
388.14444	0.8
399.14389	1.0
417.10107	1.0
417.15485	19.7
417.21017	1.0
418.15656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.0
61.62845	0.9
61.86173	0.9
67.05505	2.1
69.07056	1.3
70.06585	5.6
71.05022	1.0
72.08140	1.3
75.97554	0.8
79.05502	2.8
81.03400	1.0
81.07060	2.1
84.08134	2.5
85.02911	2.4
86.09708	2.4
91.05485	4.0
92.94913	0.8
93.07043	3.3
94.04185	2.2
95.04965	2.7
95.08585	1.3
103.05452	1.5
105.07039	2.7
107.04953	3.6
109.06548	1.3
112.11241	1.2
115.05481	2.3
116.07061	3.3
117.07001	2.7
119.04950	2.2
119.08535	1.1
121.10135	1.5
122.03634	5.7
122.09689	1.4
123.04449	3.0
125.05969	1.3
130.04182	2.5
131.04929	1.9
131.08498	1.1
137.05969	66.9
138.06343	1.2
145.06471	4.3
146.03624	1.0
147.04382	4.6
149.05908	1.3
150.09158	9.6
151.03899	3.3
153.01894	1.7
158.03662	2.6
161.05954	5.1
162.06769	3.6
163.07520	1.3
167.07039	22.0
171.04564	1.0
171.06520	1.6
173.05951	8.1
175.03925	1.6
175.07506	1.2
177.06998	1.5
178.07748	3.0
181.04970	13.6
182.05333	1.0
186.03156	3.0
187.07637	1.1
189.07002	5.2
191.07085	2.2
201.05463	56.5
202.05859	1.5
202.07773	1.5
203.60457	1.0
205.06543	6.4
205.08278	1.4
206.07257	8.1
207.08076	1.2
213.05441	4.0
217.06520	4.4
218.07314	3.3
219.08080	2.3
220.05104	1.1
221.05977	1.9
221.09634	1.8
222.06801	4.6
223.07594	2.2
231.06387	4.8
233.05968	7.4
233.08060	2.2
234.06750	23.2
234.08936	1.6
235.07483	5.0
235.09575	1.2
236.08154	1.1
237.09128	5.4
245.06007	7.1
246.06671	1.8
247.07602	2.8
249.05449	2.0
249.09073	8.0
250.06273	3.4
251.07091	3.5
259.07553	2.2
261.05518	4.2
262.06223	20.2
263.07010	4.5
264.07788	2.4
265.08615	11.4
266.09219	2.4
273.05502	6.1
274.06281	2.6
276.07681	2.7
277.08572	23.1
278.05719	3.2
278.09219	2.6
279.06555	4.3
280.07065	1.7
281.07880	0.9
282.08588	1.4
287.06995	2.8
289.04965	2.7
290.05756	31.0
291.06491	1.7
291.10065	1.5
292.07367	5.5
293.08179	7.5
294.08942	4.7
295.09628	1.9
297.11063	1.9
304.07303	1.8
305.08078	52.5
306.08542	3.0
307.06036	2.6
307.09665	10.4
309.11200	5.0
319.09662	6.0
322.08289	4.1
325.10681	34.7
337.10681	100.0
338.11099	3.2
355.11737	12.2
372.07895	3.1
380.20853	1.4
386.16003	2.1
398.21558	3.0
416.17032	1.3
416.22949	2.1
416.38275	1.6
417.15497	3.9
427.00775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06559	0.3
52.50811	0.3
54.46039	0.3
55.01861	0.4
55.06157	0.3
56.96558	0.9
57.03424	0.4
65.03880	0.4
67.05510	1.8
68.41633	0.3
70.06590	3.0
71.26732	0.8
72.08135	0.8
73.02919	0.4
76.66209	0.3
77.58870	0.4
81.03441	0.4
83.06100	0.3
84.04507	1.0
84.08152	1.9
85.02902	0.7
86.09694	1.1
88.03998	0.4
89.09840	0.3
91.05460	0.3
94.06565	6.1
95.06070	0.5
96.04393	0.4
97.02910	0.4
98.97594	0.8
102.05521	0.4
106.06560	2.2
110.07182	0.5
111.32696	0.3
116.07109	0.4
119.04952	0.5
122.06022	5.3
127.03855	0.4
129.10245	0.4
134.99719	0.5
147.04395	0.4
150.05505	100.0
151.05850	1.6
152.05635	0.6
168.06564	35.6
207.06572	1.1
260.04437	0.3
291.55988	0.4
336.19223	0.3
416.26169	0.8
443.06732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69441	1.8
53.03946	4.4
55.01872	3.7
55.05505	3.3
57.03436	16.5
65.03919	2.5
67.05501	5.9
69.03434	8.4
69.57071	12.5
70.06586	28.4
71.01352	13.8
72.08147	7.5
73.02913	14.7
75.04476	3.9
79.05485	7.1
81.03416	5.0
81.07050	6.2
84.04506	5.9
84.08123	8.7
85.02898	35.3
86.09697	20.9
91.04907	2.6
91.05473	46.5
93.05499	2.2
93.07043	30.7
95.01338	6.5
95.04967	5.5
95.08604	9.6
97.02869	9.6
99.00819	5.1
101.02380	4.0
102.05538	3.7
103.03950	2.7
103.05478	3.3
105.07036	6.8
107.08584	4.5
109.02854	8.5
109.06543	2.7
109.10136	6.2
110.07137	2.9
113.02376	8.3
115.05448	2.0
116.07095	20.3
117.05521	3.1
117.07018	10.0
119.04945	13.6
119.08576	100.0
120.08963	1.9
121.06491	4.1
121.10152	6.2
123.04420	5.7
123.08060	2.7
124.05221	7.5
127.03925	2.9
128.06248	2.1
129.07013	4.7
129.10199	3.2
131.03415	6.1
131.08513	2.3
133.02876	2.4
133.10155	2.5
135.08002	4.4
136.06151	2.7
137.02280	2.0
137.05930	11.8
137.09622	7.2
141.01814	16.8
147.04424	11.5
147.08044	63.9
149.06023	2.2
149.09622	5.7
151.03952	3.6
152.08278	3.9
159.02888	3.2
159.07886	3.6
161.09644	3.2
165.09103	38.3
167.07089	2.4
179.07074	8.4
180.07825	6.4
181.04991	2.3
187.07295	2.8
201.12444	2.1
215.05553	3.1
221.11685	7.1
223.13307	6.1
229.15363	3.0
233.06801	2.1
235.17177	2.0
239.12819	7.1
277.10632	2.2
338.25482	1.6
344.97415	2.4
397.14661	4.4
415.15848	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	414.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01871	1.9
55.05503	4.5
55.72614	1.3
57.07072	3.3
67.05515	8.1
68.05024	4.3
69.03442	6.5
69.07058	5.7
70.06204	3.1
70.06592	60.7
70.29077	2.3
70.29449	2.7
71.04976	3.7
72.75718	1.3
72.98704	1.1
79.05498	9.5
81.03408	2.5
81.07065	10.4
82.06585	1.5
83.04979	4.1
83.08609	2.5
84.08143	3.7
85.02910	2.5
85.06547	2.8
86.09672	2.7
87.04491	2.1
91.05482	17.0
93.07040	16.3
94.06569	3.5
95.04960	5.4
95.08621	6.6
96.08115	7.3
97.02888	3.1
97.06538	5.0
98.06037	3.5
100.07609	15.6
103.05444	2.1
105.07027	26.1
105.45908	1.2
107.04926	2.7
107.08604	13.3
108.08118	4.6
109.06533	10.5
109.10171	5.7
114.05530	9.4
115.05469	3.1
116.06299	2.0
116.07106	5.8
117.07014	5.5
119.05010	1.7
119.08579	28.6
120.08137	9.3
121.06538	2.5
121.10144	9.0
122.09623	6.1
123.04408	1.6
123.08060	4.8
125.06004	2.3
125.09636	2.5
128.06223	3.8
128.07080	23.9
129.06993	7.9
130.07813	3.1
131.04965	2.0
131.08574	16.7
133.10118	10.7
134.09647	4.6
135.08032	2.5
135.11679	3.9
136.11188	7.6
137.05963	3.7
137.09593	3.2
141.07013	2.1
142.07764	7.8
143.08562	14.0
144.09286	3.3
145.06491	1.6
145.10130	24.1
145.46721	1.2
146.09673	3.5
147.04449	2.4
147.08064	3.0
147.10588	2.0
147.11682	8.3
148.11205	7.9
149.09628	1.7
151.06337	1.9
151.07510	1.5
153.01851	3.6
154.08653	3.2
155.08556	3.9
156.09239	6.4
157.10115	16.3
158.09621	1.3
159.08070	2.8
159.11705	6.0
160.11234	3.6
161.05977	1.7
161.09512	1.6
162.12762	5.2
163.11160	3.6
164.07094	2.5
165.09122	6.1
166.08661	2.9
166.63049	1.3
167.07074	3.1
167.08478	2.3
168.10211	48.2
169.10127	4.8
171.11716	10.1
173.09642	2.2
173.13281	5.2
175.11217	7.0
177.05461	2.9
178.08661	8.7
179.03426	1.4
181.04951	3.0
181.10057	2.9
181.12244	1.6
182.10817	1.9
183.11732	7.6
185.13310	5.2
187.14917	1.8
190.15865	2.3
192.10240	2.7
194.11884	8.9
195.11700	4.4
197.13281	7.4
199.11284	1.6
199.14806	4.4
203.14352	3.6
207.06537	1.4
207.11998	1.8
208.12497	2.0
209.13301	5.9
211.14914	2.4
215.14330	4.5
217.05014	1.3
219.10091	2.0
221.15364	23.5
223.14912	4.5
225.12703	1.4
225.16469	2.3
226.15776	1.5
227.14415	1.3
232.19611	1.7
234.14885	5.8
246.15048	1.7
258.14932	1.8
265.19516	3.4
268.20358	1.4
281.18988	1.6
284.16495	1.5
299.20016	2.3
301.21576	1.5
303.05081	1.7
312.19763	1.6
313.10397	1.5
352.26468	2.2
356.22147	4.5
370.27341	10.0
371.07556	7.9
396.25189	7.5
414.26392	100.0
415.10153	6.9
415.26779	3.8
427.26984	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03926	1.1
55.01876	1.3
55.05515	6.1
56.05013	1.0
56.94627	0.9
57.03433	1.6
57.07068	2.6
60.04543	1.0
65.03938	1.4
67.05512	9.2
68.05022	4.6
68.99766	1.0
69.03426	5.4
69.07069	4.7
70.06593	49.8
71.04985	2.8
72.08126	0.9
72.84215	0.9
73.02906	0.8
73.99297	0.8
79.05494	11.7
80.05027	1.7
81.03406	3.3
81.07047	10.4
82.06583	1.0
83.04992	4.6
83.08612	2.5
84.04516	4.9
84.08158	4.8
85.02893	3.3
85.06529	3.5
86.09705	3.0
87.04448	2.7
88.03970	1.4
91.05473	14.9
92.05811	0.9
93.07046	13.8
94.06572	1.7
95.04983	6.8
95.08614	6.0
96.04469	1.1
96.08117	6.0
97.02894	2.5
97.06522	5.9
97.10147	1.1
98.06037	2.8
99.04444	0.9
99.49400	0.8
100.07623	14.4
103.05464	2.5
105.07030	21.4
106.06474	1.2
107.04951	2.9
107.08582	11.5
108.08118	2.4
109.02901	1.9
109.06515	9.2
109.10148	5.4
110.07168	1.2
111.04424	1.4
111.08093	1.4
114.05548	6.3
115.05437	1.7
116.06321	0.9
116.07101	3.7
116.98553	0.9
117.07010	5.0
119.04934	1.7
119.08581	27.6
120.04553	1.0
120.08115	7.3
121.06521	2.4
121.10143	8.1
122.09663	4.1
123.04419	1.4
123.08092	3.3
123.11700	2.2
125.06005	2.2
125.09612	1.7
126.05530	1.0
127.03960	1.2
128.06210	2.6
128.07076	19.1
129.06987	5.9
130.07776	2.4
131.04947	3.4
131.08562	12.3
132.08107	2.0
132.09294	0.9
133.06512	1.5
133.09052	1.3
133.10112	8.7
134.09634	3.1
135.08060	3.4
135.11728	1.4
135.46591	0.9
136.06215	1.3
136.11214	5.4
137.02295	1.1
137.05974	4.0
137.09601	3.3
139.11197	1.4
140.10686	1.0
141.06967	1.4
142.07756	6.8
142.08688	1.3
143.08586	10.8
144.08229	1.2
144.09312	2.5
145.06471	1.8
145.10120	21.4
146.09636	1.8
147.04437	2.6
147.08040	3.8
147.10538	1.7
147.11641	6.8
148.11238	6.5
149.05989	1.1
149.09621	1.9
149.13263	1.0
150.05325	1.1
150.06613	1.2
151.03909	2.6
151.06317	1.6
151.07526	1.6
153.01857	5.4
154.08617	3.5
155.08560	4.0
155.10654	1.3
156.08220	1.0
156.09300	4.9
157.10136	16.2
158.09650	1.3
159.08078	2.1
159.11725	7.5
160.11189	1.4
161.06070	1.8
161.09666	1.5
161.13298	2.1
162.12785	6.1
163.03899	1.8
163.11168	4.5
165.05463	1.7
165.06779	1.1
165.09148	6.5
165.12718	1.1
166.08636	3.3
167.07082	3.1
167.08580	2.3
168.10216	43.0
169.10107	4.1
170.10866	2.2
171.11707	8.4
172.12392	1.1
173.09625	1.4
173.13309	3.9
174.12764	1.4
175.11194	6.2
177.05447	2.5
177.07828	1.3
178.08647	8.9
179.08496	1.6
179.14233	1.4
180.07903	1.1
181.04964	3.2
181.08607	1.6
181.10121	2.8
181.12274	2.9
182.10823	1.5
183.11711	6.4
185.13274	4.5
186.12625	1.1
187.14810	1.8
189.05458	1.5
190.15929	3.4
192.10233	4.4
193.10196	1.0
194.11905	5.9
195.06538	1.8
195.11731	3.8
197.13275	6.7
199.11188	1.8
199.14874	5.0
203.14388	3.9
206.11876	1.5
207.06471	1.7
207.11768	1.5
207.13853	1.5
209.13342	4.2
211.14915	1.4
212.14238	1.7
215.14404	4.8
217.04987	2.0
219.02983	1.2
221.13348	0.7
221.15358	18.9
223.14906	4.2
225.16435	1.9
227.14305	1.6
230.11626	1.1
232.13338	2.9
234.14902	5.2
235.95090	0.9
237.16397	1.8
241.15959	1.2
244.13300	1.1
245.04559	1.0
246.14917	2.0
247.17329	0.9
252.17667	1.3
258.14865	1.7
261.07709	0.9
265.19595	3.7
272.16473	1.7
281.18927	1.4
289.03262	1.1
297.07480	1.1
299.20074	2.9
300.19736	0.9
312.19601	2.5
325.07391	1.1
353.10287	1.2
355.08167	1.9
356.22192	2.5
370.27362	5.9
371.07605	9.7
396.25134	4.4
397.09039	2.0
414.26404	100.0
415.10254	16.8
415.18594	1.4
415.26736	4.6
428.19714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.3
53.81797	1.3
55.01861	1.8
55.05512	72.1
56.05832	1.7
57.03438	27.6
57.07077	61.8
59.00828	1.3
63.16267	1.2
67.05502	26.9
69.07069	87.3
69.37206	2.7
69.37611	11.8
71.04989	2.9
71.08231	2.1
71.08631	42.5
75.04463	2.3
76.93830	1.3
79.05493	11.4
81.07053	39.2
83.04984	3.1
83.08617	61.0
85.06535	2.5
85.10179	23.9
91.05468	3.0
93.07047	16.3
95.08607	33.3
97.06535	12.3
97.10165	42.4
99.08083	2.7
99.11746	2.7
101.06015	2.9
104.18080	1.4
107.08605	15.9
109.10166	18.0
111.08077	9.2
111.11752	11.4
115.07569	4.3
121.10142	14.0
123.11707	8.6
125.09627	8.7
125.13276	5.0
129.09125	4.6
135.11702	19.6
136.12007	1.6
137.13243	4.1
139.11205	7.8
143.10699	2.0
149.13245	11.3
151.14862	2.2
153.12738	6.3
157.12253	3.0
163.14853	7.7
167.14296	6.3
177.16385	4.8
181.15916	4.5
185.15361	2.1
191.17940	3.8
195.17464	4.4
205.19389	2.7
209.18933	1.8
219.21057	3.1
223.20590	2.7
237.22150	2.7
247.24393	1.4
303.30450	9.0
321.31522	17.7
395.35226	17.2
413.36273	100.0
414.36673	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	19.2
55.01866	8.5
55.05508	28.1
57.03435	38.7
67.05175	5.9
67.05505	78.4
68.99795	3.1
69.03430	76.8
69.07063	15.0
70.32201	11.9
71.01356	3.5
71.04981	22.9
73.02904	10.8
79.05491	55.9
81.03418	88.0
81.07055	90.8
82.96576	3.2
83.04977	41.7
83.08627	14.7
85.02903	41.3
85.06550	5.4
87.04455	4.9
91.05479	59.7
93.07039	87.4
94.07391	3.3
95.04980	23.7
95.08614	29.1
97.02893	54.2
97.03497	3.3
97.06521	12.9
99.04455	16.5
99.08046	3.0
103.03943	6.7
105.07029	29.5
107.04961	10.1
107.08604	35.8
109.02878	20.0
109.06499	7.3
109.10184	5.8
111.04441	14.3
111.08090	7.0
117.07024	23.7
119.08589	25.9
121.06505	9.4
121.10154	30.7
123.04427	6.5
123.11704	5.1
127.03922	24.7
129.05479	11.5
129.07005	6.6
131.04906	4.3
131.08575	22.7
133.06499	5.2
133.10118	22.4
135.04390	4.0
135.08064	6.1
135.11743	16.3
143.08548	4.3
145.04970	4.5
145.10107	6.0
147.08044	7.4
147.11714	15.4
149.09587	11.6
149.13257	34.6
157.10118	5.3
159.11690	26.9
163.07501	3.7
165.12863	5.4
169.10268	3.9
171.11671	4.7
173.04456	4.7
173.13313	5.3
177.12756	16.7
183.06573	5.2
195.13806	34.9
198.28712	3.0
199.86087	3.1
201.07533	4.7
213.14877	7.7
244.06714	3.5
257.32886	3.5
263.12970	3.3
269.17578	19.6
275.16409	4.4
311.52798	3.3
321.17017	5.8
339.18082	12.1
351.58447	3.3
377.19855	5.4
383.61948	3.3
395.20612	8.6
413.21680	100.0
425.29636	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	413.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	19.9
53.12978	3.0
55.01868	9.9
55.05509	28.8
57.03434	43.9
57.94870	3.1
60.11995	3.6
61.02923	6.0
67.05169	6.6
67.05502	72.5
69.03081	4.9
69.03426	68.9
69.07063	17.4
71.01344	5.8
71.04990	19.8
71.12431	2.9
71.33993	4.7
71.34312	5.6
73.02910	12.7
79.05483	50.9
79.14903	3.7
81.03415	92.8
81.07053	100.0
83.04977	37.7
83.08607	19.8
83.41399	3.5
85.02895	42.1
85.06547	4.3
87.04451	8.6
88.88562	3.9
91.05470	45.5
93.07045	83.7
95.04964	21.7
95.08593	32.0
97.02896	52.5
97.06521	14.1
99.04438	21.5
99.08066	4.5
103.03933	5.5
105.07029	26.9
107.04946	9.4
107.08593	37.8
109.02882	21.1
109.06516	10.4
109.10155	8.9
111.04457	17.2
111.08068	8.0
113.05997	3.5
115.03973	4.2
117.07021	18.2
119.08549	18.1
121.06496	11.2
121.10123	33.5
123.11702	8.8
127.03891	29.7
129.05489	11.1
129.06999	7.6
131.08553	26.3
133.10130	19.7
135.07999	5.7
135.11684	11.4
137.05991	6.0
143.08562	7.7
145.06514	4.6
145.10156	8.7
147.08084	6.4
147.11714	14.8
149.09604	5.6
149.13268	40.6
157.10202	5.6
159.08057	5.0
159.11676	18.9
169.10278	4.5
171.07988	4.0
173.09724	3.4
173.13307	5.1
175.11255	5.4
177.12773	14.3
183.06508	7.3
195.13788	30.3
197.13484	3.2
213.12793	4.3
213.14868	10.2
216.98206	3.9
219.13669	3.8
267.15811	3.3
269.17331	17.9
281.13873	4.8
282.96936	3.7
303.15976	5.5
321.16916	6.0
336.21780	4.1
339.18222	6.1
360.47766	3.6
395.20370	7.7
413.21667	96.3
414.22031	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	413.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.0
51.87503	1.7
53.03943	9.5
55.01861	6.0
55.05511	10.3
57.03435	14.8
61.02924	7.3
65.03931	4.0
66.79633	1.5
67.05499	25.5
68.99780	9.7
69.03425	40.7
69.07073	6.7
69.67686	10.9
71.01364	1.5
71.04991	7.6
73.02902	4.2
79.05492	24.8
81.03415	52.8
81.07052	31.3
83.01328	2.0
83.04974	10.7
83.08605	4.2
84.08119	2.0
85.02902	24.2
85.06527	1.8
87.00816	5.1
87.04473	1.8
91.05476	79.5
92.05799	1.4
93.03423	2.3
93.07040	61.0
95.04958	11.2
95.08600	16.2
97.02888	22.6
97.06518	6.1
99.04466	8.4
99.08103	1.9
100.07594	1.6
103.03951	3.3
103.05448	4.4
104.06258	1.9
105.07013	15.1
107.04945	4.6
107.08594	13.3
109.02876	27.2
109.06507	3.9
109.10146	6.0
111.04433	4.8
111.08060	2.6
115.03909	2.9
115.05473	2.3
117.07011	21.1
119.04914	2.1
119.08577	100.0
120.08900	2.8
121.06503	6.8
121.10139	12.5
123.04430	2.2
123.08058	4.9
123.11657	1.8
127.02998	1.5
127.03917	30.9
128.06183	3.8
129.01843	7.9
129.05443	4.5
129.06972	7.5
131.08578	8.9
133.06477	2.1
133.10121	7.9
135.08026	4.1
135.11716	4.1
137.02301	2.4
137.05984	1.6
137.09587	6.8
142.07652	1.8
143.08542	1.9
145.06499	1.6
145.10152	3.4
147.02884	3.9
147.08041	41.8
147.09227	2.4
147.11665	4.4
148.08369	1.5
149.09578	4.7
149.13269	9.5
153.01811	1.7
157.10086	2.1
159.11717	7.9
159.21912	1.6
161.13271	1.5
165.09099	7.6
165.12752	1.7
167.10498	2.1
171.07863	1.6
173.09660	2.4
173.13266	2.1
177.12730	3.7
183.06480	1.6
183.10226	2.7
195.13762	8.8
197.09686	1.6
201.07442	1.5
213.03949	1.6
213.14850	3.2
217.12117	1.7
231.04898	2.4
267.87561	1.3
269.17468	4.9
281.13849	2.1
297.17401	1.4
339.17853	2.4
395.20535	3.7
413.21744	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	19.2
55.01866	8.5
55.05508	28.1
57.03435	38.7
67.05175	5.9
67.05505	78.4
68.99795	3.1
69.03430	76.8
69.07063	15.0
70.32201	11.9
71.01356	3.5
71.04981	22.9
73.02904	10.8
79.05491	55.9
81.03418	88.0
81.07055	90.8
82.96576	3.2
83.04977	41.7
83.08627	14.7
85.02903	41.3
85.06550	5.4
87.04455	4.9
91.05479	59.7
93.07039	87.4
94.07391	3.3
95.04980	23.7
95.08614	29.1
97.02893	54.2
97.03497	3.3
97.06521	12.9
99.04455	16.5
99.08046	3.0
103.03943	6.7
105.07029	29.5
107.04961	10.1
107.08604	35.8
109.02878	20.0
109.06499	7.3
109.10184	5.8
111.04441	14.3
111.08090	7.0
117.07024	23.7
119.08589	25.9
121.06505	9.4
121.10154	30.7
123.04427	6.5
123.11704	5.1
127.03922	24.7
129.05479	11.5
129.07005	6.6
131.04906	4.3
131.08575	22.7
133.06499	5.2
133.10118	22.4
135.04390	4.0
135.08064	6.1
135.11743	16.3
143.08548	4.3
145.04970	4.5
145.10107	6.0
147.08044	7.4
147.11714	15.4
149.09587	11.6
149.13257	34.6
157.10118	5.3
159.11690	26.9
163.07501	3.7
165.12863	5.4
169.10268	3.9
171.11671	4.7
173.04456	4.7
173.13313	5.3
177.12756	16.7
183.06573	5.2
195.13806	34.9
198.28712	3.0
199.86087	3.1
201.07533	4.7
213.14877	7.7
244.06714	3.5
257.32886	3.5
263.12970	3.3
269.17578	19.6
275.16409	4.4
311.52798	3.3
321.17017	5.8
339.18082	12.1
351.58447	3.3
377.19855	5.4
383.61948	3.3
395.20612	8.6
413.21680	100.0
425.29636	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	413.0482
Annotation	OREGON GREEN 488 CARBOXYLATE
Peak:m/z	Relative Intensity
56.55573	3.0
56.96555	5.9
63.45633	3.3
69.03429	4.4
70.06589	20.6
71.30681	6.1
80.12710	3.1
84.04498	4.9
84.08138	9.1
85.02927	7.3
86.06055	3.7
91.05479	3.6
97.02898	4.4
98.97578	8.8
110.07177	7.6
111.00774	3.8
115.03878	3.4
116.98653	4.9
119.04974	7.1
127.03857	4.0
129.10228	3.9
134.99638	4.3
136.06157	9.4
141.10266	4.3
147.04416	17.8
148.04750	16.5
172.93166	3.2
178.23885	3.0
182.28937	3.2
201.00728	9.8
229.19931	3.2
237.02780	5.3
269.05450	6.0
281.09897	6.9
293.51523	3.7
327.04330	4.5
369.05835	17.3
413.04688	100.0
413.14212	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	413.1415
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.02570	0.3
56.05028	1.0
57.03441	0.3
69.59849	1.9
70.06591	2.2
72.08140	1.1
74.06075	2.4
83.08577	0.3
84.04494	0.9
84.08145	1.2
85.02902	0.5
86.03755	0.3
86.06067	0.3
86.09704	0.8
91.05492	0.6
97.02859	0.3
97.06553	0.3
100.07601	0.4
102.05534	1.6
110.07164	0.6
118.35866	0.3
119.03540	2.6
119.04871	0.6
120.05739	0.6
120.06573	8.5
129.10257	0.5
136.06184	100.0
137.04582	2.4
137.06560	0.8
147.04436	1.1
162.04114	62.1
163.04350	0.4
174.84981	0.3
189.91702	0.3
263.08801	0.5
268.10385	0.9
281.09927	42.7
282.10190	1.4
294.08414	0.5
413.13989	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.05516	1.3
56.05029	2.9
56.53075	0.8
57.03429	1.5
61.01157	1.7
61.02924	0.9
67.05491	2.0
69.03426	3.0
69.79737	1.7
69.80140	4.9
70.06596	8.9
71.05007	1.5
71.07368	1.1
72.08154	3.7
79.05486	2.4
81.03397	1.3
81.07024	1.6
83.04981	1.0
83.06131	0.8
84.04517	2.4
84.08146	5.6
85.02911	2.6
86.09708	7.4
88.03997	1.9
91.05489	4.4
93.07047	3.6
95.04963	1.7
95.08609	1.1
97.02929	1.5
98.09734	1.0
99.04485	1.8
103.05470	0.8
104.05361	1.7
105.07054	2.3
107.05000	1.3
107.08620	1.0
108.08129	0.9
110.07172	1.6
111.04491	0.8
119.08616	2.0
120.08110	11.2
121.06535	1.2
121.10112	1.6
129.10252	1.7
130.06563	1.6
131.04874	0.8
136.06213	2.6
146.05998	1.3
147.04419	4.6
147.08066	1.8
147.09151	9.3
149.09628	0.9
150.68959	0.9
159.09203	1.0
172.07610	0.8
177.05511	1.1
181.84938	0.9
184.07355	4.8
188.08209	1.6
191.08206	8.6
191.10858	0.8
195.17471	1.0
195.53859	0.8
202.10741	1.3
203.05289	3.2
281.12088	1.0
281.14828	5.0
322.13947	3.1
325.14005	10.1
348.72394	1.1
351.12567	1.1
364.59888	0.9
394.12628	1.9
411.19971	100.0
412.20642	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	412.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	0.3
60.05652	0.4
61.00971	0.3
65.03917	0.6
69.03415	1.4
70.06590	4.3
70.76633	1.0
71.06917	0.3
72.08147	1.3
74.06096	0.3
76.17029	0.3
81.03408	0.3
83.04980	0.3
84.04513	0.6
84.08145	1.5
85.02907	2.2
86.06084	2.5
86.09705	1.1
90.80044	0.3
91.05476	8.0
95.04987	0.4
95.06078	0.3
97.02901	0.7
98.97549	0.4
99.68072	0.3
104.07094	0.6
110.07150	0.8
116.98650	0.3
119.04946	19.0
120.08134	0.5
127.03934	0.7
129.10196	0.6
130.04971	0.4
136.06137	0.5
136.07637	0.5
147.04410	100.0
148.04793	1.2
162.04178	0.4
165.96118	0.3
176.97014	0.5
201.00668	0.5
219.01962	0.3
237.02838	0.6
250.10732	5.2
291.08652	0.4
298.78281	0.3
309.09586	0.6
327.07455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49616	0.4
55.05493	0.8
59.26999	0.4
69.03404	0.7
69.51617	3.8
70.06586	3.3
72.08134	1.2
73.82138	0.4
81.07030	0.8
84.04447	0.7
84.08144	2.9
85.02868	0.7
85.06515	0.8
86.09664	1.3
91.05466	0.8
95.04929	0.9
105.06994	0.5
110.07151	0.7
119.01914	0.6
119.08534	0.5
120.08051	0.7
121.10051	0.6
123.04429	0.7
128.58586	0.5
131.08475	0.6
147.04382	1.1
147.09099	1.8
163.03914	0.7
177.74594	0.4
191.08147	1.2
201.05386	0.7
203.05315	0.6
207.08612	0.9
216.62230	0.5
218.10162	1.1
222.71367	0.4
225.09663	0.6
231.08615	0.4
231.40736	0.5
249.09741	1.7
266.78513	0.4
267.10788	4.4
281.14828	0.8
285.11642	0.9
291.10626	1.4
309.11606	2.0
310.11935	0.5
319.15341	0.6
323.09152	0.5
325.13858	1.8
351.12720	0.7
411.15900	100.0
412.16370	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	410.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91179	0.5
55.05506	1.1
56.05021	1.7
56.05257	0.4
63.55714	0.4
71.15711	1.0
75.39723	0.5
84.08142	60.0
85.08466	0.8
95.90669	0.5
96.60255	0.5
109.94881	0.5
112.07555	1.3
112.20509	0.6
129.45457	0.4
130.07707	1.0
130.08641	15.1
147.02649	0.5
148.89603	0.5
152.05571	1.7
156.05072	1.3
160.08203	1.1
170.06622	17.8
171.06789	0.8
172.39941	0.5
174.06174	1.2
176.07693	1.0
186.06105	1.0
188.07698	4.1
206.08701	0.6
217.11867	1.7
223.12746	0.7
225.14516	0.6
235.12906	22.6
236.13141	1.1
237.14552	1.3
245.11374	10.1
246.11398	1.0
251.12596	0.5
253.13998	1.4
261.10815	0.8
263.12418	25.4
264.12656	1.2
269.13519	0.6
271.15079	2.4
279.11935	1.2
281.13449	34.2
282.13531	1.9
297.12881	1.6
299.14508	100.0
300.14682	5.9
317.15564	92.0
318.12311	0.7
318.15829	5.9
318.44553	0.5
322.16080	5.5
410.21320	20.4
411.21585	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
56.05022	1.4
66.77582	0.3
67.05489	0.4
71.56874	0.3
71.57329	0.6
74.24657	0.4
79.71510	0.3
82.06584	0.5
84.08138	74.7
85.08466	0.6
86.09716	0.4
91.18109	0.3
108.66669	0.3
112.07608	1.4
130.08627	14.3
134.04570	0.8
134.27055	0.3
142.07126	0.8
152.05611	1.4
156.05083	2.0
158.06602	0.7
160.08217	0.8
170.06621	18.2
171.06827	0.7
174.06139	1.8
176.07669	0.8
186.06161	1.9
188.07672	3.7
193.08310	0.5
198.06178	0.6
207.13411	0.5
217.11699	2.2
223.12788	0.4
223.21472	0.4
225.14638	0.7
226.03233	0.5
235.12900	25.5
236.13028	1.0
237.14552	1.9
245.11369	11.5
249.93831	0.3
251.12468	1.1
253.14032	1.7
258.14404	0.6
261.10870	1.5
263.12402	32.2
264.12598	1.5
269.13440	1.3
271.15015	1.9
279.11938	1.1
281.13440	42.7
282.13812	1.7
297.12906	2.9
299.14499	100.0
300.14670	3.9
304.15048	1.1
317.15552	88.8
318.15848	3.1
319.16019	0.7
322.16122	4.6
340.17264	0.4
357.28741	0.4
410.21402	17.1
411.21478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01851	4.8
55.05268	3.0
55.05511	36.7
57.07072	23.3
59.05008	5.0
59.84879	2.7
65.03950	4.3
67.05505	50.8
69.03428	6.8
69.07070	28.4
69.66954	5.6
69.67364	12.6
71.04976	4.9
71.08630	14.9
79.05488	26.6
81.03410	4.5
81.07058	60.5
83.04977	8.2
83.08614	18.3
85.06534	4.1
85.10146	4.5
91.05487	40.8
93.07038	57.2
94.19540	3.0
95.04967	54.2
95.08604	56.5
97.06525	11.7
97.10174	14.7
100.07583	4.7
105.07031	100.0
107.08594	34.2
109.06499	11.2
109.10165	26.4
110.77362	3.0
111.08086	7.5
117.07021	15.6
119.08576	65.7
121.06513	18.0
121.10153	26.8
123.08070	25.4
123.11692	6.0
128.06230	8.4
129.06998	10.8
131.08575	21.4
132.09361	4.2
133.06514	5.6
133.10103	21.8
135.08057	15.4
135.11710	16.0
137.09636	11.6
137.13225	3.0
139.11165	3.4
142.07759	15.1
143.08549	18.2
144.09383	4.4
145.06528	5.0
145.10117	40.8
147.08052	23.9
147.11671	28.8
149.09647	11.9
149.13226	8.5
151.06494	4.1
151.07547	24.5
153.07021	3.7
153.09146	4.2
155.08577	4.5
156.09380	4.2
157.10150	16.9
159.08162	7.0
159.11659	15.2
161.09612	9.7
161.13283	6.9
163.11197	7.5
165.09119	41.4
168.09329	5.1
169.10127	12.2
170.10950	4.3
171.11670	12.9
173.09636	4.7
173.13284	7.9
175.11154	22.4
177.09119	4.4
181.10234	4.6
183.11748	7.4
185.13252	9.7
187.11172	6.6
187.14819	5.3
189.12788	6.5
197.13182	5.3
201.12741	9.8
203.14281	17.6
207.13788	8.4
211.14925	6.3
221.13400	4.2
221.15353	62.6
229.15883	6.6
231.13747	4.8
234.16161	12.7
286.19269	4.5
287.20047	6.2
307.29984	7.2
329.21091	6.0
335.29575	6.4
370.48621	3.6
371.31570	6.2
391.26093	5.1
409.27261	39.0
409.33105	69.5
410.27676	4.3
410.44388	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01874	3.2
55.05508	20.2
57.03397	1.9
57.07082	11.5
59.04984	4.4
59.47083	1.9
59.69980	1.9
59.74024	2.1
63.72573	1.6
65.03936	2.0
67.05500	37.5
69.03431	7.4
69.07064	13.2
71.04990	2.8
71.19294	3.6
79.05492	29.2
81.03436	2.7
81.07046	38.3
83.04991	5.6
83.08625	7.7
85.06547	5.6
85.10185	2.1
91.05473	43.5
93.07039	47.2
95.04962	52.9
95.08602	39.5
97.06522	11.5
97.08709	1.9
97.10178	2.8
103.05444	4.8
105.07030	100.0
107.04913	2.4
107.08588	26.6
109.05900	2.0
109.06522	13.0
109.10153	18.1
111.08056	2.2
111.11749	2.4
115.05447	4.3
117.07017	13.5
119.04984	4.0
119.08572	68.5
121.06497	19.3
121.10134	18.8
123.08067	26.4
123.11736	2.5
128.06229	6.5
129.06993	10.9
130.07765	4.3
131.08559	24.9
133.06512	6.3
133.10126	22.0
135.08067	16.3
135.11714	5.7
137.09599	11.8
141.07019	6.9
142.07787	13.5
143.08611	20.4
144.09311	4.7
145.10110	44.4
147.08070	16.9
147.11682	28.4
149.09634	12.5
149.13187	2.4
151.07545	25.2
153.07011	4.0
153.09012	2.1
154.07785	3.1
155.08539	8.3
156.09341	8.4
157.10129	25.1
158.07240	2.6
159.08038	4.2
159.11716	14.0
160.08821	2.5
161.09560	9.1
161.13332	2.9
163.11194	7.5
165.09093	31.9
167.08591	3.7
168.09373	4.1
169.10101	13.1
171.11740	8.9
173.09633	5.6
173.13293	8.8
174.10329	3.2
175.11163	19.0
177.09114	3.4
181.10184	4.7
181.12195	2.3
182.10968	3.0
183.11661	14.2
185.13263	5.4
187.11139	3.6
187.14827	2.9
189.12737	9.4
191.14262	4.5
193.10172	3.6
195.11745	3.4
197.13307	4.8
199.11206	3.4
199.14796	4.4
200.02437	2.0
201.12685	7.5
201.16423	2.3
203.14226	13.5
207.13724	9.2
209.13255	5.1
209.15350	3.3
211.11139	2.9
211.14787	7.2
215.14340	3.3
216.15247	2.0
219.13834	2.6
221.13272	2.9
221.15331	58.0
222.15709	2.2
223.14748	3.5
225.16322	2.2
229.15916	5.9
233.13216	2.2
233.15410	3.4
234.16122	9.7
251.14349	2.2
286.19235	4.0
287.20068	6.4
329.21136	5.4
368.33350	2.0
391.20374	5.5
391.26141	5.5
409.21887	2.8
409.27313	42.8
409.33170	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17789	1.6
53.03940	3.1
54.63312	1.6
55.01872	2.7
55.05310	1.5
55.05513	19.6
57.07064	7.6
59.04988	4.6
65.03919	3.1
67.05499	17.8
69.03420	8.5
69.07052	8.2
70.19597	8.3
71.62335	2.0
72.49706	1.6
79.05492	22.5
81.07061	27.3
83.04967	5.4
83.08577	3.1
84.08113	2.0
85.06557	2.1
91.04897	2.6
91.05479	43.9
93.06469	3.3
93.07044	41.5
95.04375	3.0
95.04969	51.8
95.08605	25.5
97.05918	1.5
97.06516	7.6
98.21539	1.8
100.07607	2.1
103.05479	3.0
105.04639	1.8
105.07030	100.0
106.07309	2.1
107.04992	1.7
107.08599	23.7
108.20961	1.6
109.06509	13.3
109.10153	7.1
111.08099	1.8
113.58501	1.7
115.05447	3.9
117.07025	11.8
119.08581	58.1
121.06492	15.5
121.10135	13.9
123.08064	18.3
128.06209	5.6
129.07001	7.5
130.07787	4.3
131.08559	25.6
132.09338	2.3
133.06459	5.5
133.10146	17.2
135.08049	15.5
135.11696	3.7
137.05962	2.4
137.09628	9.6
140.54770	1.6
141.06996	5.0
142.07780	11.4
143.08562	13.1
144.09338	3.8
145.06586	2.1
145.10121	37.1
146.07277	2.1
147.08080	17.1
147.11690	39.3
147.87428	2.0
149.09627	12.4
151.07530	16.1
153.06969	2.0
155.08540	5.8
156.09293	3.9
157.10129	18.6
158.10771	2.0
159.08051	5.9
159.11679	15.6
161.09584	6.6
161.13272	5.1
163.11150	4.5
165.09114	32.2
167.08531	3.1
168.09343	3.5
169.10118	8.0
171.11732	10.2
173.09627	6.2
173.13269	7.8
175.11171	29.0
177.09109	5.4
178.09821	2.2
181.10210	3.2
183.11679	9.3
185.13216	4.9
187.11115	3.6
187.14821	1.8
189.12741	6.3
195.11731	3.2
196.12415	2.3
197.13309	4.0
199.11086	2.9
201.12823	8.7
201.16278	2.4
203.14307	12.1
207.11859	2.0
207.13770	6.8
209.13240	2.4
209.15248	2.4
211.14818	6.2
213.12807	3.4
215.14278	3.3
216.15146	3.2
219.13811	5.8
221.15363	60.0
222.15674	4.1
227.18272	1.8
229.15817	5.3
231.13760	3.5
233.15453	3.3
234.16161	16.1
235.14784	2.4
249.16498	2.8
286.19141	3.2
287.20084	6.8
300.20755	4.5
329.21118	4.6
391.26147	3.2
409.27332	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.9
55.05507	20.9
57.07061	7.5
57.29080	2.0
59.04988	5.0
67.05499	18.1
69.03429	8.2
69.07060	9.6
69.45583	18.6
79.05492	24.9
81.03434	2.5
81.07059	30.7
83.04979	5.5
85.06538	5.9
86.91991	2.0
91.05482	35.6
93.07044	41.0
95.04370	2.7
95.04970	47.1
95.08608	23.6
97.06516	8.4
100.07604	2.3
103.05456	2.7
105.07030	100.0
107.04971	3.0
107.08589	19.9
109.06504	10.3
109.10151	6.1
115.05424	2.6
117.06991	15.4
119.04922	2.0
119.08587	60.2
120.09482	2.3
121.06527	15.7
121.10132	12.8
123.08051	15.4
124.52509	2.3
125.68136	2.0
128.06203	3.9
129.06998	9.3
130.07761	5.5
131.08563	24.2
133.06494	5.4
133.10112	16.5
135.08041	11.5
135.11656	4.4
137.09631	7.6
141.06924	2.9
142.07819	11.9
143.08563	12.8
144.09337	3.2
145.10115	38.7
147.08041	17.6
147.11678	38.9
149.09602	13.3
149.13165	2.3
151.07541	15.3
153.07001	3.9
153.09154	2.3
155.08618	4.6
156.09325	3.2
157.10129	18.2
158.10861	2.4
159.08067	3.2
159.11697	13.2
161.09659	7.7
161.13252	4.3
163.11151	5.1
165.09119	30.7
168.09297	4.7
169.10107	8.5
171.11661	8.7
173.09628	6.1
173.13249	8.7
175.11201	26.2
175.14789	3.4
177.09109	5.0
183.11699	9.1
185.13237	4.3
187.11241	3.2
189.12796	5.5
194.10692	2.3
195.11679	4.1
196.12526	2.6
197.13213	3.4
201.12704	8.3
203.14275	14.2
207.13829	10.3
211.14822	2.7
213.12668	4.5
215.14442	3.4
219.13843	6.8
221.13377	3.0
221.15358	64.0
229.15860	6.6
231.13846	3.0
234.16096	15.7
242.42293	2.1
269.19116	3.1
285.18469	2.2
287.19983	8.4
300.20856	5.4
329.21088	6.2
391.26346	5.4
409.27283	27.0
409.38776	3.1
410.27652	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93480	0.5
69.80029	2.9
85.65131	0.5
87.20486	0.5
91.80220	0.5
150.22821	0.6
171.76819	0.6
409.25598	100.0
409.67282	0.6
410.26010	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29000	1.7
53.03936	6.0
55.01869	3.8
55.05510	23.4
57.07073	5.7
59.04987	4.0
62.75199	1.9
65.03928	2.6
67.05500	19.5
69.03415	7.4
69.07056	7.2
69.87942	11.2
70.37147	1.8
71.04984	2.7
72.48490	2.2
79.05494	23.5
81.03401	2.4
81.07058	36.2
82.06578	5.5
83.04984	5.7
83.08592	2.5
83.90041	2.1
85.06526	2.4
87.89780	2.0
91.05474	38.4
93.07040	43.1
95.04961	51.8
95.08607	27.2
97.06544	7.0
98.20846	4.0
100.07621	3.0
103.05472	4.0
105.07027	100.0
107.08583	26.3
109.06532	9.5
109.10143	6.7
115.05459	2.3
117.07021	17.5
119.04940	2.1
119.08582	57.2
121.06522	12.0
121.10141	18.3
123.08051	16.8
128.06219	5.0
128.07076	3.4
129.06979	12.8
130.07774	5.9
131.08566	21.1
133.06496	3.9
133.10138	18.7
135.08083	10.2
135.11662	3.6
137.05893	1.9
137.09605	7.7
141.06969	5.7
142.07791	13.2
143.08560	18.1
143.44386	2.1
144.09323	4.6
145.10115	34.0
147.08041	15.6
147.11690	34.9
148.68005	2.1
149.09642	11.2
151.07545	17.4
153.07034	2.6
155.08563	8.5
156.09360	3.6
157.10085	18.3
158.10805	1.9
159.08028	5.5
159.11676	12.9
161.09579	9.5
161.13222	4.5
163.11177	6.4
164.91045	2.2
165.09116	30.4
167.08595	4.6
168.09323	3.4
169.10045	10.8
171.11633	10.7
173.09567	7.1
173.13268	4.9
175.11179	16.9
177.08972	3.2
179.08554	2.9
181.10068	4.8
181.12398	3.1
183.11731	10.1
185.09682	3.1
185.13293	5.1
187.11229	2.8
187.14766	3.0
189.12729	6.3
191.14169	2.7
195.11714	2.4
197.09636	2.0
197.13278	2.3
199.14745	2.8
201.12714	7.6
203.14282	13.4
205.81551	2.1
207.11818	3.1
207.13835	5.5
209.13235	6.3
209.15233	2.8
211.14865	5.0
215.14307	3.3
219.13918	2.9
221.15344	52.7
223.14938	2.0
225.16238	3.3
227.14354	2.5
229.15901	3.5
233.15430	3.2
234.16153	12.4
253.15819	2.6
286.19174	2.8
287.20212	5.9
300.20883	5.7
329.21112	3.2
391.25992	4.0
409.12943	7.2
409.27411	24.9
410.13635	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99428	0.5
69.46076	1.4
69.46490	2.8
86.12787	0.5
173.09775	0.4
178.59572	0.5
196.52719	0.6
295.15164	1.2
309.16721	1.0
331.70358	0.5
409.25613	100.0
410.25958	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
55.05507	0.9
57.03403	0.5
67.05222	0.4
67.05499	4.3
69.07052	0.8
79.05474	1.6
81.07037	2.0
83.04996	0.6
84.08121	1.5
86.95567	0.5
91.05476	1.7
93.07027	2.4
95.04937	0.8
95.08601	1.7
98.09713	0.7
99.08089	0.5
100.07629	2.1
105.07012	1.4
107.04930	0.5
107.08569	1.4
109.10162	3.1
112.11242	0.8
119.08586	1.6
121.10141	0.9
135.11668	1.3
137.09532	0.5
143.08577	0.5
145.10136	0.9
164.26819	0.4
173.11757	0.7
173.13235	0.7
196.20595	0.7
242.50610	0.4
409.25592	100.0
409.39020	1.9
410.25967	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52004	0.3
54.20568	0.3
67.05537	0.3
68.82082	0.3
70.54681	0.8
70.55048	0.9
75.45044	0.4
78.42438	0.4
81.07050	0.7
123.17908	0.3
144.97250	0.3
148.41667	0.3
210.01529	0.4
274.72046	0.4
295.15210	1.2
309.16705	1.0
335.21793	0.5
409.25613	100.0
410.25919	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	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.4
61.91153	0.2
62.06110	0.3
67.05501	0.4
69.24215	3.2
78.21867	0.2
79.05549	0.3
81.07068	0.3
82.06570	0.4
84.08128	2.3
91.05477	0.3
93.07040	0.3
95.08612	0.3
97.02891	0.4
98.09691	1.5
100.07619	2.7
105.07006	0.4
107.01086	0.4
110.09689	0.3
112.11242	0.6
114.15761	0.3
119.08633	0.4
129.13937	0.3
169.13313	0.6
171.14897	0.5
196.20612	0.3
203.05319	0.4
224.16512	1.0
228.47116	0.3
247.13077	3.0
257.04446	1.0
335.24240	0.5
409.18314	100.0
409.39328	1.4
410.18689	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	409.2195
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
52.26109	0.5
55.05517	1.1
60.22362	0.5
62.27013	0.4
67.05502	1.8
69.03412	1.5
69.07062	0.5
70.97935	1.2
79.05482	0.8
81.07046	2.0
83.04971	1.5
84.08145	1.2
85.02903	0.8
91.05504	1.7
93.07039	3.7
95.04951	0.6
95.08608	1.9
97.02890	1.0
100.07613	0.6
103.54349	0.4
104.33745	0.4
105.07026	1.7
107.08585	2.0
109.06503	0.4
109.10159	1.5
111.04426	0.9
117.06982	0.7
119.08592	2.0
121.10138	3.1
123.11685	0.6
131.08546	1.0
133.10138	1.5
135.08089	0.5
135.11717	1.5
143.08588	0.6
145.10143	1.7
147.11786	1.1
157.10104	0.8
159.11638	0.8
161.13266	0.9
173.13264	1.3
176.60086	0.4
187.14838	1.3
189.16440	1.2
201.16415	2.1
203.18036	0.8
246.88930	0.6
247.65721	0.5
271.13120	0.4
335.18213	0.8
391.33408	0.8
409.21954	100.0
410.22415	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	409.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51038	1.3
55.01865	2.8
55.05511	38.4
56.05026	6.7
56.05845	12.8
57.03431	6.1
58.68634	1.4
58.99581	22.7
59.99494	2.1
59.99904	1.9
60.99157	6.5
61.01134	1.7
67.05486	1.5
68.04992	1.7
69.07059	3.6
69.26617	8.6
69.27050	8.4
70.06567	3.6
72.08145	4.3
73.01154	2.3
76.00228	1.6
76.02232	11.8
76.03996	5.8
77.02565	1.9
78.01810	12.6
79.05479	2.6
81.03397	1.7
81.07053	9.5
82.07372	4.8
83.06094	4.0
83.08619	39.6
84.04507	39.1
84.08134	4.3
84.08949	20.2
85.02900	2.0
85.04829	14.1
86.09709	1.8
86.99049	15.5
87.99407	1.9
88.00215	2.5
88.02203	4.5
88.98624	4.2
89.02232	2.3
91.05498	2.0
95.04971	2.5
95.08593	2.5
98.09686	6.7
99.05587	2.3
99.08083	3.4
99.10020	5.9
100.08395	2.7
101.09657	2.3
102.05532	3.6
102.10010	2.5
105.07033	1.8
107.08598	2.3
111.10031	1.7
113.04235	1.7
113.18871	1.6
115.03811	2.0
116.01678	65.0
116.02499	3.3
117.02058	17.5
118.01260	14.1
119.01582	2.2
119.04933	2.5
120.08094	2.2
123.04420	8.3
129.06607	7.0
130.05016	8.9
130.06920	3.3
131.05301	3.3
142.03273	2.9
144.01135	26.3
145.01511	10.9
145.06029	2.5
146.00719	4.4
147.04428	6.3
148.04738	2.9
149.04988	1.9
151.03961	1.9
156.08453	2.0
156.10207	3.5
157.08778	2.6
157.10503	5.2
158.07996	6.5
159.06403	2.4
159.08388	29.2
160.08751	18.6
162.02208	100.0
163.02567	40.8
164.01711	11.1
165.02090	2.6
176.09029	3.7
176.11070	1.9
177.09428	4.3
177.11372	1.9
179.04758	2.0
181.04396	2.6
193.04982	1.5
201.05675	1.8
203.03397	3.1
206.09294	1.6
219.06706	1.5
229.04915	3.3
245.04446	3.0
245.10390	1.6
253.13144	1.5
257.04456	4.3
259.10962	5.0
260.11505	8.2
261.10651	20.2
262.11050	59.6
263.11411	40.4
264.10730	2.7
271.06177	2.7
271.10748	2.5
279.13672	4.9
280.14093	12.3
283.05649	3.3
287.05643	9.3
299.05908	1.7
313.11792	1.8
333.14578	2.3
334.15308	18.0
341.11368	2.2
373.14142	2.7
391.15189	4.5
409.09259	8.5
409.15762	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01869	2.9
56.05038	10.3
57.03425	2.7
60.04523	11.5
60.11440	0.9
60.99168	1.2
61.02927	3.8
65.03932	1.5
67.05507	1.7
69.03422	11.9
69.07075	1.2
70.02953	2.2
70.06594	16.5
70.45755	1.5
70.46152	2.3
71.04991	1.9
72.04497	0.9
72.08164	3.3
73.02927	2.1
78.01819	2.5
79.05501	1.4
81.03414	4.2
81.07065	1.8
82.07392	1.3
83.04977	2.5
83.60870	0.9
84.04514	11.7
84.08145	4.3
85.02428	1.9
85.02904	21.9
85.04848	1.3
85.90769	0.9
86.09710	4.3
87.04473	2.0
88.03992	1.4
89.02254	1.1
91.03930	1.7
91.05482	8.2
92.05820	1.8
95.04977	3.6
96.04500	3.2
96.05309	0.8
97.02897	13.5
97.06561	0.9
98.06039	1.8
98.09669	2.8
99.04455	3.3
102.05541	23.2
104.04985	2.3
105.07015	1.2
106.06545	1.8
107.04955	3.8
109.02901	3.2
111.04461	3.1
112.03976	1.6
116.07072	9.2
117.05758	1.3
118.01271	1.3
118.06535	9.3
119.04950	9.1
120.04472	4.2
120.05284	3.6
120.08125	2.1
121.05525	1.1
127.03931	4.1
128.04922	2.7
129.10237	1.6
130.02908	2.6
130.05020	1.2
130.06564	4.3
131.06030	8.6
132.04459	14.1
136.07590	1.6
139.03923	1.9
143.07256	1.1
144.08054	5.1
145.05022	1.8
145.07602	15.4
146.06009	80.4
147.04413	24.5
147.05542	65.7
147.08020	1.3
148.04762	12.6
148.05849	1.7
149.04939	6.9
153.76733	1.0
154.06528	7.8
156.08099	2.9
157.07634	1.8
158.06009	2.7
160.07587	12.7
162.05467	5.0
162.09140	3.9
163.08670	2.0
164.01794	1.5
165.05519	1.1
167.07024	1.0
168.08174	1.5
169.07632	4.8
170.08354	1.2
171.09158	6.5
172.03981	2.4
172.07562	5.9
173.07072	5.4
177.05479	1.8
183.09203	2.7
184.07510	5.2
186.05569	1.7
187.08694	3.4
188.07079	2.9
189.10257	4.2
191.08176	1.5
199.08643	1.2
200.13933	1.5
202.08661	1.8
211.08688	3.8
212.06992	1.8
229.09685	12.3
230.08131	3.0
243.05099	1.4
245.05487	1.5
247.10788	100.0
248.11105	2.6
259.11322	1.1
260.11487	1.7
261.10916	3.5
262.11017	7.2
269.50522	1.0
271.20529	1.0
305.09207	1.2
409.10745	10.1
409.16055	12.1
409.21301	2.6
410.18146	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.05509	30.7
56.05031	2.1
66.57421	0.8
67.05491	3.6
69.07067	1.5
70.06590	2.2
74.02435	12.3
79.05495	2.2
80.04984	1.3
81.07059	3.5
82.06577	100.0
83.06895	1.0
91.05493	1.3
93.07027	2.8
95.04951	1.8
95.08615	2.6
96.08128	1.3
100.07614	27.5
100.50123	0.9
105.07036	4.2
107.08572	2.0
109.10150	1.9
110.08343	0.8
119.08568	3.0
121.10104	1.0
128.07072	66.6
146.08118	36.3
147.11694	1.0
156.10210	2.1
157.09993	0.9
159.11588	0.9
175.11098	0.8
221.15375	2.1
229.26396	0.9
408.31134	2.7
409.27185	1.4
426.64566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97026	4.0
53.03935	7.2
55.01857	4.2
55.05507	26.7
57.03415	4.8
67.05514	47.3
69.07069	22.8
71.23151	6.3
76.07400	3.9
79.05504	40.8
81.03409	4.5
81.07056	48.9
83.04985	5.3
83.08610	11.9
84.04498	5.1
84.08140	13.0
91.05481	78.3
93.07053	38.6
95.04958	10.4
95.08600	38.8
97.06493	6.1
97.10171	5.3
98.09679	4.5
100.07610	15.7
103.05485	8.9
104.61869	3.8
105.07023	67.0
107.08609	23.4
109.06522	4.7
109.10130	8.2
111.01357	4.2
112.11250	8.8
117.07021	20.6
119.01901	6.1
119.04937	6.2
119.08577	46.4
121.06419	6.1
121.10138	11.5
123.08097	5.4
128.06175	4.4
129.06993	19.4
129.13797	4.1
130.04956	6.1
131.08572	41.1
133.10136	25.4
135.07996	5.3
135.11729	6.8
143.08582	15.8
144.95830	4.7
145.10138	25.4
147.04396	15.1
149.09616	5.3
155.08540	9.2
157.10146	9.2
159.11707	8.7
167.08647	5.0
169.10098	10.5
171.11679	8.7
171.14993	6.6
173.13242	7.7
181.10210	6.4
182.64499	4.0
183.11693	9.7
185.09497	4.4
185.13187	6.3
192.03169	4.1
195.11647	4.5
197.13219	5.2
199.11069	4.0
199.14725	5.4
211.14752	4.5
213.12535	3.9
215.18053	4.8
225.16524	4.8
233.15448	7.0
247.17014	8.4
335.23743	7.2
343.26288	10.2
353.24829	25.9
360.26971	4.2
371.25922	42.2
389.21652	34.9
389.26843	100.0
390.27039	4.9
407.37436	11.6
412.80518	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65734	0.4
69.01517	0.5
69.51424	1.7
69.51852	2.1
79.73618	0.5
84.08147	0.5
91.05473	0.6
95.05891	0.5
119.18587	0.5
165.48242	0.5
241.95653	0.6
337.16162	1.2
407.24017	100.0
408.24359	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	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
65.90560	0.7
67.05483	1.7
69.07059	0.8
70.20458	2.7
72.02631	0.6
78.34544	0.5
79.05469	1.5
80.32927	0.6
81.07053	1.4
84.08122	2.0
91.05479	1.2
93.07024	1.7
95.08582	1.1
96.03790	0.8
97.02871	0.6
98.20915	0.8
100.07620	1.4
105.07019	2.0
119.04934	1.2
119.08591	1.6
121.10156	1.0
131.08626	0.8
143.08615	0.5
147.04437	2.0
184.04689	0.7
407.24020	100.0
407.37115	1.7
408.24353	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	407.279
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03948	6.7
55.01858	6.8
55.05503	32.6
56.51491	5.3
65.03970	6.4
67.05506	61.4
69.07053	24.2
71.04996	6.2
71.21598	9.0
71.21935	6.6
76.26516	5.1
79.05489	48.7
81.07062	58.6
83.04947	6.2
83.08617	7.1
84.04502	9.1
84.08147	8.4
85.06528	6.1
91.04962	9.6
91.05478	100.0
92.71800	5.1
93.07039	39.0
95.04971	21.2
95.08598	39.6
100.07623	15.5
100.96107	5.3
103.05483	6.2
104.46605	5.0
105.06385	9.4
105.07030	95.0
107.04955	6.4
107.08601	27.8
109.06536	5.2
109.10143	15.3
111.08092	5.9
117.07018	29.3
119.01912	11.5
119.08569	58.0
121.06466	11.1
121.10124	24.4
129.06989	25.3
131.08551	55.2
133.10124	30.0
141.07022	7.6
142.07780	7.6
143.08571	16.1
145.06479	7.1
145.10114	24.4
147.04443	12.7
147.11700	17.0
149.09630	8.7
155.08546	14.2
157.10133	15.1
159.11691	18.2
161.13266	6.4
169.10115	11.2
171.11678	21.2
173.09573	5.0
183.11598	13.9
185.13272	8.4
187.14786	6.9
195.05058	6.9
197.13304	7.8
199.11252	5.4
209.13310	6.9
211.14604	9.4
223.14958	6.7
225.33247	4.9
233.15353	7.3
237.86481	5.0
247.16940	8.3
252.95508	5.1
261.18616	5.5
325.25333	8.1
335.23688	9.4
343.26288	18.6
353.24673	44.1
371.25723	50.5
389.21704	38.8
389.26819	91.1
390.26953	8.5
407.27731	5.3
407.37561	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	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
59.67001	1.1
60.36013	1.0
67.05496	3.3
68.34666	1.0
69.07043	1.5
70.21482	1.7
70.21861	3.9
70.65109	0.9
79.05482	1.6
81.07038	2.8
84.07628	1.7
84.08141	35.0
86.47236	1.1
91.05479	1.9
93.07023	2.0
95.04976	1.8
95.08587	1.4
98.09692	1.9
100.07625	2.2
105.07024	1.1
107.08543	1.3
109.10135	2.2
121.10110	1.2
130.08629	1.7
133.10127	1.3
137.31229	1.0
147.04430	2.3
163.58698	1.1
165.71681	0.9
182.97360	1.0
309.16556	2.0
321.16724	46.3
344.29434	1.6
389.22263	0.9
407.24026	100.0
407.32831	2.8
408.24240	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80241	1.4
69.80656	2.7
98.20852	1.2
103.80594	0.5
263.38840	0.6
295.15103	1.3
309.16800	2.1
325.16177	0.9
407.24023	100.0
408.24466	2.7
425.24359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	0.7
70.00896	3.7
70.06588	0.8
77.73439	0.6
77.78430	0.6
78.18153	0.7
98.20832	0.9
139.88359	0.7
140.21004	0.7
146.03183	0.7
190.91110	0.6
204.04713	0.7
295.15182	0.9
301.29218	1.3
309.16989	0.7
314.86588	0.7
319.94067	0.8
407.24048	100.0
408.24387	3.9
432.29742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
62.93720	0.6
67.05479	0.8
69.03403	0.7
69.07063	0.9
70.87296	1.6
79.05505	1.0
81.07065	1.6
83.04968	1.3
85.02915	0.9
91.05473	1.9
93.07030	1.4
95.04954	1.0
95.08608	1.5
96.01846	1.0
100.07573	0.9
105.07001	1.1
107.08588	1.4
112.37038	0.7
114.95643	0.7
119.08566	1.0
121.10109	1.6
131.08598	0.8
150.31361	0.7
191.82487	0.7
243.35646	0.7
321.16650	2.7
407.24020	100.0
408.24396	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	16.9
56.14859	7.0
56.96560	36.7
57.77702	7.6
67.05495	26.2
69.07070	10.1
69.38521	70.8
70.06597	9.7
79.05495	20.3
81.07051	29.9
83.04964	8.5
83.08588	8.6
84.08127	34.0
91.05470	29.0
93.07039	21.7
95.04956	19.1
95.08611	17.9
100.07613	20.7
105.07034	23.9
107.08599	13.9
109.10129	9.2
112.11264	11.1
118.61404	8.8
119.04873	11.1
119.08601	13.5
121.10168	7.8
128.98602	9.9
146.99658	21.6
147.04428	47.6
171.14897	8.1
184.04396	11.6
189.04092	8.8
315.16333	33.5
333.17377	78.0
351.18469	39.6
389.22897	11.9
407.23880	100.0
407.37042	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	407.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.2
56.96560	21.7
67.05505	37.9
69.07066	13.4
71.57796	11.3
79.05485	13.3
81.07048	29.5
83.08598	12.2
84.08135	28.2
84.65135	9.2
85.28774	8.1
91.05473	23.5
93.07032	21.7
95.08601	22.5
97.02847	9.1
98.09694	12.7
100.07616	20.2
105.07036	22.3
107.08582	20.1
109.10155	15.6
119.04931	8.2
119.08570	17.1
121.10187	9.5
131.08533	14.4
133.10229	9.4
145.10127	9.4
147.04417	25.8
157.10153	11.0
169.13425	9.1
195.11552	9.5
275.20193	9.8
315.23062	8.3
333.17661	14.9
351.18375	29.0
389.22925	46.5
407.24066	100.0
407.37509	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	407.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01871	10.2
55.05487	2.0
56.05025	0.8
65.03938	6.4
67.05495	6.1
67.81737	0.7
69.03417	2.6
69.76283	1.2
69.76692	3.9
70.06582	2.7
71.02145	0.7
71.04977	0.9
71.89127	0.6
72.08153	1.6
76.02234	0.7
79.05492	2.4
81.07042	1.7
82.04181	1.5
83.04985	7.2
84.04527	1.6
84.08134	2.2
85.02892	3.2
86.09698	2.2
87.00838	1.0
91.05472	12.4
92.05750	0.9
93.03398	2.6
93.07047	1.5
94.04169	1.0
95.04967	14.1
95.08602	1.3
96.41756	0.6
97.02861	1.3
97.06525	2.0
98.97636	1.5
101.85163	0.7
103.05460	4.9
105.07034	1.4
107.04941	3.3
109.02840	0.7
110.03661	2.6
111.04443	9.0
115.05428	1.0
117.07008	1.6
119.04106	1.5
119.04936	24.7
119.08614	1.3
120.08091	1.6
121.02887	1.1
121.06525	1.5
122.03623	2.4
123.00787	0.8
123.04423	2.1
125.05999	1.3
128.06248	1.1
129.07022	5.0
129.10201	1.4
131.04935	6.1
131.08586	0.9
136.06215	0.9
137.05978	17.1
138.03058	1.1
139.03911	6.6
142.02596	1.7
145.06488	3.1
147.04404	100.0
148.04781	2.9
149.05959	3.1
149.09723	0.8
151.07562	1.1
153.05394	1.3
155.07021	0.8
157.05196	0.9
157.06479	4.9
159.04358	0.8
160.05193	1.0
161.05959	2.0
163.07524	2.8
165.05463	1.9
167.07040	8.5
171.06596	3.7
174.06873	1.7
175.07568	3.6
177.05472	9.3
181.04944	48.6
183.06586	1.0
185.06090	0.8
187.07455	0.9
189.09117	5.1
199.07538	0.8
205.08609	2.9
209.08076	14.5
217.08636	3.8
235.09592	6.6
243.05043	8.6
260.11362	2.4
275.09259	1.4
277.08731	1.0
303.08667	5.0
304.69095	0.8
339.12610	0.8
341.13773	1.1
359.14786	1.0
371.14911	3.9
389.16077	12.9
407.09634	7.3
407.14236	0.9
407.22412	0.9
407.37930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01855	0.9
55.05511	2.2
56.05006	0.4
57.03421	0.6
57.26571	0.2
65.03927	2.9
67.05501	4.2
68.99780	0.9
69.03427	2.0
69.07050	0.7
69.46371	2.7
70.06581	1.3
72.08149	1.0
74.20127	0.3
79.05476	0.5
81.03407	0.8
81.07063	0.5
83.04977	6.7
83.06077	1.8
84.04490	2.2
84.08141	1.4
85.02894	0.6
85.70251	0.3
86.09692	3.1
87.00820	1.3
91.05474	11.7
93.03378	1.4
95.04962	9.5
97.02895	0.7
97.06477	0.3
98.21450	0.6
99.94986	0.3
100.07611	0.7
101.07126	0.4
105.00070	0.7
105.01858	0.5
105.06998	0.4
111.03831	0.2
111.04431	8.5
119.04935	27.7
120.05273	0.6
120.08087	4.4
121.02871	1.4
127.03944	0.6
129.05466	0.6
129.06548	0.4
129.10153	0.7
130.06572	0.3
132.10225	1.4
132.55714	0.3
139.03896	7.2
147.04401	100.0
148.04756	1.9
153.01758	0.4
157.04956	0.6
157.07668	0.4
162.79257	0.3
163.03951	0.3
165.05498	1.6
166.08667	0.7
167.07051	0.5
186.09140	0.6
192.99660	0.4
196.14352	0.6
199.05963	0.5
214.15480	0.4
224.13889	0.5
225.03931	0.4
230.12840	1.1
231.11324	1.2
243.05000	11.1
243.07489	0.6
244.05309	0.3
258.12210	0.3
259.09518	0.5
267.15921	0.4
275.09167	1.6
283.10828	0.4
303.08545	4.1
317.01074	0.4
333.13269	1.2
335.02222	1.3
361.04105	0.7
389.03091	0.7
389.21869	1.3
407.04291	0.9
407.09512	7.1
407.22931	1.9
407.37582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69935	0.3
51.85352	0.3
53.03940	0.4
55.05521	1.8
65.03937	2.2
67.05177	0.4
67.05505	4.8
68.99777	0.5
69.03423	1.5
70.35513	1.1
70.35929	0.7
74.32044	0.3
83.04984	6.8
87.00824	1.6
89.17889	0.3
91.05479	12.1
93.03425	1.5
95.04967	10.0
105.01855	0.7
111.04439	8.7
116.03847	0.3
119.04942	26.2
120.05281	0.6
121.02854	1.1
129.05493	0.5
139.03906	7.9
147.04405	100.0
148.04767	2.3
157.04950	1.1
165.05498	1.4
199.06039	0.3
201.83577	0.4
225.03955	0.5
243.05000	11.3
275.09137	1.7
303.08636	6.0
407.09741	9.9
408.10037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45897	1.3
55.01869	4.0
55.05501	3.1
55.36956	1.5
56.05035	9.6
57.03435	7.4
58.99585	19.7
67.05502	1.9
68.05012	3.4
69.07059	2.0
71.49549	3.6
71.49941	1.1
73.01146	3.1
74.00658	3.7
76.01824	2.6
76.02229	30.5
76.02668	1.6
76.03992	3.4
77.23560	1.2
79.05490	6.6
81.07057	25.8
83.06111	3.3
84.04503	36.0
85.01112	5.8
86.00663	5.1
86.99039	9.5
87.02699	9.8
88.02229	3.4
95.08588	4.6
97.01110	1.4
97.06508	3.3
98.09683	13.7
99.05621	1.5
99.08096	5.3
99.88485	1.3
102.05559	6.6
104.87816	1.3
105.07058	1.6
110.09647	2.4
112.03967	3.2
113.04218	7.0
114.03817	2.1
115.05800	2.4
116.01678	32.8
122.09646	2.8
123.08038	1.5
129.06569	3.8
130.01210	1.3
130.05009	8.8
130.06845	7.1
130.08717	2.8
139.05786	1.8
142.03183	2.6
144.01143	11.3
145.06053	1.9
147.04333	1.4
149.84245	1.3
156.08427	22.4
156.10225	12.4
157.06828	10.4
162.02206	27.1
162.03458	2.2
170.02740	1.9
171.02242	1.4
174.09476	14.0
179.04842	9.7
187.05339	2.2
189.03381	2.8
210.11217	2.5
216.06841	6.6
233.05916	3.3
259.11115	100.0
260.11603	2.6
313.12183	2.7
331.13226	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	406.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53310	0.4
53.03944	1.1
55.05513	31.8
56.05043	1.9
56.32526	0.4
57.93824	0.4
67.04257	0.5
67.05510	1.9
69.07048	1.0
70.06592	1.6
70.72749	0.6
74.02441	16.4
79.05492	1.8
80.05013	1.5
81.07054	1.4
82.06581	100.0
83.04978	0.4
83.06905	0.9
83.37651	0.3
86.02442	0.5
90.23139	0.3
91.05455	0.9
92.46409	0.4
93.07049	1.3
95.08614	1.1
100.07620	28.7
107.08578	0.5
109.10130	0.6
110.06047	0.6
119.08556	0.5
121.10152	0.7
126.04415	0.4
126.05476	0.6
128.07080	69.5
129.07423	0.8
133.06487	0.8
133.10107	0.5
135.11688	0.5
145.10027	0.5
146.08124	33.8
147.04405	1.0
256.26340	0.5
327.12863	0.4
363.26340	0.5
389.21594	1.2
406.29340	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2635
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03947	11.1
55.01870	17.5
55.05513	48.7
55.43180	3.2
57.03436	13.2
57.07082	6.6
57.65649	3.0
65.03944	7.6
67.05507	88.0
67.18306	2.9
68.47555	3.1
69.03427	37.4
69.07072	34.0
69.80305	21.1
71.04994	12.9
73.02924	4.6
79.05492	75.5
81.03410	27.2
81.07057	100.0
83.04980	51.2
83.08614	20.6
85.02917	11.5
85.06545	6.0
91.05479	93.8
93.07044	87.9
95.04970	24.6
95.08604	53.7
97.02902	16.8
97.06528	14.0
97.10191	8.9
99.04456	8.4
99.08110	4.4
100.07625	5.1
103.05466	5.7
105.07029	89.9
107.04969	10.7
107.08594	48.5
109.02899	4.1
109.05875	2.9
109.06515	16.9
109.10146	27.9
111.04449	22.1
111.08082	6.8
112.11247	3.7
113.09635	3.3
115.05497	6.1
117.07021	44.1
119.04920	3.7
119.08578	62.4
121.06496	10.3
121.10143	41.8
123.04422	6.7
123.08091	10.7
123.11743	8.3
124.08129	3.4
125.09612	6.0
127.03973	7.1
128.06252	9.8
129.05557	4.6
129.07014	31.1
130.07779	4.1
131.08571	60.0
133.06500	12.4
133.10138	52.0
135.08066	14.8
135.11729	21.3
137.09610	8.4
141.06996	6.5
142.07758	9.2
143.08562	23.5
143.09540	4.0
145.06497	9.6
145.10123	52.8
147.08047	11.4
147.11693	36.1
149.09604	10.7
149.13214	9.4
151.07513	5.4
151.11148	4.1
152.93898	3.1
155.08551	12.6
157.06502	7.3
157.10158	26.3
158.11020	3.2
159.08061	8.5
159.11719	36.5
161.09648	10.2
161.13229	16.9
163.11151	4.9
163.14937	4.5
167.08531	5.9
169.10175	14.0
171.08063	7.8
171.11635	20.3
172.95090	3.6
173.09674	9.0
173.13274	21.0
175.11186	7.8
175.14854	10.2
177.12785	5.7
179.14323	4.5
181.10077	4.5
183.07898	4.5
183.11783	11.3
185.09589	6.3
185.13310	14.8
187.11209	4.9
187.14865	7.9
189.09334	3.7
189.12860	6.1
195.11740	5.9
197.13319	7.3
199.11160	5.4
199.14854	10.3
209.13269	4.7
211.11151	4.7
211.14757	5.0
213.12827	3.3
213.16353	3.6
215.14368	6.0
221.13350	3.7
223.14896	4.1
225.16635	4.3
227.14313	3.9
231.13751	3.9
239.14323	4.1
243.14026	5.3
245.15562	3.3
259.20657	7.3
269.19022	3.5
271.20578	7.7
273.22128	11.4
277.21710	8.3
277.88977	3.6
285.22131	7.5
289.21701	10.3
291.23279	6.5
301.21603	13.9
303.23260	9.4
313.21750	6.9
315.23215	13.1
319.22601	8.1
327.23260	9.8
331.22964	5.8
333.22302	4.2
341.24771	12.2
345.24335	12.0
351.23108	17.1
359.25955	6.6
369.24280	58.2
369.67654	3.4
387.25339	43.1
405.26263	79.3
405.36218	5.7
421.52829	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	405.2634
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03936	11.9
55.01867	14.0
55.05510	55.1
57.03440	12.7
57.07080	5.0
59.05014	2.8
65.03932	6.5
67.05503	94.4
69.03428	32.8
69.07069	33.0
69.42644	21.0
69.43056	3.8
71.01358	2.9
71.05007	12.6
71.08621	2.5
73.70851	2.4
74.02427	2.9
79.05492	80.4
81.03411	34.6
81.07053	100.0
82.06578	24.2
83.04971	26.7
83.08606	15.8
85.02909	13.9
85.06529	3.9
86.61301	2.8
87.04453	2.7
91.05481	90.6
93.07041	81.2
95.04967	24.7
95.08606	67.8
95.09130	1.6
97.02888	14.3
97.06519	9.7
97.10166	8.2
98.06028	3.7
98.20801	5.3
99.04456	9.0
99.08098	3.1
100.07629	9.2
103.05443	2.8
105.07029	83.0
107.04975	12.3
107.08585	52.5
109.02866	10.4
109.06522	13.3
109.10146	26.4
109.92147	2.6
111.04437	15.5
111.08086	6.5
115.05461	7.0
117.07026	43.5
119.08577	66.9
121.06500	10.6
121.10151	38.2
123.04422	4.4
123.08082	6.3
123.11677	8.1
125.09651	4.1
127.03889	4.5
128.06201	9.9
128.07069	12.3
129.05499	5.3
129.07010	28.3
130.07779	3.2
131.04942	3.3
131.08578	51.8
133.06485	18.1
133.10126	47.8
135.08044	9.4
135.11693	26.6
137.05977	4.8
137.09612	7.1
141.06982	11.6
142.07817	9.6
143.08568	33.5
144.09364	3.6
145.06496	8.9
145.10123	46.9
146.08134	8.6
147.08043	13.1
147.11678	32.6
149.05966	3.0
149.09633	7.6
149.13264	10.2
151.07518	4.3
151.11189	3.4
153.09113	2.7
154.07755	3.0
155.08528	18.4
157.06456	4.8
157.10092	23.2
159.08080	7.9
159.11682	39.3
161.09590	10.6
161.13240	17.8
163.07481	3.3
163.11140	5.8
163.14813	5.0
165.07001	3.2
165.09055	4.3
167.08588	5.7
169.10123	13.9
170.10844	3.0
171.08052	7.7
171.11647	19.4
173.09615	5.7
173.13263	25.0
175.07510	3.6
175.11189	9.3
175.14777	5.1
177.12746	3.8
181.10165	5.1
183.08041	3.0
183.11684	14.7
185.09587	4.2
185.13263	19.8
187.11147	4.9
187.14801	7.5
189.16380	6.0
191.10547	4.5
191.14215	4.9
195.11740	6.2
197.09731	3.4
197.13229	8.4
199.11192	3.3
199.14845	10.2
201.12756	8.3
209.13287	4.2
211.14702	5.5
213.12633	3.3
213.16417	5.2
215.14371	3.5
219.13809	2.8
225.12813	4.5
227.14319	3.9
235.16891	4.3
253.19621	3.3
255.21065	4.2
259.20651	8.7
261.22070	4.6
271.16547	3.1
271.20572	4.9
273.22098	6.5
277.21640	9.5
285.22025	7.4
287.19989	3.6
289.21561	9.5
291.23169	6.4
295.20432	3.1
301.21585	12.3
303.23126	6.8
307.28256	18.7
313.21613	8.0
315.23135	13.1
319.22568	12.4
323.23859	5.5
327.23123	9.9
331.22629	10.7
341.24774	10.0
345.24258	11.6
351.23264	14.0
359.25830	3.3
369.24197	57.8
369.28577	4.7
377.26901	3.9
387.25259	44.0
405.26306	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01864	8.0
55.05508	64.3
57.03417	3.8
65.03952	4.8
67.05505	59.8
69.03412	4.7
69.07066	36.2
69.32543	6.8
69.32954	34.0
71.04980	8.2
73.84797	3.4
79.05064	6.4
79.05495	65.5
79.19149	3.4
81.07054	69.4
83.04983	84.4
83.08623	28.5
85.06535	4.5
91.04913	4.9
91.05478	91.0
93.07042	75.8
95.04955	18.0
95.08602	47.7
97.06521	7.7
97.10162	11.7
99.08037	5.1
105.07026	70.5
105.07691	5.8
107.04946	11.2
107.08598	32.8
109.06535	6.0
109.10175	10.3
111.04443	25.0
111.08057	9.1
115.05446	11.4
117.07016	50.4
119.08573	43.8
121.06509	12.4
121.10151	30.8
123.04448	4.5
123.08059	11.3
125.09618	7.8
128.06252	16.7
129.07013	56.2
131.08565	100.0
133.06514	8.4
133.10123	22.2
135.08055	10.0
135.11682	7.9
137.09648	5.0
139.11174	7.9
141.06981	20.5
142.07755	7.3
143.08569	42.9
145.06480	9.5
145.10107	25.1
147.08038	7.2
147.11642	7.0
149.09599	13.3
149.13213	4.2
151.11194	4.1
153.06914	4.5
155.08545	38.4
157.06297	3.1
157.10110	22.8
159.08035	7.2
159.11713	18.7
163.11185	6.1
166.07803	3.7
167.08546	12.0
168.09317	4.3
169.10103	19.3
171.08109	3.8
171.11673	16.1
173.09639	4.4
173.13321	6.8
175.09651	5.7
175.11214	4.0
175.14734	3.8
177.12805	5.0
181.10185	15.9
183.11685	11.4
185.13271	11.4
195.11650	17.5
197.13248	3.4
201.12762	4.5
207.11691	5.4
209.13187	10.8
211.14774	3.8
213.12726	4.6
221.13229	12.6
223.04205	3.6
223.14821	20.1
229.15918	4.4
231.13910	4.8
233.15372	11.4
236.21106	4.0
239.14342	11.5
241.15784	4.6
253.15924	6.5
257.15421	6.6
259.16812	4.1
267.17465	3.8
269.78763	4.1
271.16998	7.5
305.22812	4.6
309.07687	3.5
315.20981	3.6
323.23648	6.6
333.22110	12.9
341.24826	8.6
351.23141	32.4
369.24408	20.5
387.25314	28.4
404.99210	3.6
405.22333	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2635
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03939	8.9
55.01863	17.5
55.05506	49.3
56.78077	4.8
56.96568	5.3
57.03428	10.4
57.07073	9.4
61.02913	5.3
65.03934	5.1
67.05501	100.0
69.03432	27.6
69.07064	44.5
69.31437	44.7
71.04971	13.2
79.05490	77.2
81.03410	34.3
81.07055	98.1
83.04980	63.5
83.08619	12.5
84.08152	5.5
85.02898	15.4
85.06557	8.5
85.80798	4.4
91.05482	80.5
93.07040	93.5
94.69836	4.2
95.04965	28.7
95.08608	54.5
97.02898	16.1
97.06507	10.5
97.10114	6.5
99.04424	10.4
100.07631	9.0
105.07028	89.6
107.04941	13.3
107.08591	47.7
109.02863	7.7
109.06522	18.5
109.10149	21.1
111.04427	27.6
111.08092	6.7
115.05406	5.3
117.05581	5.2
117.07014	41.9
119.08573	61.8
121.06496	10.6
121.10123	34.6
123.04439	5.8
123.08054	14.9
123.11684	8.9
125.05982	6.9
125.09676	4.9
127.81084	4.1
128.06224	8.7
129.05490	6.1
129.07010	32.9
131.08563	64.3
133.06494	12.7
133.10141	44.6
135.08022	17.1
135.11705	20.7
136.08224	5.1
137.05898	4.7
137.09598	6.3
141.06998	10.5
142.07771	7.4
143.08574	33.2
145.06485	10.7
145.10130	45.7
147.08031	11.7
147.11667	34.9
149.09642	19.4
149.13258	11.2
155.08589	16.9
157.10083	25.4
159.08067	13.1
159.11685	39.4
161.09663	7.6
161.13271	18.5
163.11194	8.5
163.14714	5.8
167.08525	8.1
167.29362	4.7
168.09329	6.0
169.10139	12.3
171.08041	10.8
171.11723	18.0
173.09630	10.0
173.13232	24.7
175.11122	11.7
175.14767	10.9
179.14285	7.6
181.10086	7.7
183.11668	10.9
185.09700	8.1
185.13240	18.4
187.11214	10.8
187.14821	10.2
189.09052	5.3
189.12796	4.4
197.13281	7.1
199.14833	8.6
201.12840	7.1
211.14774	5.0
213.12723	8.5
215.14230	5.5
257.19012	5.7
259.20514	7.0
261.22159	4.6
271.20663	4.9
273.22144	8.2
275.19934	6.0
285.10059	9.0
285.22305	6.2
289.21634	9.2
291.23199	5.4
301.21637	16.4
303.23285	8.4
313.21518	7.7
315.23126	13.7
317.24527	5.9
319.22980	7.4
331.22726	12.1
341.24802	15.0
345.24136	6.2
349.16663	7.1
351.23151	14.6
359.25568	7.9
369.24271	55.9
385.13037	5.6
387.25256	41.4
405.26389	82.7
405.31030	9.4
405.35223	8.7
406.26370	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	405.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.4
55.05511	10.8
57.03438	6.3
57.07080	5.0
67.05508	6.7
69.03418	1.3
69.07068	13.1
70.21607	2.0
70.21999	2.3
71.08613	2.8
72.09458	1.1
79.05487	5.3
81.03417	1.4
81.07050	10.9
83.04975	1.3
83.08613	10.7
83.59736	1.0
91.05467	3.3
93.07047	8.7
94.98961	1.1
95.04948	1.1
95.08609	7.2
97.02880	1.0
97.06522	2.5
97.10172	7.8
105.07021	2.0
107.08604	4.9
109.10140	3.7
111.04395	1.2
111.08093	2.0
111.11711	3.1
113.00014	100.0
116.62846	1.1
116.63665	1.0
119.08582	1.8
121.10177	6.4
123.11727	1.5
125.09634	1.2
131.01025	1.7
131.08577	1.6
132.79716	1.0
133.10054	1.3
135.11708	4.5
137.13295	1.1
147.11696	1.7
149.13246	1.8
159.11804	1.7
169.02609	97.2
171.11746	1.1
215.56886	1.0
237.22078	8.3
238.70099	1.1
387.25244	1.1
405.26251	1.6
405.35489	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49475	2.0
53.03937	7.5
55.01860	6.4
55.05267	3.6
55.05511	37.7
56.96569	6.7
57.03432	8.2
57.07072	3.5
61.02913	2.3
61.27079	2.1
65.03925	4.7
65.44055	2.6
67.05503	70.7
69.03419	7.4
69.07069	25.4
71.05000	5.7
71.58907	2.0
71.59322	2.9
79.05491	52.3
81.03407	4.3
81.07054	65.3
83.04981	42.3
83.08613	9.6
84.08152	3.7
85.02898	3.5
85.06542	4.3
91.04903	3.6
91.05478	70.4
93.07040	67.2
95.04974	19.8
95.08610	43.0
97.02931	2.7
97.06524	8.2
97.10178	5.3
103.05440	3.7
105.04504	2.8
105.07022	59.7
107.04958	6.4
107.08597	36.6
109.06506	11.4
109.10148	14.7
111.04453	13.7
111.08069	6.3
115.05404	2.5
117.07033	24.0
119.08578	40.0
120.67937	2.0
121.06499	10.8
121.10133	24.9
123.04504	2.3
123.08065	5.4
123.11696	4.4
128.06171	5.2
129.05542	2.6
129.07016	18.1
131.08560	37.0
133.06480	4.2
133.10120	21.2
135.08073	8.7
135.11722	10.0
137.05989	3.2
137.09618	3.7
141.06995	7.3
142.07826	3.4
143.08582	16.2
145.06468	4.4
145.10112	22.9
146.99667	2.7
147.08046	6.6
147.11685	15.2
149.09612	8.3
149.13243	4.9
149.74364	2.4
153.14153	2.3
155.08575	10.8
157.10118	12.6
159.08153	3.0
159.11665	15.6
161.09592	4.7
161.13280	8.3
163.11232	5.1
167.08588	2.5
169.10132	8.6
171.11699	15.9
173.09706	4.7
173.13290	8.1
175.11206	5.2
175.14856	5.4
177.12791	3.7
181.10168	3.1
183.11690	5.9
185.13264	9.2
187.11168	4.5
187.14844	4.3
189.12744	5.3
191.10675	2.5
193.12271	2.9
195.11737	3.2
197.13260	7.1
199.11194	3.5
199.14819	2.8
201.12759	8.6
203.14281	3.8
211.14819	3.6
213.12859	2.7
215.14365	4.4
219.13797	2.8
221.13307	3.5
221.15373	4.3
229.15929	2.5
231.13943	2.1
233.15439	4.9
255.08885	2.6
257.10751	3.0
259.10938	2.7
267.21097	2.7
285.22165	8.8
295.20538	6.0
296.71722	2.1
303.23123	16.7
313.21588	30.6
331.22656	35.0
349.23764	5.6
369.24356	3.8
387.25580	3.7
405.22433	8.4
405.26471	100.0
405.35281	4.8
406.26828	5.1
422.07089	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.0
57.03433	1.1
57.07072	1.2
60.62095	0.9
61.37554	0.9
63.83781	1.0
67.05492	2.9
69.07056	3.6
70.36208	4.2
79.05474	2.5
81.07045	3.3
83.04967	4.2
83.08627	1.8
86.67362	0.9
91.05480	2.7
93.07034	4.7
95.08609	3.7
97.10230	1.0
98.20775	1.3
100.07632	0.9
105.07044	3.3
107.08594	3.6
109.10133	1.7
119.08593	4.3
121.06493	1.3
121.10116	3.4
123.08029	1.3
123.76982	0.9
131.08531	2.2
133.10123	3.9
135.08060	2.8
135.11696	1.7
145.10152	2.2
147.11633	1.0
149.09589	0.9
173.13219	1.1
179.14331	1.5
191.14360	2.2
204.36157	0.9
303.26813	3.5
307.15210	3.3
313.21811	1.3
331.18860	1.7
331.26306	17.2
335.14526	1.0
336.15381	1.3
387.21378	58.5
388.21814	4.7
405.22455	100.0
406.22736	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	405.2247
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
55.05497	1.4
56.96557	0.7
67.05486	0.4
69.90954	2.4
79.05489	0.7
81.03407	0.5
81.07053	1.1
83.04986	3.3
87.20885	0.4
91.05482	0.8
93.07049	1.3
95.08587	0.6
98.97561	1.3
100.07614	0.5
111.04445	1.2
115.01256	0.4
116.98611	1.2
119.08567	0.6
121.10165	0.8
133.10083	0.4
134.99599	0.8
137.05963	1.2
143.54834	0.4
153.00723	0.4
159.11647	0.5
253.03864	1.5
254.04227	1.5
387.21545	1.3
405.22467	100.0
406.22803	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	405.2247
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
53.03948	1.2
55.05512	10.9
57.03424	1.1
66.28116	0.6
67.05498	2.2
69.03408	2.5
70.04510	3.0
71.04978	0.9
79.05483	4.1
81.03412	1.0
81.07050	1.5
83.04982	44.8
84.08133	1.0
86.95289	0.6
91.05494	4.2
93.07050	13.1
95.04971	3.2
95.08581	1.1
97.02851	0.8
99.04463	1.7
105.07050	3.1
107.04966	0.9
107.08575	3.3
109.06554	0.9
111.04441	13.9
117.07021	1.3
119.08598	4.9
121.06467	1.2
121.10135	7.9
123.07991	0.7
129.05455	1.8
129.06993	0.9
131.08560	1.6
133.10202	1.0
143.08560	0.8
145.10136	1.4
147.08018	1.0
149.09563	3.2
155.08554	1.0
161.09624	1.4
172.12410	0.8
177.05550	0.8
185.09615	0.8
206.99763	0.7
211.33414	0.7
291.78632	0.7
405.22488	100.0
406.22729	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	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.5
62.37227	6.0
67.05495	11.1
67.32248	5.8
69.03413	6.1
69.07039	8.5
70.63937	21.4
72.08143	6.0
75.11831	5.9
79.05477	12.8
81.07053	11.3
83.04980	54.1
91.05506	9.5
93.07041	20.4
95.04980	10.1
95.08589	9.2
95.09617	5.8
97.02903	10.4
105.07012	18.3
107.08523	7.8
109.06541	5.9
109.10123	7.5
109.99325	5.7
111.04457	13.2
116.25452	5.6
117.07018	6.6
119.08543	7.2
121.06481	6.6
121.10159	10.7
123.08060	6.1
131.08627	10.6
184.07349	7.0
195.17387	5.4
206.66406	6.2
217.18565	5.8
257.29349	6.5
265.61282	7.2
317.81796	6.4
405.22488	100.0
405.30222	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	405.2245
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
53.03927	0.6
55.01855	0.6
55.05507	4.4
61.33133	0.4
67.05499	1.2
69.03426	0.8
70.12270	2.0
71.05000	0.4
79.05501	2.3
81.03419	0.5
81.07039	1.3
83.04977	18.8
84.08121	0.6
85.02905	0.5
91.05477	2.0
93.07040	5.2
95.04959	1.7
105.07026	1.9
107.08599	1.3
111.04443	6.0
119.08577	1.8
121.06534	0.5
121.10179	2.4
123.07996	0.4
129.05429	0.7
131.08614	0.9
133.10129	0.7
147.08038	0.9
149.09601	0.9
159.08073	0.4
161.09558	0.7
259.13272	0.5
331.19009	0.5
405.22467	100.0
406.22827	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	404.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86828	0.5
53.03933	0.7
55.05514	5.2
57.07053	0.5
57.71540	0.5
67.05177	0.7
67.05509	8.9
69.07076	6.4
71.59071	1.0
71.59483	0.6
79.05482	2.3
81.07056	9.0
83.08611	2.3
84.81136	0.5
85.05276	1.9
86.06053	1.0
91.05457	1.4
93.07039	1.9
95.08616	5.9
97.10133	0.8
98.06055	12.1
98.98450	0.7
105.07025	0.9
107.08620	0.7
109.10178	2.7
112.07603	1.2
119.08544	0.9
121.10168	0.7
128.24068	0.5
140.10730	0.9
142.02644	3.7
154.12292	0.7
190.52869	0.5
200.30595	0.7
202.42288	0.6
208.16922	0.6
306.27902	100.0
307.28146	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	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04313	12.4
55.05502	37.1
57.03410	13.7
57.31022	11.5
67.05502	34.8
69.03406	13.3
69.07067	12.7
69.52197	100.0
71.08610	11.7
73.24326	11.1
79.05487	39.6
81.07053	31.5
83.04984	81.3
83.08636	10.3
85.02908	12.3
86.80151	12.1
91.05476	30.9
93.07027	51.2
95.04956	18.2
95.08638	12.1
97.10213	14.5
99.08095	14.6
105.07002	13.5
105.85645	11.2
107.08552	25.8
111.04435	25.4
116.85017	11.8
119.08656	12.5
121.10152	21.6
125.09629	14.2
155.70291	12.2
268.18912	12.9
286.20120	14.0
351.25293	12.9
405.22418	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	93.1
57.03438	37.3
58.25347	13.5
58.70219	15.1
59.01435	13.9
67.05505	91.9
68.85267	12.8
69.07066	31.5
69.90701	43.2
69.91118	49.1
71.08617	58.2
71.40049	14.7
79.05492	81.0
81.03404	20.1
81.07055	100.0
83.04985	86.2
83.08613	34.9
90.09592	14.6
91.05493	42.8
93.07056	96.4
95.04937	22.9
95.08598	34.4
97.02895	16.6
97.10158	34.1
99.08109	28.4
105.07044	46.8
107.04915	17.7
107.08599	49.1
109.10126	27.5
117.07010	18.3
119.08598	33.6
121.10153	32.4
124.52797	14.4
125.09594	28.3
130.94919	13.2
131.08545	17.5
133.10141	24.3
149.13263	20.7
151.11186	19.4
159.11676	23.3
161.13290	25.7
173.11742	29.0
179.14378	26.8
189.11290	28.8
227.12794	44.8
253.18079	15.4
269.17572	46.8
277.21747	20.3
286.20181	59.7
351.25256	42.5
386.28909	19.3
405.22455	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	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08344	7.6
55.01868	12.3
57.03447	12.0
59.94170	8.1
60.04519	8.9
65.03956	14.2
66.41992	7.6
67.05505	13.6
69.03421	30.9
69.07038	9.5
70.06580	34.1
71.04997	13.6
71.58510	14.5
72.08162	23.9
77.23179	7.6
79.05496	38.6
81.03433	12.0
81.07070	22.9
84.04501	16.0
84.08119	16.8
85.02895	39.8
85.06567	14.8
86.09712	31.3
91.05480	43.5
91.21286	8.3
93.07014	46.0
95.04985	20.3
95.08603	17.7
97.02885	54.1
103.05460	10.8
105.07036	60.3
107.04971	18.2
107.08602	19.0
109.02892	15.2
109.06518	23.2
111.04456	9.0
117.06992	12.5
119.04948	14.6
119.08556	43.9
121.06545	20.6
121.10126	29.9
123.04404	41.5
123.08036	12.9
124.03954	12.0
125.05997	9.8
127.03934	10.6
131.08571	9.5
133.06528	17.6
136.06203	19.4
137.05988	15.2
137.09608	18.7
145.10136	20.3
146.05995	12.6
147.04431	16.0
147.08163	15.9
147.11707	78.7
149.09630	23.7
151.03908	9.8
151.07579	11.8
161.05942	8.9
163.07529	9.3
167.07043	97.7
177.05577	11.3
179.07030	13.5
181.04973	29.1
187.07632	10.2
189.12724	56.5
193.08635	20.7
207.13847	100.0
252.12225	9.1
404.22913	15.0
408.93411	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	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.05496	5.5
57.03433	3.5
67.05509	3.9
69.07087	2.9
70.06619	2.6
71.58430	3.5
79.05485	8.3
81.03411	3.9
81.07050	7.3
81.99545	1.7
82.97227	2.3
84.04504	12.3
84.08116	1.9
91.05490	11.5
92.56947	1.9
93.07027	7.7
95.04961	3.7
95.08624	3.6
95.48340	1.9
97.02866	5.7
101.57190	1.9
102.05540	4.8
103.05517	2.7
105.07005	7.9
107.04946	5.5
107.08610	3.1
109.02919	2.6
109.10128	2.8
109.86812	1.9
116.10720	2.5
117.07025	5.7
119.04915	4.3
119.08591	5.7
121.06474	3.4
121.10116	3.9
121.61672	2.0
123.04431	6.6
124.04787	4.2
129.06976	4.8
130.04996	6.0
131.04955	2.6
131.08566	8.7
133.06485	3.5
133.10172	4.5
136.06200	2.3
137.05951	2.5
139.03902	2.7
143.08583	2.9
145.06433	3.3
145.10115	7.7
147.04402	6.0
148.06044	6.5
151.03935	2.4
155.08545	2.4
159.11639	4.1
161.05995	3.4
167.07019	4.1
173.05913	3.3
175.03926	2.9
177.05515	4.0
181.04950	3.1
187.03947	2.3
187.11241	2.4
189.05466	3.6
207.06552	2.7
221.04465	4.8
233.08023	3.5
241.12318	2.9
255.06447	2.9
256.06863	4.4
257.18961	6.6
269.11679	4.2
287.12659	7.3
305.13870	2.9
315.12286	12.6
333.13293	100.0
333.17273	5.0
334.13580	4.9
351.14438	13.8
388.42230	3.3
404.04529	5.0
404.24243	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	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.2
55.01868	2.8
55.05495	2.2
57.03419	1.3
65.03931	1.4
67.05495	5.0
69.07066	2.8
70.06602	1.8
71.58372	2.1
79.05486	6.0
81.03391	1.7
81.07048	4.7
81.68729	0.9
84.04503	2.2
91.05483	8.1
93.07045	4.9
95.01339	1.6
95.04971	1.9
97.02885	2.0
97.06496	2.0
105.00061	2.6
105.03435	1.3
105.07021	4.5
107.04967	2.6
107.08618	1.7
109.02876	1.9
109.10161	1.5
116.10751	2.0
117.07016	2.3
119.04928	1.2
119.08598	3.1
121.10155	1.5
123.04433	2.3
129.06979	2.8
130.04955	1.6
131.04967	1.7
131.08568	1.7
133.06500	2.1
135.04408	3.2
136.06204	1.3
143.08543	2.2
145.06487	2.4
145.10133	2.6
147.04414	2.3
149.02325	2.0
151.03880	2.5
153.06859	1.6
157.06520	1.4
159.04492	1.3
159.07899	1.2
161.02283	1.3
161.05937	2.8
163.03918	2.3
165.05544	1.8
167.03363	1.6
167.07088	3.1
169.10132	2.4
171.04533	1.5
173.06044	1.9
175.03920	2.4
177.05482	1.6
181.04982	1.3
187.03864	2.4
189.05446	3.3
197.09697	1.5
199.11157	1.5
213.12764	1.2
217.04933	1.8
221.04492	4.5
233.08098	1.6
233.11693	2.5
241.12296	3.6
251.10516	2.1
255.06566	2.8
256.06882	4.9
259.13312	2.0
269.11740	4.0
287.12820	7.3
287.87173	1.3
297.11179	4.2
305.13815	3.0
315.12274	14.9
333.13309	100.0
334.13751	3.5
351.14383	16.8
369.15103	1.2
372.69928	1.3
404.23611	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	2.9
58.99586	17.5
60.04522	2.4
67.05482	2.7
69.03418	2.8
69.07057	5.5
70.06572	5.6
71.31400	3.3
72.08149	2.3
76.02229	100.0
76.04022	2.8
79.05492	9.0
81.04560	2.2
84.04509	40.3
84.08135	6.4
85.02894	3.3
86.09694	8.7
86.99044	4.3
97.06528	86.4
111.24259	1.5
112.08676	1.9
114.03739	1.7
116.01676	19.8
116.07130	1.6
123.04380	2.5
124.03959	1.7
129.10242	2.7
130.05009	26.1
135.04411	1.6
142.03215	9.2
144.01163	12.6
147.04372	1.7
154.05005	2.1
162.00970	3.1
162.02213	41.0
170.02705	3.3
179.04858	67.6
181.12831	1.5
187.05396	2.4
215.04869	3.3
216.26363	1.6
233.05914	20.9
242.15793	2.0
245.05977	4.6
291.06400	3.3
308.09116	19.1
352.10626	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05510	11.7
56.05027	1.5
57.03421	0.5
57.05804	1.6
58.40769	0.4
58.58025	0.5
60.04523	1.7
60.05642	0.7
63.40178	0.4
67.05504	0.8
69.03411	0.5
69.07071	1.8
70.02964	0.8
70.06596	6.5
71.57716	0.6
71.58076	0.5
72.08153	100.0
73.08498	0.8
74.06090	1.2
79.05508	0.6
81.07058	0.5
82.02917	0.6
82.06570	2.8
83.06093	0.6
84.04507	2.3
84.08139	5.0
85.02907	1.2
85.04035	1.3
85.08519	0.5
86.09702	40.8
88.03979	6.9
91.05476	2.5
92.05820	0.5
93.07063	0.9
97.02915	0.9
98.06104	0.6
100.07623	2.0
101.07163	1.8
107.04931	0.7
110.02431	1.0
110.07188	1.0
113.10806	0.8
114.10307	1.3
115.08633	0.5
116.07098	1.0
119.04951	0.8
119.08530	0.6
120.08146	0.7
121.06533	0.5
123.04425	0.9
127.05034	9.2
127.05889	0.7
127.10916	0.5
129.10228	4.7
131.12959	1.0
132.10199	18.5
133.02982	0.6
136.07585	0.7
137.05968	0.6
141.10269	2.2
143.11845	1.1
145.02901	0.6
145.06062	2.4
147.04395	2.4
147.08029	0.8
154.08656	0.7
157.09712	7.3
157.10880	0.7
157.13434	0.5
161.06053	0.8
166.08710	2.5
167.06961	0.7
171.14961	0.8
173.05579	3.8
173.12958	0.7
175.04013	0.5
177.05496	1.2
179.08589	0.8
183.11401	1.9
185.12987	0.7
187.10828	1.7
200.13966	1.6
201.12317	5.3
205.11765	0.5
207.08150	1.9
210.30373	0.5
212.09099	2.4
229.11853	2.9
233.11264	0.6
235.07616	2.2
239.07195	0.7
240.13503	1.5
246.11246	0.6
247.12871	17.7
248.13306	0.6
252.10185	2.2
258.14651	0.9
272.12390	15.7
272.15283	0.9
281.08252	0.8
286.14072	1.5
290.13553	1.1
291.15472	0.5
297.12299	0.6
298.10608	0.7
304.15082	4.4
310.31033	0.6
339.13602	1.4
357.14523	1.4
357.21545	1.4
385.20697	0.7
403.15579	1.4
403.21329	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	402.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	63.7
56.05028	13.4
56.37806	14.1
66.75227	14.9
67.05492	73.0
69.07068	100.0
70.10430	43.3
79.05481	58.7
81.07056	79.6
83.04955	15.6
83.08606	29.5
91.05466	47.2
93.07033	71.6
94.65157	14.6
95.04984	16.1
95.08594	55.9
95.61124	13.3
97.10152	46.9
105.07019	54.7
107.08577	61.4
109.10190	25.7
117.07018	21.9
119.08579	28.2
121.10133	27.7
125.09632	44.2
128.27751	15.5
131.08606	20.1
133.10143	26.9
138.12692	15.2
145.10153	16.3
147.11693	30.1
149.09669	15.9
149.13234	15.9
157.10130	16.0
159.11624	20.2
161.13275	12.7
167.02351	12.6
171.10155	19.5
189.11191	34.0
202.67711	14.0
227.12759	41.7
245.13887	36.3
255.15977	15.4
257.18805	16.6
269.17499	35.3
275.20053	49.2
286.20120	79.1
322.00037	14.3
349.23840	24.0
366.26376	30.9
384.27530	22.6
403.24606	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	401.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
54.42009	1.5
55.01854	2.2
55.05513	15.5
57.03424	4.4
57.07072	100.0
65.03906	1.6
67.05173	2.8
67.05501	32.7
69.03080	2.3
69.03427	27.5
69.07063	24.0
69.80856	10.9
71.04982	4.7
71.08231	3.8
71.08628	75.6
71.31169	1.6
73.02893	2.2
79.05479	3.1
81.03413	29.8
81.07053	47.5
83.08617	36.1
85.02900	32.5
85.06516	1.4
85.10178	44.2
91.05472	2.7
93.07023	3.2
95.08602	69.5
97.02887	17.4
97.10157	18.1
98.21432	1.8
99.04452	12.2
99.11736	3.0
109.02888	10.8
109.10145	35.6
111.11710	5.5
112.58289	1.8
119.08604	1.7
122.79243	1.5
123.11707	14.2
125.13298	3.8
127.03903	23.8
137.13251	8.6
139.14787	1.8
145.04930	7.9
151.14801	2.2
159.11655	2.1
174.89366	1.8
221.22523	2.5
226.98991	1.7
239.23676	37.0
257.24728	2.6
284.08383	2.0
383.28174	9.7
401.29059	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.05508	16.4
57.03430	6.0
57.07074	100.0
63.95111	1.1
65.06384	1.1
67.05502	38.9
69.02360	1.1
69.03088	2.1
69.03430	23.5
69.06723	1.7
69.07068	23.4
71.04977	4.5
71.08630	82.5
72.08953	1.1
73.02895	1.5
77.00093	1.3
79.05492	2.8
79.17814	1.2
81.03415	27.8
81.07051	49.0
83.08615	35.1
85.02901	29.5
85.10180	48.9
85.11331	1.2
85.92930	1.2
93.07002	3.4
95.08604	73.7
97.02890	18.9
97.10164	19.8
99.04450	12.5
99.08097	1.5
99.11729	3.6
103.05357	1.3
109.02882	12.4
109.10155	37.6
111.11702	5.1
119.08562	1.4
123.11692	16.0
125.13267	4.6
127.03915	21.5
137.13283	8.2
139.14790	2.2
141.39993	1.1
145.04979	7.4
151.14784	3.1
165.16331	1.8
221.15498	1.4
221.22581	2.9
239.23677	37.8
254.85858	1.3
257.24753	3.4
286.26816	1.4
288.26852	1.4
298.27527	1.7
339.34354	1.5
341.26733	2.2
383.27945	8.8
401.28610	2.5
401.38147	5.9
414.82904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
53.24371	5.9
55.01868	16.2
55.05510	83.2
56.05033	10.2
57.03425	17.5
67.05505	83.8
69.03419	10.2
69.07068	100.0
71.58681	9.5
79.05500	63.6
81.03429	7.6
81.07067	73.6
82.07367	5.9
83.04989	14.9
83.08622	40.9
91.05482	59.7
93.07028	49.2
95.08624	41.5
97.10168	77.5
105.07016	47.6
107.04985	10.0
107.08598	62.8
109.02838	6.4
109.10159	18.6
111.08080	9.5
117.07001	21.7
119.08570	21.4
121.10155	20.1
125.09622	60.0
131.08559	21.3
133.10132	23.6
135.08073	12.6
135.11725	8.0
138.12779	19.9
143.08591	5.8
145.10135	20.0
147.11664	17.8
149.09598	11.1
153.09239	7.3
155.08556	7.1
157.10222	6.3
159.11694	20.3
161.13257	8.6
163.11140	10.1
171.10153	15.5
171.11620	9.4
173.11667	6.4
173.13229	8.5
179.14201	13.4
189.11185	34.7
194.15422	9.5
227.12833	38.1
229.14311	15.7
245.13829	28.6
253.18042	16.9
257.18973	13.2
268.19049	31.3
269.17480	11.7
275.20135	55.1
286.20139	62.2
292.22635	8.2
304.26367	20.7
349.23538	28.8
366.26276	32.5
383.24072	5.8
384.27362	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	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57269	8.1
55.01864	8.7
55.05503	9.8
55.16223	7.2
55.46244	7.1
57.03417	9.3
61.02914	11.7
67.05501	18.7
68.99791	10.3
69.03413	29.3
69.07055	27.1
70.97528	17.8
70.97877	11.2
71.01345	7.2
71.04990	34.9
71.85155	7.0
72.08128	8.2
73.69592	8.0
79.05492	27.4
81.03412	31.3
81.05618	8.3
81.07073	36.9
83.04984	9.8
85.02916	49.3
86.09655	9.4
87.00818	29.2
91.05468	37.1
93.07041	29.9
95.04931	19.2
95.08601	21.3
97.02884	25.7
97.06547	9.4
98.96732	7.5
99.04458	13.0
105.01878	18.6
105.07044	38.6
107.04935	11.7
107.08582	28.9
109.02885	17.8
109.06519	100.0
109.10147	33.9
109.91232	7.8
115.03935	12.3
117.06969	12.4
117.25362	7.9
119.08605	37.5
121.06489	29.7
121.10151	24.9
123.04458	12.1
123.08051	10.6
123.11686	15.5
124.46313	7.8
125.05927	10.2
127.03912	21.8
127.11207	10.5
129.01833	15.8
131.08607	15.8
133.10159	10.0
135.11652	12.6
137.09604	20.5
143.08492	8.1
145.10120	15.7
147.08032	9.0
151.07553	9.9
151.11154	24.0
152.36984	7.6
155.08543	10.9
157.10097	9.1
159.08029	9.0
159.11703	10.0
163.11270	11.4
165.12724	12.2
167.07047	23.9
173.09622	24.3
177.12701	20.3
191.10672	17.7
195.13876	24.9
219.13724	10.7
237.14900	14.3
243.13721	17.0
261.14828	15.4
310.19089	7.9
315.08603	12.9
365.15698	9.4
383.15176	11.0
401.17862	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	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	13.9
55.01862	26.0
55.05500	23.9
56.93280	5.4
57.03417	12.5
57.07054	6.1
59.04993	8.7
60.50891	5.0
61.02903	7.6
67.05505	28.9
68.99786	20.5
69.03426	69.4
69.07069	51.2
69.97326	27.1
70.06586	31.1
70.06918	4.9
71.01338	6.0
71.04984	40.5
72.08150	15.7
73.02894	10.2
79.05493	42.1
81.03407	43.9
81.07059	51.9
81.71385	4.8
83.04967	24.3
83.08620	13.1
84.04510	7.3
84.08134	15.0
85.02500	5.4
85.02905	58.1
86.09707	46.6
87.00831	27.1
90.01864	5.3
91.05485	53.2
93.07048	51.2
95.04984	26.4
95.08620	27.8
97.02895	51.1
97.06526	9.2
98.20799	6.8
99.04429	16.9
99.08096	6.8
103.03925	8.9
103.05446	7.7
105.01857	18.8
105.07032	49.7
107.04928	25.8
107.08600	41.2
109.02880	28.2
109.06516	100.0
109.10152	40.6
111.04420	17.1
113.05989	6.3
115.03900	14.9
117.07030	17.0
118.28188	5.4
119.04935	14.5
119.08587	52.1
121.06533	32.7
121.10179	30.3
123.04421	22.5
123.08047	13.1
123.11674	24.1
125.06011	10.5
125.13264	11.3
127.03905	30.2
127.11150	13.2
128.06171	6.8
129.01799	16.0
129.06979	11.3
130.07767	6.7
131.08551	22.3
133.06546	10.5
133.10126	11.8
135.04382	8.1
135.07997	10.6
135.11700	18.2
137.06009	6.5
137.09605	15.0
137.13220	6.3
139.03874	21.1
139.11224	6.3
141.06895	6.2
143.08533	13.5
145.04938	7.4
145.06490	11.6
145.10124	29.0
147.02872	10.3
147.04395	26.5
147.08064	15.2
147.11710	9.4
149.09634	12.7
151.07513	7.9
151.11174	15.2
153.12762	7.9
155.08537	7.3
156.05760	5.8
157.06462	8.3
159.02892	12.7
159.11696	9.6
161.09506	8.1
163.07555	6.7
163.11143	16.4
165.09038	8.7
165.12747	20.2
167.07072	30.0
167.08304	6.4
173.09590	21.4
175.07495	10.8
177.12737	21.0
181.04971	18.2
189.03983	9.9
191.10699	9.0
195.13773	25.9
201.12778	7.5
207.13748	6.4
208.06886	10.4
217.08533	7.4
219.13818	9.8
232.44217	5.9
233.07999	10.4
237.14821	11.5
243.13770	18.5
261.14920	29.0
315.08636	8.7
330.11072	12.3
383.14990	12.6
401.18018	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	401.1592
Annotation	Arizonicanol C
Peak:m/z	Relative Intensity
53.03947	2.2
55.01874	10.7
55.05499	6.0
57.03431	2.9
64.05512	2.2
65.03928	7.7
67.05492	10.2
69.03427	4.1
70.06599	17.4
71.04995	3.0
71.57954	4.3
72.08154	9.2
73.02914	3.8
78.04719	4.3
79.05491	21.9
79.95940	1.9
81.03416	5.9
81.07062	12.9
84.04525	5.4
84.08136	9.6
85.02910	9.4
86.09708	21.7
89.03933	4.0
91.05482	17.6
93.07075	5.8
95.04976	18.8
95.08611	6.8
97.02896	2.7
97.06558	3.0
97.36537	2.0
103.05443	12.2
105.03389	3.7
105.07030	15.2
107.04955	34.1
107.08620	3.5
109.06516	5.7
109.10159	2.6
110.03622	2.2
111.04452	6.1
115.05457	10.1
116.06256	4.6
117.03362	2.7
117.07057	5.1
119.04969	2.9
119.08576	4.7
120.02006	2.2
120.08152	3.8
121.06489	10.5
121.10131	3.0
122.03690	3.5
123.04430	32.4
123.11729	3.2
124.05241	10.4
125.05987	7.3
128.06239	8.0
129.06999	13.9
129.10233	3.3
129.43855	2.4
131.04898	11.5
131.08560	16.0
132.05725	2.9
133.02835	3.3
133.06519	8.4
133.10066	2.5
135.04390	5.5
137.02354	3.8
137.06004	7.1
139.16368	2.5
141.06981	15.3
142.07791	3.7
144.05678	17.9
145.02867	4.8
145.06493	7.3
147.04382	5.7
147.07994	2.4
148.05116	2.2
149.05974	17.7
151.03934	12.9
151.07579	3.5
152.04683	3.4
153.05473	6.0
155.04871	3.4
155.07068	4.6
156.05727	9.9
157.06505	7.6
158.07239	2.9
159.04463	2.8
159.08049	28.9
159.09196	3.5
161.05965	11.8
163.03957	7.1
165.05495	4.3
167.07045	100.0
169.06528	4.1
170.07298	9.1
171.06606	2.7
171.08081	6.1
172.05222	3.8
173.06021	9.6
175.07545	6.1
175.11250	2.2
177.05455	39.6
177.06859	3.0
181.04985	37.3
181.08598	5.5
183.06534	9.5
187.07541	26.2
189.05467	7.1
189.07054	2.5
189.09160	2.9
191.07021	12.3
191.08505	4.9
192.07791	3.7
193.08643	13.1
195.06610	4.2
198.06796	3.3
199.07614	2.4
201.09120	2.5
202.06226	3.7
202.07834	3.1
203.06996	7.2
203.08676	3.4
204.07793	2.9
205.08633	14.1
207.06451	5.1
207.08238	3.7
208.05203	8.9
209.08047	3.9
210.06844	2.8
215.06949	4.5
216.07817	3.2
217.08530	31.5
217.10345	3.0
218.07249	6.5
218.09413	9.4
219.08093	15.2
219.10213	39.7
220.08861	5.6
221.06160	4.2
231.08044	12.2
231.10225	16.6
232.08954	2.9
233.09615	6.9
234.06784	5.6
235.07573	6.8
236.04547	2.5
236.08191	3.0
239.07008	3.0
245.09686	3.2
246.06804	4.0
247.07513	17.5
247.09735	30.5
248.08350	10.5
249.05481	3.2
249.09085	7.1
249.11334	3.1
259.07529	5.2
261.09274	7.2
262.06265	3.9
262.09921	4.0
263.07211	4.2
263.10648	10.5
264.07813	8.1
265.08664	7.0
267.06613	3.7
269.08215	6.1
271.09705	5.7
275.07077	5.3
276.07843	9.2
276.11520	2.4
277.05511	2.3
277.08588	10.2
278.09137	2.4
279.06641	2.9
279.10132	7.9
280.10876	3.9
282.08740	5.4
290.09344	6.0
291.10205	14.4
292.07474	5.1
293.08112	10.3
294.08875	4.0
295.09824	3.0
299.09131	3.7
305.08099	6.0
307.09668	14.0
308.10452	8.7
309.11298	6.0
310.08420	4.0
315.08646	25.8
319.09729	10.3
321.07709	2.9
321.11209	4.2
323.09344	4.3
323.12631	15.1
325.10654	3.9
328.09644	3.0
330.10953	29.3
331.11926	3.9
333.11398	3.4
336.10056	6.6
337.10666	16.1
338.11380	3.2
339.12421	6.9
341.10141	4.9
341.13956	5.2
343.11813	10.2
351.12335	27.5
352.12909	7.6
353.10141	5.2
357.09125	3.0
357.13364	9.2
368.12610	7.2
369.13351	22.0
369.23920	4.6
377.01862	4.5
383.14923	40.1
401.16037	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81841	3.1
66.85603	3.6
69.03426	4.7
70.06588	23.4
70.93395	9.9
72.08153	27.0
78.55085	3.4
79.05483	22.5
81.07038	3.6
84.04509	6.7
84.08143	11.0
85.02911	4.4
86.09714	33.4
91.05466	13.4
93.07004	4.2
95.04953	6.7
99.04397	4.2
103.05465	7.2
105.07076	5.6
107.04943	33.4
107.25726	3.4
112.07699	3.5
115.05444	4.5
117.07034	4.6
119.04914	5.0
121.06506	12.7
123.04399	5.0
124.05196	8.0
125.05960	3.8
128.06183	4.5
129.07016	10.1
129.10222	4.6
131.04869	7.9
131.08594	5.6
133.06488	5.3
141.07019	4.5
143.11711	3.7
144.05710	9.3
145.06479	7.5
147.04430	5.1
149.06001	7.0
151.03909	3.9
153.07216	3.5
154.08623	10.8
155.08675	3.7
156.05717	11.6
157.06529	6.0
159.08067	15.7
161.05943	7.0
163.07515	6.0
165.06972	3.9
167.07021	100.0
171.11346	4.1
172.05116	3.6
173.05960	7.5
177.05455	17.3
181.04953	8.4
184.05122	5.0
186.06758	3.9
187.07570	14.4
191.07024	20.7
193.08641	4.7
201.12531	4.0
202.07936	4.7
205.06789	5.2
205.08524	16.6
207.06429	9.0
207.08171	3.8
208.05135	16.6
209.08006	4.0
211.07550	5.4
217.08582	37.1
218.07294	5.3
219.08018	12.7
219.10054	4.9
220.08839	6.0
221.05920	9.7
223.07698	5.4
231.08081	9.1
233.09781	4.2
235.07578	6.3
236.04720	6.6
236.08392	6.7
238.06345	4.2
239.06987	5.6
241.08420	4.3
246.06825	3.4
247.07504	13.7
247.09705	21.8
248.08360	8.6
249.05429	6.7
249.09285	4.1
254.05806	9.7
255.06726	3.7
261.05585	4.4
261.09119	4.6
263.07016	6.3
263.10602	12.7
264.07751	7.2
265.08658	8.3
267.06543	9.2
269.08044	17.2
271.09598	5.8
272.06760	6.8
276.07846	10.1
277.08578	5.0
279.10187	9.8
281.07971	3.9
282.05640	4.4
282.08716	16.9
289.08624	4.5
290.09244	9.1
291.10178	15.6
292.07205	3.8
293.08020	5.1
299.09216	6.8
305.07993	4.5
307.09683	13.5
308.10651	5.4
310.08279	9.9
315.08624	59.3
318.08792	4.3
319.09601	6.8
320.06836	3.8
323.12848	18.4
328.09326	4.3
330.10962	74.9
331.11703	13.6
336.09921	9.7
339.12363	10.3
343.11758	25.0
351.12198	28.2
352.13330	6.4
353.10056	7.3
368.12500	10.1
369.13345	7.7
383.10306	4.5
383.14914	53.0
401.16147	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.8
53.33382	1.9
55.10213	1.7
59.42743	2.0
70.05115	2.1
70.05431	10.8
79.05486	16.4
81.07048	4.4
91.05479	4.7
95.04978	6.1
98.21375	2.3
103.05391	1.9
103.97846	1.8
107.04945	28.5
107.97486	1.9
107.99551	1.8
111.04495	2.1
115.05466	6.2
117.07008	4.6
123.04469	4.4
124.05190	4.2
125.05910	2.8
128.06258	2.9
129.07018	6.3
131.08572	8.8
132.05724	2.1
136.06154	3.7
137.02303	2.4
137.05940	2.6
141.07019	6.9
144.05702	7.5
145.06465	6.3
147.04520	2.1
152.04678	3.5
156.05733	11.6
157.06448	5.6
159.08046	12.0
161.05907	3.0
163.03963	4.1
165.06989	2.5
167.07039	100.0
173.05959	6.2
174.06729	2.4
177.05327	2.5
181.04906	3.6
181.08646	2.8
186.06737	4.1
187.07553	11.2
189.05426	2.9
191.07002	3.5
191.08585	3.4
193.06544	2.7
193.08586	3.7
195.06470	3.1
197.08200	3.3
201.09058	2.9
202.06157	4.6
202.07857	2.9
203.08611	3.0
205.06653	3.6
205.08604	12.4
207.06564	6.4
208.05229	20.6
209.05801	2.4
210.06767	2.7
215.08690	2.8
217.08601	27.7
218.07166	5.1
219.08055	12.0
219.10143	4.5
220.08844	4.8
221.05986	9.2
225.05586	2.7
229.08788	3.2
231.08189	11.1
231.10149	3.9
233.09665	6.0
235.07527	4.6
236.04716	9.2
236.08353	3.6
237.09045	2.3
239.07063	3.6
240.04195	2.9
241.04701	2.1
246.06773	4.5
247.07521	14.3
247.09698	18.2
248.08301	15.0
249.05357	3.8
249.09091	3.3
250.06216	2.1
254.05774	11.2
259.07553	4.4
260.08276	3.2
261.09171	5.3
262.06027	2.5
262.10056	4.9
263.07065	5.6
263.10568	11.7
264.07840	7.7
265.08542	7.2
266.05753	2.7
266.09085	2.7
267.06488	11.4
268.03461	2.8
269.08124	20.9
271.09616	9.4
273.08972	2.6
275.07016	6.9
276.07825	8.3
277.05197	2.1
277.08435	4.8
279.10196	12.7
281.08237	4.1
282.05466	4.7
282.08865	18.8
287.09262	2.8
289.08432	2.9
290.09314	6.3
291.10199	16.1
292.07401	3.8
293.08121	11.3
295.06131	2.3
299.08923	3.3
305.08145	4.2
307.09518	11.3
308.10349	7.4
310.08392	10.3
311.12683	2.2
315.05173	3.6
315.08591	58.0
316.09225	3.6
319.09634	9.4
321.07498	5.4
323.09171	3.6
323.12659	15.5
325.10553	3.1
328.09467	5.7
330.10974	75.7
331.11670	13.9
336.09622	3.9
337.10654	6.7
339.12213	6.7
341.10229	2.5
343.11774	23.2
351.12338	28.5
352.12964	3.2
353.10043	5.8
356.12567	3.0
357.09204	4.5
368.12448	6.8
369.13443	3.0
371.14618	2.7
383.14896	59.4
384.15408	3.1
401.11780	4.9
401.16046	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	401.1594
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03946	4.9
55.01862	3.8
59.84276	2.6
64.70803	2.5
65.03933	3.5
69.76351	5.2
69.76762	13.8
79.05498	22.1
81.07069	3.9
84.08152	4.3
86.09728	3.3
91.05490	8.7
95.04971	6.9
95.08605	5.0
106.04194	2.8
107.04956	37.7
107.08585	2.9
109.06509	2.9
110.93034	2.7
115.05473	5.9
117.07060	4.1
121.02844	4.2
123.04424	18.0
124.05257	7.5
125.05962	4.6
128.06213	5.3
129.07031	6.5
131.04968	3.4
131.08582	11.7
133.06557	3.3
137.06013	3.5
141.07039	5.0
144.05702	8.1
145.06494	8.6
147.04407	4.2
151.03928	6.0
152.04689	5.1
156.05750	10.5
157.06451	4.4
159.04485	3.4
159.08061	20.8
161.06024	5.9
163.03972	4.5
167.07047	100.0
167.08437	6.0
169.07639	3.5
170.07343	3.3
173.06024	5.0
173.09756	3.6
177.05545	4.7
179.06964	3.5
180.78380	3.1
181.05019	9.6
182.07219	3.0
184.05338	2.8
186.06747	2.5
187.07564	14.6
190.06195	3.4
191.07056	4.0
191.08629	3.5
193.06610	3.7
193.08479	4.6
195.06557	3.5
199.62383	2.7
202.06178	6.0
203.08588	4.5
205.08540	20.3
207.06456	3.9
207.08224	3.7
208.05252	20.2
211.07472	3.6
217.08549	31.3
218.07343	5.7
219.08040	17.0
219.10228	11.9
220.08751	4.7
221.06018	7.9
229.08681	4.5
231.08055	9.3
233.09644	7.0
234.06729	4.1
235.07513	4.6
236.04662	7.1
236.08257	4.3
237.09258	5.0
238.06128	6.0
239.06995	5.8
246.06552	3.1
247.07513	17.1
247.09717	25.7
248.08331	12.6
249.05449	3.8
249.09152	6.2
251.06979	3.4
254.05740	8.2
259.07458	5.1
261.09091	6.1
262.06284	3.6
262.09747	6.1
263.07007	5.5
263.10583	15.5
264.07721	6.1
265.08542	6.1
267.06549	10.0
269.08008	15.0
271.09763	10.4
272.07065	4.5
275.07028	8.4
276.07770	8.3
277.05481	2.7
277.08624	13.1
279.10129	12.7
282.05807	5.0
282.08862	20.2
290.09436	7.3
291.07230	3.4
291.09970	18.1
292.07248	5.9
293.08228	16.2
295.09555	3.2
299.05554	5.6
299.09079	5.9
300.06467	4.1
301.07108	4.9
303.08673	3.9
304.07144	3.8
307.09717	10.5
308.10406	9.9
309.11298	3.3
310.08423	12.0
311.05533	3.6
311.09351	3.1
311.12955	5.2
315.08591	63.2
319.09613	9.2
321.07608	6.5
322.08234	4.1
323.09457	3.8
323.12851	18.0
328.09360	5.9
330.10971	60.7
331.11517	13.5
336.09885	6.3
337.10638	9.7
339.12265	10.3
343.11765	23.8
351.12320	34.4
352.12769	3.2
353.10260	6.9
356.12421	3.2
357.13306	4.3
368.12555	12.0
369.13339	8.8
371.15060	3.8
383.14874	67.9
401.11331	3.4
401.16052	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	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.3
69.03412	1.8
69.28271	16.1
78.04688	2.6
79.05112	2.0
79.05502	16.6
81.07046	5.5
91.05484	8.6
95.04948	6.8
98.21575	2.6
105.07040	3.2
107.04952	33.2
109.06580	2.1
115.05440	5.4
116.06245	3.6
117.07011	2.7
121.06554	1.9
122.03671	2.4
123.04421	10.1
124.05206	6.5
125.05988	3.5
128.06206	3.2
129.07005	6.1
131.04919	2.5
131.08589	10.6
132.05717	1.8
133.06474	1.7
137.06044	1.8
141.07001	4.3
144.05695	7.4
145.06480	7.4
151.03918	1.6
152.04678	5.3
153.05432	2.0
156.05688	12.9
157.06395	3.2
158.07182	2.9
159.08081	16.1
161.05997	3.0
163.03929	3.6
167.07042	100.0
168.07416	2.0
169.06435	3.1
170.07224	2.9
172.05235	2.8
173.05948	4.7
174.06717	1.8
179.06970	3.4
181.05014	2.4
181.06494	2.3
181.08630	2.6
184.05154	3.9
186.06721	2.9
187.07458	10.4
189.05399	2.1
189.07033	3.1
190.06223	3.7
190.07790	3.4
191.06963	2.1
191.08569	2.6
193.06599	2.6
195.06552	4.5
201.09044	2.1
202.06210	7.1
202.07846	3.3
203.06941	2.4
203.08589	3.4
205.06686	3.2
205.08617	16.9
207.06564	7.1
208.05211	16.5
210.06772	4.0
215.06847	2.1
215.08687	3.5
217.08591	37.2
218.07272	3.1
219.08012	11.2
219.10204	6.3
220.08755	4.5
221.05957	7.7
221.09618	2.1
223.07593	2.0
229.08606	3.5
230.07178	3.3
231.08025	7.4
231.10081	3.2
232.08833	4.1
233.06079	1.8
233.09550	6.3
234.06717	2.9
235.07544	4.8
236.04684	7.6
236.08273	3.1
237.09081	3.5
238.06180	3.0
239.06918	4.0
240.04199	2.4
245.09587	4.0
246.06862	1.9
247.07544	15.9
247.09569	13.8
248.08316	14.2
249.05463	2.7
249.09044	5.2
250.06273	2.3
250.09842	2.0
254.05779	5.6
256.07327	2.2
259.07553	4.6
261.09222	3.7
262.06320	2.1
262.09863	6.2
263.07071	5.0
263.10718	9.4
264.07718	8.1
265.08603	6.9
267.06512	9.3
268.03824	2.6
269.08081	19.2
271.06418	1.8
271.09659	7.0
272.06860	2.1
275.07004	6.6
276.07834	8.7
277.08566	6.2
279.07108	1.6
279.10156	7.8
282.05630	3.4
282.08798	16.8
289.36441	1.8
290.09344	4.8
291.10208	13.9
292.07263	5.0
292.10675	2.3
293.08051	9.5
296.10330	2.8
297.07800	3.4
297.68045	2.0
299.09116	4.8
300.10132	1.9
301.07007	2.3
305.08133	3.6
305.11542	2.3
307.09576	9.2
308.10339	8.1
309.11057	3.1
310.08276	8.4
311.12589	2.3
311.91928	1.9
315.05505	2.0
315.08597	54.8
316.09140	2.2
319.09656	6.8
320.10114	2.7
321.07516	4.0
323.12817	12.8
325.10550	3.2
328.09378	4.8
330.10944	57.9
331.11801	12.1
336.09894	4.0
337.10623	6.1
339.08542	2.5
339.12366	9.1
343.11740	22.7
351.12299	23.7
352.12753	4.0
353.10107	6.6
356.12488	2.9
357.13370	2.3
368.12662	8.8
369.13333	4.4
371.14859	2.4
383.14874	59.4
384.15259	2.6
401.15860	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01871	2.0
69.53451	11.2
69.53870	3.7
69.66820	1.6
70.06600	2.6
72.08138	1.8
78.04704	2.2
79.05492	17.8
79.45433	1.7
80.35330	1.7
80.89817	1.8
81.03425	2.9
81.07058	3.9
86.09701	3.8
91.05482	6.5
95.04975	7.2
97.02905	3.0
98.20809	3.3
98.80415	1.7
103.05470	1.8
105.07016	2.7
106.04163	1.8
107.04947	33.8
109.06530	2.7
115.05447	4.1
116.06227	2.8
117.07034	4.6
119.04999	2.0
121.06467	2.9
123.04432	13.3
124.05220	4.3
125.05975	3.7
128.06221	3.2
129.07010	5.5
131.08540	9.7
133.06514	3.1
135.04405	2.0
137.05956	3.1
141.07033	5.4
144.05702	6.8
145.06511	6.2
147.04405	2.7
151.03813	2.8
152.04626	3.8
153.05473	2.0
156.05698	17.9
157.06514	5.9
158.07277	2.3
159.08052	16.4
161.06004	2.8
163.03929	4.1
165.06949	3.8
167.07027	100.0
169.06393	3.8
172.05220	2.0
172.30751	1.7
173.06003	5.3
175.07539	2.3
177.05495	3.2
179.07054	3.8
181.05013	1.8
181.08667	3.1
184.05191	4.3
186.06781	3.4
187.07532	12.9
190.06252	2.7
190.07823	2.0
191.07031	2.7
191.08617	5.4
193.08539	4.0
195.06468	2.8
198.06851	2.1
202.06258	5.0
203.06868	1.8
203.08629	2.5
205.08571	14.8
207.06525	7.3
207.08263	2.3
207.10133	2.0
208.05174	24.3
208.08774	2.1
210.06793	4.0
211.07478	2.7
215.06918	3.7
217.08553	29.0
218.07242	5.1
219.08063	12.2
219.09964	3.4
220.08815	6.9
221.05978	6.8
225.05348	3.7
229.08632	5.5
230.07404	2.5
231.08043	10.6
231.10103	3.5
232.08781	4.4
233.05957	3.3
233.09669	5.3
235.07533	4.6
236.04669	7.0
236.08333	4.7
238.06250	3.5
239.06960	3.8
240.04117	4.0
245.09677	2.9
246.06737	2.4
247.07471	14.8
247.09698	22.6
248.08348	11.3
249.05521	2.3
249.09004	3.0
250.06303	2.5
251.10696	3.3
253.05089	2.4
253.08517	1.9
254.05725	6.7
255.06317	2.6
257.04446	2.3
259.07562	5.3
260.08267	2.5
261.09195	5.7
262.09937	4.4
263.07089	5.1
263.10632	10.9
264.07867	5.8
265.08621	7.7
266.05719	4.0
267.06497	11.5
268.03827	2.5
269.08029	22.5
271.09671	7.5
272.06821	6.2
275.07025	10.2
276.07724	8.4
277.08630	5.4
279.06628	2.3
279.10114	6.8
281.08163	2.5
282.05630	3.3
282.08804	20.5
283.05728	2.2
285.07700	2.5
287.09192	2.6
290.09451	3.9
291.10114	16.8
292.07266	3.7
292.10666	2.3
293.08090	10.3
293.11063	2.0
293.83554	1.7
295.09396	2.6
299.09137	4.6
301.07056	4.0
305.08154	3.0
305.11514	2.7
306.08823	2.4
307.09698	8.4
308.10385	7.1
309.07880	2.3
310.08286	9.6
315.08585	60.9
319.09720	10.6
321.07574	4.1
321.11282	2.1
322.08600	2.4
323.12808	18.6
325.10831	3.8
328.09332	4.7
330.10928	71.5
331.11432	10.1
336.09903	7.5
337.10681	7.7
339.12247	8.4
343.11737	22.2
351.12219	23.9
352.12787	3.3
353.10101	8.1
356.12317	4.4
357.13385	3.2
368.12677	9.0
369.13339	3.8
371.14865	6.7
383.10303	4.4
383.14920	64.3
384.15497	2.0
401.16266	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	400.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22675	0.5
67.83452	0.5
69.03419	0.9
70.06555	0.7
70.80282	0.4
70.98026	1.4
77.37414	0.4
84.44140	0.4
85.02897	2.1
89.03895	2.6
91.05468	0.6
97.02897	1.0
103.05457	0.8
110.84781	0.5
117.03371	10.1
128.51128	0.5
129.74515	0.5
131.04942	0.7
132.05234	0.7
135.04375	1.0
145.02843	41.9
149.05965	3.4
177.05461	100.0
178.05771	1.8
184.07318	1.1
238.10721	29.9
354.80890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	9.9
58.87921	5.5
66.92999	4.5
69.30848	60.9
71.95250	5.8
97.21593	4.9
98.97594	47.0
116.98616	65.7
119.01981	5.1
134.99644	72.7
152.02419	4.9
153.00700	12.1
162.21747	5.5
165.22633	5.6
168.49390	5.5
177.00980	9.6
180.35373	5.3
206.92393	5.2
219.02051	15.2
221.01967	8.1
227.73820	5.3
234.99971	17.0
236.99806	26.1
252.84837	5.5
253.01117	6.3
255.00769	15.0
258.99826	46.6
260.00143	12.7
260.99838	23.4
261.03079	26.9
262.00021	11.4
263.02975	19.1
274.97485	44.5
275.97971	9.3
276.97598	31.6
277.00937	81.0
278.01077	19.8
279.00894	52.9
280.00818	9.5
281.00790	6.1
282.97192	8.1
282.99933	39.1
284.99826	40.9
285.99966	11.0
292.98523	43.2
293.99173	6.7
294.98663	12.7
298.97925	7.7
300.97665	14.5
301.00946	83.5
302.01202	20.9
303.00842	100.0
304.01096	22.0
316.98898	7.7
317.98926	8.3
318.98557	54.7
319.01645	6.3
321.02087	7.6
324.02539	9.0
359.01941	10.3
376.98676	27.2
401.01770	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	400.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43989	0.2
58.73719	0.2
60.51208	0.2
61.14235	0.2
70.06587	0.3
70.84245	0.2
71.02518	0.5
84.08154	0.4
85.02899	0.4
89.03903	3.3
91.05460	0.3
96.39857	0.2
106.04134	0.2
117.03374	11.9
134.03615	0.7
135.04407	0.6
145.02837	43.2
146.03206	0.5
149.05980	5.2
163.03900	0.4
177.05457	100.0
178.05788	2.0
181.04959	0.2
186.05428	0.6
204.06560	0.3
238.10732	20.9
239.11076	0.2
289.60486	0.2
310.27917	0.3
387.14056	0.3
400.15848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97321	1.2
70.97639	2.7
74.53382	1.0
85.02912	3.8
89.03941	3.6
117.03371	9.5
141.96902	1.2
145.02849	38.4
149.06006	4.6
177.05472	100.0
178.05859	1.7
204.17952	1.1
205.75853	1.5
217.49455	1.2
238.10739	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	400.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.8
65.03926	2.9
66.38237	0.6
70.06593	4.9
71.58199	1.3
72.08131	1.3
73.02909	0.7
77.03919	1.1
79.05487	1.3
79.05945	0.7
81.07038	1.3
84.04506	0.9
84.08142	5.4
85.02899	1.0
86.09675	2.9
89.03885	1.0
91.05476	35.9
93.07044	3.4
95.04964	1.7
97.02885	7.1
98.09685	1.4
100.07585	3.1
100.11234	1.0
103.05463	0.7
105.00094	0.9
105.03392	1.3
105.07016	1.1
107.04891	0.9
110.07133	0.8
111.04450	1.1
112.11254	1.2
115.45212	0.7
118.04166	1.3
119.04932	39.5
119.08589	0.7
121.06533	0.7
121.10130	3.8
122.10469	2.8
129.03357	0.6
129.13931	0.7
132.02060	2.6
135.04373	0.8
136.05182	0.9
137.05965	1.0
145.02837	1.6
146.03618	1.0
146.97450	0.6
147.04404	32.5
149.02341	2.0
149.09596	1.4
157.03970	3.1
162.03181	1.0
164.04689	1.2
167.07063	1.3
169.13377	0.8
175.03902	55.8
177.05464	1.1
179.06993	3.1
179.82039	0.7
182.15456	1.9
207.06520	100.0
208.06891	1.3
210.14893	2.6
220.05896	0.9
293.08240	0.8
315.08734	0.8
399.36966	3.5
400.37408	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01851	1.5
55.05512	4.4
57.03440	14.3
61.02924	2.0
64.82556	1.4
66.68386	1.4
67.05499	3.0
69.03419	5.5
69.07069	2.2
70.06586	9.2
71.01354	11.6
71.57327	2.9
72.08141	2.7
73.02924	12.6
75.04464	3.1
77.27036	1.7
79.05491	15.1
81.03411	2.0
81.07056	3.0
84.08132	5.9
85.02897	26.6
86.09690	6.6
91.05482	17.8
93.07040	56.6
95.01320	5.2
95.04985	8.5
95.08630	3.7
97.02892	11.2
100.07595	4.8
101.02412	2.6
103.03959	5.2
103.05458	9.3
105.03406	3.7
105.07030	12.1
107.04926	2.5
107.08590	3.7
113.02351	7.0
119.04940	4.4
119.08579	5.7
121.06557	3.0
121.10141	100.0
123.08051	3.3
131.03426	3.8
131.04918	9.0
131.08585	6.3
133.10127	2.5
139.03911	2.5
141.01828	9.5
145.10085	2.2
147.04393	3.8
149.05975	21.3
149.09619	27.0
159.02884	2.7
163.11172	2.1
167.10576	2.9
175.03946	5.8
177.05434	2.2
207.06490	7.9
223.09492	2.4
223.13371	6.6
399.16760	15.9
399.36935	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	399.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01851	2.1
55.05506	3.0
57.03437	11.2
58.57219	1.2
67.05496	2.7
68.87826	1.2
69.03427	6.2
69.27214	14.8
69.27534	1.2
70.06588	13.9
71.01364	9.7
73.02916	12.8
75.04475	4.3
76.99628	1.5
79.05494	16.1
81.03417	2.1
81.07052	3.8
83.01337	2.8
84.04533	1.2
84.08128	4.3
85.02425	2.0
85.02900	23.1
86.09694	5.4
86.73490	1.3
91.05474	22.6
93.07043	59.5
95.01315	6.6
95.04960	6.4
95.08584	3.5
97.02862	7.5
97.34087	1.4
98.09692	2.2
99.00848	1.8
99.04430	1.8
100.07607	2.6
101.02352	4.9
103.03936	5.3
104.87678	1.5
105.07022	14.0
107.04964	2.1
107.08566	3.9
108.43618	1.2
109.06516	1.3
113.02347	8.2
116.07093	4.5
119.04938	9.9
119.08585	10.4
121.06481	3.3
121.10142	100.0
123.00778	1.9
123.04420	1.5
123.08072	2.5
130.06512	4.3
131.03386	6.8
131.08571	8.3
132.08055	1.7
133.10158	3.2
135.04428	1.4
141.01854	11.3
142.76633	1.4
143.06947	1.6
145.06483	1.5
145.10106	2.6
147.04381	8.7
147.11702	1.5
149.09624	33.4
157.03940	2.0
159.02922	1.8
159.09172	4.1
161.09630	1.8
163.03770	1.7
163.11299	1.5
167.10712	4.1
170.05975	3.3
173.09659	1.8
175.03912	11.4
207.06523	21.8
213.12335	5.6
223.13226	7.0
250.09409	1.7
256.14420	1.7
263.49792	1.2
279.12436	1.7
284.13785	1.5
307.11816	1.7
343.45215	1.3
355.07892	3.5
382.17502	2.1
399.16412	16.8
399.20868	1.5
399.36868	2.4
411.42340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01856	2.1
55.05503	1.6
57.03445	7.8
61.02921	1.5
61.61316	1.1
69.03417	5.6
70.06596	9.8
70.91312	1.3
70.91634	2.9
71.01357	7.7
73.02921	11.1
75.04462	1.8
79.05494	10.8
81.03414	1.8
81.07047	5.3
83.64859	1.0
84.08140	4.2
85.02905	20.0
86.09706	1.8
87.04455	1.5
90.50253	1.1
91.05480	18.0
93.07040	50.0
95.01319	4.2
95.04951	5.0
95.08589	2.1
97.02884	7.4
98.09711	1.7
100.07606	3.3
101.02375	4.8
103.03938	3.4
103.05466	1.1
105.07012	13.0
107.08596	3.8
109.06463	1.3
109.10124	1.3
111.04449	2.2
111.08136	1.2
112.11244	2.1
113.02364	7.5
114.31062	1.1
116.07102	1.4
119.04950	7.0
119.08566	7.7
121.02870	1.9
121.06531	2.8
121.10139	100.0
122.10448	2.0
123.04397	1.5
123.08099	2.1
126.54483	1.1
130.06470	1.6
131.03397	4.5
131.08565	4.3
133.10130	2.7
136.06046	1.2
137.05956	1.6
141.01830	10.2
143.08548	1.5
145.10196	1.7
147.04395	5.2
149.09622	28.4
151.11206	1.4
159.02917	3.2
159.09160	1.7
163.11185	1.6
167.06914	1.4
167.10667	3.7
170.05962	1.4
175.03886	8.9
207.06496	14.6
213.12325	2.0
222.07828	1.3
223.13344	5.1
231.02776	2.2
243.28549	1.3
249.03687	1.3
261.11325	2.1
264.09109	1.3
399.16516	16.2
399.36761	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	398.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31827	0.6
55.05495	1.6
56.05033	3.4
56.38712	0.6
57.07076	10.5
62.58584	0.7
67.05505	3.4
68.05022	2.3
69.07056	1.7
70.06590	58.0
70.59768	0.6
71.08626	5.7
72.08143	0.8
79.05457	1.1
81.07043	3.6
83.08598	2.5
85.10176	3.9
86.05583	1.0
86.06067	11.2
93.07039	0.7
95.08607	4.2
96.08105	2.3
97.10152	1.6
97.18575	0.7
98.05995	0.8
109.10130	2.1
114.05531	26.6
114.09164	32.0
142.08630	64.8
160.09688	100.0
161.10005	1.0
162.45509	0.7
285.10101	0.9
297.27887	10.0
352.32040	2.5
363.67725	0.7
398.32635	91.1
399.32968	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	399.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06130	1.1
61.01138	0.9
70.85383	0.9
70.85721	1.9
73.96873	0.9
94.93016	8.3
96.69849	1.0
97.02896	4.3
98.14389	1.0
102.05583	1.2
115.88692	1.0
120.94547	1.1
136.06178	4.5
136.94051	7.4
138.95598	1.6
155.36122	1.0
160.94061	1.7
188.93607	0.9
192.93059	5.2
192.94563	0.9
228.05673	1.6
234.94041	1.5
243.45009	0.9
250.09315	3.3
250.97293	2.5
294.96176	100.0
295.96561	2.9
323.40591	1.0
380.99832	6.1
399.00909	47.1
400.01318	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
55.05481	0.9
55.69056	0.5
56.05023	2.0
69.03414	1.7
70.06584	4.1
71.08616	0.6
71.57075	0.8
72.08150	1.6
74.06070	0.9
84.04475	0.7
84.08135	2.3
85.02900	1.4
86.21668	0.8
97.02886	8.6
98.06053	1.5
100.07610	0.9
102.05529	2.7
109.02898	0.9
110.07155	1.4
114.10278	0.9
115.08675	1.3
127.08633	0.9
127.14944	0.6
129.05478	0.6
129.10283	0.8
131.04941	0.8
136.06178	11.6
138.40981	0.6
147.04417	1.3
152.07034	0.9
154.08633	1.0
157.10854	1.2
177.05438	1.1
183.05746	0.6
186.70793	0.7
199.40700	0.6
201.38408	0.6
207.04713	0.9
207.59978	0.6
213.00565	0.7
218.08459	0.8
242.26553	0.7
250.09340	9.0
277.13339	2.1
277.16492	0.9
297.03333	0.6
298.09790	1.3
351.10339	0.6
399.12616	100.0
399.16592	3.8
400.12900	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2689
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03928	1.5
55.01861	1.2
55.05505	2.9
57.03421	1.0
57.07061	1.6
62.30291	0.6
65.03931	0.5
66.16183	0.6
67.05505	4.3
68.05026	3.7
68.99777	0.7
69.03421	2.0
69.07053	4.1
69.46770	1.8
69.47201	3.4
70.06589	18.5
71.04996	1.0
72.08125	0.8
79.05493	8.6
80.05018	1.0
81.07056	6.5
82.06578	0.6
83.08611	1.6
84.08131	2.0
85.02893	1.0
85.06528	1.1
86.09689	0.8
91.05479	9.9
92.01364	0.5
93.07042	10.1
94.06550	2.2
95.04954	4.5
95.08604	5.6
96.08131	3.8
97.02877	1.0
97.06518	5.3
97.10154	0.5
98.06045	1.5
98.21084	2.4
100.07615	5.9
103.05454	3.1
105.07021	14.1
106.06557	1.2
107.08588	8.9
108.08112	2.3
109.06498	0.8
109.10133	2.8
114.05526	6.9
114.09171	0.8
115.05419	1.2
116.06357	0.7
116.07095	8.3
117.07010	5.4
118.06546	0.6
119.08575	19.0
120.08086	4.8
121.10139	5.1
122.09641	3.5
127.03927	0.7
128.06255	1.4
128.07077	6.2
129.06992	2.7
130.07793	1.4
131.04918	4.2
131.08563	9.5
132.08035	0.6
133.09036	1.1
133.10126	8.3
134.09685	1.5
135.08063	2.0
135.11659	1.0
136.06209	0.7
136.11201	2.2
137.02327	0.9
137.05978	0.8
141.06941	1.0
142.07755	1.8
143.08563	5.3
144.09322	1.2
145.09030	0.4
145.10115	11.8
146.09650	2.2
147.08087	0.7
147.10515	0.9
147.11668	2.9
148.11205	6.6
149.12045	1.1
149.13246	0.9
150.12756	1.3
151.06259	2.4
153.01826	3.5
154.08681	2.6
155.08505	2.7
156.09355	2.1
157.10109	7.4
158.09573	0.7
158.10844	1.3
159.11656	3.7
160.11258	1.3
161.05884	0.7
161.09616	1.4
161.13203	1.0
162.12762	0.7
163.07573	2.2
164.07117	1.1
165.01843	0.9
166.08696	1.8
167.08504	0.9
168.10210	24.8
169.10100	3.4
170.10861	1.1
171.11678	3.1
173.05965	0.9
173.13245	5.8
174.12779	0.7
175.14833	3.0
178.08627	6.2
179.08467	1.1
181.10078	2.1
183.11708	4.1
184.11176	0.8
184.12631	0.6
185.13245	1.9
186.12726	0.7
187.04076	0.7
187.14886	1.6
189.05452	1.1
192.10245	3.8
194.11807	13.4
195.11720	1.9
197.13297	1.6
199.14822	2.5
201.05414	0.6
204.10118	0.6
206.11711	1.5
209.13319	3.5
211.14853	1.4
212.14391	0.9
213.19627	0.6
217.04939	4.2
222.14783	0.6
223.14876	0.9
229.04971	2.1
232.13289	0.8
234.14937	2.1
235.14856	1.1
245.04454	3.4
246.14854	0.8
257.04510	1.8
258.14914	1.1
260.16437	4.2
265.19589	1.6
267.21347	0.7
269.04474	1.4
273.03860	4.4
285.03891	2.6
293.01755	0.7
299.05548	5.0
301.03436	7.6
302.04312	1.2
303.05026	3.3
306.20645	3.9
312.19537	0.8
313.03427	16.4
325.06992	1.0
326.04102	1.0
327.08676	0.8
341.72540	0.6
342.20441	0.8
354.62930	0.6
355.08127	11.6
380.15460	0.7
380.25842	10.0
398.26898	100.0
399.10730	46.2
399.27252	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
57.03440	1.9
59.51708	1.4
65.03928	1.7
67.05515	2.3
69.07047	1.2
69.46617	3.2
69.47028	10.6
70.06587	20.4
72.08138	2.0
79.05494	4.4
81.07047	2.0
84.04520	1.8
84.08150	11.6
84.26437	1.3
85.02919	1.4
86.09701	4.1
91.05486	10.7
93.07040	2.3
94.04184	2.7
95.04993	1.7
97.06541	1.6
100.07613	2.2
103.05453	3.5
105.07047	3.1
107.04955	4.0
109.06519	2.3
112.11231	1.7
115.05435	2.8
117.07090	1.6
118.06866	4.0
119.04896	6.6
120.08052	1.9
121.06492	1.5
122.03632	6.8
128.06232	4.3
129.07030	8.2
129.10207	2.8
131.04915	2.6
131.08566	4.8
133.02834	2.4
133.06477	1.9
133.10158	2.3
136.06189	2.3
137.05977	100.0
141.07007	4.3
142.07819	2.5
143.08528	2.9
144.05640	3.4
145.06490	2.1
145.10136	1.5
147.04395	5.1
147.08049	2.4
149.05960	4.4
151.07536	8.9
153.06970	3.5
154.07811	1.9
155.08540	5.6
157.06479	4.5
157.10164	2.4
158.07262	4.3
159.08014	6.8
160.05309	1.7
161.05994	12.0
161.09602	1.8
162.04129	3.1
163.07530	3.0
165.07030	7.4
167.08537	3.2
168.05714	2.0
169.06461	4.2
170.07269	3.5
171.08034	5.6
172.05186	2.9
172.08852	5.1
173.09615	3.9
175.07553	6.1
181.06482	4.1
182.07266	8.0
183.08066	6.4
184.05157	2.9
184.08827	3.4
185.05991	2.5
185.09601	14.9
186.06775	1.5
187.07544	6.0
187.11203	1.8
189.09079	3.6
189.12816	1.8
191.07053	5.3
193.06650	2.3
194.07216	3.3
195.08060	3.9
197.06044	2.1
197.09583	8.9
198.06754	22.3
199.07497	13.0
199.11157	2.3
200.08340	4.4
201.09120	4.3
203.08644	2.0
209.09634	2.8
210.06725	4.6
211.07515	4.1
212.08359	3.1
213.09126	23.5
215.08870	1.5
215.10664	8.2
217.08484	3.2
217.10336	2.3
218.07367	1.8
219.08095	2.2
224.08366	1.8
225.09081	14.9
229.10260	2.1
231.08076	2.5
232.08817	1.7
235.07634	1.9
242.09389	2.6
243.07965	1.6
243.10150	21.3
245.09711	3.1
245.11815	3.3
247.07568	3.0
248.08319	2.2
255.10204	8.4
257.09631	2.1
258.10446	1.7
259.07608	3.8
259.11053	1.7
260.08344	2.3
261.09042	5.6
263.10648	1.6
264.07767	2.2
271.07599	3.2
272.08078	1.8
272.95526	1.5
273.11267	77.9
274.09641	1.7
275.10748	4.5
276.07901	2.3
277.08652	4.5
277.12155	2.6
278.09589	2.6
278.12466	3.7
281.08081	2.1
283.09872	1.9
285.09109	3.6
287.07272	2.2
287.10617	2.0
288.07849	1.7
289.08746	3.0
289.12198	3.0
290.09344	2.5
291.10175	6.8
293.08154	2.1
293.11801	3.0
301.08725	3.1
301.12009	2.1
302.09396	2.2
303.09909	7.5
305.08194	2.5
305.11758	3.8
306.08942	3.1
307.09818	10.6
308.10416	4.1
315.10049	2.1
317.11642	4.2
319.09622	3.7
319.13272	3.3
320.10342	3.5
321.11212	7.4
325.10767	3.3
333.11282	3.0
334.11966	2.7
334.42941	1.5
335.12759	5.3
339.12015	2.2
347.12848	2.7
349.14182	7.8
351.12421	7.8
353.13803	4.4
354.14667	12.7
367.15347	4.3
374.97983	4.5
379.15448	10.5
388.95706	3.1
391.99228	2.5
392.98892	6.3
397.16449	80.6
397.35217	2.6
397.99521	1.9
398.16895	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	397.1646
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
51.89618	1.0
55.01865	2.4
55.05499	3.7
57.03414	2.8
67.05496	4.1
69.03416	2.6
69.07059	3.0
70.06593	6.8
70.83883	2.8
71.04972	1.8
71.52437	1.3
72.08140	2.8
79.05488	4.6
81.03410	2.3
81.07030	6.3
83.04980	1.7
84.04510	1.9
84.08144	7.6
85.02882	2.6
86.09672	1.2
91.05487	15.6
93.07011	5.8
94.04180	5.1
95.04960	3.7
95.08594	3.9
97.02886	1.7
98.09674	2.9
98.21442	1.3
100.07591	5.4
103.05462	4.4
105.07029	5.8
107.04942	3.6
107.08582	3.0
109.06519	3.5
111.97343	1.1
112.11248	1.6
115.05444	3.9
117.07024	2.7
119.04934	7.6
119.08605	1.9
120.08095	1.8
121.10165	2.4
122.03635	8.0
123.11711	1.3
125.05920	1.4
127.03925	1.9
128.06198	5.0
129.07016	8.0
131.04922	5.1
131.08578	6.5
133.06499	1.9
133.10100	3.0
136.06140	2.5
137.05968	100.0
141.06972	3.8
142.07687	1.6
143.08533	3.8
144.05669	3.4
144.07973	1.5
145.06447	3.0
145.10104	1.6
146.06010	1.9
146.07176	1.3
147.04362	5.5
147.08020	2.1
147.11711	1.4
149.05965	5.2
149.09404	1.1
151.03894	1.9
151.07553	12.3
152.06172	1.6
153.07011	1.6
154.07724	2.3
155.07404	1.2
155.08504	6.3
156.05681	1.7
157.06459	5.1
157.10162	2.8
158.07233	4.3
159.08057	6.7
161.05981	15.9
161.09550	3.3
163.07553	2.0
165.07004	6.1
167.07150	1.4
167.08502	2.8
169.06525	4.5
169.10123	1.5
170.07233	2.9
171.04439	1.8
171.08112	6.2
172.05156	1.7
172.08800	5.6
173.05963	1.5
173.09528	2.0
174.06740	2.0
175.07533	6.8
177.05458	2.2
179.60745	1.2
181.06447	2.9
182.07237	8.6
183.08011	5.4
184.05176	3.0
184.08780	7.4
185.05956	3.4
185.09595	12.7
186.06789	2.9
187.07558	7.3
187.11125	3.5
189.09119	3.7
189.12773	2.6
191.07043	6.8
194.07260	3.1
195.08058	3.3
197.05983	3.7
197.09557	12.8
198.06749	20.5
199.07538	13.3
199.11067	2.7
200.08293	4.9
201.09134	5.2
202.07771	2.6
205.08580	1.6
209.09711	1.5
210.06792	4.2
210.14929	2.2
211.07539	4.9
212.08322	5.9
213.09123	26.8
215.08691	2.6
215.10663	7.2
217.08423	1.8
217.10255	2.2
225.09111	15.1
227.10587	1.5
228.07523	1.5
229.10304	2.1
231.08043	4.1
232.08832	1.6
233.09625	2.1
237.09180	2.1
242.09464	2.6
243.07999	1.1
243.10162	22.2
245.09583	3.2
245.11752	3.1
246.10049	1.7
247.07495	2.0
248.08313	2.2
249.09023	2.1
255.10226	7.5
257.09628	3.6
259.07590	3.6
259.11264	1.8
261.09134	5.4
262.09915	2.1
264.07788	2.0
265.08752	1.9
271.07611	3.8
273.11237	84.3
274.11771	2.5
275.10641	4.3
276.07889	3.3
277.08597	3.6
277.12057	2.0
277.60373	1.3
278.09299	2.9
285.09021	4.4
287.10666	3.3
289.08682	3.0
289.11981	2.9
290.09421	1.9
291.10132	6.7
292.07370	1.9
293.08035	1.7
293.11780	3.0
294.08801	2.1
301.08710	2.0
302.09265	2.4
303.10178	4.5
305.11743	4.0
306.08850	2.0
307.09689	8.2
308.10455	2.8
309.11057	2.4
314.09378	1.4
316.10901	1.5
317.11639	4.3
319.09674	2.5
319.13123	1.6
320.10324	2.3
321.11273	7.5
321.14532	1.5
323.12927	2.1
325.10587	3.1
329.11691	1.6
333.11188	3.5
334.11691	2.4
335.12573	5.7
336.13330	2.0
337.10547	2.7
337.14282	1.6
339.12216	2.7
347.12762	1.5
349.14285	7.4
351.12277	7.3
353.13788	3.5
354.14600	14.5
361.14529	2.0
367.15414	4.1
379.15323	10.8
380.15268	1.2
397.16458	94.4
397.25504	3.8
397.35501	4.2
398.16797	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	397.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57413	1.3
53.03933	2.4
55.01867	3.1
55.05495	6.2
57.03427	3.5
57.07065	2.1
67.05505	10.1
69.03426	7.5
69.07048	4.5
70.06578	6.5
70.40638	1.5
71.04995	2.5
71.57842	2.6
72.08160	7.5
78.49666	1.7
79.05492	12.5
81.03416	10.5
81.07048	16.6
82.08943	1.5
83.05012	2.1
83.08615	3.2
84.08145	10.6
85.02878	5.8
86.09685	3.2
91.05479	17.7
93.07044	17.6
94.04157	4.1
95.04970	4.4
95.08597	9.8
97.02901	3.9
97.10123	3.0
97.97385	1.4
98.09683	5.8
98.21056	2.2
99.04402	3.2
100.07620	9.8
103.05455	4.4
105.07053	8.1
107.04939	5.1
107.08595	11.6
109.02845	3.8
109.06487	3.5
109.10130	4.2
110.07192	1.8
111.04437	3.3
111.08065	2.1
112.07578	2.2
112.11230	3.4
114.09151	3.8
114.60297	1.6
115.05429	4.2
117.03352	1.9
117.06994	3.6
119.01915	12.8
119.04954	8.4
119.08559	4.3
121.06490	2.4
121.10118	4.8
122.03647	9.0
123.04420	2.0
123.11649	2.2
127.03912	4.4
128.06210	6.2
129.07037	7.8
131.01883	2.8
131.04939	4.1
131.08566	8.3
133.02748	3.2
133.06493	1.7
133.10109	3.1
135.04337	2.2
135.11676	6.5
136.06148	2.7
137.03011	4.1
137.05975	100.0
138.06282	1.6
141.06969	4.5
142.07744	4.8
143.08568	2.9
144.05609	3.2
145.02742	1.7
145.06499	2.4
145.10080	1.9
146.03564	2.4
147.04343	4.6
147.08015	2.2
149.05971	7.0
149.09598	1.9
151.03946	2.3
151.07559	14.5
153.06976	3.8
155.08510	4.7
157.06458	4.6
157.10060	1.7
158.07228	2.3
159.08005	7.2
161.03014	2.3
161.05962	14.8
161.09584	3.8
161.13194	1.7
165.05496	1.6
165.06905	3.6
165.12642	2.2
167.07074	2.7
167.08510	2.0
169.06422	3.9
169.13338	3.2
170.07224	4.0
171.08025	6.3
172.08858	3.8
173.02882	2.0
173.06001	2.6
173.09637	2.4
175.07516	7.3
175.11197	1.8
177.05447	6.5
181.06482	4.4
182.07242	7.7
183.08066	2.6
184.05237	3.0
184.08862	3.5
185.06290	3.8
185.09621	10.8
186.06662	2.6
187.07593	9.0
187.11131	2.7
189.09042	4.9
191.06979	7.0
194.07256	2.6
195.08083	3.2
197.06137	2.3
197.09579	10.3
198.06779	16.8
199.07536	12.8
199.11194	3.6
200.08208	2.2
201.05591	1.7
201.09050	6.2
203.04012	2.3
205.08562	2.2
210.14880	2.5
211.07509	4.1
212.08269	4.9
213.09100	21.1
215.06931	2.5
215.10635	5.9
221.04826	2.2
225.09094	12.6
227.10628	2.8
229.10269	2.6
229.12843	4.5
231.07968	2.2
233.05835	2.7
235.11697	3.1
242.09402	1.7
243.08151	2.1
243.10223	18.9
245.09567	5.5
245.11700	3.3
247.07474	2.6
247.11359	1.8
248.08339	2.8
253.12817	17.1
255.10139	6.1
256.24072	1.7
257.09583	2.5
257.12051	2.1
257.17538	2.6
258.06815	1.9
259.07532	2.9
261.09204	7.5
263.10721	2.2
265.08591	4.0
265.12802	6.7
267.14371	2.1
271.07706	1.9
271.13922	11.7
272.08450	2.6
273.11255	57.1
275.07346	3.1
275.10608	4.2
276.07782	4.6
277.08582	4.7
277.12289	2.0
283.13840	4.8
285.09140	4.5
286.09671	1.9
288.07916	2.6
289.08578	4.2
289.12033	2.8
290.09592	2.5
290.24817	2.4
291.10254	8.1
292.07486	3.6
293.07925	4.3
293.11411	3.8
295.13861	4.2
301.08551	3.2
303.10114	6.9
305.08133	3.1
305.11563	4.1
306.08936	2.0
307.09570	12.1
307.13382	3.6
308.10284	7.2
317.11664	5.9
318.12390	2.4
319.09634	3.6
319.13092	2.0
320.10327	2.9
321.11148	6.5
322.11865	2.4
323.12558	1.8
325.10535	3.8
333.11157	3.0
334.12054	2.5
335.12827	8.5
336.13501	2.7
337.14490	3.0
339.12250	2.2
348.13226	2.2
349.14233	6.5
351.12338	13.0
353.13947	2.9
354.14621	19.9
355.15948	23.2
367.15390	3.6
373.17004	23.5
379.07739	2.5
379.15344	13.4
379.33313	2.6
380.33237	2.7
397.16504	89.5
397.25677	3.2
397.35272	9.1
398.16724	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	396.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.4
57.03421	0.3
67.05493	1.2
69.03429	0.7
69.07063	0.5
70.06590	0.8
71.04966	0.5
71.57962	0.3
72.08146	0.2
76.55215	0.2
79.05490	1.1
81.03420	1.6
81.07041	1.1
83.04992	0.3
83.08604	0.6
84.04517	0.3
84.08118	0.5
85.02922	0.3
86.09711	0.5
91.05476	1.5
93.07036	1.1
94.04057	0.5
95.04964	1.1
95.08593	0.3
97.02929	0.4
97.06551	0.4
100.07607	0.3
105.07027	0.7
107.08596	0.7
111.08060	0.3
119.03533	1.6
119.08591	0.8
120.08026	0.4
121.10124	0.6
129.07063	0.4
131.08553	0.6
136.06181	100.0
137.04625	1.7
137.06509	1.0
147.11688	0.9
148.06139	0.4
157.10086	0.6
162.04095	1.1
165.12645	0.3
175.11237	0.5
190.10846	2.3
193.12222	2.0
211.13280	2.2
225.14897	0.4
234.13498	3.0
278.12476	1.0
288.19608	0.3
346.18591	1.9
360.20270	0.3
364.19781	8.3
378.21368	2.5
396.17130	0.8
396.22385	12.8
397.22864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
65.03882	1.4
65.63499	1.3
67.05504	2.7
67.68625	1.4
70.06593	2.0
70.71374	4.5
73.82635	1.4
79.05491	4.5
81.07069	2.9
84.08153	3.6
90.72755	1.6
91.05491	13.9
93.07042	2.8
94.04173	3.5
95.04985	2.8
95.48872	1.4
97.06541	1.4
98.09665	2.1
100.07628	2.1
103.05402	3.0
105.07022	2.1
107.04962	3.7
109.06509	2.6
111.04455	1.6
115.05486	4.0
117.07036	2.1
119.04965	7.8
121.06503	2.3
122.03675	7.4
123.04406	2.1
128.06264	4.3
129.07011	9.7
131.04941	3.5
131.08569	6.2
135.04436	2.2
136.05275	1.6
136.06197	6.8
137.05980	100.0
138.06325	2.5
141.07021	6.0
142.07697	1.5
142.99191	1.4
143.08499	1.8
144.05698	4.2
145.06509	2.8
145.10162	1.9
146.03658	3.2
146.07233	1.8
147.04419	2.6
149.05963	5.0
151.07556	14.6
152.06227	2.5
153.06989	2.8
154.07755	2.8
155.07399	1.4
155.08540	7.4
157.06488	4.8
157.10083	2.4
158.07280	4.7
159.08058	8.2
160.08636	1.7
160.29640	1.3
161.06004	17.5
161.09633	2.3
162.04120	13.7
165.07039	4.0
167.07162	1.7
167.08565	3.6
169.06464	4.1
170.07217	3.1
171.08072	7.7
171.71346	1.6
172.08864	4.7
173.06064	1.5
173.09619	4.2
174.06705	1.8
175.07552	4.9
181.06509	3.7
182.07242	8.3
183.04408	1.9
183.08052	4.3
184.05179	2.3
184.08870	2.9
185.05992	3.3
185.09605	11.5
187.07578	8.0
187.11165	2.3
189.09085	4.3
191.06989	7.0
194.07355	3.0
195.08089	3.8
197.05980	2.5
197.09616	10.7
198.06772	17.6
199.07503	10.3
200.08292	4.6
201.09099	5.1
202.07845	2.1
203.08551	1.9
209.05939	1.5
209.09650	2.8
210.06819	3.5
211.07570	6.4
212.08348	4.8
213.09138	22.5
215.08774	2.5
215.10590	7.6
216.09355	2.0
217.08356	2.6
217.10207	2.1
219.08125	2.5
221.05827	1.7
225.09071	16.3
227.10666	2.7
228.07651	2.0
229.10294	2.8
231.08011	4.5
231.10124	2.4
232.08846	3.4
242.07333	2.4
242.09480	1.7
243.07977	3.4
243.10190	21.1
245.09581	4.6
245.11786	3.1
247.07518	3.0
248.08379	3.8
249.09077	1.9
252.14607	2.7
253.08455	1.7
254.09131	1.7
255.10216	6.6
257.09650	4.0
259.07501	3.1
260.08371	3.1
261.09100	7.5
262.09775	2.1
263.06989	2.0
264.07800	4.4
265.08640	6.0
271.07565	4.3
273.11316	58.1
274.09573	2.1
275.10660	6.4
276.07809	5.6
277.08606	5.8
278.09433	3.7
278.12512	10.4
285.09088	2.8
286.09839	1.9
287.07037	2.6
287.10556	3.5
288.07791	3.3
289.08545	5.5
289.11957	2.7
290.09439	5.0
291.10223	12.0
292.07327	3.3
292.10635	2.3
293.08093	6.4
293.11679	5.6
301.08633	4.4
302.09277	2.5
303.10056	9.3
304.11057	2.1
305.08270	3.0
305.11682	7.1
306.08945	2.3
307.09735	15.5
308.10352	8.2
309.11087	3.1
315.09906	3.2
316.10855	2.3
317.11859	5.3
318.08948	2.2
318.12527	2.4
319.09631	4.9
319.13168	3.2
320.10385	4.5
321.11224	10.4
322.11856	3.4
323.12689	3.3
325.10666	3.3
330.20242	1.8
331.09662	2.7
333.11261	5.3
334.11984	1.9
335.12854	11.3
336.13446	4.6
337.14340	2.1
339.12320	5.6
349.14304	8.0
351.12241	18.7
353.13766	4.7
354.10611	2.5
354.14612	28.9
355.14859	1.9
361.14407	2.9
364.13068	2.2
367.15445	4.0
379.15387	18.1
397.16470	81.8
398.17023	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	394.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84280	4.8
55.01869	5.4
55.05489	8.1
56.05033	12.9
56.96564	10.4
60.04539	6.8
65.03919	5.9
69.03423	15.5
70.06589	29.8
71.57867	7.8
72.08152	11.7
73.02903	7.9
74.06084	14.0
75.88815	4.7
76.14793	4.8
78.53738	5.0
79.05510	6.5
81.03418	5.6
82.06569	6.4
84.04506	24.2
84.08144	100.0
85.00641	5.0
85.02902	22.7
86.09707	17.4
88.04008	9.0
95.04962	9.2
97.02919	7.1
98.06035	11.5
98.97602	8.8
107.04939	7.5
109.02843	5.1
110.07154	10.2
113.62972	5.6
116.98573	6.8
119.04945	24.5
120.08065	8.9
129.10248	7.8
135.04401	7.3
137.05983	18.1
147.04414	28.9
149.05963	7.5
162.04117	17.8
167.07036	7.1
179.07047	29.4
198.64157	5.5
263.08932	10.4
330.20316	8.8
395.19528	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	395.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52029	3.7
69.81926	3.7
71.11243	9.2
73.99244	4.0
87.65512	4.1
94.93006	6.4
96.56815	4.1
148.28537	3.9
222.98712	5.2
248.89626	14.1
394.98056	11.7
395.05112	6.3
395.09579	100.0
396.09988	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	393.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57807	0.5
69.92417	1.0
69.92806	3.1
70.87563	0.7
75.28423	0.6
98.20854	0.7
98.83299	0.5
337.22284	0.6
375.25061	0.7
393.26111	100.0
394.26352	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	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	26.6
57.07065	17.4
58.18945	8.0
60.34655	9.3
66.56195	7.4
67.05502	42.8
69.07055	25.5
70.82697	10.0
71.58501	12.1
79.05502	44.7
81.07064	80.6
83.08597	20.6
86.34781	7.5
87.43196	9.5
91.05486	56.9
91.91239	7.4
93.07039	96.9
95.04972	76.8
95.08615	63.8
97.06514	17.2
98.98509	7.8
102.48551	10.2
105.07046	100.0
107.08581	54.2
109.06497	12.3
109.10162	23.0
110.49976	8.2
115.05418	9.3
115.26823	7.9
117.07021	29.1
119.08578	95.7
121.06485	24.0
121.10160	44.9
128.06161	11.8
129.07033	26.6
131.08551	47.9
133.10167	50.1
135.08078	10.8
135.11696	26.5
141.06984	10.8
142.07759	36.2
143.08539	29.1
145.10124	62.6
147.11652	30.2
155.01016	28.8
155.08537	14.1
156.09373	11.9
157.10136	53.7
159.11665	61.8
161.09621	20.4
161.13268	14.5
169.09991	19.5
171.11696	26.7
173.13304	22.1
175.14815	17.5
179.08478	14.6
181.10023	19.0
183.11652	21.8
187.14844	11.4
197.13277	23.2
209.13229	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	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59615	2.8
53.03946	8.8
53.78902	3.1
55.01856	2.7
55.05505	18.0
57.07061	12.2
62.06090	5.1
65.03937	4.8
66.66170	2.8
67.05505	37.7
69.07065	18.2
69.80666	18.9
71.04988	3.7
71.08635	7.1
72.58526	2.9
75.27186	2.8
79.05061	3.9
79.05490	41.9
81.07054	68.9
82.20522	2.9
83.04984	5.9
83.08622	13.2
85.06562	3.6
85.10175	5.0
91.05476	55.2
93.07043	86.2
95.04965	61.8
95.05558	3.7
95.08605	59.6
95.40640	2.5
97.06529	13.3
97.10207	3.5
98.98476	8.9
103.05437	5.4
105.07027	100.0
107.08587	53.2
109.06524	18.9
109.10158	31.7
115.05461	7.4
117.07004	20.9
119.08567	89.8
121.06490	19.0
121.10141	34.1
123.08075	10.7
123.11684	14.1
128.06239	7.5
129.06973	15.4
130.07787	8.0
131.01871	2.5
131.08566	42.8
133.10132	63.6
135.08070	7.6
135.11697	19.8
137.09698	2.7
141.06999	9.7
142.07753	20.2
143.08568	38.2
144.09387	10.2
145.06529	3.2
145.10115	68.5
147.08026	4.1
147.11667	21.8
149.09619	6.6
153.07045	3.3
154.07782	5.1
155.01018	17.9
155.08551	13.6
156.09338	17.9
157.10130	67.8
158.10860	5.1
159.08098	5.9
159.11691	52.9
161.09645	21.6
161.13203	6.2
163.11212	3.7
165.06990	4.5
167.08562	6.8
168.09317	4.2
169.10123	24.7
170.10930	6.8
171.11699	24.1
172.12440	8.0
173.09615	6.1
173.13269	23.3
174.17110	2.9
175.11223	9.0
175.14828	13.1
179.08574	9.5
179.14302	5.1
181.10164	10.0
182.10852	6.5
183.11708	20.4
184.12401	3.5
185.13261	13.3
187.11180	11.2
187.14877	11.8
192.09332	4.9
193.10071	7.7
194.10944	6.7
195.11691	11.5
196.12401	3.3
197.13179	13.5
199.14844	8.5
201.16383	9.4
207.11755	7.8
208.12437	3.8
209.13193	17.3
211.14835	9.1
221.13278	5.1
223.14876	10.0
225.16353	5.7
227.14233	3.6
235.14836	5.7
237.16405	4.6
375.26852	5.7
393.27740	12.3
393.31970	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	393.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15117	0.7
53.31542	0.7
55.05506	1.0
57.03422	0.6
59.23036	0.6
67.05506	1.8
70.84328	1.0
70.84688	1.5
74.27757	0.5
78.93454	0.7
81.07050	1.5
88.56861	0.6
91.05460	1.4
93.07033	1.5
95.04935	1.1
95.08589	1.3
95.33448	0.6
105.07027	1.9
107.08605	1.3
108.45224	0.5
109.10174	1.1
115.05476	0.6
119.08575	0.8
121.10145	0.7
128.66615	0.6
135.07942	0.7
145.10121	1.1
155.74596	0.6
165.12723	0.8
201.68501	0.7
393.26086	100.0
394.26413	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	393.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77901	1.5
55.05508	4.7
57.03421	4.5
57.07077	37.7
67.05506	14.9
69.07061	6.8
70.75472	3.4
71.08632	24.8
81.07056	21.4
83.08611	9.0
85.10178	13.8
87.39142	1.8
91.05467	1.7
93.07048	3.0
95.08611	27.7
97.10150	5.9
98.98470	69.8
105.06999	3.9
109.10156	14.7
116.99512	3.9
118.76917	1.7
119.08535	3.1
121.10133	1.9
123.11711	7.6
129.40955	1.6
131.08554	1.6
133.10130	2.7
140.00986	2.1
147.04401	1.7
155.01036	100.0
191.95340	1.6
237.09050	1.7
239.23761	6.6
272.83759	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01864	0.7
55.05506	1.7
65.03930	1.8
67.05502	7.3
68.99765	0.7
69.03424	2.7
69.58450	3.6
70.06593	1.3
72.08157	0.9
73.88400	0.4
79.05489	1.0
81.03406	0.6
81.07056	1.1
83.04979	10.4
84.04447	0.7
84.08130	0.8
85.02931	0.5
86.09690	1.9
89.03405	0.9
89.03912	10.2
91.05484	1.2
93.03411	1.7
93.07025	1.8
93.07565	0.4
95.04964	19.0
95.08597	0.5
97.02868	0.8
98.09680	0.5
100.07646	0.8
103.05463	0.6
106.04186	0.6
107.04956	1.0
107.08566	0.9
109.06480	0.6
109.10143	0.6
111.04434	16.7
114.09174	0.5
117.03374	28.2
118.03760	0.6
119.08594	0.7
120.08097	1.4
121.02872	1.0
121.10149	0.8
124.51227	0.4
133.10146	0.5
134.03624	1.9
135.04424	2.0
136.06229	0.6
139.03900	10.7
145.02841	65.6
146.03191	1.4
147.04390	0.5
149.05969	8.8
157.04979	1.0
163.03874	0.8
177.05466	100.0
178.05811	2.4
186.05495	1.7
193.47052	0.4
199.06015	29.1
200.06403	0.7
234.12372	0.6
333.09686	4.8
375.19025	0.4
393.11719	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	393.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43987	0.5
55.01870	0.6
55.05533	0.5
56.05039	0.8
62.16137	0.5
67.05507	1.0
68.05040	1.8
69.03414	0.6
70.06587	2.7
71.57423	0.8
72.08163	1.9
74.06094	0.8
79.05480	0.9
81.03429	1.2
81.07050	1.1
83.05006	0.8
84.04506	0.9
84.08160	2.1
85.02921	0.5
86.06055	0.7
86.09721	2.0
86.43711	0.5
88.03988	0.6
91.05507	1.3
93.07054	1.2
95.04975	1.1
97.02882	0.8
98.15269	0.4
105.07043	0.8
107.04946	0.6
110.07200	0.5
110.09660	0.5
111.04435	1.5
116.07093	0.6
117.03394	1.7
119.04955	0.5
119.06033	0.5
120.08115	2.1
121.02866	5.8
121.06515	0.5
124.05077	1.1
130.05019	1.3
133.10094	0.4
135.04506	0.5
139.03899	0.6
140.03441	1.3
142.04941	0.4
145.02872	3.8
147.04405	1.9
149.04591	0.9
151.03918	0.5
151.07448	0.5
153.05402	0.5
161.06010	0.6
161.08090	0.6
166.07272	0.6
166.08629	0.5
172.05988	0.7
177.05478	6.0
189.06548	0.6
199.06007	1.7
201.06389	2.3
201.10274	0.5
202.07187	1.9
203.08034	1.6
204.08801	7.3
215.07977	1.9
216.08801	100.0
217.09525	3.6
218.10385	5.6
225.06448	10.9
226.07219	3.8
227.08038	1.4
229.09613	0.9
230.10376	9.6
240.08794	54.5
241.09456	2.5
246.09921	7.0
258.09897	2.6
268.08322	3.8
272.11392	3.6
283.09265	0.9
286.99854	0.5
300.10898	56.7
301.11285	0.5
301.14395	0.6
311.08789	1.1
315.11975	1.1
333.12961	2.8
343.11783	2.3
343.16016	0.5
361.12622	5.0
375.14056	3.4
375.18231	0.9
387.81509	0.4
389.97629	0.5
393.15018	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	392.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00338	1.5
50.21294	1.6
55.01866	3.9
55.05507	1.8
56.05014	2.8
57.03436	16.6
58.99587	12.2
61.01138	1.4
65.03915	1.4
67.05503	3.1
69.43460	12.0
70.06573	6.6
71.04974	2.1
72.08137	2.4
73.01136	1.4
76.02227	53.5
81.07092	2.7
82.06557	1.5
83.04986	1.7
83.06080	2.7
84.04041	2.6
84.04506	32.7
84.08138	12.9
85.02916	2.6
85.06538	25.6
86.09696	3.1
86.99062	4.8
88.02202	4.6
89.00612	2.9
96.08138	1.5
99.02667	8.0
99.05539	2.1
102.05537	4.1
107.05008	1.4
108.08051	1.4
110.07182	1.7
112.03970	2.7
116.01675	19.8
116.05315	3.1
117.03712	100.0
120.08110	1.7
123.04401	2.2
125.04215	3.4
129.06586	6.0
130.04985	15.8
132.25311	1.3
136.07646	1.5
142.03241	3.4
142.06859	14.1
142.08614	4.3
143.05234	8.3
143.21919	1.4
144.01100	7.0
147.04420	2.3
149.02327	4.6
160.07912	20.7
162.02196	32.9
170.02737	2.1
179.04842	23.2
214.60210	1.6
217.13669	1.8
228.06996	2.1
233.05948	5.7
245.09555	90.5
246.07826	7.8
246.10083	1.7
263.10568	6.1
299.10721	2.6
299.99673	1.6
317.11667	14.7
392.13672	4.3
419.76978	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
56.05019	0.8
56.72314	0.7
56.96551	1.2
58.99558	1.0
67.05471	0.8
69.03402	0.9
70.06587	5.9
70.17986	1.6
70.18388	2.7
72.08146	1.8
76.02222	2.4
79.05492	1.3
81.03407	1.0
81.07039	1.2
83.04982	1.0
84.04499	4.4
84.08152	4.6
85.02872	1.5
86.09712	1.0
88.03959	0.7
91.01083	0.6
91.05471	1.8
92.34428	0.6
93.07000	1.1
95.04960	0.6
97.02906	1.0
97.26791	0.7
99.02636	0.7
102.05511	1.3
111.50556	0.7
116.01671	2.3
116.05293	0.7
119.04922	1.0
120.08109	1.6
124.07600	0.7
126.09116	1.6
129.10214	0.9
130.05031	0.6
140.32263	0.6
142.06865	2.4
142.08582	1.0
143.05280	0.9
144.01120	0.7
144.10197	4.0
146.05937	0.6
147.04407	2.4
147.08057	0.8
149.02361	1.6
150.02750	0.8
160.07860	1.3
162.02199	1.7
163.03848	0.7
177.00932	0.6
179.04947	0.8
190.08632	0.9
202.05005	0.7
205.12369	0.8
210.05313	0.7
217.13681	0.8
230.07957	1.4
230.13892	1.9
237.03050	0.9
245.09541	7.7
266.08932	0.9
369.44141	0.7
392.13126	100.0
393.13409	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	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97627	0.4
54.57418	0.4
54.68142	0.4
59.20793	0.4
63.02993	0.5
63.03369	0.4
69.59911	2.5
69.60322	0.5
83.57049	0.4
93.75731	0.4
100.63860	0.4
103.04090	0.4
109.84904	0.4
131.08521	0.5
149.02304	1.2
158.17059	0.4
266.40945	0.4
391.24527	100.0
392.24832	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04703	1.6
53.03923	1.6
55.05482	7.2
57.07061	2.3
65.03913	1.9
65.58382	1.6
67.05504	10.5
69.03397	1.9
69.07049	4.3
70.34032	3.2
70.34427	3.4
71.08618	1.6
79.05489	10.5
81.06666	1.7
81.07050	20.8
83.04919	2.8
83.08564	1.9
85.06574	1.6
91.05470	16.1
93.07040	19.5
95.04477	1.6
95.04965	17.7
95.08617	9.3
97.06500	2.2
98.20795	1.8
100.35822	2.0
105.07030	31.9
107.08597	11.1
107.92940	1.5
109.06512	3.7
109.10101	3.3
112.35408	1.8
115.05457	2.3
117.06950	6.4
119.07805	2.3
119.08580	25.0
121.06445	4.4
121.10127	10.7
123.08038	3.0
128.06169	4.2
129.06923	7.4
130.07735	3.6
131.08586	10.5
133.06468	2.1
133.10136	10.2
135.08008	2.0
135.11607	1.9
141.06932	3.4
142.07727	7.2
143.08562	13.7
144.09293	2.4
145.10127	21.7
147.07979	3.5
147.11641	4.4
149.02335	9.4
149.09534	2.6
150.58934	1.6
153.06927	3.5
155.08502	6.2
156.09267	4.8
157.10110	16.6
159.08028	3.0
159.11723	7.7
161.09573	2.0
165.06914	3.4
167.08524	2.4
168.09230	3.3
169.10144	10.7
171.11678	7.7
173.09541	3.8
173.13164	5.7
175.11104	2.1
179.08440	6.2
180.09309	2.6
181.10060	5.6
182.10864	2.5
183.11700	10.2
185.09561	2.6
185.13249	3.7
187.11223	1.9
192.09268	2.1
193.09996	6.1
194.10907	3.8
195.11678	9.6
196.12392	3.0
197.13136	5.2
199.11067	3.7
199.14804	2.3
201.12575	2.0
205.10005	3.8
206.10661	1.9
207.11668	8.3
208.12395	3.9
209.13315	8.3
211.14691	4.5
213.12654	2.2
215.14249	2.0
219.11676	3.9
220.12410	2.9
221.13141	6.4
222.13991	2.0
223.14731	6.3
225.16248	2.1
231.11487	2.8
232.12303	3.5
233.13217	3.3
233.15302	4.0
234.13925	2.4
235.14674	3.9
238.78458	1.7
245.13234	2.1
246.13710	2.1
248.15442	1.9
249.16307	3.9
251.14119	2.7
251.17792	2.9
253.15923	2.2
255.17261	2.0
259.14578	2.0
261.16180	2.6
263.17935	3.2
275.17685	2.1
279.17200	2.7
281.18958	1.7
282.19598	2.5
291.17291	3.3
297.18384	1.7
317.18616	2.3
329.32272	1.9
335.19821	4.7
373.25555	7.6
391.24493	100.0
392.24817	7.8
410.13464	2.0
414.07898	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.96558	1.0
67.05505	0.8
68.07869	0.5
70.53875	1.4
70.54272	1.1
71.58372	0.5
79.05481	0.9
81.07060	0.7
91.05466	0.6
93.07026	1.0
107.08616	0.6
119.08605	0.7
133.10133	0.7
149.02403	1.7
156.58275	0.5
161.11148	0.5
228.09785	0.5
306.82840	0.5
321.16705	1.4
350.17422	0.5
368.18210	2.8
391.24539	100.0
392.24930	2.6
397.08075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
56.96552	0.9
57.07067	1.7
67.05491	0.7
68.37715	0.4
70.06585	4.9
70.35688	1.8
71.06929	0.9
71.08619	0.8
79.05499	0.7
81.07067	0.8
84.39659	0.6
86.09703	1.0
88.07626	1.5
88.68286	0.5
91.41806	0.5
93.07051	1.2
95.08618	0.9
100.96988	0.5
102.09195	0.8
102.57621	0.6
107.08572	0.6
119.08654	0.9
121.10098	0.7
131.08539	0.6
132.10207	1.6
135.00847	0.5
146.11760	2.4
147.11993	0.6
149.02348	1.6
157.10185	0.6
182.69623	0.5
197.13188	0.6
285.29846	1.7
321.16699	1.8
328.32077	1.1
329.32425	8.7
390.35873	0.7
391.24554	100.0
391.36002	28.2
392.24817	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33929	0.4
52.96822	0.3
55.05478	0.6
57.07070	0.6
60.50175	0.4
67.05466	0.7
70.06588	0.7
71.57569	0.3
71.58018	0.8
79.05518	0.3
81.07040	0.6
83.08594	0.5
89.10817	0.4
93.06975	0.6
94.55968	0.4
97.02820	0.4
105.07004	0.4
107.08601	0.5
107.27778	0.4
119.08614	0.6
149.02345	1.8
167.03485	0.4
204.64008	0.4
231.57329	0.4
329.32590	0.5
378.02106	0.5
391.24524	100.0
392.24796	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01875	16.4
55.05511	48.2
55.14926	2.3
57.03420	9.8
57.07076	16.4
67.05502	36.0
67.42384	2.2
69.03426	3.1
69.07061	45.7
71.08624	8.1
71.16599	2.6
71.58371	4.5
78.69664	2.4
79.05500	20.1
81.07053	35.6
81.15981	2.7
83.08616	42.8
85.10181	3.0
91.05482	8.4
93.07046	22.7
95.04971	5.4
95.08608	28.3
97.06532	10.0
97.10164	29.5
98.98460	97.3
105.06997	4.4
107.08582	14.9
109.06551	3.8
109.10164	9.7
111.08057	9.2
111.11701	8.5
116.99510	5.7
117.24695	2.6
119.08579	5.2
121.10125	26.4
123.11694	5.5
125.09617	3.6
126.61433	3.0
131.08603	4.6
133.10100	5.8
135.11668	19.8
137.13248	7.1
143.08572	2.6
149.02336	15.1
149.13277	5.7
155.01039	100.0
215.28070	2.8
219.21077	11.7
237.22116	28.8
391.19379	3.9
391.24606	9.0
391.33643	3.2
407.90674	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.3
61.88384	0.5
63.19212	0.5
67.05492	1.6
69.03441	0.4
79.05474	1.2
81.07064	1.1
91.05489	0.8
93.07056	1.3
95.04956	0.5
95.08581	0.9
98.20692	1.0
105.73649	0.5
107.08574	0.6
117.06988	0.6
119.08569	0.6
125.09628	0.5
131.08530	0.7
150.07930	0.4
169.10124	0.5
229.23871	0.5
240.55455	0.6
252.65744	0.5
269.12387	0.5
282.07516	0.6
285.09885	0.6
315.19510	0.5
329.54645	0.5
348.15701	1.0
366.16788	0.8
389.22946	100.0
390.23373	3.9
390.35962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
67.05505	1.1
69.07074	0.6
70.32642	1.3
70.33058	0.9
71.62748	0.4
79.05483	1.1
81.03417	0.6
81.07068	1.1
83.04968	0.6
85.02895	0.6
91.05486	1.3
93.07046	0.8
97.02873	0.8
99.25792	0.5
105.07015	0.9
107.08592	0.9
119.08593	1.1
122.01708	0.6
133.10077	0.8
143.08545	0.8
150.23506	0.5
165.09253	0.6
302.95432	0.5
389.22964	100.0
390.23340	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
56.96566	0.6
62.85366	0.7
67.05492	1.6
69.07050	1.0
70.06566	0.7
71.58598	0.8
79.05486	1.3
81.03445	0.6
81.07051	1.9
85.21175	0.6
91.05485	1.4
93.07015	1.4
95.08570	1.1
97.02895	0.9
105.06997	1.5
107.08569	0.8
107.55347	0.7
109.10110	0.8
119.08575	1.7
121.10116	1.1
131.08536	0.9
133.10155	1.3
161.13322	0.7
231.08932	0.6
243.05560	0.6
312.58292	0.7
389.22955	100.0
390.23285	5.4
390.35886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23108	0.5
52.40115	0.5
54.76849	0.5
55.05502	0.6
56.96566	1.2
60.42244	0.5
67.05515	1.1
70.24191	1.3
74.35426	0.5
79.05492	1.0
81.07059	1.0
91.05481	0.6
95.08591	0.7
97.06528	0.7
105.07019	0.6
107.08478	0.5
117.07020	0.7
133.10127	0.7
189.04340	0.6
343.42163	0.6
343.47360	0.6
348.15564	0.7
349.13004	0.6
353.51752	0.5
366.16129	0.6
389.22958	100.0
390.23257	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	389.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.01870	20.2
55.05503	14.3
56.05053	5.3
56.96555	15.4
57.02712	5.5
57.03437	11.7
60.04531	7.3
63.20224	5.1
65.03937	15.1
67.05505	12.9
69.03432	25.0
69.07048	5.5
69.35929	51.8
70.06580	19.4
70.51231	7.0
71.04994	63.6
72.08155	22.3
76.02232	20.2
79.05488	13.6
81.03413	22.1
81.07036	10.2
83.04961	15.1
83.06091	8.6
83.08592	8.2
84.04530	10.1
84.08134	16.6
85.02900	100.0
85.06553	6.7
86.09719	50.0
91.05477	17.4
93.07042	16.7
95.04979	18.0
95.08595	15.1
97.02905	10.0
98.97578	10.0
99.04449	13.6
103.05458	13.4
105.07048	14.0
107.04939	15.3
107.08612	12.8
109.02830	7.0
111.04408	8.8
111.05546	19.8
111.08094	6.4
115.05473	5.9
116.98648	9.6
119.08575	13.6
120.08130	11.1
121.06517	7.6
121.10133	11.5
123.04443	20.8
123.05565	15.1
123.08059	11.0
126.13023	5.4
127.03891	7.7
129.05475	7.2
129.07002	12.6
129.10216	6.8
131.04942	29.2
131.08582	7.4
133.10115	7.6
136.06187	12.5
137.02344	17.9
137.05971	38.9
141.06639	19.2
147.04431	17.7
149.05977	6.1
149.09567	6.5
151.03940	9.1
153.05563	5.5
157.06508	8.0
161.01256	7.8
161.06010	12.1
162.02223	15.0
163.07521	9.3
165.05540	30.5
165.06808	6.7
167.07022	24.6
169.06436	9.8
173.12883	8.2
175.07552	7.4
175.11238	5.7
177.05470	27.0
179.04858	19.7
181.04924	55.6
181.06035	4.8
181.75211	5.7
187.07516	6.8
189.09108	8.2
191.14241	13.5
193.12300	13.4
197.06094	8.6
209.08083	27.4
209.15390	6.3
211.13242	19.2
215.07040	13.2
217.08672	7.0
219.10173	10.3
227.16373	11.9
237.09990	6.8
253.03671	6.2
256.68994	6.3
265.09665	13.7
267.11169	8.3
287.05493	44.0
293.09119	21.3
321.08469	8.6
326.06357	8.2
339.09583	22.4
353.20984	6.1
361.02307	91.5
371.15256	21.7
371.21936	13.3
379.03412	38.2
389.13184	22.7
389.16150	18.7
389.21039	33.5
402.31531	6.0
403.03406	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.217
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
53.03938	2.2
55.01873	39.5
65.03941	10.6
67.05493	5.1
69.03436	3.6
69.07056	1.5
70.06602	2.3
70.98171	1.9
70.98486	2.1
72.08134	1.4
77.13450	1.1
77.99769	1.3
79.05493	4.0
81.07043	1.9
82.04189	3.8
85.02899	7.6
86.09703	6.5
91.05480	5.2
93.03391	1.8
93.06988	2.8
94.04175	2.2
95.04972	6.4
97.02857	1.7
97.06549	3.5
103.05465	19.6
104.72434	1.3
105.03373	1.6
105.07021	1.7
107.04952	8.6
107.08553	1.6
108.02085	1.4
109.06487	1.9
110.03679	7.2
111.04431	3.4
115.05482	2.2
117.07035	2.3
121.06503	4.6
121.10190	1.4
122.03665	4.2
123.04427	3.4
124.05250	1.6
125.05988	3.8
125.09638	2.0
128.06245	1.9
129.06981	7.4
131.04922	23.5
131.08592	1.5
133.06499	1.5
137.02368	1.7
137.05978	30.8
138.03160	2.2
142.02602	3.5
142.06845	8.3
145.06470	4.3
146.11687	1.5
149.05980	12.0
149.09622	4.5
151.11143	1.9
153.05444	2.9
155.07016	1.8
157.06479	5.5
159.04376	2.1
159.08015	1.7
160.05246	2.8
161.06024	3.3
163.07507	8.1
163.14877	1.8
167.07057	23.8
171.06551	9.8
173.06001	1.6
174.06856	2.0
175.07541	14.8
177.05484	35.9
178.05756	1.8
181.04956	100.0
182.05322	4.0
183.06520	2.7
185.06021	1.6
189.09158	6.9
191.07024	1.8
191.14342	2.5
205.08621	4.4
209.08098	56.9
209.15257	7.3
210.08356	1.9
217.08612	8.1
221.08112	1.6
234.06828	1.5
235.09634	3.2
245.09598	5.4
249.09120	2.0
277.08691	3.2
309.11041	2.3
316.51770	1.4
341.13486	2.9
353.14011	1.4
359.15005	1.8
371.15057	6.0
389.15921	33.7
390.16351	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01872	25.6
65.03938	8.7
67.05490	2.4
69.03436	2.5
70.00660	6.6
70.01071	3.3
70.06577	5.0
72.08149	6.0
72.85146	1.8
79.05477	3.8
81.03400	1.6
81.04523	2.0
81.07048	2.6
82.06577	2.9
84.04499	3.0
84.08125	2.5
85.02904	7.1
86.00661	2.9
86.09695	9.8
88.02208	3.5
91.05495	8.5
93.07034	6.3
94.06559	2.1
95.04970	6.8
97.02994	1.5
97.06498	2.5
98.99131	1.8
99.01390	3.9
99.02664	4.9
100.02177	3.8
103.05466	21.1
105.03383	9.6
105.07047	2.3
105.57977	2.2
107.04954	7.3
107.08576	2.2
109.06533	1.7
109.08923	2.9
109.10091	1.7
110.03619	3.2
110.07172	2.0
111.04444	2.6
115.05441	2.0
116.05300	13.1
117.06991	2.2
119.08543	6.8
121.06498	5.0
122.03667	2.5
123.04420	4.0
125.05977	2.3
128.05234	1.8
128.06165	1.9
129.06985	5.4
129.10266	2.6
130.05038	2.5
131.04921	28.6
133.06386	2.5
137.05995	24.3
138.03094	3.2
138.68909	1.7
142.06850	100.0
145.06448	2.6
147.04410	3.0
147.08012	4.2
149.05949	9.1
149.09599	2.3
153.05461	2.5
157.06490	3.7
160.05275	2.5
161.05937	3.7
163.07559	10.9
167.07037	17.1
171.06433	2.7
174.06754	1.9
175.07483	10.9
177.05466	25.4
179.07031	2.7
181.04945	74.7
181.06535	3.7
183.06497	1.7
187.07465	2.1
189.09068	5.8
205.08640	2.9
209.08089	39.0
209.15538	3.8
209.17677	1.7
217.08574	4.7
235.09746	3.8
245.09550	66.4
246.09819	2.3
341.13956	3.3
359.15067	1.8
371.14822	5.7
389.17294	24.4
389.26477	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	389.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95439	1.2
52.72373	1.1
55.01869	2.3
55.05498	1.3
56.05045	1.5
61.02883	1.3
61.41105	1.2
67.05508	1.2
69.03416	2.6
69.07069	1.7
70.06579	6.8
72.08146	3.9
79.05484	2.9
81.03435	1.4
81.07069	2.7
83.06113	3.5
84.04050	1.4
84.04489	6.9
84.08138	7.1
85.02912	3.3
85.06506	1.7
86.09702	23.3
88.03985	2.3
91.05492	3.7
93.07032	2.9
95.04965	3.5
97.06561	1.1
101.07143	1.5
102.05534	1.1
103.05463	59.9
105.07025	1.5
105.80804	1.1
107.04944	2.9
109.02869	1.4
116.01661	1.7
119.04966	1.3
120.08083	1.8
121.06479	2.6
123.04409	2.1
124.07602	1.9
124.89766	1.2
125.07101	1.4
127.03941	1.8
129.06596	2.3
129.10275	1.7
130.05026	2.0
131.04922	100.0
133.06483	2.1
135.04465	2.1
137.02379	1.2
137.05995	2.7
141.10170	1.3
142.05005	1.1
146.11732	5.9
147.04399	5.1
149.05995	4.0
161.06024	2.6
163.07535	64.4
167.06993	7.3
173.12860	1.5
177.05481	4.6
181.04782	1.5
181.06175	1.5
181.08624	1.6
187.07539	1.8
189.04189	1.2
189.12312	1.6
201.12370	3.8
209.08160	3.2
210.11218	2.0
226.08191	1.5
227.12743	1.8
229.17815	1.5
244.09340	2.7
246.13487	1.8
261.14490	1.7
341.76447	1.5
383.97119	1.3
389.17969	12.3
389.26660	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	Renealtin A
Peak:m/z	Relative Intensity
55.01873	6.6
57.03426	1.9
57.25511	0.9
65.03944	0.9
67.05503	2.7
69.07050	0.9
70.05662	4.4
77.03942	1.2
79.05494	2.6
81.03428	1.8
81.07071	2.1
82.75336	0.7
83.04980	1.0
84.88151	0.7
85.02907	1.4
91.05475	2.7
95.04949	4.9
95.08607	1.4
97.02905	1.0
97.06541	2.9
103.05448	1.1
105.03389	1.3
107.04987	3.2
109.02881	2.8
115.05465	2.1
119.04926	6.9
121.02980	0.7
121.06548	1.1
123.04430	100.0
124.04758	1.1
127.03915	2.6
131.04948	3.1
133.06491	1.9
135.04431	3.4
137.02332	1.5
137.05971	5.1
139.03905	27.9
139.11165	1.1
141.09116	1.0
143.04933	3.2
147.03239	2.1
147.04408	33.1
149.05969	3.3
151.03903	42.0
151.07559	1.5
152.04269	0.9
152.96545	0.9
153.05588	0.9
160.98166	0.9
161.06003	11.1
163.03925	7.0
163.07495	1.1
165.05478	21.0
165.09198	1.1
167.07034	1.6
169.04974	2.9
173.05989	17.7
175.07600	1.4
176.04745	4.0
177.04037	1.8
177.05482	20.3
177.09143	1.0
179.06972	5.0
179.73961	0.9
181.04996	10.7
181.08636	3.4
189.05511	3.0
189.09152	1.0
191.07022	5.9
191.10757	1.1
193.05026	2.4
193.08609	49.8
194.08908	1.3
205.08624	5.1
207.06540	13.0
207.10341	1.5
209.08107	4.5
219.10149	20.2
220.10480	1.3
223.09712	1.4
231.10164	1.4
237.11194	5.9
249.07484	1.1
249.11325	1.5
264.75458	1.0
285.07672	1.6
291.08713	4.8
303.08612	9.0
311.09384	2.0
325.14474	1.0
327.12112	5.2
329.10190	18.4
329.13876	1.9
345.13351	27.3
353.13763	5.0
371.14926	12.3
389.15979	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	389.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03935	2.0
55.01863	3.0
55.05508	1.3
57.03425	1.2
61.74476	0.7
63.31235	0.6
65.03931	0.8
67.05489	2.4
68.99781	1.7
69.07063	1.1
69.53062	1.6
69.53472	5.0
77.03889	1.1
79.05478	2.1
81.03407	1.6
81.07048	1.4
91.05479	2.3
93.07024	1.4
94.64247	0.7
95.04971	3.5
95.08587	1.3
97.02914	1.0
97.06518	3.3
103.05461	0.9
105.03381	1.3
105.07053	1.2
107.04949	1.4
108.26606	0.8
109.02818	3.9
111.04424	1.3
113.09632	1.1
115.05442	1.5
117.07021	1.1
119.04935	9.0
121.06483	0.8
123.04419	100.0
124.04733	1.8
127.03909	2.4
129.06985	0.8
131.04938	1.5
133.06506	1.8
135.04414	3.3
137.02310	1.1
137.05971	2.6
139.03894	27.5
141.05469	0.7
143.04892	3.9
147.04407	32.3
149.05949	2.7
151.03889	39.8
152.04198	1.2
158.80247	0.8
161.05971	9.7
163.03885	8.6
165.04150	1.5
165.05472	20.3
167.07083	1.2
169.04926	4.2
173.05971	13.9
175.07637	0.9
176.04668	2.4
177.05457	15.7
177.09111	0.8
179.07053	3.8
181.04996	3.6
181.08607	3.2
187.07556	0.9
189.05438	2.7
189.09024	0.9
191.07056	5.5
191.10625	1.1
193.04955	2.3
193.08594	46.5
203.07018	1.0
205.08577	3.6
207.06494	12.3
209.08134	1.1
215.06985	1.2
217.08549	0.9
219.10146	17.1
223.09525	1.4
231.09966	1.1
233.04449	0.7
237.11197	6.2
249.07564	1.5
249.11192	2.0
262.09177	0.7
273.07648	1.5
285.07617	3.0
291.08633	4.1
303.08600	8.1
311.09180	3.0
327.12189	4.6
329.10217	11.8
330.59442	0.8
345.13290	22.9
353.13782	4.1
371.14905	9.2
389.15930	8.1
389.21780	2.0
390.16577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	Renealtin A
Peak:m/z	Relative Intensity
53.39231	1.0
55.01871	5.3
55.05506	1.9
57.03423	0.9
62.99099	0.8
63.12927	0.8
65.03946	0.8
67.05496	2.7
68.99780	1.0
69.07060	1.4
70.05898	3.8
70.06303	1.7
77.03938	1.1
79.05484	2.0
81.03417	1.8
81.07063	1.5
83.04959	1.0
89.12276	0.9
91.05476	3.0
93.07059	1.5
95.04961	4.1
95.08669	1.0
97.06511	3.7
98.21417	1.3
100.31996	0.9
103.05472	1.1
105.03387	0.9
107.04922	2.1
107.08589	0.8
109.02872	2.4
111.04417	1.3
115.05421	1.3
119.04948	7.5
121.06550	1.2
123.04424	100.0
124.04787	1.8
127.03896	3.1
131.04907	1.5
133.06491	1.5
135.04428	2.5
137.02371	1.8
137.05968	2.8
139.03897	26.3
143.04909	3.1
147.03227	1.5
147.04404	32.0
148.04761	0.9
149.05989	3.8
151.03903	41.3
151.07471	1.5
157.34557	0.8
159.04396	1.1
161.05989	11.2
163.03931	7.2
163.07553	0.9
165.05475	21.6
165.06857	1.4
167.07051	2.0
169.04970	3.5
173.02406	0.8
173.05983	16.1
175.07620	1.4
176.04701	4.4
177.05484	13.7
177.09076	1.0
179.07065	3.6
181.04980	5.0
181.08594	3.5
189.05482	3.3
191.07014	4.2
193.04944	1.5
193.08597	45.8
203.06822	0.9
203.10719	0.9
205.08601	2.8
207.06517	11.3
207.10135	1.7
209.08046	2.2
215.06960	1.3
219.10150	18.9
223.09618	2.5
231.10211	1.0
231.96776	0.8
237.11256	7.4
249.07620	3.2
249.11290	2.1
259.09567	2.1
275.07715	0.8
285.07510	3.0
291.08694	4.9
294.14203	1.0
303.08591	7.6
311.09174	1.5
327.12250	5.9
329.10172	12.0
333.39459	0.9
345.13293	22.9
346.13663	1.3
353.14011	4.2
371.14856	10.7
389.15897	9.6
389.21579	2.0
413.50348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	Renealtin A
Peak:m/z	Relative Intensity
51.28276	0.9
55.01862	6.3
55.05498	0.9
57.03439	1.1
65.03920	1.0
67.05488	2.0
68.99785	1.7
69.07043	1.2
69.77041	5.8
77.03884	0.9
79.05482	2.3
79.08936	0.8
81.03408	2.1
81.07030	1.5
90.43085	0.8
91.05476	5.1
95.04953	4.6
95.08585	1.4
97.02900	0.8
97.06515	3.0
101.56885	0.8
103.05462	1.4
105.03400	0.9
105.07030	1.5
107.04959	1.7
109.02856	3.8
111.04430	1.1
115.05469	0.9
119.04928	7.4
121.02844	0.9
121.06509	2.0
123.04421	100.0
124.04799	1.5
124.17725	0.9
126.85429	1.0
127.03911	2.2
131.04938	2.4
133.06451	1.0
135.04408	1.5
137.02284	0.9
137.05963	4.5
139.03896	27.0
141.09132	0.9
143.04915	3.2
147.04404	36.0
149.05974	3.0
151.03893	44.5
151.07469	1.5
152.04282	1.7
153.05499	1.3
157.06509	1.0
161.05977	10.6
163.03905	7.5
163.07581	1.7
165.05469	19.3
165.09125	0.9
169.04932	2.5
173.05984	14.0
175.03914	1.8
175.07582	1.2
176.04721	2.9
176.72018	1.0
177.05467	15.2
179.07011	2.8
181.04935	6.7
181.08594	3.5
186.33546	0.9
189.05457	4.4
189.08958	1.1
191.07051	5.1
193.08595	47.9
203.07059	1.0
205.08582	3.9
207.06528	12.8
207.10153	1.1
209.08023	1.4
215.06998	1.4
219.10136	19.4
220.10493	0.9
223.09557	2.1
227.66667	0.8
231.10217	1.3
233.04427	1.0
237.11206	6.0
249.11183	2.6
285.07523	2.4
291.08594	4.0
303.08630	7.0
311.09082	3.2
327.12289	3.9
329.10202	11.6
345.13303	25.3
346.14017	0.9
353.13824	3.2
357.22623	1.3
371.14932	11.2
389.15793	8.3
389.21738	2.6
390.15948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1593
Annotation	Simulanol
Peak:m/z	Relative Intensity
53.03938	2.8
55.01873	40.9
55.05487	1.3
55.87780	1.3
57.03422	1.7
58.10279	1.1
60.05627	2.1
65.03718	1.0
65.03944	10.8
67.05486	5.5
69.03411	2.5
69.07040	2.9
70.06611	2.1
70.74252	3.5
72.08139	4.4
79.05490	11.1
81.03377	1.5
81.07050	2.5
82.04178	5.2
85.02892	6.0
91.05476	6.5
93.03427	2.6
93.07042	3.0
94.04188	2.2
95.04980	7.6
95.08627	1.6
97.06522	28.9
103.05463	20.2
105.07027	3.4
107.04941	10.7
108.02095	2.8
110.03646	3.9
111.04435	4.2
114.10277	5.9
115.05421	3.2
117.07030	4.0
119.04911	1.6
121.06503	5.6
122.03625	6.3
123.04427	11.5
124.05221	2.3
125.05958	4.5
128.06215	5.2
129.07014	14.6
131.04922	24.5
131.08542	4.7
131.12914	3.0
133.06517	2.0
135.04419	1.8
137.02287	2.0
137.05975	43.1
138.03123	2.3
139.03902	3.6
141.06978	5.0
142.02620	2.2
145.02777	1.9
145.06477	7.2
147.04407	3.9
149.05977	11.6
151.03938	2.3
151.07503	2.2
153.05473	3.5
155.07054	2.4
157.06482	12.0
158.07310	3.0
159.04448	3.2
159.08099	4.6
160.05199	4.8
161.02333	5.0
161.05952	3.6
163.03915	13.3
163.07521	10.8
165.05516	2.6
167.07034	30.0
169.06479	3.2
171.06546	10.8
171.07921	2.0
173.02345	10.2
173.05977	2.9
174.06747	13.5
175.07549	14.9
177.05473	41.0
179.03429	1.8
179.06963	1.8
181.04956	100.0
182.05324	2.3
183.06517	9.0
185.06061	2.0
186.06639	2.8
187.07484	5.1
188.08272	3.0
189.05467	1.8
189.07205	2.9
189.09081	23.0
191.06996	3.4
191.08554	2.8
191.10608	1.4
193.08560	2.1
201.09126	8.7
202.07887	1.4
205.08577	3.6
206.07254	2.6
207.02881	1.8
209.08081	57.4
215.06964	13.5
217.06526	3.9
217.08635	6.1
218.07271	4.6
219.08009	5.3
219.10107	28.1
220.10631	1.8
221.07956	2.5
224.08185	1.6
231.08107	2.7
233.09511	3.1
234.06789	4.4
235.07489	4.3
235.09654	2.2
246.06789	2.7
247.07549	2.9
248.08200	2.4
249.09009	8.8
250.09950	1.5
251.10625	3.0
259.09692	20.9
261.09167	10.3
262.06378	1.8
262.09799	2.1
263.07037	2.1
265.08551	3.2
277.08618	23.4
278.09344	5.2
279.10168	3.9
281.11740	1.7
289.08444	3.7
291.10117	2.0
293.11688	6.2
294.08823	2.2
295.09882	1.6
306.08914	1.7
307.09604	3.5
309.11279	8.5
311.12714	3.3
321.11240	5.0
323.08722	1.5
325.10782	2.1
339.12308	24.6
341.13760	2.6
353.13876	3.1
359.14893	3.1
363.40738	1.6
371.10840	2.1
371.14908	20.1
372.19223	3.1
389.15881	36.0
389.21762	40.2
389.32169	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43630	3.4
52.37167	3.4
55.01873	12.4
56.37263	2.8
65.03941	7.0
67.05496	6.5
69.07061	5.2
69.28761	7.6
69.29182	29.8
70.06583	19.8
71.15720	3.1
72.08167	7.4
79.05485	6.2
81.03413	5.0
83.06127	6.8
83.46745	3.5
84.04517	18.4
84.08157	10.7
85.02905	4.2
86.09711	49.0
91.05503	10.5
92.05798	3.6
93.05946	3.0
93.07045	4.0
95.04971	7.4
98.20707	7.2
100.02182	4.0
103.05473	62.5
107.04995	7.6
116.05325	12.0
119.04932	5.8
119.08556	3.4
123.04472	4.8
131.04930	100.0
133.46426	3.1
137.06010	14.5
142.06859	80.5
145.02908	3.9
145.06393	3.1
146.11761	4.1
147.04436	13.4
149.05994	8.9
151.04008	4.5
161.05902	4.0
163.07547	58.9
167.07066	18.5
173.12909	7.1
175.07613	9.1
177.05458	17.9
181.04919	36.7
189.12479	4.2
191.07083	3.4
195.06474	4.1
201.12367	7.4
209.08087	15.5
211.09669	5.7
217.08627	3.7
245.09567	61.9
269.10538	3.5
282.01880	4.0
301.74261	3.7
339.12363	4.0
389.15918	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	389.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35963	1.8
53.03934	2.3
55.01868	35.3
65.03941	9.7
67.05499	6.0
69.03428	3.4
69.07068	3.0
70.06599	2.5
71.58555	3.9
72.08158	3.0
79.05495	8.6
81.07069	2.1
82.04193	4.2
85.02908	6.1
91.05487	7.6
93.03424	4.5
95.04964	10.3
97.02897	2.8
97.06525	17.3
103.05463	16.7
105.07030	3.9
105.64503	2.5
107.04955	11.4
108.02122	3.3
109.02844	2.5
110.03670	7.0
111.04415	6.3
114.10281	4.1
115.05441	3.0
117.07040	3.0
119.04930	4.5
121.06502	5.4
122.03637	5.5
123.04420	11.4
125.06008	5.6
128.06209	4.9
129.07025	16.9
131.04924	23.4
131.08569	4.1
133.06514	3.0
137.05972	48.2
138.03113	4.2
139.03877	3.8
141.07007	3.7
142.02617	3.6
144.05679	2.4
145.06505	4.4
147.04402	7.5
149.05934	10.3
151.03909	3.6
151.07538	3.6
153.05467	3.9
157.06485	15.2
158.07339	3.4
159.04483	2.9
159.08028	3.7
160.05148	4.5
161.05997	5.5
163.03885	6.3
163.07590	8.6
167.07027	28.5
170.07184	2.1
171.06532	11.7
173.02364	4.1
173.06042	3.0
174.06760	13.2
175.07509	16.9
175.08553	1.6
177.05470	44.4
177.09198	2.4
181.04951	100.0
183.06532	8.0
186.06688	2.2
187.07571	7.4
188.08286	4.4
189.05493	8.3
189.09087	26.7
191.07028	3.8
191.08658	3.3
191.10468	2.2
201.09155	6.1
205.06523	4.3
205.08475	3.9
206.07210	2.5
209.08072	49.2
215.07042	7.2
217.06490	6.4
217.08618	7.8
218.07335	6.4
219.08057	7.3
219.10201	34.3
231.08139	3.3
233.09703	3.7
234.06783	8.0
235.07483	5.0
235.09668	3.9
241.09712	4.2
247.07533	5.8
248.08316	2.8
249.09122	14.1
251.10663	3.4
255.11292	6.9
259.09537	9.9
261.09073	11.2
262.09525	2.8
263.07025	4.3
265.08554	2.9
277.08615	24.9
278.09293	5.8
279.10098	6.0
283.10788	4.0
289.08652	2.5
291.10043	3.8
293.11725	6.2
294.08954	3.5
307.09747	2.8
308.10269	3.1
309.11093	12.3
311.09860	3.6
311.13104	2.5
314.20291	2.4
321.11194	8.2
329.11243	8.2
339.12329	29.9
340.12979	2.5
341.13892	4.7
357.10840	6.3
359.14459	2.1
371.10947	5.1
371.14969	20.1
389.11761	2.4
389.15924	28.3
389.21786	28.2
389.32663	2.2
390.16678	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01630	2.6
55.01873	41.3
55.05508	14.4
57.03422	5.7
58.99576	19.7
63.40390	2.2
65.03934	7.1
67.05508	25.3
68.99780	3.5
69.03418	7.0
69.07066	6.8
69.53288	5.3
69.53703	12.1
70.06590	9.9
71.01360	9.4
71.04997	4.1
72.08157	22.2
73.01131	4.8
74.00659	3.8
76.02225	60.5
76.03992	3.8
79.05491	17.4
81.03418	7.6
81.07048	29.9
83.01321	2.0
83.04968	8.9
83.08603	5.4
84.04511	11.7
84.08141	65.1
85.01130	11.2
85.02901	4.0
86.09690	5.1
86.39494	1.9
86.99053	9.6
87.00835	3.4
87.02681	8.6
88.02219	3.3
91.05472	26.9
93.07035	16.0
95.04965	22.5
95.08604	37.2
96.08118	4.2
97.02918	2.8
97.06522	8.7
99.04453	3.1
100.11288	3.5
103.05484	2.2
105.07030	8.7
107.04984	5.6
107.08585	6.1
109.02892	5.0
109.06525	14.4
109.10143	6.3
111.04434	4.1
111.08086	8.2
112.03965	10.5
113.02353	7.2
113.04226	25.1
116.01678	45.0
117.07008	3.9
119.04935	23.9
119.08580	8.7
121.02875	3.6
121.06502	5.8
123.04415	7.2
123.08041	17.3
125.02335	5.8
127.03918	3.1
129.06996	5.0
130.05009	5.7
130.06877	39.7
130.08621	28.2
131.04935	3.3
135.04416	2.7
135.08092	3.1
137.02357	2.6
137.05962	6.1
137.09621	8.3
139.03900	37.8
141.05502	2.7
142.04990	2.1
143.03398	3.0
144.01131	21.8
145.06174	5.8
147.03246	3.0
147.04410	54.3
147.08038	10.1
148.04727	3.6
149.05910	2.5
151.03835	4.3
153.09109	3.9
155.03429	4.7
156.08469	11.4
157.04991	5.0
157.06427	2.5
162.02191	59.8
163.03900	6.1
163.07545	4.3
165.05463	8.4
165.09071	10.5
167.07057	10.5
169.04993	6.1
169.06871	2.4
175.07552	4.2
177.05489	3.1
179.04851	100.0
181.05005	5.1
181.08589	40.0
183.10204	5.0
188.06985	2.5
193.08633	9.0
196.09621	2.7
197.05847	2.0
207.06488	2.5
208.06897	4.4
211.09645	70.5
213.05791	6.2
215.07004	4.2
216.06900	35.2
225.05768	3.2
231.07959	8.4
233.09544	37.0
237.10396	2.3
239.07370	3.8
243.06781	2.4
245.09525	4.5
256.10129	2.4
259.09558	3.9
265.09674	5.3
286.11139	16.0
293.08972	4.8
308.25980	3.5
321.08539	2.2
326.27975	3.4
339.09738	5.4
341.11429	2.3
357.11023	3.8
371.29001	8.2
389.13574	28.1
389.21500	15.7
396.09241	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.7
51.02388	0.7
55.01860	2.0
57.20665	0.7
61.02941	0.8
65.03927	2.2
67.05482	1.3
69.03412	1.7
69.76698	4.2
70.06586	2.0
70.42979	0.7
72.08121	0.9
76.03157	0.7
77.03936	0.8
79.05472	1.4
81.07033	0.8
84.08112	1.4
85.02885	3.0
86.09713	1.6
91.05478	33.9
93.07026	0.8
95.04949	1.7
95.08545	0.7
103.05451	1.5
105.03418	0.9
105.06995	1.1
107.04956	1.3
107.08597	0.9
111.04443	1.1
118.04173	0.9
119.04943	44.8
123.04394	0.9
123.08033	1.3
124.08369	0.9
127.03871	0.8
129.03427	0.8
131.04926	1.6
132.02084	1.7
135.04437	1.1
136.05136	1.0
137.05971	4.2
138.06317	1.8
139.03839	1.4
145.02856	1.1
145.04948	1.3
146.03650	0.8
147.04404	35.7
149.02361	1.6
149.05997	0.9
151.03883	0.8
151.07535	2.3
152.07877	1.2
155.06018	1.0
157.03963	3.3
163.03908	1.9
163.11182	0.9
164.04576	1.8
164.11559	1.3
167.07123	1.8
169.07631	1.5
175.03908	56.6
176.04471	0.9
177.05461	1.5
179.07047	2.7
181.04947	3.0
183.05550	1.2
190.05855	0.7
193.07442	1.0
195.05545	2.3
197.07129	1.8
207.06526	100.0
208.06755	1.2
208.14113	3.3
209.08250	0.8
213.06607	2.1
221.07109	1.1
225.06590	3.0
229.06087	1.3
239.08063	1.6
249.06499	1.1
271.07239	0.9
272.27371	0.7
285.08633	2.4
295.07184	1.3
313.08133	3.0
314.11218	0.9
324.53223	0.9
328.09262	3.4
339.12427	1.0
358.13779	0.9
370.10263	3.6
388.10928	4.0
388.20660	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.0
57.03430	2.3
67.05485	1.9
69.03445	3.6
70.06578	3.0
71.04971	2.4
71.58264	2.3
72.08157	3.2
77.03963	1.5
79.05487	2.9
81.03409	2.3
81.07045	3.9
84.08147	3.6
85.02913	8.8
86.09706	2.7
87.83772	1.5
91.05456	7.3
95.04952	7.0
95.06012	1.6
95.08584	2.2
97.06492	3.2
98.09669	2.3
103.05426	2.4
104.10732	1.7
105.06992	5.9
107.04962	3.2
115.05410	2.0
119.04941	9.4
121.02852	3.9
123.04389	3.7
123.08055	5.0
124.08479	2.2
127.03915	2.9
129.06903	2.3
131.04851	1.8
131.95078	1.6
133.06432	1.7
137.05974	14.0
138.06291	5.0
139.03867	3.6
140.04930	6.5
145.05019	1.6
145.06398	1.9
147.04410	23.8
149.05962	2.1
151.03831	3.0
151.07477	5.1
152.07790	4.2
154.06483	4.4
155.04842	2.6
155.06027	29.5
157.07578	1.8
163.03818	3.5
163.11151	3.2
164.04282	2.2
164.11505	2.5
165.05435	3.5
167.05913	11.3
167.07216	3.6
168.06836	3.8
169.07605	57.0
170.05937	4.4
175.03833	1.9
176.76382	1.7
177.05424	4.8
179.06026	25.3
181.04932	11.1
181.07567	4.5
182.05975	2.9
182.08296	3.1
182.12485	2.0
183.05531	30.0
183.09148	3.6
184.07542	3.9
185.07130	16.5
189.05435	3.6
189.09181	2.2
189.12624	2.1
193.07579	24.8
194.06067	3.1
195.05522	44.4
196.06308	24.1
197.07097	39.8
198.05531	10.2
201.06601	3.2
207.05464	13.5
207.13689	3.1
208.06378	3.1
208.14142	7.6
209.07034	5.1
210.07819	2.2
211.05110	3.2
211.08633	6.4
213.06586	41.3
221.07115	34.1
223.04985	4.5
225.06586	80.2
226.06860	4.0
227.08055	2.8
229.06078	31.9
237.06577	7.2
238.07401	7.7
239.04517	2.9
239.08154	37.3
241.06075	7.1
243.07634	9.4
249.06572	12.9
253.06081	7.4
255.07681	2.3
256.08246	1.8
257.05658	9.0
265.06146	4.0
266.06741	2.2
267.07629	26.3
269.05463	6.6
271.04321	3.7
271.07141	60.4
271.10059	3.7
272.07495	2.1
277.06046	16.7
282.08713	2.3
283.07159	3.3
285.08679	55.0
286.08823	2.0
295.03864	3.2
295.07132	50.5
313.08151	71.8
324.09671	5.1
328.09280	97.9
329.09402	2.6
331.09198	10.4
342.10764	4.2
343.11005	2.0
352.09171	5.4
358.13705	2.9
370.10318	94.9
371.10782	7.4
381.42673	1.7
388.11282	100.0
388.19580	2.9
388.29556	1.7
389.11835	7.6
389.16550	2.0
389.21411	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
51.05258	1.3
53.03949	4.5
55.01875	3.1
55.05507	2.5
57.03432	5.9
57.07074	3.6
59.04996	4.4
60.59602	1.4
61.02921	11.3
67.05501	4.3
67.06632	1.4
69.02054	1.4
69.03425	26.0
70.06609	1.9
71.04562	1.4
71.04941	5.3
73.02912	4.9
79.05482	6.3
81.03413	11.8
81.04541	6.2
81.07056	6.8
83.04971	3.2
85.02905	74.2
85.06536	1.9
86.37775	1.4
87.04485	4.6
91.03924	3.9
91.05470	4.5
91.72275	1.7
93.07033	6.9
93.75069	1.5
95.04974	5.9
95.06078	3.8
95.08607	7.8
97.02900	24.2
97.06541	4.0
99.04460	4.8
105.07019	6.0
107.08601	7.2
109.02862	7.0
109.06531	5.0
112.24477	1.4
117.07012	1.7
119.08598	6.2
121.06498	3.5
121.10146	5.9
122.03670	4.3
123.08061	54.0
125.05975	7.5
125.07089	3.0
127.03918	22.0
131.08595	3.0
133.06477	3.1
133.10150	5.1
134.07185	1.5
135.08047	2.4
135.11699	3.9
135.88341	1.7
137.05968	39.1
143.08231	5.1
144.55000	1.4
145.04950	33.3
145.10153	4.5
147.11688	4.9
149.09653	3.5
151.03946	3.5
151.07536	100.0
155.36562	1.5
161.13290	2.1
163.06073	2.6
163.11182	63.8
167.07066	8.1
181.04955	5.1
181.12242	30.2
189.12733	21.6
191.14334	3.4
207.13795	70.1
209.15417	5.4
225.14792	8.0
355.22394	6.3
357.13312	4.2
387.14465	9.3
387.20123	41.8
387.24786	5.8
388.20773	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03934	4.8
55.01855	6.2
55.05501	6.8
55.16132	1.9
57.03444	8.9
58.31383	1.9
61.02913	7.1
61.95597	1.8
67.05485	7.8
69.03429	22.8
69.07056	5.4
69.49646	13.0
70.06572	2.0
71.04978	3.6
73.02914	4.0
79.05471	7.7
81.03426	9.0
81.07048	12.4
83.04957	2.1
84.08132	2.5
85.02899	47.0
85.03424	2.4
85.06525	2.6
87.04438	4.3
91.03938	2.9
91.05474	17.2
93.07042	14.3
95.04951	2.0
95.08607	8.7
97.02895	16.8
97.06505	3.3
98.21231	7.3
99.04430	3.3
103.05435	5.4
105.07029	55.2
107.08591	12.7
109.02849	4.8
109.06512	6.3
109.10123	4.5
115.05485	2.5
117.07001	4.5
119.08570	39.9
121.06487	5.9
121.10140	7.5
122.03651	3.8
122.07268	2.8
123.04396	3.6
123.08067	29.5
125.05909	2.0
127.03918	9.5
133.10089	6.4
135.08049	15.5
137.05966	48.8
139.03911	3.0
145.04948	10.6
145.10136	5.3
147.08107	1.8
147.11684	82.1
148.12022	2.4
149.09615	10.7
151.07526	26.9
151.11160	5.8
161.13245	4.7
163.03871	4.0
163.11150	17.2
165.12737	72.1
167.07043	8.8
175.07562	2.0
177.12685	3.8
181.04951	6.6
181.12224	11.8
189.12706	6.1
207.13802	100.0
225.14844	16.7
271.05975	2.1
357.13324	7.2
387.14398	9.1
387.20099	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
52.49636	3.9
53.13261	3.4
59.42698	3.7
64.58916	3.7
67.05499	6.3
69.97966	23.8
70.06592	100.0
71.06920	27.6
72.08162	8.9
81.54424	4.6
83.06100	5.0
84.04515	4.1
84.08153	7.3
85.02912	18.1
86.09709	8.1
91.05488	7.1
93.07040	5.8
95.04967	4.2
95.08608	36.2
97.02876	4.7
105.07018	7.5
107.08569	5.4
110.07154	6.4
113.06037	6.7
119.04901	4.9
119.08588	6.7
121.06448	4.5
121.10144	6.4
123.04440	11.2
123.08065	16.7
123.11691	9.6
124.04769	4.4
127.25908	3.9
133.60898	4.1
135.11649	4.8
137.05952	6.1
147.04449	11.8
149.09647	11.2
150.06337	6.6
151.07535	9.3
163.11154	6.7
165.12785	3.9
167.06978	8.8
175.03925	5.7
177.05450	35.2
178.05769	30.7
189.12689	11.2
189.54260	3.8
207.06491	10.0
207.13846	28.6
235.11497	4.6
330.10516	11.1
387.16147	32.6
390.88446	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	387.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
54.21666	1.4
55.01851	2.7
55.05499	6.7
56.05049	3.9
57.03433	5.6
59.20913	1.7
60.04513	4.7
61.02919	7.1
67.05513	2.5
68.96333	1.4
69.03426	15.8
69.07076	4.2
69.88653	4.6
69.89073	4.7
70.06589	28.5
71.04990	2.1
72.08150	22.8
73.02891	4.3
74.06067	2.5
76.00287	1.7
76.02209	1.9
77.33415	1.8
79.05481	8.4
80.04986	1.9
81.03410	6.1
81.04535	4.1
81.07059	21.1
83.04975	5.4
84.04510	16.3
84.08142	17.8
85.02902	51.0
85.06543	4.1
86.06053	2.2
86.09705	22.0
87.04441	1.9
91.05502	8.5
93.07034	8.7
94.06583	2.4
95.01333	3.1
95.04960	8.0
95.08625	3.6
96.04482	2.5
96.08102	1.8
97.02888	15.4
97.06528	4.0
98.06005	2.0
99.04477	2.8
105.07039	11.0
107.04955	2.5
107.08578	11.6
109.02894	3.7
109.06502	6.6
110.07156	5.4
111.05574	5.7
114.05505	5.0
116.01659	5.5
117.06998	2.3
119.04943	3.5
119.08601	8.6
120.04448	10.9
120.08105	1.9
121.04829	3.3
121.06516	5.9
121.10152	11.8
123.04424	4.2
123.05552	4.4
123.08047	12.4
124.03976	3.6
125.05998	4.7
127.03950	8.6
127.04916	1.9
129.06938	1.8
129.10214	5.7
130.05011	6.9
130.08627	3.5
131.08507	2.8
133.06505	4.5
133.10143	3.8
135.08034	2.2
135.11674	8.3
136.07619	3.8
137.06071	3.1
139.07532	4.2
139.21307	1.7
141.06575	4.6
142.03224	3.9
142.04955	11.3
144.01137	2.0
145.02867	1.9
145.04933	11.0
145.10126	16.2
147.04414	3.6
147.11589	5.3
149.05957	2.0
149.09601	3.8
151.07541	30.2
159.11305	5.5
161.13335	3.0
163.11171	100.0
167.07034	78.1
171.11649	2.6
177.05426	5.4
180.87405	1.6
181.04990	2.1
181.12222	25.1
184.07346	3.9
189.12735	13.9
193.08621	3.4
206.73694	1.6
207.13788	38.3
209.94725	1.9
210.11189	18.1
211.09781	2.1
223.13191	2.1
225.12364	7.3
225.14803	3.6
226.10794	2.5
259.37421	1.6
313.12341	2.3
351.97925	1.8
369.20096	10.5
373.66522	2.0
387.15918	8.9
387.20410	6.6
388.15396	6.2
388.19855	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03940	0.6
55.01856	1.0
55.05492	0.6
62.04184	0.4
65.03918	1.5
66.04713	0.5
67.05478	1.1
69.07062	0.6
69.70024	0.4
70.06569	0.4
70.98043	1.3
76.76151	0.4
79.05463	1.5
81.03416	0.6
81.07045	0.6
82.63219	0.4
84.08127	0.4
85.02898	1.1
91.05462	2.0
93.07035	0.8
94.04179	2.9
95.04953	1.7
95.08588	0.6
97.06502	0.6
98.21085	0.6
103.05463	2.8
105.07020	0.9
106.04101	0.6
107.04944	1.2
109.06506	0.7
110.03613	0.6
111.04438	1.2
115.05455	2.7
117.07011	1.8
118.04093	0.6
119.04938	0.8
121.06487	0.8
122.03650	8.1
123.04435	2.4
125.05987	0.8
129.07014	0.6
131.04915	2.4
133.02939	0.4
133.06476	0.8
135.04422	1.1
136.06146	0.8
137.05972	100.0
138.06332	0.7
139.03909	3.7
143.04929	2.8
144.08176	0.5
145.06465	2.4
146.06017	0.5
147.04393	0.7
148.05180	1.4
149.05988	0.6
151.03893	8.5
151.07520	0.5
153.05487	0.8
155.05966	0.6
161.05994	1.3
162.20349	0.4
163.03909	1.9
163.07559	2.4
165.05467	0.6
167.07036	12.9
171.06508	1.2
173.05960	2.9
175.07562	1.6
177.05437	0.7
181.04953	20.3
182.05208	0.5
189.05347	0.6
191.07018	7.5
191.08582	0.7
193.08618	1.2
195.06453	0.5
203.07013	2.4
205.08522	2.7
219.10147	1.0
227.06964	0.6
233.08112	1.7
235.09668	2.7
271.05948	0.7
307.09634	0.6
316.59012	0.4
331.39047	0.5
337.10104	0.5
341.13763	0.9
351.12302	1.1
357.13303	12.8
369.13434	1.2
387.14441	20.7
387.18387	0.7
388.14825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.83836	0.5
53.03940	0.7
54.13233	0.5
55.01857	1.5
65.03938	2.6
67.05482	2.5
69.03423	1.3
70.06573	1.7
70.78179	1.6
75.12674	0.5
79.05480	3.1
81.03429	0.6
81.07033	2.0
82.04205	0.9
83.04938	0.7
84.08163	0.6
85.02905	1.6
87.88371	0.5
88.03948	0.5
91.05472	3.7
93.03439	0.6
93.07037	1.3
94.04193	3.4
95.04955	2.8
95.08577	0.8
97.06516	1.5
98.20881	0.6
103.05471	5.4
105.07010	2.5
106.04176	2.7
107.04964	3.5
109.02881	0.6
109.06493	1.0
110.03659	1.3
111.04442	1.7
115.05447	2.2
117.03371	0.6
117.07013	3.3
118.04158	0.9
119.01611	1.0
119.04934	1.7
119.08617	0.7
120.05683	0.6
121.06493	1.9
122.03642	8.0
123.04430	8.5
124.05209	0.7
124.76518	0.6
125.05999	0.9
129.07031	0.9
130.04195	0.6
131.04929	5.7
132.05705	0.9
132.08090	0.8
133.06516	3.2
134.03674	0.8
135.04417	2.4
136.06267	0.6
137.05974	100.0
138.06288	1.0
139.03899	6.9
142.02571	0.6
143.04930	3.1
144.08116	1.2
145.06490	3.6
146.03534	0.7
147.04420	1.9
147.08035	0.9
148.05199	1.8
149.05989	6.1
151.03912	11.4
151.05052	0.6
151.07506	0.9
153.05508	0.7
154.20247	0.6
155.06029	0.8
159.04367	0.6
160.05215	1.1
161.05966	3.5
163.03889	6.0
163.07549	4.2
165.05510	1.2
165.09106	1.1
167.07040	18.0
171.06506	1.6
173.05980	4.3
174.06847	0.6
175.07550	2.4
176.04770	0.8
177.05463	6.8
179.07051	1.3
181.04951	22.5
181.06514	1.2
187.07497	1.3
189.09120	1.2
191.07013	11.5
192.07753	1.1
193.05054	0.7
193.08588	1.3
195.06526	0.7
197.05829	0.6
199.18542	0.5
203.07033	2.0
205.08530	3.8
207.03169	0.6
207.06490	1.0
215.07080	1.1
217.08563	1.1
219.10208	2.4
233.08113	1.4
235.07729	0.6
235.09651	2.9
247.07576	0.7
249.09109	1.0
262.06531	0.6
276.07837	0.6
277.08585	0.8
293.07999	0.8
301.07114	0.9
307.09778	0.8
325.10846	0.9
337.10703	1.0
343.11743	1.2
351.12189	1.2
355.11948	0.8
357.13330	11.5
369.13373	0.9
387.14499	22.5
387.19693	1.6
411.07349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1282
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03922	0.2
54.39270	0.2
57.03432	0.2
68.03971	0.2
69.03429	0.4
70.06573	0.9
70.64561	0.5
72.08134	0.9
78.04722	1.7
79.05492	1.1
79.97274	0.2
81.03443	0.3
81.07053	0.5
84.08112	0.4
85.02892	0.7
86.09713	1.6
91.05475	0.8
93.07027	0.6
95.01319	1.2
95.04966	0.7
103.05460	0.6
105.03345	0.3
105.06995	1.2
106.04193	1.0
107.04943	1.3
115.05450	0.3
120.04453	0.3
121.06495	0.8
123.00796	0.2
123.04433	4.4
124.05193	1.4
127.03867	0.2
129.10242	0.4
129.86909	0.2
132.83064	0.2
133.06471	0.8
134.03596	0.4
137.05934	0.7
141.01796	0.6
141.06598	0.2
147.04399	0.2
147.25038	0.2
149.05991	1.5
151.03882	1.0
152.04686	1.6
161.06015	1.3
163.11160	0.5
165.05556	0.2
166.06268	0.4
167.07039	100.0
168.07404	1.9
177.03851	0.3
179.05307	0.2
179.07069	0.4
181.08588	1.4
181.12137	0.2
185.16508	0.3
189.12778	0.2
193.08604	3.6
207.13864	0.3
211.09654	2.3
250.89145	0.2
262.27737	0.2
281.97049	0.2
306.17163	0.2
323.11340	0.3
369.20010	0.2
387.16394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
50.77044	0.5
54.64383	0.5
55.01854	1.5
55.05507	0.6
60.04504	0.6
65.03934	2.3
67.05486	1.5
70.02908	0.5
70.06600	0.7
70.97957	1.5
72.08118	0.6
73.94174	0.5
79.05498	2.5
81.03400	0.6
81.07053	1.7
85.02884	1.6
88.03988	1.9
91.05470	2.7
93.03377	0.7
93.07047	1.7
94.04182	3.9
95.04961	1.9
95.08618	0.7
95.26450	0.5
97.06537	1.3
97.53152	0.5
103.05471	3.9
105.03387	0.6
105.07016	1.6
107.04934	2.7
108.02099	0.8
109.06503	0.9
111.04421	1.4
115.05443	2.2
117.07018	2.6
118.06560	3.2
119.04944	0.7
121.06528	0.7
122.03650	9.9
123.04421	2.8
123.08070	0.6
124.05197	0.9
125.06007	0.9
129.06984	0.6
130.04141	0.5
131.04938	3.8
132.08073	4.9
133.02823	0.5
133.06509	0.8
135.04422	0.9
135.08052	0.8
136.06161	0.6
137.05974	100.0
138.03214	0.5
138.06267	1.0
139.03934	2.4
143.04929	2.9
144.08078	14.8
144.09219	0.8
145.06497	3.3
146.06004	5.6
147.04420	1.0
148.05191	1.9
149.05989	0.9
151.03914	10.0
151.05048	0.8
151.07561	2.2
153.01854	0.9
153.05469	1.4
155.06058	1.1
161.06018	1.4
163.03912	1.9
163.06372	0.7
163.07527	3.6
165.05476	0.7
167.07030	13.6
169.08647	2.3
170.06003	0.6
171.06602	1.1
173.05968	4.0
173.10800	1.0
175.07570	1.8
181.04948	24.1
181.24573	0.5
182.05353	0.5
188.07034	4.8
189.09055	0.6
191.07034	9.8
191.08759	0.6
192.07439	0.5
200.12794	1.3
203.06990	2.9
205.08632	2.3
207.06482	0.7
210.11298	0.9
212.30754	0.5
217.09767	2.7
219.10097	0.8
233.08113	1.4
235.09683	2.2
271.06003	8.2
300.10040	0.5
307.09723	0.6
325.10477	0.8
327.12759	0.6
337.10626	1.2
339.12253	0.5
349.59882	0.5
351.12408	0.7
355.12006	1.0
357.13287	10.9
369.13693	1.1
387.14386	20.1
387.19196	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	386.1597
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
53.03947	0.4
54.03466	0.6
55.01870	0.7
55.04247	0.3
67.05497	0.5
68.05019	0.3
68.99790	1.3
70.06590	100.0
70.82564	0.8
71.06921	0.8
72.07786	0.3
72.08152	1.6
76.99499	0.3
77.03957	0.4
77.46964	0.3
79.05476	0.8
81.03426	0.5
81.07063	0.8
83.06099	0.6
84.04508	0.5
84.08151	0.5
91.05479	1.8
93.04521	0.3
93.07054	1.1
95.04983	0.8
95.06121	0.5
97.02927	0.4
99.81019	0.3
103.05475	1.1
105.07038	0.4
107.04973	1.3
109.06503	0.4
110.07168	3.8
119.04944	2.2
119.08557	0.4
121.06525	2.3
123.04428	12.0
123.08060	0.3
131.04918	0.8
133.02872	1.0
133.06519	0.4
135.04407	1.8
137.05974	1.2
147.04410	8.4
148.01936	0.3
149.05962	4.9
151.03839	0.4
156.07747	0.4
159.04413	0.9
161.05991	0.9
165.05461	4.1
167.07109	0.9
175.03873	0.7
175.07507	0.8
177.05469	53.1
178.05830	0.9
179.07091	0.6
189.05518	0.5
201.05382	0.4
202.05681	0.4
207.06505	1.3
224.06880	0.8
234.11209	4.6
322.21179	0.9
325.10614	0.8
329.10190	10.6
330.10342	0.5
368.21576	0.8
386.15952	29.3
386.22690	1.6
387.16153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1597
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
50.34969	0.6
54.03456	0.7
55.01845	0.7
55.05497	0.9
60.04522	1.0
68.99816	0.9
69.03437	0.8
70.06589	100.0
71.06921	0.7
72.08154	3.2
79.05491	1.0
80.88575	0.7
81.07076	1.3
84.04491	1.6
84.08144	2.1
85.02900	1.6
86.09690	1.4
91.05485	2.2
93.07039	1.8
93.50794	0.6
95.04946	1.4
103.05468	1.2
105.07004	1.3
107.04946	1.4
107.08575	1.0
110.07153	3.9
119.04944	3.0
119.08630	0.6
120.04487	2.5
120.08071	1.0
121.06527	1.8
123.04420	10.2
123.08041	0.7
129.10258	0.7
135.04440	2.0
136.07549	1.0
144.10191	0.8
147.04425	7.0
149.05980	6.1
156.07692	1.3
161.06018	0.8
165.05463	3.6
167.07085	2.5
177.05461	53.5
201.05475	1.1
207.06558	1.5
234.11214	3.5
267.73575	0.6
329.10196	11.0
386.15933	26.8
386.21164	1.5
387.16016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.5
56.96563	0.8
57.03432	0.6
60.04515	1.7
60.43356	0.6
61.02919	0.9
62.06087	0.6
69.03424	3.8
70.06599	3.1
71.57555	1.1
72.08132	1.7
73.02911	0.5
77.10759	0.5
81.03417	1.3
81.07046	1.1
84.04516	1.3
84.08140	2.0
85.02900	8.9
85.89495	0.5
86.09689	1.2
87.04452	0.9
89.03898	3.1
91.05478	0.8
95.04954	0.8
95.38174	0.5
97.02880	3.4
99.04455	1.0
107.04957	3.8
109.02856	1.2
110.07158	2.6
117.03380	4.1
119.04951	1.1
119.08624	0.7
120.04466	2.3
120.08094	1.4
123.04402	1.5
127.03898	1.7
129.10239	1.3
135.04411	13.7
137.06009	0.6
138.06567	0.5
145.02841	9.6
145.04980	1.1
145.06441	1.1
147.04396	1.6
149.08397	2.7
161.06055	0.7
162.09042	1.3
163.03900	100.0
164.04208	1.2
167.07016	11.3
177.05489	1.3
203.07407	0.7
206.08115	2.3
224.09184	11.2
226.15517	0.8
272.16116	0.6
345.97101	0.6
368.13107	0.8
368.23874	0.7
386.14450	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93829	2.5
54.89104	2.5
55.01864	2.8
57.03436	2.9
60.04526	9.4
69.03422	9.3
69.85234	9.2
69.85647	6.6
70.06593	19.3
72.08139	7.9
79.05495	3.6
81.03429	6.0
81.07060	5.0
84.04511	10.3
84.08137	11.0
85.02904	22.3
86.09708	9.8
89.03925	3.9
91.03985	3.3
91.05468	10.1
97.02904	8.0
98.09689	3.4
99.40123	2.8
102.05562	6.5
102.81714	2.3
103.05497	3.1
105.07030	3.4
106.07394	2.4
107.04949	41.4
109.02907	3.2
110.07164	6.8
116.07066	3.1
117.03344	3.1
117.07029	3.6
119.04951	11.4
119.08576	5.4
120.04498	4.9
120.08069	4.8
121.06499	3.8
123.04469	15.2
124.05215	2.7
127.03946	6.2
127.72426	2.4
129.10251	4.2
132.56088	2.6
135.04416	33.8
136.07574	4.0
137.05965	5.2
138.09140	5.0
139.03920	3.0
145.02844	10.8
145.06464	13.2
146.06009	4.0
147.04408	9.5
148.07594	5.0
149.08354	44.1
160.07597	11.6
161.06039	5.2
162.09167	13.6
162.96758	3.1
163.03905	100.0
165.05481	4.9
167.07045	75.5
173.04671	3.0
177.05522	6.4
178.08633	4.4
181.04958	5.2
188.07085	10.4
189.05449	5.5
193.08647	4.0
194.07045	5.9
203.07501	5.7
203.86543	3.1
206.08109	27.3
224.09140	31.3
286.04800	3.1
324.14252	4.0
336.97803	2.6
368.13312	4.6
386.14328	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	385.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.3
55.01627	2.8
55.01868	23.4
55.05509	100.0
57.03434	25.6
57.07053	3.2
59.04990	2.5
65.03920	3.6
67.05505	74.1
69.03413	7.2
69.07066	23.0
69.52760	2.1
71.04982	5.0
71.08629	28.3
76.74939	2.0
79.05492	70.4
80.25872	2.1
81.03416	20.3
81.07054	66.0
83.04977	33.2
83.08147	3.4
83.08618	51.4
85.02896	4.9
85.06523	5.9
91.05482	35.4
93.07038	48.3
95.04970	44.6
95.08607	28.0
97.02867	3.1
97.06519	9.6
97.10165	64.7
98.10468	2.0
99.04435	5.3
99.08088	30.7
105.07030	24.3
107.04951	15.4
107.08591	44.2
109.06491	8.5
109.10165	22.0
111.04435	34.0
111.08072	17.5
113.06000	2.2
117.07005	15.3
119.08565	18.9
121.06501	5.9
121.10135	19.8
123.08068	4.3
123.11728	5.5
125.05982	2.8
125.09626	67.2
129.06989	5.7
131.08580	14.7
133.06517	2.6
133.10104	7.4
135.08069	12.9
135.11679	16.9
137.09628	2.6
139.11156	7.3
143.08572	2.4
143.10666	4.4
145.10104	20.2
147.08064	3.1
147.11694	11.0
149.09650	16.7
149.13214	5.2
151.11153	7.4
153.09091	11.5
153.12741	7.4
155.10616	2.2
157.10132	4.6
157.12141	2.8
159.11659	6.4
161.09610	4.0
163.11168	44.5
164.11470	2.5
165.12747	7.4
167.10678	5.9
171.10158	6.8
173.09596	6.4
173.11751	5.8
173.13284	3.9
177.12772	8.7
181.12257	8.8
187.11127	5.4
189.11208	66.9
191.10641	6.0
193.12268	9.6
195.13846	12.9
209.11638	2.2
211.13287	4.8
223.13287	17.7
227.12778	13.9
229.14235	3.4
229.52663	2.7
239.17993	2.4
247.20624	4.9
257.18991	5.9
275.20065	39.5
293.21115	92.3
311.22092	2.1
349.23560	4.0
367.24692	12.7
385.25885	22.4
386.26590	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	385.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.8
53.03945	4.5
55.01859	13.0
55.05510	46.3
57.03437	40.2
57.07058	4.3
59.04972	6.3
67.05497	73.8
69.03413	5.8
69.07066	47.5
71.04992	25.5
71.58475	4.6
79.05490	73.2
81.03404	11.5
81.07049	83.3
83.04982	26.0
83.08613	21.0
85.06525	4.5
91.05470	47.4
93.07039	90.9
95.04971	46.3
95.08597	53.2
97.06512	13.0
97.10165	31.3
105.07024	51.1
107.04948	9.4
107.08582	62.8
108.29582	3.7
109.06506	16.1
109.10149	24.9
111.04437	9.6
111.08083	16.6
113.05999	3.9
115.05459	5.9
117.06997	14.7
119.08575	35.4
121.06483	4.7
121.10127	46.1
123.08064	9.1
123.11726	5.0
125.09589	19.0
128.06239	5.4
129.07008	12.6
130.73187	3.7
131.08569	36.9
133.10106	22.2
135.08072	7.2
135.11671	12.5
139.11169	21.7
141.06999	6.1
143.08534	13.5
145.10094	24.6
147.08054	7.2
147.11674	13.7
149.09616	23.5
155.08563	7.4
157.10138	9.8
159.08017	5.3
159.11674	15.3
161.13268	7.5
163.11162	15.1
167.10545	3.9
169.10124	9.2
171.11668	9.6
173.11746	6.2
173.13156	8.7
177.12755	4.7
179.14264	3.8
185.13177	7.9
187.14848	6.8
189.11218	16.9
189.12697	4.6
193.12141	6.8
197.09792	4.5
197.13239	5.7
203.12772	17.6
203.14458	5.4
223.13342	21.2
223.16833	5.1
239.17963	9.1
240.90498	3.9
241.14407	5.8
247.20654	5.8
257.18942	10.9
275.20050	100.0
276.20401	7.0
293.21082	35.2
367.25433	19.2
385.23758	18.2
385.31046	44.0
390.11755	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	385.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.7
55.01869	17.5
55.05265	5.2
55.05512	66.5
57.03436	39.3
57.07071	7.1
65.03937	6.0
67.05508	98.0
69.03415	13.1
69.07061	24.1
69.47068	7.9
69.47472	21.0
71.04978	7.2
71.08627	45.3
79.05064	5.2
79.05497	75.7
81.03436	19.3
81.06578	6.7
81.07055	100.0
83.04967	21.6
83.08619	43.9
85.06541	6.7
85.10153	3.1
91.05490	79.3
93.07037	61.9
95.04974	47.4
95.08614	56.0
97.02863	3.8
97.06516	14.2
97.10149	6.5
98.21486	4.1
99.08099	32.8
105.07026	42.6
107.04951	29.0
107.08597	34.8
109.06521	13.7
109.10147	23.0
111.04419	3.7
111.08058	10.3
117.07020	21.4
119.08581	35.4
121.06508	10.6
121.10138	33.3
121.39005	3.2
121.85062	4.1
123.04463	7.9
123.08053	13.1
123.11689	10.1
125.09647	10.8
129.06999	7.7
131.08575	27.3
133.06477	4.8
133.10130	37.5
133.26982	3.3
135.08052	14.3
135.11719	23.0
137.09641	8.6
141.06995	5.9
143.08553	5.6
145.10132	22.7
147.08034	4.0
147.11720	27.8
149.09613	15.1
149.13260	5.1
151.11180	31.9
153.09071	5.4
154.99464	3.2
155.08684	4.0
157.10097	7.7
159.08080	3.7
159.11710	18.0
161.09662	8.5
163.11182	27.7
165.12741	20.6
167.08528	3.7
171.11482	4.1
173.09683	8.2
175.11180	10.7
177.12759	22.9
181.12189	4.0
183.11687	5.4
189.11197	7.3
191.10648	5.1
191.14369	8.0
193.12274	12.7
211.13264	6.2
212.22833	3.0
217.58078	3.4
219.13815	3.5
227.12793	4.8
257.18860	8.1
267.15808	8.2
275.20026	28.8
285.17023	4.7
293.21075	17.8
348.22833	3.2
349.23761	8.1
367.24799	6.6
385.20007	15.5
385.25955	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	385.258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63629	2.1
53.03938	3.1
55.01868	15.5
55.05509	74.5
56.06721	2.1
57.03441	13.7
61.15038	2.2
64.99323	2.1
67.05502	59.2
69.03409	9.0
69.07069	18.5
71.04977	7.3
71.08636	19.2
71.58436	4.1
79.05494	47.1
81.03422	18.5
81.07055	44.5
83.04973	28.1
83.08611	44.3
85.02905	3.3
85.06544	6.2
89.47308	2.3
91.05476	24.9
93.06481	3.0
93.07038	44.1
95.04967	48.6
95.08612	27.6
97.06540	10.8
97.10173	42.0
98.03570	2.3
99.04447	3.0
99.08094	18.4
105.07018	24.4
107.04961	12.6
107.08593	39.5
109.06522	10.5
109.10155	17.2
111.04443	28.7
111.08082	13.9
115.05463	2.8
117.07017	11.9
119.08555	12.7
121.06488	6.4
121.10128	14.7
123.08089	5.4
123.11713	3.5
125.09627	42.4
129.06992	4.6
131.08580	12.1
133.10123	13.4
135.08057	10.3
135.11694	15.1
137.09549	3.4
139.11197	3.7
143.08562	3.3
145.06473	3.6
145.10097	18.8
147.07970	3.9
147.11687	8.8
149.09595	19.0
149.13252	3.1
151.11133	2.8
153.09114	8.2
153.12720	8.5
155.10664	3.1
157.10135	3.6
159.11705	8.4
161.09619	3.6
161.13242	3.6
163.11176	46.0
165.12772	5.2
167.10719	6.5
168.33510	3.0
169.10077	3.6
171.10167	3.1
173.13277	3.3
175.11168	3.2
177.12741	7.8
181.12215	8.2
183.11658	2.8
189.11209	47.4
191.10663	8.2
193.12238	9.5
195.13774	13.2
205.12302	5.7
211.13284	3.2
223.13264	23.8
227.12666	12.5
239.17879	2.8
247.20563	7.9
257.18951	8.1
275.20065	46.8
293.21112	100.0
294.21484	3.9
342.44849	2.7
349.24020	2.7
353.15897	2.2
367.24820	21.5
385.26291	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	385.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.1
57.07078	4.9
59.05014	2.4
60.66342	1.6
61.88059	1.3
63.23728	1.5
63.39714	1.4
67.05499	5.1
67.74525	1.2
69.03419	2.9
69.07068	2.4
69.32726	8.5
69.33154	6.4
71.04996	3.4
72.79767	1.3
79.05486	5.1
81.03410	2.1
81.07066	6.7
83.04996	2.3
83.08613	4.2
84.08144	100.0
85.06519	1.9
91.05477	8.4
93.07045	8.9
95.04953	5.4
95.08585	8.3
97.06514	7.0
98.20691	2.6
101.95359	1.5
105.07012	14.8
107.08598	12.9
109.06512	4.0
109.10143	3.6
111.08078	5.9
117.07010	7.0
119.08579	14.3
121.06528	4.1
121.10158	5.3
123.08071	13.1
124.08389	1.7
129.07018	4.0
130.07780	2.4
130.08618	8.2
131.08553	13.2
133.06558	2.4
133.10153	6.5
135.08031	5.3
135.11676	11.6
137.05981	10.6
137.09650	3.1
142.07797	2.6
143.08557	4.8
144.09329	3.9
145.06409	1.5
145.10120	16.1
147.08052	5.0
147.11316	4.0
149.09602	5.4
151.07545	29.9
153.09122	2.8
155.08569	1.8
155.10680	1.8
157.10133	4.6
159.08061	6.2
159.11685	14.6
161.09605	5.0
162.10370	2.3
163.11160	11.5
165.09157	5.8
169.10120	1.7
171.11688	2.5
173.09618	2.8
173.13281	2.1
175.11188	3.0
177.09065	7.5
177.12723	9.1
178.53519	1.7
181.10008	1.6
183.11713	3.0
184.07408	2.6
185.13361	1.5
187.11244	10.9
189.12794	7.5
197.13248	2.2
199.11188	1.8
203.14417	1.8
205.12225	16.2
205.15300	1.6
207.13766	2.6
209.13409	1.3
209.15381	2.1
211.27045	1.5
215.14371	2.0
217.12331	3.6
221.15419	4.9
233.15414	2.5
269.99548	1.5
286.19229	8.0
322.31076	7.6
367.22775	3.5
385.23672	29.4
385.34125	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	385.2371
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
55.01847	4.9
55.05499	19.5
57.07064	14.1
59.04996	5.2
59.53317	3.4
62.46117	3.3
67.05501	22.7
69.03420	10.4
69.07061	5.6
71.58478	5.0
79.05493	17.7
81.07055	20.1
83.04991	7.1
83.08609	12.3
85.06532	7.1
89.84626	3.5
91.05467	35.6
93.07039	35.2
95.04951	18.5
95.08600	28.6
97.06526	13.3
105.07025	45.2
106.14194	3.9
107.08578	55.5
109.06500	14.4
109.10185	6.0
111.04446	7.9
111.08094	19.1
112.36555	3.8
113.09689	5.2
113.69621	4.0
116.06258	4.2
117.06999	17.4
119.08585	47.6
121.06491	8.2
121.10133	16.2
123.08056	41.7
125.09627	6.1
128.66452	4.2
129.06979	11.7
130.07764	7.3
131.08569	41.3
133.06485	10.7
133.10106	15.0
135.08057	16.5
135.11682	38.5
137.05977	33.8
137.09589	7.3
139.07533	7.6
139.11208	3.8
140.24332	3.5
140.72052	3.9
142.07803	4.8
143.08554	14.5
144.09331	12.8
144.33672	4.2
145.06488	5.7
145.10135	50.0
147.08038	16.1
147.11678	8.8
149.02312	4.5
149.09586	11.6
151.06293	5.8
151.07526	100.0
153.09113	6.4
155.10643	4.4
156.09300	4.4
157.10136	15.2
158.07271	5.7
159.08069	23.1
159.11681	50.8
161.09613	13.6
161.13248	4.5
162.10387	8.4
163.11148	37.4
165.09103	12.6
169.10042	8.4
171.08102	3.7
171.11681	8.1
172.08885	7.8
173.13261	4.7
175.11096	5.3
177.09203	22.4
177.12717	33.9
183.11726	5.3
183.85925	4.0
185.09714	3.7
187.11162	33.1
189.12718	22.3
191.14331	6.9
195.11729	6.9
197.13220	4.6
199.11153	8.2
201.12740	4.8
203.14258	8.4
205.12234	63.3
207.13782	6.8
209.13295	5.3
209.15283	4.8
211.14801	6.7
213.16391	4.5
215.14339	7.4
217.12169	6.1
221.15320	10.1
225.12764	6.0
229.12178	4.9
231.13910	5.8
233.15479	9.5
241.15715	4.2
246.16071	4.2
274.19324	4.0
286.19308	17.9
311.16400	3.7
367.22693	19.3
385.23758	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	385.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01866	3.4
56.96566	3.1
61.02924	3.3
69.03427	5.3
70.06593	21.8
71.57513	3.6
72.08157	3.4
79.05486	8.4
83.01339	2.9
84.04493	3.2
84.08136	9.7
85.02893	7.6
85.10981	2.3
91.05466	3.9
95.04972	2.8
97.02872	4.6
103.05445	3.3
105.07022	45.8
107.04945	4.6
110.07141	4.0
112.08736	4.1
115.05452	12.4
117.07011	5.1
118.04221	5.3
120.08107	2.4
123.04424	7.4
131.04941	5.7
133.06494	53.6
136.06195	7.6
137.06558	3.4
142.79242	2.8
143.04919	3.0
143.05983	3.1
145.02858	5.4
145.06483	6.8
147.04425	3.4
148.06198	3.2
151.03940	7.9
155.07079	4.5
161.05977	100.0
162.07736	5.3
163.08093	6.2
167.07031	28.2
173.05966	3.0
175.07573	2.8
177.05417	5.7
183.06511	4.9
189.05685	5.1
193.05685	2.9
193.08606	59.8
194.08937	2.6
201.05421	2.9
205.08600	4.3
207.06595	8.1
219.06509	4.2
221.08099	2.7
221.68138	3.4
229.04929	4.0
229.15779	3.4
231.06549	5.7
233.04478	9.7
233.08072	5.1
251.09113	22.9
252.07259	17.2
252.09561	2.7
253.07468	25.9
261.07648	15.3
273.07672	2.6
275.09140	2.8
289.07089	3.0
293.10101	3.1
385.02393	3.4
385.11700	11.0
385.25272	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	384.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13353	0.5
53.03933	1.2
53.07542	0.4
55.05508	32.1
56.05026	2.7
56.05833	0.5
57.07064	2.0
65.03953	0.5
67.05496	1.2
69.07077	0.7
70.06581	2.1
70.93433	1.3
71.08634	1.5
74.02029	1.0
74.02438	15.4
76.88466	0.5
80.05010	0.8
81.07058	1.4
82.06577	100.0
83.06903	2.0
83.08609	0.6
84.08127	0.5
86.02385	0.6
87.23782	0.5
95.08603	0.7
100.07615	29.3
109.10140	0.8
128.07074	66.0
129.07430	1.3
141.04967	0.5
146.08116	33.7
147.08482	0.9
384.30704	2.7
384.38022	0.7
385.29468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	8.9
71.22060	5.2
71.22378	3.4
98.97581	51.4
116.98626	63.1
118.98236	3.8
118.99040	2.9
119.01930	7.5
132.22043	3.9
134.98654	3.3
134.99660	50.4
135.99954	4.0
153.00745	12.9
177.00984	12.7
179.00787	4.2
219.02037	25.4
220.02042	3.7
221.01883	4.7
234.99843	3.7
236.99934	6.4
243.02039	7.1
254.01338	3.2
258.99808	26.1
259.99966	10.3
260.99762	33.8
261.03098	97.9
262.03323	6.2
263.02896	5.4
266.98883	3.4
277.00919	47.7
278.01047	19.9
279.00687	70.5
280.01117	8.7
283.00031	8.0
284.00314	4.8
284.04785	3.6
284.99841	35.7
285.99902	6.9
297.93274	2.6
301.01056	19.4
302.01135	19.5
303.00882	100.0
303.04373	5.5
304.00888	18.2
305.00656	4.7
321.01828	9.5
325.01279	3.1
343.02148	6.7
361.01300	21.4
379.02798	10.3
385.03317	12.2
403.00906	17.3
403.04776	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	384.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
55.01878	8.4
57.03436	6.2
57.07075	1.5
61.02927	8.0
63.04471	2.1
67.50695	1.4
68.99790	2.9
69.03431	34.1
70.06579	2.4
71.04991	4.5
71.58130	1.6
72.08157	2.8
73.02908	7.6
81.03424	24.5
81.62783	1.5
84.08154	11.6
85.02906	100.0
86.03294	1.6
87.00832	46.6
91.03990	1.8
91.05458	1.8
97.02896	38.6
98.09692	3.6
99.04465	12.8
100.07629	13.5
101.07938	2.4
101.09673	1.8
105.01865	62.7
107.04953	5.5
108.05239	2.2
109.02881	29.2
109.03592	2.2
112.11256	4.1
115.03928	2.1
117.01859	2.0
117.59583	1.4
119.10706	4.9
126.10034	1.6
127.03918	66.0
129.01846	2.7
145.04961	27.5
146.49956	1.7
147.02867	2.9
153.05453	3.0
159.02873	12.8
165.80389	1.4
170.19048	2.9
171.02777	1.8
171.14926	3.1
177.05527	2.2
201.05551	2.0
213.03943	4.9
231.04988	14.5
238.21693	2.2
249.06056	3.1
383.37308	2.9
384.37668	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	384.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85182	0.6
53.03936	2.0
55.01867	1.1
55.05508	55.9
55.21579	0.8
57.03432	2.1
58.99593	3.1
60.05637	1.2
61.02929	3.1
67.81403	0.6
69.03428	6.2
69.25954	2.7
69.26376	5.7
70.06585	5.3
71.04977	1.0
72.08160	4.5
73.02930	1.0
73.06432	0.8
76.02226	1.0
79.05463	1.0
81.03410	2.6
81.07068	0.9
83.06091	0.9
83.08614	100.0
84.04509	1.2
84.08146	3.3
84.08958	0.8
85.02905	18.7
86.09705	3.0
86.99049	5.7
87.07975	1.2
91.03958	0.8
91.05477	1.8
93.07022	0.7
97.02879	4.5
98.06001	0.8
99.04491	0.8
100.02180	0.9
101.09650	21.2
105.00088	9.3
109.02888	1.6
110.07146	3.4
114.10320	1.1
118.06560	1.0
119.04916	1.2
120.08091	1.2
122.02735	1.6
124.53050	0.6
127.03923	2.4
128.07080	1.1
129.10225	1.4
131.12936	2.7
133.02945	0.8
134.05974	0.8
136.07594	1.4
143.08308	0.7
145.05002	1.6
147.04437	1.9
150.05540	1.0
156.07715	0.9
159.08414	1.0
176.07106	1.2
178.05042	2.0
187.07910	2.2
187.11942	0.8
200.17191	0.7
204.06554	3.0
205.08928	67.8
222.07722	13.2
222.11581	52.8
277.12955	0.7
300.12729	1.0
361.06259	0.7
367.12927	1.4
384.12891	2.4
384.17114	0.9
384.21475	1.1
385.14673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1149
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01849	1.2
55.02117	0.4
57.03440	2.1
59.04982	0.4
69.03405	1.2
70.06570	0.6
71.01327	1.1
71.04078	0.8
73.02893	1.3
83.88574	0.3
84.08145	0.8
85.02898	2.0
94.03981	0.5
99.00792	0.5
119.03513	0.8
121.05102	1.5
133.04936	0.5
135.06622	2.0
136.06181	16.9
137.04587	1.0
147.04387	0.6
148.06180	6.9
155.05649	0.6
160.06178	1.2
162.07742	36.9
163.08131	0.5
164.05615	0.6
171.14168	0.4
176.89502	0.3
188.05663	13.6
192.05167	16.6
195.26405	0.3
206.06726	6.8
207.99728	0.4
216.05092	0.5
222.07544	0.5
234.06200	11.8
252.07269	100.0
253.07578	2.6
321.46866	0.4
384.11481	19.6
385.11682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37701	0.8
53.03947	2.4
54.31780	0.7
55.01863	1.1
55.05511	47.7
55.40482	0.7
55.45305	0.8
55.59501	0.8
57.03440	1.5
58.99585	3.3
60.05645	2.7
61.02944	1.8
69.03427	5.0
69.07067	0.9
70.02093	3.8
70.02977	0.9
70.06594	6.6
71.04984	0.8
71.61234	0.8
72.08158	6.3
73.02908	1.2
76.02236	0.9
77.86246	0.7
79.55535	0.8
81.03415	2.0
81.07079	1.1
83.08619	100.0
84.04507	2.3
84.08150	3.2
84.08910	0.9
85.02903	16.3
86.09681	1.6
86.99074	4.4
91.05456	1.8
97.02869	4.0
98.06066	1.8
99.04489	1.3
100.08778	0.8
101.09652	20.1
105.00101	8.7
107.04927	1.1
109.02850	1.8
110.07184	2.2
114.10305	3.0
119.04934	1.6
122.02719	1.0
127.03916	2.6
129.10240	1.4
131.12952	6.8
136.06210	2.4
137.05930	0.8
138.05499	0.9
145.02823	1.4
145.04948	1.5
147.04385	2.5
147.08017	1.0
148.06247	1.4
152.20804	0.8
157.10867	1.0
159.08316	1.2
165.98868	0.8
177.05478	1.0
187.07832	2.4
187.11902	2.4
204.06592	1.1
205.08942	66.7
222.07826	2.1
222.11592	45.4
222.13467	3.7
222.97163	0.9
238.05420	3.3
245.39310	0.9
245.51410	0.9
384.18564	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	383.2578
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03942	6.7
55.01841	3.0
55.05510	17.8
56.96547	3.2
57.07061	10.1
59.04998	6.9
65.03941	3.2
67.05504	33.7
69.03422	17.7
69.07062	8.8
69.60111	18.1
71.04980	6.7
79.05488	32.3
81.07062	35.4
83.04975	6.7
83.08585	4.6
85.06529	4.1
91.05474	53.9
93.07042	100.0
95.04962	28.0
95.08603	37.3
97.06527	11.5
98.20733	3.0
100.07594	5.4
103.05442	3.5
105.07027	90.4
107.08587	43.1
109.06532	35.0
109.10164	16.7
111.08082	12.3
115.05409	3.6
117.07014	17.7
119.07801	5.3
119.08578	54.9
121.06495	14.6
121.10133	47.5
123.08070	33.6
128.06226	8.2
129.07001	11.6
130.07756	5.4
131.08578	26.4
133.06473	10.1
133.10132	32.3
135.08061	27.2
135.11731	2.7
137.09601	12.4
141.06902	3.9
142.07776	19.5
143.08545	26.2
144.09352	4.9
144.30254	2.7
145.06468	3.1
145.10129	44.7
146.07300	3.1
147.08034	26.1
147.11699	16.4
148.08812	3.9
149.09634	24.0
151.07533	43.4
153.09082	3.2
155.08536	9.1
156.09352	8.8
157.10121	40.2
159.08018	11.9
159.11746	20.1
161.09602	28.0
161.13223	9.9
163.11113	6.0
165.09105	40.7
169.10083	5.2
170.10898	8.4
171.11638	7.8
173.09621	9.6
173.13243	9.3
175.11189	24.5
175.14804	9.1
177.09090	12.7
178.09949	2.9
179.08528	3.4
179.10669	3.6
183.11696	6.3
185.13283	28.2
187.11160	5.3
189.12706	16.6
191.14253	4.9
197.13249	9.0
199.11147	5.1
201.12700	8.6
203.14337	31.1
207.11769	3.9
207.13791	15.4
208.12456	3.1
209.13333	3.9
209.15352	5.5
213.12776	6.3
215.14319	8.7
216.15085	4.5
217.12279	3.6
219.13911	6.0
221.13431	3.4
221.15359	72.2
225.12845	4.3
225.16281	3.2
227.14279	3.7
231.13699	3.7
233.15353	7.3
234.16193	15.2
239.17807	3.8
243.13683	3.9
269.19162	3.2
271.16940	3.0
281.18988	4.9
286.19290	4.5
287.19992	9.6
299.20111	8.0
303.19421	9.9
347.23749	4.0
359.60721	3.4
365.24695	12.5
383.25784	68.5
384.26221	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.9
55.05502	14.1
57.07068	12.4
57.40730	3.3
59.05001	6.7
65.03925	4.0
66.20325	3.1
67.05504	36.0
69.03423	16.1
69.07067	9.4
69.68099	16.8
69.68517	8.5
71.04991	8.2
79.05489	32.7
81.07062	42.5
83.04993	9.5
83.08611	6.8
84.08147	9.0
85.06555	3.7
91.05474	49.3
93.07043	100.0
95.04978	32.1
95.08611	49.5
97.06535	13.6
100.07621	11.3
103.05452	4.0
105.07022	83.2
107.08587	48.0
109.06531	27.4
109.10165	23.4
111.08106	11.5
112.11272	4.1
117.07025	14.8
119.04888	4.0
119.08583	57.1
120.09438	5.3
120.15498	3.3
121.06534	16.6
121.10149	46.4
123.08064	34.7
125.05899	4.7
128.06209	7.7
129.06976	14.9
130.07779	3.9
131.08566	36.7
133.06509	7.4
133.10133	33.2
135.08055	22.3
135.11717	5.7
137.05956	9.3
137.09584	10.6
141.07024	5.8
142.07770	19.9
143.08546	21.8
145.10126	34.4
146.07266	3.4
147.08061	31.1
147.11671	13.9
149.09592	29.2
151.07544	37.1
155.08548	7.5
156.09352	10.2
157.10132	38.9
158.10936	3.7
159.08069	8.5
159.11713	17.0
160.08759	4.4
161.09628	21.7
161.13258	8.1
163.11145	7.7
165.06952	3.8
165.09094	41.7
169.10185	8.3
169.13396	4.2
170.10934	5.6
171.11736	9.3
172.08849	3.6
173.09621	10.8
173.11876	3.7
173.13263	11.3
175.11194	22.5
175.14865	10.0
177.09131	13.1
178.09976	3.5
179.14420	4.2
183.11571	4.6
185.09688	4.4
185.13286	13.0
187.11356	3.9
187.14787	6.4
189.12762	11.2
191.14282	3.9
197.13260	7.8
199.11104	3.2
201.12805	12.0
203.14267	30.6
207.13788	9.8
209.13451	7.8
209.15398	4.7
213.12761	6.6
215.14394	5.6
219.13824	8.0
221.15356	83.1
227.14319	3.6
233.15332	5.6
234.16171	12.3
241.15738	3.4
281.18854	4.0
286.19351	7.2
287.20041	3.9
303.19565	10.7
342.84973	3.5
350.75650	3.4
365.24765	7.3
383.25793	46.6
383.37314	11.0
384.26276	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	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.2
53.03931	6.9
53.42808	2.0
55.01854	3.4
55.05507	16.7
57.03430	3.8
57.07076	12.5
59.04976	5.5
63.67212	2.0
65.03910	3.1
65.80917	1.9
67.05502	33.9
69.03432	18.9
69.07053	7.7
71.04997	9.4
71.05311	2.0
71.58051	3.8
79.05493	32.2
81.03413	15.0
81.07050	36.4
81.24530	1.8
83.04969	6.6
83.08614	3.9
84.08118	4.7
85.06531	5.0
91.05477	53.5
91.89816	1.8
93.07041	100.0
93.07635	4.8
95.04964	34.3
95.08052	3.3
95.08604	40.7
97.06539	12.5
98.09669	2.8
100.07591	5.4
103.05484	2.6
105.07027	82.2
107.04991	4.0
107.08590	46.3
109.02837	6.7
109.06512	25.1
109.10148	26.3
111.08067	11.3
111.52973	1.8
112.69218	2.4
115.05451	3.9
116.06202	4.0
117.07022	11.2
119.08576	63.4
120.78539	1.9
121.06490	17.2
121.10135	44.7
123.08061	30.6
123.11739	3.4
127.63528	2.0
128.06186	7.4
129.06964	12.5
130.07811	4.0
131.08560	27.7
133.06491	6.4
133.09216	3.4
133.10132	30.0
135.08054	25.3
135.11697	5.1
137.06015	2.1
137.09642	11.8
137.86885	1.9
141.06992	5.1
142.07764	22.2
143.08559	24.5
144.09370	4.4
145.06438	3.2
145.09050	3.1
145.10124	40.6
147.06943	2.6
147.08055	36.8
147.11694	19.3
148.08789	4.1
149.09599	27.6
151.07526	39.2
151.11235	2.0
153.09096	4.5
155.08522	9.5
156.09354	9.8
157.10129	38.0
159.08130	9.7
159.11670	16.5
160.08846	5.4
161.09624	22.4
161.13239	6.4
163.11137	7.7
165.09106	43.4
169.10089	4.1
170.10913	7.8
171.08047	2.7
171.11697	9.1
173.09622	9.7
173.11815	2.7
173.13194	6.7
175.11162	21.4
175.14809	8.6
177.09105	10.7
178.09872	2.2
179.08521	2.1
183.11676	6.0
185.09593	2.4
185.13258	16.9
187.11180	5.5
187.14882	2.5
189.12758	11.8
191.14299	3.0
193.10109	3.1
195.11702	3.3
197.13197	3.6
199.14781	3.4
200.12006	2.6
201.12718	10.1
203.14323	28.4
206.34352	2.1
207.11914	4.1
207.13791	13.8
209.13374	2.2
211.11183	2.7
213.12703	5.6
215.14302	5.2
217.12204	3.1
219.13805	6.4
221.15369	73.4
222.15689	2.9
223.14809	2.9
225.12692	3.8
225.16411	3.3
227.14371	3.0
231.13797	4.6
233.15408	5.9
234.16124	11.0
243.13774	4.4
274.19232	2.5
281.18924	4.5
286.19189	5.9
287.20090	9.3
299.20068	7.2
303.19571	6.5
347.23639	2.1
365.24805	4.9
383.25729	45.0
383.37256	5.1
384.26004	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	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92930	2.2
53.03939	7.1
55.01863	4.6
55.05515	20.4
57.07067	12.8
57.22515	2.6
59.04998	8.8
65.03910	2.8
65.40160	2.4
67.05505	47.6
68.93118	2.4
69.03430	19.6
69.07059	12.2
69.27540	13.9
69.27961	16.1
71.04980	10.1
79.05500	30.8
81.03413	5.7
81.07053	36.5
83.04977	8.7
83.08614	6.0
84.08146	8.0
85.02940	2.4
85.06551	7.0
91.05475	52.1
93.07040	100.0
95.04977	30.8
95.08604	47.6
97.06522	16.0
98.09676	5.1
99.04458	7.9
100.07618	9.8
105.07027	89.8
107.08589	44.3
108.36135	2.4
109.06519	25.7
109.10146	32.2
111.08099	7.4
117.07032	8.6
119.08585	60.1
120.09469	2.3
121.06488	17.2
121.10136	43.4
123.08060	30.6
125.09576	3.7
127.03876	3.9
128.06229	8.9
129.07013	11.6
130.07776	7.3
131.08553	26.3
133.06480	6.1
133.10123	29.9
135.08046	23.3
135.11694	4.4
137.05963	3.5
137.09584	12.3
141.06987	5.2
142.07768	22.7
143.08571	28.6
144.09323	5.1
145.06525	2.9
145.10110	42.0
146.07332	3.0
147.08051	25.3
147.11682	15.0
148.08812	4.6
149.09621	24.2
151.07532	41.9
153.09097	4.6
155.08583	6.4
156.09361	7.6
157.10120	42.8
159.07994	13.2
159.11716	13.6
161.09608	19.0
161.13248	7.1
163.11203	9.2
165.09105	51.3
167.08656	2.8
169.10129	8.0
170.10872	6.4
171.11670	7.7
173.09621	10.1
173.11783	4.5
173.13261	11.0
175.11206	20.9
175.14821	9.1
177.09154	8.9
179.08578	3.5
181.10127	3.1
183.11746	8.1
185.09731	3.1
185.13274	22.1
187.11223	5.4
187.14848	5.7
189.12697	12.1
191.14328	2.8
193.10121	3.5
194.10893	3.5
195.11639	3.1
197.13222	7.3
199.11197	3.3
201.12775	6.4
203.14291	32.9
207.11853	3.9
207.13788	12.9
209.13324	4.0
209.15283	4.6
211.14807	4.1
213.12701	3.4
215.14317	6.8
219.13782	7.0
221.13374	3.1
221.15343	77.3
222.15746	5.1
225.12781	3.2
226.79295	2.9
227.14323	3.8
229.12325	3.2
231.13823	4.2
233.15393	5.3
234.16190	7.9
243.13904	3.2
273.18573	3.3
281.18988	3.7
285.18564	2.8
286.19409	5.4
287.20099	7.8
299.20239	3.5
303.19513	7.0
365.24731	9.2
375.79233	3.0
383.20416	33.0
383.25778	51.5
383.37366	10.5
384.26056	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2578
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
55.05507	17.6
57.07073	9.7
59.05000	6.5
65.03938	4.4
65.28549	3.3
66.68657	3.4
67.05498	25.3
69.03429	14.7
69.07063	12.6
70.71408	6.8
70.71736	4.4
71.05000	4.3
76.36830	4.4
79.05489	33.5
81.07063	28.7
83.04991	6.5
83.08614	4.8
84.08127	3.5
85.06532	5.7
88.55322	4.5
91.05485	48.1
93.07043	100.0
95.04971	26.3
95.08605	36.4
97.06509	19.5
100.07642	6.0
105.07039	71.4
107.08584	45.3
109.06496	19.5
109.10164	15.7
111.08077	8.0
117.07064	6.4
119.08581	59.0
121.06509	13.8
121.09304	5.4
121.10147	42.7
123.08075	25.3
125.05914	4.9
125.09658	4.4
128.06247	8.9
129.07010	13.1
130.07823	5.5
131.08548	26.3
133.06506	6.8
133.10144	40.0
135.08044	23.3
135.11754	4.9
137.09616	10.6
141.06996	5.2
142.07759	17.2
143.08514	19.7
145.06589	4.3
145.10121	38.9
147.08026	24.2
147.11707	16.2
149.09615	25.4
151.07553	37.7
155.08591	8.1
156.09360	6.2
157.10126	36.1
159.08102	10.1
159.11691	14.3
161.09651	20.6
161.13278	6.4
162.58214	3.5
163.11176	8.4
165.09143	35.6
169.10063	5.3
170.10973	5.8
171.11755	8.1
172.11897	4.3
173.09639	11.9
173.13260	7.7
175.11189	20.5
175.14810	7.3
177.09145	13.9
181.10207	6.2
183.11714	4.5
185.13313	11.3
187.11209	8.8
189.12772	12.8
191.14275	4.4
197.13307	6.7
199.14877	5.1
201.12755	8.9
203.14279	28.4
207.11996	4.2
207.13876	15.8
213.12837	6.1
216.15132	3.8
219.13853	5.3
221.15359	61.3
225.12813	3.9
231.13858	4.9
233.15460	4.6
234.16173	14.8
243.13885	5.7
287.20105	8.9
299.20053	6.7
303.19638	11.3
365.24756	10.8
383.25748	62.8
384.26135	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01871	18.6
55.05270	3.0
55.05510	43.6
56.66647	2.1
57.03440	21.1
57.07076	3.3
65.03922	4.3
67.05502	69.3
69.03419	9.9
69.07074	29.2
70.06575	2.0
71.04992	5.6
71.33530	3.7
79.05489	49.3
81.03398	19.0
81.06581	5.0
81.07054	100.0
83.04971	20.3
83.08619	22.6
84.08144	21.3
85.02883	7.3
85.06528	4.4
91.05468	26.2
93.07042	36.0
95.04972	18.9
95.08604	24.6
97.02858	3.4
97.06526	16.0
97.10163	34.6
98.09687	9.6
99.08047	5.2
100.07616	28.1
103.56329	2.5
105.07027	22.7
107.04955	7.7
107.08587	25.7
109.06500	11.6
109.10148	24.6
111.04443	18.0
111.08070	12.4
112.11262	10.1
115.05500	2.8
117.07021	14.1
119.08594	23.5
121.06499	9.5
121.10153	12.4
122.03726	2.8
123.08070	42.6
125.09621	37.4
129.06990	4.9
129.13902	5.2
131.08530	12.5
133.06544	3.1
133.10118	9.1
135.08052	8.5
135.11687	10.3
137.05962	21.4
137.09605	10.3
141.06879	2.2
145.10104	10.0
147.08020	7.7
147.11632	4.6
149.05975	2.5
149.09595	6.7
153.09122	3.8
153.12730	8.0
157.10112	4.2
159.11621	3.1
161.05962	5.6
161.09616	4.0
163.11171	19.0
165.09111	6.9
169.13350	9.8
170.19032	6.4
171.08209	2.8
171.10191	3.9
171.11728	3.5
171.14964	7.7
173.09615	3.1
173.11713	2.5
175.11200	6.2
181.12201	14.4
189.11223	36.9
189.12747	4.7
191.10648	10.4
193.12219	8.4
199.07498	5.9
203.08528	3.0
209.11714	2.8
214.93903	2.4
219.08214	2.7
223.13354	5.9
227.12715	14.0
231.08197	6.2
232.08983	3.3
248.08363	2.7
255.17462	4.5
259.07623	4.1
263.10614	3.9
273.18472	26.9
277.08575	2.7
291.10168	11.6
291.19531	60.7
309.29056	4.4
323.12613	4.4
365.23700	12.2
378.50443	2.7
383.10956	4.9
383.24557	15.8
383.37332	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.2
55.01668	1.5
55.01874	17.1
55.05510	62.7
57.03437	26.4
59.04980	2.3
62.29713	1.4
65.03932	3.5
67.05502	66.5
67.47475	1.3
69.03424	8.6
69.06731	2.1
69.07070	34.6
70.73916	4.9
71.04986	6.9
72.03485	1.5
77.03870	1.8
78.18381	1.4
79.05494	64.4
81.03419	19.1
81.07055	100.0
83.04978	26.0
83.08617	29.8
84.08134	7.1
85.02917	9.0
85.06570	3.9
90.94830	1.8
91.05477	33.1
93.07040	43.1
93.31979	2.0
93.33007	1.6
95.04969	21.1
95.08049	2.9
95.08605	32.2
97.06509	11.3
97.09541	2.6
97.10165	45.0
98.09689	5.1
99.04438	4.9
99.08074	3.9
100.07609	8.9
103.05515	2.4
105.07027	26.5
107.04951	9.7
107.08595	32.4
109.06533	13.0
109.10142	21.5
111.04437	22.3
111.08083	12.6
112.11221	2.5
115.05422	3.4
117.07022	13.2
119.04981	1.5
119.08570	23.5
121.06485	6.7
121.10149	17.4
123.08067	42.2
123.11726	3.1
125.09628	50.5
125.10559	2.4
128.06253	1.9
129.06989	5.8
129.13838	2.7
131.08578	13.2
133.06462	3.3
133.10123	9.9
135.08020	10.6
135.11691	12.5
137.09645	10.3
139.11122	3.5
142.18169	1.6
143.08597	4.4
143.10666	3.6
145.10120	15.4
147.08041	6.1
147.11682	11.4
149.09624	8.6
149.13283	3.3
151.11203	1.7
153.09094	6.2
153.12743	9.5
157.10103	5.7
159.08043	2.5
159.11682	6.3
161.09573	4.2
161.13246	2.6
163.11169	24.8
165.09081	7.7
169.13364	3.7
171.10139	4.3
171.11726	4.8
171.14969	2.3
173.09636	3.0
173.11806	2.5
175.11201	6.4
181.12219	15.6
182.18230	1.4
189.11224	50.5
189.12927	3.2
191.10626	10.5
193.12209	10.9
205.12323	1.5
209.11771	1.8
211.13185	3.0
223.13222	4.5
227.12767	13.8
227.17995	2.5
245.13704	1.8
245.19038	2.5
249.14940	2.2
255.17351	4.5
263.20068	3.3
267.06912	3.8
273.18478	21.9
285.07718	2.6
291.16705	1.8
291.19540	43.6
309.20627	3.1
321.21109	1.7
347.22440	1.7
365.14001	1.9
365.23199	10.3
383.24106	20.2
383.37161	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01873	20.0
55.05510	63.2
57.03437	25.6
63.35542	2.0
65.03941	4.6
67.05502	68.5
69.03410	7.2
69.07066	39.9
71.04990	9.1
71.57897	3.8
73.02913	2.2
79.05492	67.6
81.03421	22.2
81.07055	100.0
83.04987	24.2
83.08610	28.9
84.08144	24.3
85.02911	9.9
85.06539	6.4
91.05479	36.1
91.06017	4.1
93.07040	50.4
95.04961	25.7
95.08604	40.0
97.02879	3.8
97.06540	16.7
97.10160	49.2
98.09687	16.3
99.04429	4.0
99.08083	14.0
100.07610	28.1
103.05472	2.2
105.07035	26.6
107.04949	13.5
107.08592	37.1
109.02834	2.1
109.06507	12.9
109.10139	20.2
111.04433	23.6
111.08070	13.6
112.11239	7.2
115.07548	2.4
117.06979	10.8
119.04953	3.7
119.08594	27.9
121.06513	10.3
121.10137	18.2
123.04362	2.8
123.08062	43.5
123.11732	6.1
125.06011	2.8
125.09624	46.7
127.07561	2.4
128.06212	2.4
129.05482	2.2
129.07022	7.1
129.13849	4.2
131.04947	2.8
131.08551	16.2
133.06496	2.6
133.10118	9.9
135.04335	2.6
135.08052	11.6
135.11658	16.4
137.09612	8.6
139.11206	3.3
143.08594	5.2
143.10727	3.1
145.06458	2.6
145.10080	17.5
147.04428	5.1
147.08063	9.3
147.11676	10.6
149.01184	2.5
149.09578	11.4
149.13271	4.9
153.09097	5.2
153.12770	9.1
155.08565	4.0
157.10132	6.4
159.11708	6.8
161.09579	5.7
163.03899	6.2
163.11163	22.4
165.09102	7.9
169.10208	2.5
169.13400	9.1
170.19023	5.0
171.10194	2.8
171.11652	3.2
171.14915	9.3
173.09634	3.8
175.03891	5.6
175.11165	5.8
177.05435	3.5
179.10722	3.3
181.12222	12.0
185.13194	3.0
187.11263	2.6
189.11197	39.7
189.12700	3.1
191.10666	8.5
193.12296	10.9
196.20757	3.0
199.07611	3.2
207.06528	7.6
217.15834	2.7
220.60367	2.9
223.13293	4.5
227.12769	13.8
227.17964	3.9
238.21677	3.7
245.13857	4.2
247.07748	2.1
255.17575	3.9
267.09494	2.7
273.18524	22.3
291.19531	59.6
293.13760	2.3
309.29004	3.9
315.04919	8.3
365.23077	6.9
383.10797	12.5
383.15115	7.4
383.24127	19.7
383.37396	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	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84973	1.9
53.03938	7.2
55.01870	23.0
55.05510	60.4
57.03437	23.3
58.86279	1.7
59.04977	2.8
65.03911	2.2
67.05505	74.6
68.63691	1.6
68.75957	1.5
69.03403	9.9
69.07066	35.7
69.47997	14.9
71.04974	6.5
73.02921	2.2
78.53900	2.2
79.05489	72.2
81.03410	22.1
81.07053	100.0
83.04980	28.2
83.08616	32.3
84.08146	18.6
85.02913	10.2
85.06551	2.9
91.05478	35.9
93.07042	46.9
95.04974	22.9
95.08598	35.9
97.02876	4.9
97.06509	13.2
97.10165	48.7
98.09674	10.0
99.04445	4.5
99.08075	7.6
100.07615	22.1
103.05440	2.2
105.07031	27.3
107.04958	10.7
107.08592	33.8
108.48418	1.7
109.02850	2.0
109.06499	8.5
109.10159	20.6
111.04438	24.4
111.08067	13.4
112.11230	9.2
113.06007	2.6
115.05439	3.1
115.07565	3.5
117.07001	15.2
119.08569	28.7
121.06509	7.3
121.10130	21.0
123.04488	2.4
123.08067	50.6
123.11653	3.1
125.09623	48.0
127.07539	2.4
129.05418	2.4
129.06996	6.6
129.13840	3.8
130.07674	2.7
131.04887	2.5
131.08572	18.7
133.06490	3.1
133.10121	15.6
135.08069	15.7
135.11681	15.5
137.09605	10.7
143.08551	6.5
143.10670	3.9
145.06421	3.0
145.10117	17.9
147.08018	6.8
147.11678	10.1
149.08563	2.3
149.09570	10.6
149.13232	3.3
151.50478	2.0
153.09077	7.1
153.12718	10.0
155.08540	2.3
157.10104	6.4
159.11691	5.2
161.09615	5.4
163.11194	21.9
165.09087	6.1
169.13335	8.3
170.18982	3.6
171.10136	3.0
171.11595	2.9
171.14906	8.3
173.09598	5.9
173.11746	2.4
175.11192	7.1
177.05414	2.1
177.12718	1.9
181.12222	15.5
187.11108	2.3
189.11194	44.7
191.10672	9.1
193.12244	9.4
195.11572	2.0
203.10573	2.3
205.12234	2.6
209.11752	4.3
211.13293	3.4
214.19092	1.9
223.13289	4.1
227.12747	12.9
227.18025	4.0
238.21548	2.5
245.13760	2.2
245.19092	3.4
255.17310	2.5
263.20090	2.6
273.18494	26.2
291.19537	53.3
293.08090	1.9
309.20569	4.1
315.04932	2.5
352.12970	2.2
365.23102	8.2
383.10809	3.1
383.15091	4.6
383.24466	17.5
383.33850	1.8
383.37469	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.9
53.03937	4.2
53.62318	3.1
55.01872	27.9
55.05508	36.9
57.03429	23.6
58.82692	2.9
59.04994	5.2
67.05503	100.0
67.29555	2.8
69.03432	9.1
69.06721	5.0
69.07067	56.9
70.19050	6.3
70.19440	8.5
71.04997	8.6
71.08644	5.0
71.56371	2.7
72.76939	3.1
72.93322	2.5
73.02904	7.1
74.13371	3.1
75.03730	3.0
79.05495	44.1
81.03428	13.9
81.07055	69.0
83.05000	16.2
83.08625	24.5
84.08132	21.6
85.02943	5.5
85.06548	4.5
90.27773	3.0
91.05479	35.6
93.07044	37.9
95.04980	21.2
95.08612	27.6
97.02944	3.6
97.06516	15.7
97.10181	22.2
98.09689	11.4
99.08085	4.4
100.07613	32.6
101.67188	2.9
105.07034	28.2
107.04963	8.0
107.08588	28.5
109.06535	7.4
109.10150	64.8
109.10833	5.1
111.04480	4.3
111.08067	5.5
112.11236	5.9
116.04723	6.4
117.07028	10.4
119.08572	22.5
120.14581	3.1
121.06510	7.4
121.10161	9.6
123.08064	19.3
123.11735	4.4
125.09613	17.5
129.05470	26.5
129.06979	6.4
129.13908	4.9
131.08589	15.1
133.06587	3.1
133.10123	18.1
135.08055	9.4
135.11667	5.5
137.02345	4.2
137.09628	9.3
143.07053	6.1
143.08543	6.2
145.10150	12.2
147.08012	6.5
147.11696	3.8
149.09607	9.5
149.13269	3.8
151.11212	4.3
155.10583	3.9
157.08607	12.9
157.10060	4.9
159.08002	3.1
159.11687	5.4
161.09583	5.5
161.13289	4.3
163.11194	8.4
165.09129	3.8
169.13448	6.7
170.19067	4.6
171.10254	4.7
171.11630	4.8
173.11745	13.3
175.11223	7.2
179.10541	3.4
187.11255	3.7
187.13286	5.3
189.11205	14.2
193.10667	3.5
193.12190	14.7
213.23247	3.6
227.12799	5.9
229.14328	3.7
238.21596	3.5
245.13881	4.9
245.19038	5.2
255.17525	3.7
273.18460	22.9
285.16922	6.0
291.19531	41.4
309.29117	3.8
315.05090	16.2
341.06442	7.9
365.23303	18.4
383.11188	20.9
383.24521	23.1
383.37451	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.6
55.01853	16.7
55.05505	31.9
56.05021	4.7
57.03423	17.2
58.06591	5.1
67.05178	6.3
67.05508	100.0
69.03417	8.5
69.07052	21.5
69.51368	30.0
69.51778	10.9
71.04991	7.1
72.08198	4.0
79.05492	57.0
80.07536	4.0
81.03419	9.6
81.07050	92.3
83.04973	16.0
83.08612	16.5
84.08148	39.2
85.06532	6.0
90.96464	5.3
91.05478	66.4
93.07042	54.0
95.04956	23.2
95.08615	45.3
97.06545	8.6
97.10147	7.3
98.09682	22.5
100.07602	53.1
105.07033	57.3
107.04938	18.8
107.08605	35.4
109.06513	14.0
109.10166	71.2
111.08015	9.0
112.11230	18.0
117.07012	17.2
119.08569	23.2
121.06490	10.0
121.10114	12.9
123.04433	5.2
123.11684	12.1
129.07025	8.4
129.13864	8.9
131.08533	16.1
133.06496	16.0
133.10139	58.5
135.08054	18.0
135.11700	11.0
136.76424	4.8
137.09599	6.3
143.27466	4.9
145.10100	18.3
147.08061	10.8
147.11636	11.8
149.09605	12.4
149.13264	7.2
151.11177	35.1
157.10100	6.9
159.08095	7.7
159.11642	5.9
161.09615	10.9
163.11086	6.0
169.13374	13.9
170.19052	6.7
171.11774	5.9
171.14886	15.6
173.09560	6.1
173.11794	7.0
175.11171	10.4
177.09044	6.3
192.19214	5.9
193.12248	11.3
196.42854	4.8
211.13283	8.1
214.19237	5.6
215.12654	7.0
217.39899	4.5
238.21585	6.6
245.18832	8.3
253.14403	9.7
263.19992	12.2
269.13812	5.9
271.15295	5.8
273.18472	28.5
285.17038	8.8
291.19562	45.1
309.29105	6.3
365.23315	33.4
383.19003	5.5
383.23846	24.0
383.37448	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71996	4.8
55.01862	16.9
55.05509	47.8
57.03434	12.7
67.05500	100.0
69.03420	9.5
69.07056	31.6
70.99319	16.2
71.04988	8.4
78.72523	6.2
79.05489	66.6
81.03402	18.1
81.07049	94.6
83.04989	13.8
83.08598	13.5
84.08115	11.6
91.05486	71.5
93.07046	63.0
95.04958	21.1
95.08587	39.3
97.10168	12.6
98.09692	6.9
100.07613	40.4
105.07018	53.4
105.63705	5.3
107.04944	21.3
107.08595	45.6
109.06504	14.7
109.10142	63.9
111.04425	7.1
111.08061	12.6
112.11218	8.1
117.07000	15.8
119.08562	28.5
121.06516	11.6
121.10148	18.2
123.08038	15.5
123.11677	5.8
125.09646	10.4
129.07040	9.9
131.08562	29.8
133.06500	12.1
133.10107	45.3
135.08018	14.4
135.11670	12.7
142.07726	5.2
143.08527	13.1
145.10112	15.7
147.08032	15.4
147.11612	6.6
149.09601	22.2
151.11142	26.0
157.10123	10.1
159.08038	8.8
159.11710	9.9
161.09604	17.0
161.13406	6.4
165.09050	6.2
169.13400	7.8
171.11646	10.8
171.14842	6.4
173.11787	13.2
175.11205	15.8
177.09111	10.5
189.11235	8.2
193.12120	6.9
223.13319	5.3
238.21664	5.4
245.19006	19.6
253.14198	9.7
255.17378	5.7
263.20261	8.6
273.18497	42.4
291.19525	82.5
365.23257	71.3
383.24338	16.0
383.37283	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	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	23.3
55.05515	32.0
57.03433	41.3
57.64445	5.8
61.12490	5.5
65.03925	7.7
67.05171	8.5
67.05504	100.0
67.73798	5.1
69.03416	9.0
69.07059	17.2
70.24114	21.8
71.05008	7.1
79.05490	53.0
81.03429	6.8
81.07057	71.7
83.04983	15.8
83.08635	12.4
84.08158	34.8
85.06541	33.0
91.05470	43.0
93.07048	39.5
95.04971	67.1
95.08619	32.2
97.06527	17.5
98.09693	17.1
100.07612	38.1
105.07062	31.8
107.04951	15.1
107.08588	25.0
109.02838	6.0
109.06521	61.9
109.10138	47.8
111.04410	12.3
112.11223	13.0
113.05999	76.0
114.80115	5.7
117.07005	16.5
119.08575	27.7
121.06490	14.3
121.10149	15.9
123.08081	11.0
125.09606	8.2
129.05533	7.7
129.06982	13.3
129.13893	7.5
131.08548	21.2
133.10135	27.7
135.08052	48.4
135.11670	14.5
137.05978	23.9
143.08488	6.1
145.10139	16.0
147.08063	6.9
147.11684	11.2
149.09654	13.3
151.11151	11.8
157.10103	8.2
159.11644	10.9
161.09657	13.1
169.10234	6.3
169.13391	9.8
170.19035	6.7
171.14964	7.5
173.11729	8.2
185.13231	5.6
217.15837	13.7
255.17493	5.5
273.18585	39.3
277.18042	15.2
291.19531	77.0
292.19977	7.3
309.28879	6.8
365.23044	17.3
383.10916	9.4
383.24518	10.2
383.37335	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01876	14.9
55.05511	30.3
57.03427	10.1
57.07051	3.9
59.04989	2.9
63.32566	2.5
65.03923	4.3
67.05502	100.0
69.03407	5.8
69.07070	18.5
71.04974	6.5
79.05492	44.0
81.03403	5.6
81.07051	82.4
83.04960	12.1
83.08618	16.3
84.08144	39.6
85.02874	2.9
85.06515	6.3
91.05471	51.5
93.07040	55.4
95.04964	18.2
95.08607	40.5
97.06525	8.8
98.09695	26.2
98.21613	5.0
99.08081	3.4
100.07608	68.6
103.62749	2.5
105.07030	47.6
107.04960	14.5
107.08582	39.8
109.06536	16.1
109.10151	64.8
111.04454	6.2
111.08044	9.5
112.11207	19.1
117.07001	15.3
119.04923	2.7
119.08570	30.0
121.06488	14.1
121.10123	24.1
123.08061	11.8
123.11646	7.0
125.09612	4.2
125.22422	2.7
128.06219	4.1
129.06967	10.0
129.13860	8.0
131.04857	2.4
131.08560	24.8
133.06519	12.3
133.10123	43.8
135.08009	14.5
135.11685	9.8
137.05954	7.2
137.09590	10.8
139.07495	4.2
139.11191	3.6
141.07011	4.5
143.08545	10.9
145.10124	14.9
147.08049	11.4
147.09099	2.6
147.11694	12.2
149.09628	18.3
151.07578	8.0
151.11201	20.4
155.08623	3.0
155.10645	2.4
157.10117	13.6
159.08046	6.7
159.11681	7.0
161.09583	15.9
161.13306	4.9
163.11186	6.9
165.09132	7.5
169.10085	3.4
169.12122	4.5
169.13358	11.5
170.19043	8.3
171.11673	7.6
171.14948	10.2
173.09541	3.2
173.11705	8.0
173.13156	5.8
175.09686	2.9
175.11189	11.6
175.14984	3.0
177.09079	8.7
179.10591	3.6
181.10182	2.7
183.11713	4.7
185.13298	3.9
187.11212	4.7
189.12808	4.0
193.12212	5.0
199.11082	3.5
203.14281	5.7
207.13934	5.5
213.16356	2.8
221.15355	8.6
227.68037	2.8
238.21733	7.7
245.19003	10.0
251.12688	2.9
253.14445	15.5
255.17387	4.0
263.20044	8.8
269.13806	3.2
271.15347	9.7
273.18472	41.3
277.18158	3.2
287.20090	3.8
291.19559	44.3
309.20520	5.1
309.28958	10.5
315.04938	3.4
365.23218	33.4
383.24643	14.5
383.37433	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30982	2.9
53.03950	6.4
55.01876	9.3
55.05507	25.5
57.03434	12.2
58.06598	6.7
65.03935	6.9
67.05503	100.0
69.03426	5.0
69.07072	20.1
71.04974	6.1
72.04530	8.1
72.08138	3.4
79.05494	34.3
81.03416	6.3
81.07052	62.0
83.04986	10.2
83.08615	10.4
84.07661	2.0
84.08142	60.1
85.06545	7.4
87.87114	3.5
91.05477	43.6
93.07034	39.9
95.04968	15.0
95.08588	24.8
97.06527	6.2
97.10157	7.0
98.09694	32.7
99.04465	4.4
100.07619	78.4
105.07034	35.3
107.04939	7.6
107.08591	35.0
109.06524	11.4
109.10149	77.3
111.08068	9.1
112.11234	23.8
117.06995	5.5
119.08582	24.1
121.06519	7.6
121.10144	13.4
123.04372	3.7
123.08053	6.3
123.11728	5.2
125.09634	4.7
129.06961	6.8
129.13902	11.6
130.07701	3.4
131.08591	13.9
133.06540	7.9
133.10123	28.5
135.08026	12.2
135.11696	8.0
137.05997	4.7
137.09602	6.2
139.07571	4.4
143.08578	8.1
145.10136	7.3
147.08057	11.3
147.11690	10.7
149.09578	11.0
151.11160	15.2
157.10085	5.8
159.11684	6.6
161.09668	10.2
161.13264	4.9
163.11180	4.3
169.13391	22.3
170.19057	12.8
171.11754	7.2
171.14958	16.0
173.11749	22.6
173.13113	4.9
175.11151	11.5
179.82060	3.7
189.12714	4.1
193.12268	6.8
237.46147	3.5
238.21735	9.1
245.18922	7.2
253.14369	8.9
263.19980	5.2
269.13791	5.7
273.18439	17.8
291.19464	37.5
291.21899	4.1
309.29037	8.3
365.23193	26.6
366.26740	4.5
367.00519	4.0
383.24203	12.9
383.37384	73.4
387.36819	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	383.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57030	0.8
52.14946	0.8
55.05498	3.2
56.05015	0.9
57.03422	0.8
57.07074	1.1
58.06594	0.8
67.05505	5.0
68.05023	1.3
69.07069	2.7
70.06589	0.9
70.74224	2.4
72.04530	1.0
72.08150	0.8
77.53442	0.7
79.05475	3.5
80.05023	1.3
81.07042	3.8
82.06575	1.7
83.04997	0.9
83.08633	0.9
84.08149	11.4
86.06030	0.9
89.14625	0.9
91.05478	4.3
93.07041	7.3
94.06590	1.5
95.04952	1.3
95.08595	4.3
96.08117	1.5
97.02856	0.9
97.06496	1.5
98.06035	1.6
98.09703	6.3
100.07618	14.0
100.11255	2.1
103.05473	0.8
105.07013	2.0
107.08610	3.6
108.08090	2.4
109.10158	2.5
110.09701	5.5
111.04431	1.2
111.08109	0.9
112.11217	3.9
114.05520	3.2
115.05450	1.8
116.07083	1.0
116.95979	0.7
117.05744	0.9
117.07019	3.0
118.06539	37.8
119.08593	2.4
121.10115	1.1
121.81422	0.9
122.09653	2.3
123.10411	1.8
124.11218	1.6
129.13901	1.5
130.06538	10.3
131.08612	1.5
135.11649	3.0
136.06190	1.8
136.11165	0.8
137.02362	0.9
142.06519	3.5
143.07288	3.4
143.08409	0.9
144.08084	21.5
145.02794	1.0
146.06007	91.2
147.06346	1.3
149.02367	1.8
150.12753	4.9
152.14340	100.0
154.15897	2.2
156.08110	1.4
156.10202	0.9
160.07518	1.2
164.14351	1.2
165.07899	1.4
169.07628	0.8
169.13361	2.6
170.06039	7.0
170.19052	1.6
171.14975	2.3
184.11209	2.6
188.07063	62.5
189.07481	1.1
193.04971	2.2
194.05376	2.1
196.16969	55.4
197.17430	1.4
208.13344	3.3
210.14899	14.2
238.21700	2.6
248.08347	0.9
252.16093	1.8
254.17526	9.5
254.58884	0.8
291.19592	1.1
309.28888	1.1
315.05130	0.9
339.20688	46.9
340.21085	1.5
353.09824	0.9
365.15659	0.9
383.10953	1.6
383.15613	1.6
383.23285	64.1
383.37317	12.3
384.23596	1.2
384.95694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74894	0.9
52.81829	0.9
55.05510	4.2
57.03421	3.1
67.05492	6.6
68.05019	1.3
69.07063	3.6
70.06564	1.6
70.07907	5.0
71.04983	1.9
71.70757	0.9
72.04523	2.3
77.17387	1.0
79.05489	5.9
80.05009	6.2
81.03404	1.2
81.07046	9.3
82.06588	2.3
83.04963	1.4
83.08624	3.0
84.08138	15.8
88.03981	1.3
90.29162	1.0
91.05469	7.2
93.07057	9.1
95.04948	2.8
95.08593	4.9
96.08115	1.9
97.10188	1.7
98.06037	10.6
98.09689	9.1
98.20824	1.6
100.07604	19.1
105.07032	4.3
107.04957	2.2
107.08606	5.0
108.08131	1.9
109.06532	1.2
109.10158	3.1
110.09673	5.6
112.11234	6.1
114.05524	4.4
115.05502	2.7
116.07048	1.7
117.07011	3.1
118.06537	41.5
119.08587	3.9
120.04541	1.3
121.10149	3.1
122.09647	2.5
123.08012	1.3
123.10467	1.3
123.11697	1.9
124.11212	1.8
125.09728	1.8
129.06993	1.5
129.13878	2.6
130.06519	13.0
131.08566	1.3
132.08002	1.2
133.10121	1.8
135.11688	4.5
136.06224	3.2
138.05502	2.5
142.06541	4.1
143.07309	5.0
144.08086	25.6
146.06003	100.0
147.04420	1.3
148.03963	1.6
149.09700	1.5
150.12810	5.2
152.14330	98.7
156.08096	1.2
159.11700	1.9
160.07597	1.6
163.03952	1.7
164.14354	2.1
164.66805	1.1
165.07872	2.0
169.13335	4.9
170.06020	8.5
170.19035	3.1
171.14926	3.1
175.03917	1.4
178.15941	3.1
184.11311	2.3
184.13292	1.0
185.04196	1.7
188.07054	76.0
189.11128	1.5
196.16951	52.3
196.20667	1.8
204.62241	1.0
208.09669	1.1
208.13370	2.8
210.14876	12.0
212.85818	1.1
215.08336	1.1
221.11462	13.8
238.21706	2.1
254.17482	14.6
267.11356	3.4
291.19620	1.6
309.29031	3.1
315.04962	1.3
339.20679	42.3
365.11597	2.1
383.11548	3.2
383.16748	30.4
383.23267	77.6
383.37393	19.4
384.23642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.0
55.01858	13.4
55.05497	12.7
57.03412	13.9
59.04989	6.6
61.02916	9.3
65.03913	5.6
67.05495	24.4
68.99763	17.1
69.03092	4.7
69.03435	77.2
69.07052	14.4
69.50813	41.4
70.06573	13.6
71.01317	7.3
71.04990	63.1
72.08144	8.9
73.02919	5.0
79.05486	32.2
81.03418	39.9
81.07066	36.9
83.04984	11.1
84.08152	26.0
85.02900	61.0
86.09700	5.1
87.00822	43.5
87.04457	6.1
91.05473	57.8
93.07035	56.5
95.01284	5.8
95.04963	23.4
95.08617	27.5
97.02894	44.2
97.06562	5.5
98.09678	9.4
98.21106	19.1
99.04473	5.7
100.07605	30.8
103.03914	4.9
103.05449	14.7
105.01872	11.2
105.07024	100.0
107.04930	14.8
107.08582	58.1
109.02847	10.3
109.06512	21.1
109.10134	33.3
111.04434	15.3
112.11242	8.2
113.02419	5.8
115.03902	11.1
115.05446	12.8
117.01904	6.0
117.07028	29.6
119.04937	18.5
119.08577	54.8
121.06497	44.4
121.10158	39.4
123.04411	20.3
123.08054	20.5
123.11686	19.0
125.05991	5.1
127.03920	9.0
128.06201	10.6
129.01862	10.0
129.06973	16.0
130.07762	13.2
131.04898	8.1
131.08565	28.5
133.06512	21.3
133.10120	26.3
135.04373	9.9
135.08009	20.2
135.11659	25.7
137.05931	7.0
137.09618	14.8
137.13248	5.7
143.08566	21.7
145.06485	8.9
145.10132	45.5
147.04393	17.4
147.08072	26.1
147.11656	23.5
149.05983	5.1
149.09627	14.7
149.13251	5.6
151.07513	5.7
151.11137	11.1
153.06990	8.5
155.08553	14.6
157.06517	5.7
158.07300	6.5
159.02887	12.3
159.08026	12.1
159.11691	18.6
161.09668	7.3
161.13310	5.0
163.07541	6.5
163.11168	29.3
165.12737	16.1
171.02875	7.5
171.08051	10.5
171.11703	5.9
171.14879	4.7
173.09586	51.1
173.13225	6.1
175.07526	19.7
175.11163	10.2
177.12767	34.9
178.33583	5.0
179.14238	7.0
187.11140	7.9
189.03947	6.4
189.09074	10.5
189.12767	13.8
191.10640	36.6
191.14433	4.9
193.12202	14.0
197.13281	6.4
201.03966	16.6
201.09143	7.2
201.12767	5.7
203.14201	6.0
205.12291	4.7
207.06520	16.9
207.13768	10.0
209.07899	6.5
215.14261	11.8
217.12213	7.0
219.13786	12.9
225.12686	7.5
233.15326	9.5
243.13744	35.6
247.06129	8.1
261.14859	39.3
267.41071	3.8
273.86542	4.0
279.15866	23.0
321.17148	5.0
359.32050	4.7
365.15823	16.1
382.35995	5.3
383.16684	15.3
383.36765	11.1
400.86743	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	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63567	4.0
53.03941	10.5
55.01873	22.2
55.05508	26.7
57.03416	7.0
57.07054	6.6
58.62702	4.8
58.84185	4.3
59.01091	4.7
59.04992	6.3
60.90860	4.6
61.02919	9.4
62.25757	4.5
65.97649	5.0
67.05506	30.3
67.55947	4.6
68.99786	9.3
69.03077	8.1
69.03429	100.0
69.07059	14.0
69.67165	35.3
70.06578	12.0
71.04990	59.9
72.08154	6.2
77.03924	5.7
79.05496	29.7
81.03411	66.6
81.07051	54.0
81.24509	4.8
83.04980	10.4
83.08634	7.4
84.08142	39.2
85.02897	40.8
87.00816	36.5
91.05480	51.5
93.07041	55.5
95.01338	6.3
95.04962	23.9
95.08589	23.3
97.02880	43.9
98.09695	17.0
99.08096	16.2
100.07603	37.7
100.11235	12.1
103.03955	6.4
103.05463	6.3
105.01886	8.9
105.07037	64.5
107.04960	15.7
107.08595	48.7
109.02862	7.2
109.06515	26.6
109.10137	21.5
111.04456	14.9
112.11235	16.9
115.03979	11.9
115.05463	9.2
117.07020	19.2
119.04942	15.7
119.08582	48.5
121.02891	12.0
121.06516	28.2
121.10119	34.8
123.04433	15.7
123.08090	13.9
123.11736	16.5
127.03929	10.5
127.07556	23.4
128.06219	10.4
129.01918	5.7
129.07008	20.2
129.13898	7.5
130.07776	12.6
131.04941	7.0
131.08554	34.3
133.06485	11.3
133.10141	25.3
135.04407	5.5
135.08070	16.7
135.11708	26.9
137.02397	6.0
137.05969	11.4
137.09608	11.3
137.13217	7.9
142.78314	4.6
143.08578	17.8
145.05022	5.1
145.06476	15.1
145.10106	35.6
147.08041	24.5
147.11684	17.8
149.09628	10.3
151.07570	12.0
151.11177	23.9
152.05688	31.0
153.05978	10.1
155.08572	13.5
157.06335	4.8
157.10074	8.9
159.02870	7.3
159.08017	10.2
159.11717	17.8
161.09642	6.6
161.13251	5.7
163.07578	5.7
163.11189	16.8
165.12791	26.2
169.13387	15.5
171.08035	10.1
171.11667	12.6
171.14905	11.9
173.09616	52.9
173.13293	6.9
175.07582	18.4
175.11206	9.1
176.34956	4.7
177.12743	21.0
183.08058	6.9
183.11589	5.7
189.01979	5.2
189.03976	5.5
189.09135	11.4
189.12712	14.3
191.10655	23.0
193.12337	9.4
197.13199	7.1
201.03949	24.6
201.12781	5.9
205.12265	5.2
207.13835	8.0
215.14198	5.8
219.13802	10.9
225.12712	5.8
233.15411	5.8
238.21707	10.7
243.13773	26.5
261.14877	28.3
279.15970	16.4
296.09814	6.7
299.05579	5.9
323.05490	8.9
325.06818	5.6
339.08810	6.0
347.14832	12.6
349.20816	4.7
365.06650	11.5
365.15897	14.1
365.20038	6.8
383.07590	7.2
383.16046	17.5
383.21002	7.4
383.37427	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
54.15244	0.9
54.19615	0.9
55.01863	3.2
55.05521	7.5
56.05037	1.3
56.17939	0.9
56.96574	1.3
57.03430	2.1
67.05230	0.9
67.05513	10.9
68.05039	1.4
69.03432	2.3
69.07068	5.9
70.06587	2.0
71.04987	4.4
71.58015	2.0
72.04505	1.7
72.08163	1.5
73.02917	1.5
79.05496	9.2
80.05015	5.2
81.03410	3.4
81.07057	17.8
82.06576	1.8
83.04980	2.0
83.08607	3.1
84.08150	18.8
85.02893	1.5
86.09703	1.2
88.03958	1.5
91.05480	10.7
93.07054	14.9
95.04978	3.7
95.08599	11.0
97.02880	2.4
97.06530	3.5
97.10173	3.0
98.06059	10.3
98.09695	11.1
98.97602	1.3
99.04395	0.9
99.08088	2.2
100.07619	26.6
101.69112	0.9
103.05482	1.7
105.07033	9.3
107.04967	2.5
107.08598	9.8
108.08131	2.1
109.06496	2.3
109.10159	7.7
110.09712	5.0
111.04464	2.0
111.08075	2.2
112.11247	7.8
113.05991	1.2
114.05523	4.0
115.05460	3.3
116.07072	2.7
117.06998	4.1
118.06549	39.1
119.04930	1.4
119.08589	5.9
121.06489	2.6
121.10140	4.7
122.09689	1.5
123.08046	2.0
123.10423	1.2
123.11713	3.5
125.06048	1.1
125.09620	3.2
127.11198	4.4
129.07013	1.5
129.13869	3.2
130.06532	14.7
131.08574	4.8
132.08078	1.1
133.10159	7.9
133.22481	0.9
134.99579	1.1
135.04341	1.2
135.08046	1.6
135.11691	4.5
136.06232	1.9
136.27411	0.9
137.02356	1.3
137.06018	2.8
137.09628	1.4
137.13298	2.0
138.05511	3.0
139.11166	0.9
142.06538	3.4
143.07307	4.6
143.08502	1.7
144.08093	25.2
145.06531	1.8
145.10146	2.9
146.06012	100.0
147.04408	2.9
147.08041	2.5
147.11693	4.1
149.09622	1.5
149.13275	2.1
150.12825	4.7
151.11206	2.3
152.14348	89.7
155.10689	1.9
157.10063	1.4
159.11690	3.8
160.07561	1.0
161.13249	1.7
163.03932	6.2
163.11163	1.6
165.07890	2.3
165.12747	1.8
169.13367	6.2
170.06015	8.9
170.19041	4.0
171.11928	0.9
171.14993	5.1
173.09642	1.5
175.03922	2.2
175.07471	1.0
175.11299	1.7
175.14784	0.9
177.05502	1.8
177.12776	1.6
178.15952	2.7
184.11223	1.8
185.04184	3.8
185.13312	1.9
188.07072	75.3
189.07498	1.3
189.11163	1.7
189.12753	2.3
193.12183	2.0
196.16982	48.3
207.06577	4.0
208.13353	4.1
210.14903	10.5
214.19226	1.7
215.08286	1.0
221.11507	46.2
225.16266	1.1
231.68346	1.0
237.02782	1.1
238.21712	2.1
239.12509	1.7
243.10240	1.2
243.17508	1.4
245.44366	1.0
254.17517	13.0
261.18427	2.7
262.14096	2.1
267.11298	1.4
273.18530	2.2
279.19504	6.0
291.19550	2.9
297.20560	1.4
307.09665	0.9
309.28958	3.5
315.04898	1.7
329.24722	2.2
339.20682	45.7
347.25879	2.1
352.13168	1.1
365.26971	1.2
382.36200	1.0
383.12332	3.8
383.16711	90.7
383.23276	86.0
383.27530	4.9
383.37393	23.7
384.17041	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	382.1706
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.61091	6.8
62.46782	7.5
63.47932	8.3
67.05480	7.1
69.03437	8.8
70.06583	17.7
71.57462	13.1
72.04507	11.3
81.03455	7.2
83.53682	6.8
84.04486	11.8
84.08134	12.9
85.02930	16.6
86.09710	9.3
90.05553	74.7
91.05458	12.8
97.02909	15.6
105.07000	7.7
119.04923	20.7
120.08103	43.0
124.07571	9.2
136.07567	19.7
147.04410	32.3
148.04721	15.9
162.09174	14.1
184.09717	21.3
202.10793	18.2
207.11348	39.1
220.11813	100.0
221.12747	16.7
235.10919	7.8
364.02063	7.7
383.09494	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	383.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01863	3.8
56.05013	2.3
56.96551	1.7
60.04509	1.8
61.02913	8.6
66.83253	1.5
67.05484	2.9
68.99784	12.1
69.03422	3.6
70.06593	24.0
70.39510	6.8
72.08141	3.2
73.49816	1.4
74.06087	1.5
81.07065	2.1
84.04498	4.5
84.08131	11.7
85.02890	4.8
86.09713	4.3
87.00819	4.3
91.05452	13.3
93.07047	3.4
95.04964	2.7
97.02896	6.1
98.06080	1.8
98.09684	2.8
100.07613	3.3
101.07149	2.1
103.05451	9.5
105.07005	3.6
107.04953	6.8
109.02880	1.8
110.07155	1.9
111.04456	8.1
113.87175	1.4
115.05428	4.8
115.08689	2.5
116.06280	1.9
116.98496	2.9
117.07027	7.3
119.04935	15.2
120.08065	1.6
121.02849	2.1
121.06514	8.2
123.04422	4.2
129.01802	7.8
129.10229	3.8
130.05014	1.9
131.04903	10.9
133.06509	4.3
135.04391	3.8
137.02312	3.1
141.05455	2.7
144.05707	3.0
145.06462	12.7
146.03587	5.3
147.02925	4.3
147.04402	33.7
149.05937	8.0
151.07481	1.8
154.02597	10.4
155.04924	1.8
159.04459	3.4
160.97461	1.8
161.05974	3.4
162.03123	2.0
163.03891	4.0
163.07495	2.3
164.04697	8.3
164.96941	2.9
167.00134	1.8
169.04988	16.7
170.05742	4.2
172.05190	6.3
173.05914	9.2
174.03171	2.8
175.03894	5.0
176.04610	3.7
177.05457	21.4
178.02673	2.6
178.98442	1.9
179.03354	2.2
179.07138	2.1
181.05103	3.7
181.12613	1.7
183.06586	2.7
187.03903	6.0
189.05424	2.4
190.06204	5.0
191.07065	4.3
192.04144	9.8
193.04912	7.4
194.05769	2.3
197.01112	3.0
197.04506	2.5
200.04669	7.5
201.05444	11.0
203.03389	8.1
205.04900	9.0
205.08566	2.0
207.02940	4.7
207.06500	30.1
209.04492	3.7
209.08086	7.2
213.12456	2.9
215.03476	2.1
218.05736	5.2
219.06491	8.2
221.04361	2.5
221.08159	2.2
222.05257	9.4
223.06128	1.7
228.04427	1.8
229.04935	5.1
231.02866	4.4
233.08070	31.6
235.05927	8.7
237.02800	1.6
237.07526	18.9
238.98409	3.3
246.05290	3.2
247.06039	9.7
251.08943	3.4
253.97148	2.5
255.00081	6.2
261.07535	32.2
264.06256	4.8
269.47418	1.7
279.08615	100.0
280.08929	1.7
358.27966	1.8
365.08813	2.3
383.02658	3.2
383.23318	2.4
385.51025	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.8
55.01869	42.2
55.05263	3.1
55.05510	40.2
57.03434	47.6
57.07068	2.8
60.22863	2.1
65.03923	8.8
67.05502	89.3
69.03419	11.1
69.07064	27.4
70.06570	3.3
71.04990	7.4
71.58843	3.8
72.08124	4.0
73.02926	3.3
75.43017	2.2
77.03903	2.7
79.05492	99.5
80.06260	5.4
81.03419	19.3
81.06583	4.4
81.07056	79.5
82.04204	2.4
82.07399	3.1
83.01332	11.1
83.04979	40.4
83.08596	9.5
84.08141	24.1
85.02874	6.0
85.06525	6.1
91.05475	93.3
93.07043	71.9
95.04970	74.7
95.08602	53.3
96.05750	2.8
97.02898	11.5
97.06521	13.2
97.10148	8.6
98.07305	4.3
98.09665	13.4
99.08067	2.9
100.07607	34.9
103.05444	6.4
105.07030	67.3
107.04951	100.0
107.08596	29.1
108.05740	5.8
109.06512	37.5
109.10130	23.7
110.07297	4.3
111.04439	10.9
111.08080	7.3
112.05209	7.0
112.11232	12.8
113.06003	9.5
115.05431	8.2
116.04684	3.1
116.06180	2.6
117.07001	39.1
119.04927	9.8
119.08583	44.3
120.05692	3.5
121.02841	2.9
121.06505	27.1
121.10133	21.2
122.07293	23.8
123.04430	10.6
123.08073	12.0
123.11688	4.8
125.05962	8.2
125.09603	3.5
126.27077	2.6
128.06242	7.2
129.05493	9.7
129.06998	18.8
129.13861	6.1
131.04932	5.6
131.08563	39.7
131.71513	2.9
133.06490	37.7
133.10118	23.7
135.04364	4.5
135.08032	22.3
135.11681	10.7
136.08839	4.2
137.05896	4.1
137.09584	9.7
141.06970	9.1
142.07747	4.7
143.08551	13.5
145.06483	20.7
145.10112	26.7
147.08040	36.1
147.11670	9.9
149.06027	4.2
149.09599	10.7
149.13260	3.7
151.07547	6.1
151.11176	3.7
155.08565	8.0
157.06470	3.6
157.10150	8.5
159.08002	8.6
159.11664	11.2
161.09624	23.6
161.13284	2.9
162.10381	6.8
163.07538	5.2
163.11172	15.2
165.09093	7.4
166.09605	2.5
168.17479	8.5
169.10095	8.8
169.13295	5.9
171.11699	12.8
171.14902	6.2
173.09618	6.4
173.13322	11.5
175.11183	8.9
177.09082	4.4
177.12799	5.1
183.08029	3.1
184.23524	2.8
185.13283	4.9
187.11171	4.9
187.14789	10.8
189.12726	7.4
197.13226	7.3
205.15883	9.1
215.11053	2.5
215.14388	18.0
217.15800	3.0
233.15366	63.8
243.13814	4.9
248.95563	2.5
251.16460	7.9
261.14880	8.4
261.18558	4.9
271.16833	4.0
273.18484	8.1
275.20163	2.9
277.10120	4.8
287.28757	2.7
289.17929	10.5
290.18726	7.4
307.19028	31.3
307.27261	3.4
311.96545	2.5
335.18494	56.6
336.18811	3.4
358.12689	5.6
381.22598	22.4
381.35831	35.0
394.88156	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.0
55.01876	34.7
55.05517	27.1
57.03189	3.7
57.03436	45.5
57.07072	4.2
65.03927	7.0
67.05175	4.6
67.05508	65.6
69.03425	8.7
69.07084	21.2
69.87309	16.6
70.06582	3.3
71.04996	4.5
72.04504	3.4
79.05497	70.8
80.06254	3.9
81.03417	15.3
81.07056	68.3
83.01324	9.3
83.04990	39.2
83.08613	10.7
84.04510	3.7
84.08142	39.1
85.02872	4.2
85.06519	3.7
91.05479	76.1
93.07037	53.4
95.04968	56.1
95.08606	35.2
96.05732	6.0
97.02881	10.9
97.06504	6.6
98.09708	16.9
100.07623	37.8
103.05458	3.7
105.07031	60.1
107.04959	100.0
107.08607	29.2
108.05744	6.8
109.06520	30.6
109.10170	15.0
109.73358	3.2
110.07262	5.2
111.04456	7.5
111.08054	5.2
112.05224	6.2
112.11207	16.1
113.00028	5.4
113.06017	4.3
115.05457	9.0
116.04688	3.4
117.07041	32.7
119.04934	8.8
119.08591	30.0
120.05704	2.7
121.06491	21.2
121.10162	18.1
122.07294	15.0
123.04424	7.3
123.08043	10.4
125.05988	4.1
125.76774	3.7
126.88917	3.4
128.06194	5.3
129.05515	5.6
129.06992	10.5
129.13860	6.9
131.04924	5.3
131.08549	36.7
133.06468	25.6
133.10143	17.6
135.04510	3.7
135.08067	14.4
135.11670	12.6
137.05991	5.7
137.09602	6.1
141.06976	6.5
143.08562	13.9
145.06468	19.6
145.10101	21.7
147.08055	26.6
147.11696	8.9
149.09630	9.0
149.13257	5.2
151.07472	2.9
155.08557	8.3
157.10149	5.0
159.08051	8.0
159.11711	9.9
160.21001	3.0
161.09592	21.5
161.13315	3.1
162.10368	4.5
163.11154	8.9
165.09123	9.1
168.09242	3.4
168.17479	9.5
169.02612	3.4
169.10126	4.4
169.13351	6.8
171.11650	9.6
171.14899	10.4
173.09711	4.1
173.13213	10.1
174.09091	6.4
175.11131	7.6
177.12732	3.0
187.14812	9.7
189.12679	3.8
191.14209	3.6
192.52750	3.1
197.13295	7.3
201.12692	3.4
205.15881	10.3
215.14296	13.4
222.78613	2.9
233.15369	44.5
251.16487	7.3
261.14853	10.0
261.18378	3.5
262.15094	3.7
269.17386	5.9
273.18430	11.3
290.18668	3.9
306.08734	3.2
307.19003	18.7
307.27298	8.7
335.18527	51.8
336.18942	3.8
363.27411	3.4
381.22781	19.6
381.31494	4.4
381.35849	34.6
393.51111	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	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37983	0.4
53.93913	0.4
56.79078	0.4
69.67216	1.1
69.67640	2.2
75.44133	0.4
84.57539	0.5
98.21486	0.9
99.14465	0.5
111.12923	0.5
140.85547	0.5
201.01582	5.1
219.02699	3.6
276.58109	0.5
381.07941	100.0
382.08331	2.1
403.15482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.0
55.01876	34.7
55.05517	27.1
57.03189	3.7
57.03436	45.5
57.07072	4.2
65.03927	7.0
67.05175	4.6
67.05508	65.6
69.03425	8.7
69.07084	21.2
69.87309	16.6
70.06582	3.3
71.04996	4.5
72.04504	3.4
79.05497	70.8
80.06254	3.9
81.03417	15.3
81.07056	68.3
83.01324	9.3
83.04990	39.2
83.08613	10.7
84.04510	3.7
84.08142	39.1
85.02872	4.2
85.06519	3.7
91.05479	76.1
93.07037	53.4
95.04968	56.1
95.08606	35.2
96.05732	6.0
97.02881	10.9
97.06504	6.6
98.09708	16.9
100.07623	37.8
103.05458	3.7
105.07031	60.1
107.04959	100.0
107.08607	29.2
108.05744	6.8
109.06520	30.6
109.10170	15.0
109.73358	3.2
110.07262	5.2
111.04456	7.5
111.08054	5.2
112.05224	6.2
112.11207	16.1
113.00028	5.4
113.06017	4.3
115.05457	9.0
116.04688	3.4
117.07041	32.7
119.04934	8.8
119.08591	30.0
120.05704	2.7
121.06491	21.2
121.10162	18.1
122.07294	15.0
123.04424	7.3
123.08043	10.4
125.05988	4.1
125.76774	3.7
126.88917	3.4
128.06194	5.3
129.05515	5.6
129.06992	10.5
129.13860	6.9
131.04924	5.3
131.08549	36.7
133.06468	25.6
133.10143	17.6
135.04510	3.7
135.08067	14.4
135.11670	12.6
137.05991	5.7
137.09602	6.1
141.06976	6.5
143.08562	13.9
145.06468	19.6
145.10101	21.7
147.08055	26.6
147.11696	8.9
149.09630	9.0
149.13257	5.2
151.07472	2.9
155.08557	8.3
157.10149	5.0
159.08051	8.0
159.11711	9.9
160.21001	3.0
161.09592	21.5
161.13315	3.1
162.10368	4.5
163.11154	8.9
165.09123	9.1
168.09242	3.4
168.17479	9.5
169.02612	3.4
169.10126	4.4
169.13351	6.8
171.11650	9.6
171.14899	10.4
173.09711	4.1
173.13213	10.1
174.09091	6.4
175.11131	7.6
177.12732	3.0
187.14812	9.7
189.12679	3.8
191.14209	3.6
192.52750	3.1
197.13295	7.3
201.12692	3.4
205.15881	10.3
215.14296	13.4
222.78613	2.9
233.15369	44.5
251.16487	7.3
261.14853	10.0
261.18378	3.5
262.15094	3.7
269.17386	5.9
273.18430	11.3
290.18668	3.9
306.08734	3.2
307.19003	18.7
307.27298	8.7
335.18527	51.8
336.18942	3.8
363.27411	3.4
381.22781	19.6
381.31494	4.4
381.35849	34.6
393.51111	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	380.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
55.05494	0.2
59.05000	0.1
61.02906	0.2
65.03947	0.1
67.05502	1.8
68.73261	0.1
69.07060	0.4
69.77074	0.6
69.77501	0.4
70.06587	0.3
71.04990	1.5
72.08143	0.2
79.05483	0.6
81.03407	0.3
81.07050	2.2
83.08601	0.3
84.08128	0.3
85.06559	0.2
86.09682	0.1
91.05495	0.7
91.05972	0.1
93.07024	1.1
94.04048	1.1
95.08598	0.6
97.06519	0.3
100.07603	0.4
105.07025	0.4
107.08622	0.8
109.05088	0.3
109.06508	0.2
109.10143	0.2
111.08098	0.2
112.77105	0.1
115.68798	0.1
117.07000	0.3
119.03532	1.5
119.08591	0.3
121.10129	0.4
124.07548	0.2
131.08589	0.2
133.10114	0.5
135.04407	0.1
135.11690	0.5
136.06177	100.0
137.04593	2.2
137.05762	0.4
137.06520	0.8
139.03972	0.2
145.02783	0.1
147.04402	0.2
149.13258	0.7
149.89479	0.1
150.07750	0.3
159.11690	0.4
160.23868	0.1
168.06616	0.1
175.07509	0.3
177.05450	0.2
177.12743	0.2
193.12320	0.2
195.13898	0.4
227.16382	1.2
244.12796	0.2
309.63144	0.2
330.19244	1.1
344.20840	1.4
348.20273	9.8
349.20700	0.5
362.21835	2.2
380.22903	20.5
381.09711	0.4
381.23285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80153	0.6
55.05509	0.9
55.13049	0.6
55.34533	0.6
60.44295	0.6
63.48555	0.6
67.05496	1.8
69.07062	0.9
70.25231	2.4
79.05493	1.2
81.07047	1.3
83.04961	0.9
84.08149	4.9
86.54449	0.6
91.05460	0.7
93.07039	2.1
95.08598	0.8
98.09689	1.3
100.07602	2.9
105.07004	0.8
107.08568	1.0
109.06557	0.8
112.11263	1.3
117.07015	0.8
118.63994	0.7
119.08633	1.0
129.13882	0.9
133.10144	0.9
149.05986	0.7
153.57079	0.7
166.15923	0.8
169.13344	1.1
171.14908	1.2
173.06300	0.7
243.40013	0.7
309.16614	0.8
379.24533	100.0
379.34082	4.6
380.24808	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
67.05497	1.8
71.58306	0.8
79.05494	1.4
81.03405	1.0
81.07037	2.4
83.04980	0.8
84.08145	5.6
89.52749	0.6
91.05473	1.6
93.07032	1.7
94.63979	0.7
95.04939	0.9
95.08598	1.2
98.09685	3.0
100.07602	6.1
102.16452	0.6
105.07030	1.1
112.11232	2.7
119.08578	1.9
121.10148	1.3
131.08546	0.8
146.59958	0.7
149.60666	0.7
161.87227	0.7
169.13376	2.1
171.14923	1.0
208.20667	0.8
209.37810	0.7
281.17355	0.9
309.16446	1.2
363.02817	0.7
379.24542	100.0
379.34372	5.6
380.24902	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	378.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01875	0.7
55.05263	0.9
55.05508	10.8
56.05019	1.7
56.96554	0.9
57.03431	0.7
59.22958	0.5
60.48824	0.5
61.02903	0.8
66.84812	0.6
67.05484	0.8
69.03426	4.3
70.06592	7.6
72.08163	3.6
76.63515	0.7
79.05472	0.6
81.03411	2.1
81.07044	0.7
83.06065	0.8
84.04489	1.8
84.08138	6.2
85.02901	6.3
86.09691	2.7
87.00826	1.4
91.05486	8.1
95.04963	1.1
95.06095	0.5
97.02890	1.4
98.06040	1.7
98.97588	1.0
99.04459	1.0
102.05480	0.7
105.01853	1.2
109.02874	2.0
110.07151	2.2
112.07601	34.0
114.10284	0.7
116.07099	1.9
116.98660	0.8
118.69061	0.5
119.01946	0.6
119.08622	0.7
120.08124	1.2
127.03905	3.1
130.08636	100.0
131.12947	0.8
134.99695	0.9
136.07594	1.1
136.12010	0.9
137.06009	0.9
147.04422	2.3
150.88641	0.5
152.91742	0.6
155.01880	0.6
161.02956	1.2
163.03902	1.7
167.08223	0.8
169.13417	1.3
177.05550	0.7
184.07375	0.8
191.27438	0.5
229.21419	0.8
327.07535	1.0
347.50165	0.6
379.09964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.4
57.03416	1.3
57.07068	2.5
59.36234	1.1
67.05495	2.6
69.03419	1.8
69.07073	1.6
69.51479	4.4
69.51906	5.6
70.06583	1.8
79.05482	3.0
81.03407	8.1
81.07040	3.4
83.04960	2.8
83.08611	2.0
85.02878	1.7
85.06522	2.0
91.05460	2.8
92.31650	1.3
92.94701	1.3
93.07025	2.8
95.04932	2.9
95.08607	2.5
97.02879	1.6
105.07032	2.8
105.38277	1.2
107.04966	1.5
107.08575	4.2
111.03705	1.7
111.04437	23.2
111.08080	2.1
119.08591	2.2
125.05988	5.7
135.08060	2.9
135.11690	3.7
136.06181	100.0
137.04538	1.1
145.10089	3.6
163.11168	6.1
175.11176	1.5
181.12231	40.5
181.57240	1.2
193.12225	4.7
199.13289	15.7
230.94417	1.3
249.40297	1.2
378.21344	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	377.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21803	6.5
52.62330	7.5
56.96550	8.5
60.61789	6.5
70.06578	8.7
71.57198	8.5
72.08162	10.2
84.04459	7.4
84.08127	21.2
85.02884	10.4
85.04800	7.5
86.09710	11.6
97.02924	9.8
98.97569	18.9
116.98597	13.8
119.01914	11.1
130.08659	11.4
145.37531	7.0
177.00624	7.7
179.87726	6.3
185.05678	9.8
228.05661	9.4
230.13014	7.5
237.02695	9.0
275.02411	9.0
377.08167	100.0
398.68512	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	377.1455
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03920	2.0
57.03440	9.2
59.04987	1.4
61.02921	3.7
69.03084	1.0
69.03426	14.9
71.01337	2.0
71.05003	3.9
72.08149	1.1
73.02886	2.8
75.04456	2.6
76.03838	0.6
81.03424	4.3
84.04484	0.8
84.08109	1.8
86.09669	0.6
92.16847	0.6
95.60992	0.6
99.04455	6.0
117.05441	1.3
120.08096	2.3
128.83926	0.6
130.06604	0.7
136.07535	0.6
137.06000	0.7
140.26698	0.6
145.07571	3.2
151.03914	1.3
164.58971	0.7
170.07135	2.5
172.08693	36.5
174.10287	0.9
179.07063	0.8
190.09676	1.8
197.08014	0.8
198.06638	8.2
200.08194	5.9
216.07680	19.7
216.09700	1.1
218.09189	1.0
243.08772	85.5
244.07024	1.0
244.09305	1.5
320.69415	0.6
331.61105	0.7
340.54398	0.7
359.13498	4.0
377.14548	100.0
378.14996	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.248
Annotation	Spiramine P
Peak:m/z	Relative Intensity
55.05482	0.5
67.05482	0.6
69.03410	0.5
70.06555	0.6
71.58215	0.7
72.73812	0.3
79.05455	0.9
81.07031	0.5
84.04444	0.4
84.08095	0.5
86.09644	0.4
87.04463	18.5
91.05434	0.7
93.07030	0.6
95.04945	0.5
95.08595	0.4
105.07009	0.6
106.06535	3.6
107.07319	0.5
107.08598	0.4
117.05742	1.1
117.06955	0.4
118.06543	7.9
119.07302	0.5
120.08027	0.5
130.06447	0.8
131.07314	4.5
132.08076	4.0
133.08835	0.7
134.09631	1.8
136.06169	2.6
144.08011	0.9
145.08809	0.8
146.09641	6.9
148.11189	0.4
159.10442	0.4
160.11205	6.6
160.85078	0.4
161.11914	0.5
172.11140	1.1
173.11938	0.5
174.12743	1.2
176.14302	0.7
202.15889	0.6
204.09901	0.4
218.11815	0.9
219.78423	0.4
225.91852	0.4
232.13348	1.4
232.73726	0.4
244.20596	7.0
272.20074	48.3
273.20392	2.7
290.21124	11.9
291.21664	0.6
358.23618	0.6
376.24817	100.0
377.25104	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	36.5
67.05494	44.9
69.07076	15.1
71.00662	8.8
71.58484	13.9
71.58884	12.3
79.05486	31.5
80.19305	8.8
81.07053	48.2
83.08626	16.9
91.05506	46.7
93.07046	90.6
95.04983	53.4
95.08623	29.3
96.24778	9.7
105.07031	84.7
107.08607	62.3
109.06512	15.8
109.10139	26.5
117.07015	29.3
119.08583	100.0
121.06513	18.7
121.10137	88.0
128.06165	12.1
129.06992	17.9
131.08568	41.2
133.10114	35.7
135.11688	19.1
142.07755	28.9
143.08563	37.5
145.10135	73.2
147.11699	26.9
155.08495	13.7
157.10083	44.0
159.11708	32.1
161.09608	21.4
169.10126	29.8
171.11670	26.4
173.13235	21.8
175.14796	12.1
189.12929	12.3
195.11717	17.7
205.10104	11.1
209.13255	17.6
251.17876	10.6
299.40567	9.9
375.26834	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.05509	26.9
56.96553	8.2
57.03422	7.2
57.07078	6.6
67.05495	41.7
69.07058	22.6
69.49358	25.0
69.49779	22.5
79.05499	43.9
79.73020	5.2
81.07059	61.3
83.08607	11.8
85.69208	5.1
91.05481	73.0
93.07040	80.1
95.04971	47.5
95.08031	7.7
95.08601	55.5
97.06506	10.5
97.10163	5.8
103.05420	6.3
105.07028	100.0
107.04926	5.6
107.08583	50.1
109.06514	10.3
109.10140	24.5
109.10870	4.8
117.07030	24.3
119.08580	78.6
121.06504	15.0
121.10146	71.8
123.08038	6.1
123.11718	9.1
128.06242	11.4
129.06961	20.2
130.07768	8.1
130.97169	5.4
131.08548	36.6
133.10158	46.9
135.11667	15.0
142.07791	23.3
143.08548	29.3
144.09340	6.3
145.10121	60.2
147.11739	26.0
149.01242	9.8
155.08501	12.2
156.09262	7.5
157.10117	47.6
159.11716	35.9
161.09584	12.7
163.14882	6.3
164.88257	6.4
167.02126	7.6
167.83492	5.0
168.09271	8.1
169.10107	20.0
171.11736	15.9
173.13284	23.8
175.11201	5.6
175.14719	6.2
177.91466	7.6
179.08624	5.4
180.09285	8.0
181.10152	11.3
183.11676	21.9
185.13316	10.1
187.14786	11.6
189.16411	9.1
194.10878	6.9
195.11691	15.0
197.13283	12.2
199.14848	6.8
201.16376	10.2
209.13248	9.7
211.14764	9.2
253.16014	6.9
275.19934	10.0
299.51370	6.3
303.23309	8.0
304.94022	5.4
375.26602	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28834	4.0
53.03931	4.7
55.01853	6.3
55.05493	16.2
56.51148	4.5
57.03381	4.2
57.07051	6.1
61.87426	5.8
65.03921	5.6
67.05502	29.4
69.07050	16.6
71.58488	8.3
79.05489	43.4
81.07047	50.4
83.04971	4.7
83.08585	5.9
86.78649	4.8
91.05480	62.7
93.07037	70.4
95.04961	46.0
95.08592	35.8
95.96758	4.5
97.06506	10.2
103.05450	5.2
105.07021	100.0
107.08590	45.1
109.06501	10.6
109.10146	25.6
115.05456	5.6
117.07001	17.4
119.08573	82.0
121.06477	17.2
121.10136	84.0
123.08088	7.2
128.06206	8.7
129.06995	12.8
131.08559	61.4
133.10112	40.1
135.11678	13.1
141.74979	4.8
142.06758	4.9
142.07739	20.7
143.08521	28.2
144.09309	12.9
145.10094	65.1
147.11693	19.9
155.08543	15.5
156.09290	15.2
157.10136	53.9
159.07962	7.1
159.11659	38.4
161.09615	15.0
167.08623	5.7
169.10127	22.1
170.10869	6.7
171.11652	17.3
173.13245	18.4
175.14769	9.3
181.10117	13.2
183.11621	14.1
185.13197	10.2
187.14790	14.8
193.10129	6.5
194.10905	5.5
195.11659	9.8
197.13240	9.4
199.14803	7.1
207.11646	11.3
209.13197	16.1
221.13229	9.8
223.14798	6.6
225.16464	7.3
235.14722	7.6
239.17905	5.7
259.63571	4.7
329.30991	4.9
375.26794	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	375.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01844	3.9
55.05497	3.9
56.05025	2.9
56.96556	5.6
57.03423	1.3
60.04507	2.7
60.05649	37.6
61.02932	2.6
66.07455	1.1
67.05492	3.9
68.05024	1.4
69.03414	3.3
69.07054	4.5
70.06593	100.0
71.04987	6.9
71.06922	1.4
71.36772	2.2
72.08157	49.9
73.02934	1.8
74.02409	1.6
79.05474	1.9
80.05022	1.2
81.03393	2.4
81.07066	1.2
83.04977	1.2
83.06091	2.6
84.04508	16.7
84.08143	61.8
85.02916	7.5
86.09221	1.7
86.09712	32.5
87.05570	3.1
87.07931	1.6
88.03990	5.4
88.07603	2.5
88.99123	1.6
91.02455	1.3
91.05469	10.7
93.07046	33.4
94.01974	1.2
95.04948	3.1
95.06091	1.2
95.08624	5.7
97.02876	3.2
97.07658	9.4
98.06042	2.1
98.97581	3.4
99.04468	1.4
100.02191	3.3
101.07125	1.2
101.10768	2.4
102.05536	5.1
105.01903	1.2
107.08568	1.3
108.08080	1.6
109.02880	1.7
110.07139	2.4
110.09673	3.0
111.08044	5.0
112.08736	18.8
113.04603	1.4
113.07101	1.5
114.05545	1.7
114.10294	34.6
115.03841	1.5
115.08688	3.5
116.07096	18.6
116.98583	2.1
117.01828	1.7
119.01906	9.2
119.08540	2.0
122.08364	4.0
124.03973	1.7
127.01495	2.0
127.03922	63.7
128.04237	2.0
128.07068	1.9
128.98613	1.4
129.06581	3.3
129.10239	18.5
130.04982	2.2
130.08638	5.1
130.09744	16.8
131.01921	2.8
131.12001	2.1
131.12924	31.2
132.10179	3.9
133.03450	2.3
133.06071	6.9
134.09651	1.5
137.02916	2.4
137.05951	1.3
140.08144	1.4
141.10262	3.0
144.99751	1.9
146.99611	2.5
147.07703	1.8
147.11273	6.8
149.02946	4.7
151.02130	1.6
152.05679	2.2
152.06975	1.4
156.01860	1.3
157.02565	1.2
157.10851	4.0
158.09259	18.0
159.03076	1.5
161.02922	1.7
164.07034	1.3
164.14337	7.1
165.00748	1.6
167.04140	1.7
172.95203	4.7
175.00853	4.0
175.04468	1.2
175.11906	67.3
176.12352	1.3
177.00630	2.1
182.15402	2.7
183.14919	2.6
185.83446	1.1
187.00751	2.8
189.02484	3.4
190.96292	2.5
190.98454	1.6
191.04022	2.0
193.02020	2.1
197.12814	2.1
201.12381	6.2
203.04053	1.5
206.02640	3.5
208.13330	2.6
209.09224	1.6
214.05659	2.5
215.13844	2.4
217.00029	1.6
217.01968	3.3
223.01245	1.3
223.19109	2.4
225.17107	4.4
227.00471	1.3
241.20209	15.1
243.13437	1.4
245.01489	2.5
245.12195	1.4
247.12805	2.1
248.03723	1.3
260.19626	3.0
262.14938	1.6
267.18167	1.6
270.19250	3.2
273.00751	2.7
285.19196	24.0
287.02551	2.3
298.16702	1.6
303.02017	1.2
305.03540	2.6
315.02005	2.7
333.03043	3.8
357.21552	5.9
358.20584	3.4
375.05518	5.8
375.12585	5.7
375.22675	73.3
376.23300	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1438
Annotation	Vladinol D
Peak:m/z	Relative Intensity
51.49807	1.0
53.03932	1.8
55.01879	1.9
57.03437	1.0
65.03928	3.4
67.05500	2.2
69.03425	2.8
69.07063	1.5
70.06561	1.3
71.57774	1.6
72.08161	1.7
78.51159	0.9
79.05483	2.7
81.01449	0.9
81.03413	9.1
81.07037	3.0
84.04498	3.7
84.08144	23.6
85.02918	5.2
85.91640	1.0
85.97856	0.9
86.03249	1.4
86.09708	12.4
87.00834	1.9
87.10036	4.3
91.05479	9.9
92.05823	5.6
93.07011	1.3
94.04166	1.4
95.04972	3.4
97.02882	2.1
99.04460	1.3
102.05508	1.2
105.01871	2.8
105.07051	1.5
107.04963	1.2
107.08630	1.5
108.02100	3.3
109.02911	2.3
109.06526	2.3
109.10185	1.6
111.04446	3.3
111.06230	1.0
115.05491	2.5
117.07012	2.1
119.08498	1.6
120.08140	1.5
120.76118	0.9
122.03648	3.1
123.04474	1.2
125.05998	2.5
127.03918	3.5
128.04239	2.2
128.06189	3.7
129.07002	8.7
129.10181	1.4
131.04930	2.0
132.10216	3.9
133.06512	1.5
134.59424	1.2
137.05975	52.5
141.05438	3.9
143.04919	2.8
145.06454	2.6
146.03557	1.0
147.08034	2.7
149.05969	2.0
151.03909	100.0
151.05009	8.3
152.04245	1.8
153.05489	3.1
157.06491	9.9
160.05217	2.0
161.05956	2.9
161.09613	2.7
163.07645	1.0
165.05402	1.9
167.07036	2.3
171.04419	3.9
175.07544	6.0
176.04720	1.5
177.05428	1.8
181.60556	0.9
187.07579	1.8
189.09062	7.7
191.07059	6.7
197.12921	1.1
203.07013	26.9
205.08507	5.4
215.07104	2.4
215.14046	1.2
216.14227	2.4
218.07394	1.2
219.08134	1.9
221.08109	5.6
233.08102	4.1
235.07491	1.2
243.06592	1.2
247.07535	1.7
261.09088	2.3
263.07141	1.3
277.08688	1.1
279.07169	1.0
279.10251	2.8
286.08356	4.4
289.08652	1.4
292.07001	1.3
295.09579	2.0
297.11469	1.1
303.04910	1.6
307.09662	4.1
309.11002	1.5
312.21716	1.9
321.11176	4.5
327.12146	8.5
339.12259	5.9
340.56238	1.1
357.13364	5.9
375.06998	1.5
375.24747	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	375.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01864	0.6
57.03417	0.5
61.02919	0.3
68.56461	0.2
68.99797	0.3
69.03427	2.0
69.99047	0.7
69.99460	0.5
70.06583	0.2
71.02248	0.2
71.04987	0.2
72.08154	0.7
73.02895	0.7
81.03413	2.7
84.08141	0.3
85.02903	3.7
86.09700	0.5
87.00835	2.2
95.53909	0.2
97.02909	1.3
99.04445	0.8
105.01874	0.6
109.02872	2.6
117.01856	0.3
127.03912	100.0
128.04239	1.0
129.01782	0.4
145.04948	0.9
147.14023	0.2
159.02855	1.5
159.47426	0.2
174.54051	0.2
231.05000	0.2
348.81409	0.2
375.21170	0.2
395.96851	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	375.1067
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
51.17975	0.2
51.51889	0.2
55.01876	0.2
65.03925	0.4
67.05485	0.5
68.99786	0.5
69.22375	0.2
69.79588	1.4
70.06564	0.3
72.08147	0.4
78.04714	0.7
79.05463	0.2
81.03403	0.4
81.07023	0.3
91.05482	0.2
92.02619	1.5
93.03387	0.3
95.01315	0.3
95.04967	0.6
98.09691	0.6
99.04460	0.2
105.03378	0.8
106.04144	0.7
107.04964	0.3
109.02863	0.5
111.04427	0.4
119.04935	0.3
120.02084	3.4
121.02873	1.1
123.04398	1.1
124.05161	0.3
133.02821	0.6
134.03633	0.2
135.04393	0.4
137.02335	1.4
137.05992	0.5
138.03133	2.4
139.03870	2.1
147.04393	1.7
148.01553	0.9
149.02319	0.8
150.03139	0.3
151.03896	2.4
152.01051	0.3
152.04703	2.0
152.73788	0.2
153.01729	0.4
153.05444	0.4
154.06219	0.5
163.03896	0.6
164.04662	0.4
165.01836	8.4
165.05447	0.6
166.02615	6.9
167.03404	6.1
167.06992	0.4
171.04330	0.3
177.05574	0.2
179.03392	3.3
180.04156	6.6
181.04950	48.8
182.05333	0.5
184.03665	3.4
184.05206	0.3
191.03320	0.5
198.05199	0.3
201.05490	0.7
203.03334	0.2
207.06461	0.3
209.00798	1.8
212.04716	0.3
213.05452	0.4
218.11848	0.3
219.06528	0.7
221.08121	0.7
222.05238	0.3
224.03134	2.5
225.05457	0.3
226.06113	0.4
227.07086	0.5
228.04123	0.4
229.04962	1.3
230.05914	0.4
231.02899	0.3
231.06551	0.3
237.07530	0.3
239.03435	0.6
240.04228	0.3
241.04987	0.5
241.08540	0.3
242.05960	0.3
243.06532	0.8
244.07288	0.5
245.04446	0.4
247.06158	1.1
249.07570	0.3
253.05014	0.2
254.05620	0.4
255.06511	0.6
256.03632	0.4
256.07236	0.4
257.04413	1.7
257.07864	0.3
258.05133	0.3
259.05988	0.4
261.07449	0.4
267.02982	0.3
268.03726	0.3
269.04456	0.6
270.05112	0.3
271.06042	1.6
272.06757	1.3
273.03885	0.7
273.07513	0.6
274.04672	0.9
275.05438	1.2
281.04395	0.3
282.05203	0.4
283.05960	2.9
284.03183	1.0
284.06750	1.2
285.03922	1.3
285.07556	1.0
287.05496	0.7
287.09091	1.7
288.06079	0.4
289.07071	1.9
296.03204	0.8
297.03928	0.5
298.04630	0.3
299.01895	1.1
299.05518	3.8
300.06223	1.4
301.06995	0.6
302.04089	0.7
303.08527	0.3
311.05447	2.6
312.06287	0.6
313.03473	3.2
313.06940	0.5
314.04202	4.5
315.05130	0.4
315.08527	3.5
316.05652	0.4
317.02899	0.3
317.06537	5.3
325.07080	1.1
327.04980	4.9
328.05734	8.2
329.06525	5.5
331.08096	5.9
332.08731	1.3
341.06393	0.5
342.07300	0.2
343.08109	25.2
344.05017	0.3
344.08771	0.4
345.06097	2.6
357.22815	1.4
359.07578	2.3
360.08368	21.4
361.08807	0.5
375.10718	100.0
376.10992	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	374.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	26.1
67.05502	50.2
69.07059	19.2
69.31541	100.0
70.06565	11.0
71.04977	31.8
79.05486	28.7
81.07071	26.6
83.08597	16.5
88.88045	8.5
91.05460	15.6
93.07030	28.3
95.08600	35.3
97.10176	10.8
97.17542	9.2
105.00103	36.9
105.07049	16.7
107.08581	21.6
109.10145	33.2
112.31964	10.0
119.08513	8.5
121.10128	12.0
125.09627	10.1
131.08594	10.2
147.11664	12.1
159.11641	13.9
173.11739	29.8
187.13286	15.5
220.06323	13.7
241.17969	9.7
241.99809	8.8
367.43765	10.1
374.19556	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	374.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
55.05514	1.8
57.07066	2.4
67.05508	4.2
69.03433	1.0
69.07066	14.2
69.46053	4.5
69.46480	3.9
70.06593	5.6
71.08652	4.6
74.21502	0.8
79.05493	3.0
81.07065	3.7
84.07632	1.8
84.08143	35.5
86.09706	100.0
88.07632	6.8
91.05477	3.0
92.09639	1.0
93.07051	3.0
95.04999	5.0
95.08615	4.3
97.06491	1.4
98.20734	1.8
99.08099	2.5
99.49018	0.9
102.09191	4.6
105.07026	3.1
107.08607	3.0
109.06509	6.9
109.10157	1.2
112.07606	14.7
119.08598	3.0
121.10097	1.1
131.08582	2.3
133.10130	1.3
140.10706	1.0
154.12274	5.4
163.11168	1.4
165.12758	28.3
168.13895	1.4
173.13298	1.5
191.14372	1.4
222.18523	5.2
252.19571	2.1
260.20050	3.3
266.45566	1.0
271.20697	1.1
276.23184	10.4
289.21582	2.6
290.68024	1.0
312.32651	10.4
356.29962	1.9
374.30566	21.0
374.36307	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	25.6
55.05506	28.7
67.05517	99.5
69.07075	48.5
69.63564	41.6
69.63976	100.0
71.04975	81.5
79.05492	68.2
81.07042	87.2
83.08615	24.9
89.58604	20.3
91.05488	28.5
93.07050	66.4
95.08609	47.7
105.06999	46.5
107.08587	71.6
109.10124	63.0
119.08566	32.4
121.10060	26.1
125.09644	20.4
140.10172	21.8
159.11719	25.9
167.03621	22.4
173.11723	74.4
177.12730	28.5
187.13297	40.8
203.12756	23.7
220.40576	19.8
238.45630	18.2
241.18080	30.6
260.95322	20.0
274.86893	17.7
369.15762	24.9
374.14398	23.3
374.26810	25.1
375.09637	20.9
393.89551	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01869	3.9
56.05021	2.0
57.03414	2.8
60.04519	0.9
61.02916	2.4
65.03932	2.0
67.05494	1.2
68.05021	0.8
68.99785	1.5
69.03426	14.2
69.07069	2.5
70.06583	2.4
71.01360	1.0
71.04977	1.8
71.57986	0.9
72.08167	0.6
73.02937	2.7
74.06053	0.6
79.05487	1.0
79.72841	0.5
80.05017	0.5
81.03418	12.1
81.04541	1.0
81.07056	1.4
83.04961	0.5
84.04502	30.0
84.08134	5.8
85.02904	38.1
86.09702	100.0
87.00828	17.0
87.04481	1.3
87.10036	1.2
91.05478	90.7
92.05821	1.6
93.07043	1.3
93.66439	0.5
95.04964	1.0
96.04471	1.6
97.02889	11.7
99.04454	5.4
101.02393	0.7
102.05537	11.8
103.03929	1.1
103.05493	0.6
105.01862	22.2
105.07042	2.3
107.08590	0.9
108.02096	0.6
108.04487	2.5
108.08085	0.5
109.02876	12.0
109.06514	0.7
110.06052	0.5
111.04440	1.0
113.07125	1.0
114.05501	0.5
115.03935	0.9
115.05431	1.3
117.01870	0.7
117.07018	1.2
119.08582	0.8
120.08144	0.7
121.10147	0.7
123.04452	0.7
124.11266	0.5
125.07080	0.8
126.05471	0.6
127.03915	27.0
128.06239	1.2
129.01854	2.1
129.05655	0.8
129.06697	3.1
131.04933	0.7
131.08530	0.7
132.10201	30.9
133.06502	1.4
137.05971	8.6
141.05565	0.9
141.06531	3.0
142.05003	0.6
143.03423	0.9
143.04941	0.6
143.08447	0.6
145.04968	12.4
145.06462	1.9
147.02902	1.1
149.05963	0.5
151.03914	15.6
151.05026	2.0
151.07600	0.7
152.10689	2.7
153.05464	1.2
157.06491	2.0
157.07642	0.6
159.02887	6.6
161.06010	0.8
170.11760	3.9
171.03008	0.7
171.08035	1.2
175.07500	2.7
187.07463	0.6
189.03937	2.5
189.09097	1.2
191.06973	1.0
197.12859	17.0
199.07552	1.4
199.18068	0.6
203.07019	5.0
205.08630	1.2
213.03981	1.4
215.13902	31.3
216.14264	0.9
217.08554	0.9
221.07925	0.8
222.11214	1.2
225.12363	5.5
230.06697	0.5
231.05005	5.8
231.07005	0.7
243.13391	8.0
245.18658	1.9
248.07687	0.8
249.06154	1.1
286.08386	0.6
307.09525	0.8
327.12122	0.8
339.12399	1.1
356.22543	0.9
374.13504	0.8
374.17935	1.2
374.23450	2.1
375.24646	0.8
393.86096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01823	0.3
70.06536	0.5
71.57899	0.5
72.08099	0.6
73.02872	0.3
81.06974	0.3
83.68921	0.3
84.04448	0.3
84.08096	0.3
85.02843	0.3
86.09669	0.5
96.32233	0.3
98.98449	2.0
105.00051	0.7
106.99620	1.0
118.06546	4.3
120.08058	0.4
125.00002	7.8
132.08032	1.2
133.08804	0.5
134.09584	0.4
144.07025	0.6
144.08078	9.2
146.09586	1.1
152.14301	1.2
158.09645	1.8
159.10408	0.3
160.11166	0.5
162.09137	3.2
163.07430	0.3
172.11192	1.9
176.10802	0.7
176.14343	17.9
190.12277	1.0
196.16838	0.4
202.15898	46.4
203.16284	0.4
212.08994	0.3
220.16954	100.0
221.17281	1.9
268.11633	0.4
300.13583	9.1
314.12033	1.6
330.15955	0.7
356.12527	0.3
356.16525	0.5
374.17557	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	374.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44457	0.2
52.84053	0.3
65.00553	0.3
67.05431	0.2
67.08504	0.3
69.34010	3.0
70.06499	0.8
79.05419	0.4
84.04432	0.3
86.09693	2.1
91.05411	0.5
93.06976	0.3
98.20752	0.5
98.98460	2.1
105.35709	0.3
118.06547	4.8
125.00000	8.0
132.08073	1.6
133.08784	0.7
133.85997	0.3
137.05908	0.9
144.08073	8.1
146.09644	1.7
151.03888	0.3
158.09633	3.5
159.10376	0.9
160.11101	1.0
162.09122	2.9
172.11227	2.4
176.10803	2.0
176.14349	17.4
177.11462	0.5
186.12759	0.4
190.12262	1.4
202.15903	44.5
203.16219	0.6
215.13899	0.5
220.16956	100.0
221.17281	2.0
222.02782	0.3
226.10582	0.3
259.03668	0.3
268.11612	0.3
300.13577	9.3
301.14163	0.4
314.12393	1.0
356.16412	0.4
374.17615	11.1
374.24133	0.5
375.17670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.7
61.02924	3.1
63.56346	1.3
69.03411	3.3
69.88615	8.7
70.06583	2.1
72.08146	2.4
81.03413	2.5
84.04507	2.1
84.08114	3.0
84.48614	1.3
85.02903	15.8
86.09684	2.6
89.03909	4.9
97.02887	4.4
98.21600	1.6
116.54635	1.3
117.03362	14.8
122.59084	1.6
127.03911	1.7
129.10207	2.1
132.59135	1.3
134.03668	1.9
135.04449	2.2
145.02850	42.4
145.04936	3.9
147.04390	1.5
149.06021	6.7
163.03862	3.4
177.05466	100.0
195.06525	41.6
195.08266	2.8
208.17137	1.3
281.97174	1.5
305.09259	1.8
362.00067	1.7
374.18628	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	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01859	3.5
56.05014	1.3
57.03419	2.8
61.02917	2.5
65.03933	2.6
67.05481	0.7
68.99787	1.8
69.03423	16.2
69.07049	1.5
69.46548	3.6
69.46967	2.9
70.06591	1.9
71.04975	2.5
72.08144	1.0
73.02909	4.6
81.03410	12.8
81.04531	1.1
84.04499	20.1
84.08134	1.5
85.02898	43.2
86.09699	75.2
87.00819	17.4
87.04451	0.8
91.05473	100.0
95.04958	1.0
95.06120	0.9
96.04468	0.9
97.02884	13.9
99.04437	5.1
102.05531	10.1
105.01186	1.5
105.01857	23.4
105.02567	1.2
105.07003	1.4
108.04448	1.9
109.02869	13.1
109.06477	1.0
113.07113	1.2
115.03922	1.1
117.01816	1.2
117.07053	0.8
126.05508	1.5
127.03911	30.0
129.01820	2.9
129.06731	3.1
132.10190	22.8
133.06416	1.4
137.05923	3.8
141.06610	2.4
145.04944	12.1
145.06448	2.3
147.02847	1.2
151.03893	7.5
152.10690	1.3
157.06470	1.6
159.02872	7.3
170.11748	3.1
171.08121	0.9
175.07579	1.5
181.09567	0.8
189.03906	2.3
197.12842	17.0
199.07539	1.3
203.06985	2.3
205.08542	1.0
213.03867	1.2
215.13892	26.8
217.08633	1.1
225.12311	4.5
231.05020	6.8
243.13350	6.0
245.18672	2.6
249.05972	2.1
290.80228	0.8
321.10489	0.8
374.23331	2.1
387.65610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85837	0.4
57.03429	3.1
58.55152	0.4
61.02930	0.5
63.71854	0.4
69.03421	0.9
69.46994	3.3
71.01355	3.5
73.02909	4.9
75.04482	0.5
78.03459	4.0
80.05014	3.2
83.01327	1.0
84.04528	0.5
85.02428	0.7
85.02910	9.1
86.03609	0.4
95.01328	5.5
96.04482	3.1
98.20798	0.8
99.00833	1.2
101.02369	1.6
103.03933	1.6
106.02909	18.7
106.03628	0.9
113.02366	3.6
124.03950	100.0
125.04269	1.1
131.03416	2.4
141.01819	9.5
159.02864	1.7
167.11813	0.9
180.06544	13.5
180.08055	1.0
195.11264	1.0
198.07616	69.9
199.07999	1.2
281.83606	0.4
374.10620	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	374.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
55.01876	2.3
55.05507	1.4
57.03421	7.0
58.49990	1.2
61.02930	7.5
67.05495	1.5
69.03425	13.0
70.06590	1.4
71.01337	1.7
71.04987	3.0
71.57713	1.1
71.58089	1.2
73.02917	8.5
81.03417	5.7
81.07035	1.8
84.08125	1.8
85.02899	100.0
87.04444	1.7
91.03936	6.3
91.05439	2.2
95.01328	32.1
95.08616	1.6
97.02892	24.1
99.00799	3.1
99.04424	4.1
101.02384	2.2
103.03937	4.8
105.06991	1.5
109.02857	7.7
113.02357	4.2
127.03901	25.4
131.03384	3.8
135.77774	1.0
137.05936	2.2
141.01814	91.3
142.02144	1.7
145.04951	52.1
151.03899	1.7
152.04366	1.2
159.02884	14.4
163.06017	23.9
167.07111	1.3
168.27922	1.1
177.03903	4.8
180.08672	2.6
210.45633	1.1
222.12222	1.0
314.11908	1.7
321.08182	2.7
374.14011	2.1
374.18619	2.0
374.23175	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	373.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02786	0.6
67.24677	0.5
69.03418	1.4
70.06587	1.8
71.04299	1.5
72.08149	1.8
79.05486	0.7
84.04454	0.9
84.08133	1.9
85.02892	2.0
86.09697	1.9
88.42695	0.6
93.07013	0.7
97.02867	1.2
98.06092	1.0
98.97566	0.8
117.03368	1.8
117.06940	0.5
127.05127	0.6
129.10242	1.4
131.12976	0.8
135.04393	0.6
145.02837	4.7
147.04343	0.7
149.06017	1.3
157.09612	0.7
164.05630	0.6
167.23448	0.7
177.05457	10.0
187.11925	0.9
192.81691	0.7
193.12122	0.9
195.06509	2.7
203.05249	4.9
308.59387	0.7
373.18314	100.0
374.18625	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	373.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.05504	0.7
56.05025	0.7
56.57156	0.6
60.05642	0.6
62.82838	0.5
69.03416	1.3
69.96269	2.2
69.96688	1.0
70.06586	2.0
71.05379	0.5
72.08150	3.0
73.70409	0.6
79.05484	1.0
81.03391	0.6
81.07052	0.7
84.08131	2.5
85.02893	2.1
86.09691	1.9
87.07958	0.8
89.03902	0.8
97.02904	1.5
114.10299	0.8
116.98572	0.7
117.03374	2.4
123.04393	0.7
127.03911	0.9
128.07054	1.0
129.10242	1.7
131.12958	1.4
145.02805	5.6
147.04359	0.8
149.05992	1.7
163.03926	0.9
167.07071	0.7
177.05473	13.4
187.11908	0.9
193.11998	0.7
195.06468	4.6
195.07811	0.5
201.05394	0.6
203.05273	4.6
207.06483	0.7
211.13097	1.0
223.33591	0.6
269.10492	0.7
293.44501	0.7
324.21240	0.6
370.80746	0.7
373.18320	100.0
374.18866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.5
55.05497	1.0
56.05024	1.1
60.05642	0.7
65.64296	0.4
67.05509	0.4
69.03417	0.8
69.07070	0.5
69.97052	2.1
70.06597	2.9
72.08141	3.6
81.07037	0.7
84.04498	1.2
84.08145	21.1
85.02899	0.7
85.06527	0.5
86.09704	7.8
87.05568	0.7
93.07013	0.6
97.02898	0.5
98.06086	0.5
101.10755	1.0
105.06977	0.4
107.04975	0.5
112.08723	0.5
114.10290	0.8
117.03307	0.5
129.10239	11.3
130.08554	0.4
133.06084	1.4
137.05963	0.6
145.02760	2.0
147.04393	1.5
151.03874	1.2
152.14325	0.6
153.05478	0.7
157.13394	0.5
177.05484	2.9
185.12747	0.5
193.12015	3.1
193.94641	0.4
195.13593	1.3
197.16489	0.8
201.03700	3.1
201.05405	0.6
203.05275	7.2
242.18622	1.1
245.18642	1.0
253.12872	1.6
264.29416	0.5
271.13837	0.8
272.99808	0.5
343.12106	0.7
373.18320	100.0
374.18466	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65660	1.6
53.03926	5.0
55.01866	2.3
55.05267	2.7
55.05510	35.8
56.05835	1.7
57.03436	22.0
57.07071	14.5
65.03936	3.2
67.05503	78.5
69.07063	25.7
69.50351	5.9
69.50787	7.8
71.04984	6.7
71.08630	27.6
79.05074	2.1
79.05495	32.5
80.05818	1.7
81.03394	2.4
81.07056	100.0
82.07383	3.6
82.81194	1.5
83.04967	7.0
83.08618	24.9
85.06527	4.8
85.10180	20.5
91.05453	28.8
93.07042	34.0
95.04954	7.3
95.08601	74.1
97.06488	7.9
97.10161	8.5
98.21529	2.9
99.08094	25.6
103.05341	1.6
105.07029	21.8
107.08598	17.5
109.06502	3.4
109.09489	1.9
109.10163	25.1
111.04459	1.9
111.08073	4.0
113.09640	30.1
117.07010	3.3
117.66884	1.7
119.08568	15.7
121.10142	21.3
123.11698	12.0
125.09599	2.3
131.08559	9.6
131.86981	1.9
133.10133	16.0
135.11691	12.7
137.09602	4.4
137.13226	9.5
145.10106	5.1
147.11684	18.5
149.09615	3.2
149.13234	13.2
151.11189	3.0
151.14804	3.4
153.12708	2.5
159.11717	5.5
161.13266	10.3
163.11151	1.9
163.14839	4.4
165.12761	6.5
165.16333	2.0
165.63033	1.7
167.07014	1.7
167.14317	5.9
173.11766	3.4
173.13269	5.3
173.94980	1.6
177.12767	2.9
177.16571	1.9
179.14305	6.3
181.15918	2.8
191.14111	1.5
195.13757	3.7
209.04533	2.6
223.17033	1.7
243.21101	6.6
253.17961	3.3
260.20490	1.7
261.22046	10.0
279.23196	33.6
280.23376	2.1
303.05014	5.4
315.04892	2.8
353.26880	11.4
371.28207	8.9
382.90295	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.092
Annotation	5-Hydroxy-3',4',5'-trimethoxy-6,7-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
55.01871	1.5
55.05494	0.9
57.03408	1.2
57.27975	0.9
67.05496	4.2
68.73048	0.8
69.03419	1.6
71.58300	1.7
73.04379	0.8
79.05502	2.0
81.03395	2.1
81.07028	4.3
84.08156	2.2
85.02866	1.2
86.47279	0.8
91.05500	3.7
92.02631	3.0
93.07027	2.2
95.04981	2.2
95.08623	2.3
97.06530	0.9
105.07042	2.1
107.04947	1.7
109.02902	1.8
109.10127	1.4
119.04947	2.0
119.08660	1.6
120.02076	6.2
121.02879	2.6
121.10170	0.9
122.03641	1.8
123.04405	7.9
127.03960	1.3
131.05009	0.9
133.02808	1.2
133.10133	1.1
135.04422	5.7
137.02359	2.2
137.06001	7.6
138.03142	5.2
139.03894	2.5
145.06416	1.0
147.04425	4.5
149.02376	1.7
150.03186	1.1
151.03914	16.1
151.07553	1.1
153.01784	1.3
153.05496	1.7
161.06036	1.1
163.03923	4.1
165.01892	3.1
165.05455	5.9
166.02625	12.1
167.03329	0.9
167.07101	3.5
168.03331	1.0
169.85439	0.9
177.05498	1.4
178.02608	9.0
179.03406	1.5
181.04968	63.6
184.03653	4.6
185.05959	1.6
191.03406	1.9
193.04988	13.7
193.08598	0.9
201.05551	1.6
211.07538	1.1
219.02927	1.5
221.11728	6.9
237.03917	1.1
240.04305	0.9
241.04933	2.7
244.03477	0.9
255.06593	1.2
257.08109	2.2
258.04910	1.0
259.06039	1.3
267.06610	0.9
267.11270	1.5
268.03726	2.1
269.04602	6.0
269.07214	0.9
282.05164	1.2
283.06015	3.5
284.06726	1.5
285.07605	2.8
286.04861	2.0
289.10782	1.3
296.03195	3.4
297.04016	4.2
298.04694	1.4
301.07025	5.6
302.07617	2.3
303.08490	5.2
310.04868	1.7
311.01944	2.0
311.05496	25.7
312.06229	6.3
313.03403	1.1
313.07025	2.5
313.11740	2.7
315.05002	2.9
316.05881	2.3
317.10190	1.2
323.05588	1.5
324.02963	2.2
325.03302	2.2
326.04120	3.0
327.08618	16.6
329.06671	7.1
330.07333	11.6
337.03748	1.6
339.04993	37.6
340.05753	17.1
341.06384	1.4
345.09674	22.5
346.10162	2.0
355.08121	100.0
356.08514	3.6
373.09232	81.6
373.13620	5.2
374.09500	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	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49470	1.8
53.03911	1.9
55.01869	7.4
55.05511	56.6
57.03437	10.6
57.07061	7.2
59.05011	3.4
67.05505	95.4
69.03402	2.8
69.07069	57.8
71.04982	5.3
71.08632	27.9
79.05063	3.1
79.05495	46.4
79.58097	1.7
81.03434	2.5
81.07060	100.0
83.02126	2.0
83.04958	9.2
83.08622	26.6
85.06538	5.9
91.05450	15.7
93.07050	46.1
95.04939	5.0
95.08604	71.1
97.06541	14.5
97.10165	27.8
99.08103	21.3
101.06014	2.6
105.07040	16.7
107.08595	33.5
109.06538	3.4
109.10162	52.7
111.08070	6.7
112.75368	1.9
113.09633	2.2
117.07032	4.6
119.08578	11.8
121.10135	17.5
123.08040	2.2
123.11713	16.2
125.09637	18.1
129.05450	2.1
131.07695	1.8
131.08539	10.8
133.10117	7.5
135.08061	5.8
135.11691	28.2
136.54623	1.8
137.13261	10.6
139.11110	2.1
145.10110	6.6
146.52840	2.5
147.06499	3.2
147.11693	16.4
149.13264	8.4
151.14813	4.2
153.12704	10.4
154.52794	2.0
159.11755	3.5
161.13261	6.9
163.11159	6.6
163.14828	9.0
165.12737	6.8
167.14265	2.8
173.11739	9.5
173.13264	7.3
175.14856	2.4
177.12712	3.9
177.16344	2.5
179.14320	3.0
181.15845	2.4
187.14833	5.1
189.11201	11.6
191.14363	2.0
201.16246	2.9
209.15358	3.3
227.12735	6.1
233.22537	3.2
243.21045	12.7
245.13930	3.1
261.22153	30.1
279.23190	55.9
280.23526	3.5
353.26917	36.4
371.27759	3.3
372.34866	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82701	1.3
53.03936	4.1
55.01846	3.1
55.05271	2.9
55.05512	40.9
57.03440	20.1
57.07077	13.9
65.03935	4.0
67.05506	84.6
69.03418	2.9
69.07070	26.0
71.04984	5.3
71.08633	22.8
71.59076	1.7
79.05494	33.1
79.21079	1.5
81.03402	2.4
81.07059	100.0
82.21217	1.6
83.04964	5.6
83.08623	22.7
85.06517	4.0
85.10180	14.3
85.78111	2.1
86.84226	1.6
91.05460	29.4
93.06474	2.7
93.07038	34.7
95.04969	4.1
95.08609	70.7
97.06526	6.0
97.10173	6.5
99.08094	22.5
105.07021	17.8
107.04951	3.0
107.08588	22.0
109.02788	1.9
109.06509	2.8
109.10157	26.1
111.08056	5.6
113.09644	19.7
117.07000	5.2
119.08595	17.3
121.10139	18.9
123.04416	2.6
123.08067	3.0
123.11710	11.8
125.09593	2.3
131.08568	9.9
133.10127	14.2
135.11700	14.6
137.13240	7.5
139.11174	2.3
145.10127	7.1
147.11707	15.3
149.13266	10.1
151.03867	2.1
151.11237	4.3
151.14774	3.6
153.12737	3.3
159.11665	4.5
161.13260	13.5
163.11165	3.2
163.14830	5.2
164.27834	1.8
165.12764	4.1
167.06972	4.2
167.14272	2.4
173.11882	2.5
173.13295	7.0
179.14351	5.8
181.15851	2.2
187.14781	2.7
195.13794	3.6
210.08147	1.8
219.10078	2.5
223.17029	2.2
233.22575	2.7
243.21046	6.8
253.17998	6.8
261.22119	12.7
279.23157	24.2
303.04929	2.5
326.07404	1.7
335.25659	1.9
353.26831	7.2
371.14896	2.8
371.28189	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	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42464	2.5
50.67033	2.5
53.03944	2.9
54.90341	2.7
55.01867	4.5
55.05512	37.9
57.03431	11.7
57.07072	10.8
65.03935	2.8
67.05505	81.7
69.07065	39.3
69.62241	20.7
71.04997	5.8
71.08634	86.9
79.05491	37.3
79.05915	4.1
81.07057	100.0
81.81899	2.4
83.04998	6.2
83.08614	30.6
85.06532	6.0
85.10178	6.0
91.05434	22.4
91.23532	2.6
92.89989	2.7
93.07042	34.1
95.04957	4.5
95.07993	4.4
95.08609	72.8
97.06528	10.4
97.10179	19.9
99.08093	71.0
99.98343	2.6
101.05993	3.6
105.07032	26.6
107.08601	24.9
107.75702	2.7
109.06513	3.5
109.10158	30.5
111.08112	6.4
113.09670	7.7
117.07014	5.6
119.08610	19.7
121.10161	17.2
123.08101	6.0
123.11715	11.3
124.99976	3.9
125.09645	9.1
127.11176	4.6
131.08574	16.0
133.10123	9.2
135.11687	14.9
137.09589	3.0
137.13274	9.9
145.10103	12.6
147.06531	4.2
147.11699	44.8
149.13301	9.2
151.11148	4.0
151.14839	5.8
153.12741	10.0
159.11775	6.2
160.76888	2.4
161.13260	8.6
163.11151	8.4
163.14763	16.5
165.12758	19.7
167.14383	6.3
173.11757	9.1
173.13213	6.2
175.25238	3.0
179.14345	4.1
181.15875	8.6
184.07356	7.3
187.14763	3.7
189.11354	3.2
193.94893	2.8
227.12689	4.5
235.23180	2.9
243.21068	16.0
255.19617	4.3
261.22125	26.3
279.23181	57.8
353.26822	28.6
371.27573	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	371.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	28.4
57.07053	12.9
59.37927	5.6
65.03922	7.4
67.05495	29.2
69.03432	6.7
69.07056	23.7
71.04990	6.3
71.58771	5.5
71.59226	10.5
72.08107	5.5
79.05471	32.7
81.07050	51.1
83.04983	17.5
83.08624	14.0
85.06538	9.2
91.05415	45.6
93.07040	100.0
95.04953	17.5
95.08604	66.8
97.06522	19.0
97.10176	8.6
101.05962	6.3
101.46887	5.4
105.07021	75.1
107.08570	48.9
109.06494	10.7
109.10166	29.7
111.04436	6.3
117.07022	18.4
119.08574	73.7
121.06532	8.8
121.10121	46.9
123.08068	14.9
123.11713	14.1
124.59008	5.1
129.05458	10.1
129.07019	10.2
131.08527	46.6
133.10110	56.6
135.08107	7.9
135.11662	16.8
137.09621	11.2
139.07530	64.1
142.07722	14.2
143.08549	24.4
145.10138	45.2
147.08098	8.2
147.11655	25.1
149.09616	16.5
155.08452	10.5
156.09343	10.7
157.10117	37.6
159.11717	34.3
161.09602	16.7
169.10172	17.5
170.10866	8.7
171.11719	19.3
173.11877	6.0
173.13293	17.8
175.14815	21.3
178.27957	5.9
181.10083	6.7
183.11700	12.4
185.13269	13.0
187.11366	6.2
187.14804	23.2
189.16438	8.6
193.10173	11.1
195.11707	10.9
197.13234	10.7
199.14880	8.9
207.11612	7.4
209.13249	12.8
211.14861	12.1
213.12634	7.6
225.16301	6.9
239.17784	6.8
247.33136	6.6
251.17879	6.4
286.28012	6.1
315.04880	10.9
353.24670	13.5
371.25748	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03941	1.8
55.01864	6.6
55.05516	6.0
57.03434	1.5
57.07068	2.3
59.04988	1.0
61.02906	1.0
61.64581	1.0
65.03938	1.7
67.05506	7.6
69.03431	8.2
69.07063	5.4
70.06585	4.6
71.01354	1.2
71.04980	3.6
71.57581	1.5
72.08165	1.6
73.02886	1.5
79.05497	8.6
81.03420	4.8
81.04541	5.9
81.07059	15.4
83.04965	3.3
83.08615	8.0
84.04500	2.6
84.08125	2.7
85.02899	12.9
86.09705	4.9
91.05428	20.4
91.06282	1.0
93.03374	1.7
93.07038	26.9
94.07349	1.2
95.04986	6.0
95.06082	4.0
95.08620	7.6
97.02834	2.4
97.06542	3.1
97.10230	1.2
100.07620	1.1
100.11221	1.1
103.05457	3.5
105.07043	9.5
107.04944	4.1
107.08578	8.0
109.02882	1.3
109.06510	11.3
109.10159	6.2
110.07169	1.6
111.04433	2.2
111.08092	4.2
112.74502	1.0
115.03940	1.0
115.05437	3.1
117.07015	6.4
119.04950	1.9
119.08575	26.2
119.09364	2.0
121.06490	4.1
121.10152	9.0
123.04424	4.2
123.08056	3.6
123.11689	4.1
125.07119	4.2
127.03928	3.6
128.06186	2.9
129.01863	2.0
129.07010	7.4
131.04926	2.6
131.08583	2.6
133.06480	3.3
133.10107	2.9
134.03578	1.2
135.08058	3.3
135.11639	1.2
136.07535	1.0
136.71138	1.1
137.05989	6.3
137.09608	6.7
139.03946	1.1
143.08162	2.0
145.02794	1.4
145.04951	1.3
145.06448	1.6
147.04381	3.2
147.08049	10.2
147.11768	1.4
149.05972	3.7
149.09618	100.0
149.13202	5.8
150.09929	2.7
151.03900	3.8
151.07545	3.4
151.11179	2.4
153.05501	1.7
153.09093	2.5
156.05539	1.3
157.06487	5.5
159.04318	1.5
161.04742	1.2
161.06021	3.6
163.03903	1.9
163.07510	2.0
163.14876	1.8
165.09122	4.9
165.12744	5.2
167.07005	11.3
167.14302	9.1
173.13254	1.9
174.06787	2.9
175.07510	2.3
177.05466	8.9
178.05849	2.4
181.04939	10.7
182.15427	1.3
187.07535	4.2
189.04005	1.7
189.09103	4.5
191.14319	10.9
193.08507	1.3
209.13486	2.6
209.15367	29.0
217.08604	3.9
218.07256	1.5
219.10143	3.4
221.08066	2.2
231.07980	1.7
236.23737	1.1
246.06720	1.6
249.09119	2.0
261.09201	2.2
278.09241	1.3
279.10233	1.4
285.00873	1.5
293.11691	1.9
307.09555	1.3
309.11209	1.3
321.11212	2.6
326.11502	1.3
335.11328	1.4
339.12256	1.9
353.13312	3.0
355.07239	1.3
371.14795	15.8
371.21268	11.0
371.25769	1.9
372.15134	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1676
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
55.05516	0.6
61.76937	0.4
67.05518	0.4
67.24359	0.4
69.03415	0.6
70.06570	0.7
72.08158	0.7
75.95576	0.4
77.60712	0.4
79.05483	1.2
81.03431	0.5
81.07059	0.4
84.08142	0.7
85.02927	0.9
86.09698	0.5
89.03914	0.8
90.67486	0.4
91.05440	1.3
93.07042	0.9
95.08600	0.6
97.02893	0.5
98.20708	0.9
103.05457	0.7
105.07033	1.2
107.04945	1.8
107.08574	0.8
109.06490	0.6
111.05551	0.6
117.03360	1.8
117.07034	0.4
118.03683	0.5
119.08580	1.3
121.06455	0.5
123.04411	0.8
123.05515	0.6
125.83091	0.4
129.07022	0.8
131.04941	0.5
131.08560	0.4
133.06464	0.8
136.64938	0.4
137.05975	2.5
145.02887	2.3
145.06519	0.5
146.03169	2.1
147.04366	0.8
149.05925	0.8
159.08072	0.7
167.07008	3.5
175.07567	0.8
177.05443	3.6
178.05794	4.4
179.07112	0.6
187.07526	1.0
189.09192	0.7
191.07002	1.1
191.14352	0.5
193.28023	0.5
206.07294	0.5
209.08199	0.6
209.11496	1.0
209.15399	0.9
217.08682	1.2
219.08025	0.7
219.13835	0.5
233.09624	0.6
237.14793	0.7
247.07477	0.5
249.08893	0.6
250.09488	0.4
251.50748	0.4
261.09167	0.7
277.08554	1.5
278.09293	0.5
279.10208	0.5
285.01025	0.6
293.11697	0.6
307.09772	0.6
309.11356	0.5
321.11111	1.2
323.09320	0.5
339.12228	1.6
353.13864	2.0
353.20633	0.7
371.16782	100.0
372.17163	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	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01858	3.1
55.05503	5.4
67.05492	3.1
68.99776	2.3
69.03415	4.1
69.07050	2.0
70.06595	6.8
71.04984	1.5
71.58546	2.8
72.08139	5.5
78.04707	4.4
79.05466	7.7
81.03400	4.7
81.07053	4.8
83.04969	3.2
84.04501	1.8
84.08121	5.4
85.02908	4.9
85.06561	1.4
86.09705	7.5
91.05474	10.8
91.05898	2.5
93.07053	5.4
95.04961	13.4
95.08590	3.5
97.02869	3.8
99.04442	1.8
100.11260	11.1
103.05445	4.9
105.00090	4.6
105.07048	10.0
106.04152	2.1
107.04959	14.1
109.02877	3.3
109.06497	2.0
109.10097	2.3
111.04434	1.8
115.05445	6.1
115.52212	1.3
117.07030	4.9
119.04914	2.8
119.08589	7.1
121.06512	4.5
121.10152	2.5
123.04427	11.7
124.05216	3.7
125.02421	1.6
125.06027	1.9
127.03902	2.6
128.06221	4.2
129.05519	2.1
129.07007	9.0
129.10234	2.4
131.04918	6.8
131.08563	2.5
132.05704	7.1
133.06483	5.1
133.07549	1.7
133.10124	2.2
135.04424	2.1
135.11671	1.5
137.05959	7.8
141.01846	3.6
141.11484	1.6
143.81619	1.5
144.05629	1.6
145.06487	4.4
147.04417	6.1
147.08049	5.8
149.05981	3.5
151.03929	9.6
151.07500	2.1
152.04662	3.9
152.14342	2.5
153.05478	4.0
153.09077	3.2
155.07066	2.7
155.08279	1.4
156.05753	2.0
157.06419	2.7
159.08046	6.9
160.05185	4.6
161.05945	6.2
163.03854	1.6
163.07526	2.2
165.05493	1.7
167.07037	100.0
168.07475	1.8
171.08055	1.9
172.05214	3.8
175.07541	38.6
177.05478	4.4
178.07837	2.5
179.06990	2.7
179.08464	1.8
181.04919	1.7
181.08598	1.7
182.15381	2.6
187.07544	17.7
189.07039	2.2
189.09103	4.2
190.07724	2.4
191.07040	10.8
191.08589	2.9
191.14340	2.6
193.08542	1.9
195.08119	1.6
199.07588	8.1
202.07858	2.7
203.08563	4.1
205.06631	2.4
205.08534	1.6
206.07297	3.0
207.08177	1.5
215.08505	2.6
217.06735	1.5
217.08675	6.0
218.07274	4.1
219.08064	4.0
219.10231	3.7
220.03366	1.3
221.09651	5.5
227.17540	2.0
231.08040	3.6
233.09654	4.6
234.06802	4.2
235.07576	4.2
237.09175	1.9
246.06766	1.7
247.07509	2.6
248.08231	1.9
249.09058	7.7
250.09660	2.2
251.06934	1.9
260.08292	1.9
261.09073	6.0
263.07074	2.9
264.07935	1.5
265.08844	1.7
266.09433	1.6
268.97867	2.6
269.07870	2.0
276.72772	2.0
277.08636	3.6
278.09253	1.9
279.06622	2.4
281.11700	6.0
289.08627	2.8
293.11670	4.2
294.08997	2.0
306.08856	2.2
307.09604	4.8
309.11166	9.0
311.09091	2.1
311.12704	2.3
321.11285	7.6
323.09097	1.8
326.11432	2.6
328.15817	1.7
339.12244	6.0
341.13803	9.2
343.30585	2.2
353.14365	9.3
353.26633	2.1
355.07059	2.1
362.26984	1.6
371.14957	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	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22519	2.0
50.98443	2.3
53.03965	2.7
55.01864	4.4
55.05509	4.4
67.05512	7.1
69.03426	6.2
69.07049	2.6
70.02949	4.9
70.06586	5.2
71.04986	2.7
71.06204	2.5
71.57901	2.6
71.58333	5.1
71.86721	2.4
71.96378	2.4
72.08161	4.3
78.04718	3.1
79.05495	15.6
79.72543	2.4
81.03420	4.2
81.07059	11.2
83.04958	2.9
84.04529	3.1
84.08141	10.2
85.02883	7.7
86.09703	3.8
91.05392	11.9
93.07033	6.3
94.04189	4.3
94.13088	2.5
95.04975	11.4
95.08611	3.9
97.02913	4.2
103.05470	4.1
105.07015	9.4
107.04949	24.3
107.08579	4.4
108.19330	2.5
109.06505	5.3
112.09843	2.4
115.05501	3.4
119.04972	3.9
119.08594	6.3
121.06477	2.8
121.10191	3.5
122.03674	8.9
123.04420	11.3
124.05206	4.6
124.07514	2.6
125.06009	3.7
128.06204	7.4
129.07016	17.9
130.00079	2.5
131.04924	9.2
131.08559	12.7
132.05707	4.0
133.02878	3.2
133.06442	2.8
133.10109	4.5
135.08017	2.9
137.05974	100.0
137.09572	3.4
140.98634	2.5
141.06967	6.2
143.04945	3.1
144.05725	7.1
145.06500	6.8
145.10033	2.5
147.04410	6.4
149.09602	3.5
151.03987	11.8
151.07553	6.3
153.05490	4.1
156.05690	22.7
157.06502	9.2
158.07266	5.0
159.08060	22.6
160.05205	5.0
161.05980	9.0
163.07576	2.8
165.05476	5.2
165.12735	6.8
167.07033	86.3
167.08434	5.7
169.06444	5.3
172.05125	3.5
174.06796	5.1
175.07555	18.9
177.05467	9.0
178.07748	6.1
179.07086	6.1
180.05722	3.0
181.06456	6.4
184.05209	5.7
185.06053	3.2
186.06802	3.7
187.07544	31.5
189.07106	6.2
189.09137	13.1
190.07809	6.8
191.06947	4.5
191.08517	4.0
191.14290	4.6
192.07822	3.6
193.08539	2.8
195.06535	2.7
195.08136	3.1
198.06819	6.8
199.07507	4.6
201.09152	4.2
202.06247	8.4
202.07896	4.3
203.08604	6.2
205.06584	3.9
205.08594	7.1
206.07246	6.6
207.06400	3.7
207.08182	5.7
209.15417	9.9
211.07498	5.6
214.06323	2.9
215.08649	6.1
217.06557	5.7
217.08582	65.5
218.07304	14.8
218.09128	3.8
219.07996	10.8
219.10182	11.9
221.09622	8.4
224.04723	3.9
226.06161	5.5
231.08148	12.0
232.08859	9.0
233.06094	3.3
233.09608	21.1
234.06795	9.9
235.07532	13.4
236.08206	3.5
237.09402	4.2
239.07047	19.1
241.08575	16.6
242.05673	4.4
243.08284	2.9
246.06697	7.0
247.07443	8.0
247.09686	31.6
248.08267	5.1
249.09117	20.7
250.09680	4.3
251.07088	6.9
252.07849	9.1
255.89085	3.0
257.08041	5.5
260.08218	6.4
261.09122	31.9
262.06213	4.5
262.09814	3.9
263.07028	13.8
263.10669	4.4
264.07886	7.2
265.08640	6.9
266.09311	6.0
269.08212	7.3
271.05972	4.6
277.08670	27.6
278.09314	21.1
279.06497	6.2
279.10144	7.5
280.07309	5.9
281.11734	11.4
285.00919	3.2
285.07523	36.5
286.08319	3.6
289.08633	10.3
291.09888	4.1
293.08408	6.1
293.11749	23.2
294.08810	5.7
295.09662	4.0
296.10422	4.1
298.08176	3.7
300.09894	44.7
301.10889	13.3
305.08121	3.5
306.08914	6.2
307.09601	12.1
308.06937	3.4
309.11108	20.1
311.09091	4.8
311.12503	2.8
313.10721	8.3
321.11169	37.2
322.11856	8.4
323.09274	8.2
325.10843	3.2
326.11398	16.2
335.16602	3.0
338.11450	7.5
339.12253	8.3
341.13885	10.0
353.13879	54.5
354.14050	4.2
371.11124	4.4
371.15012	30.8
372.15436	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	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
53.43137	2.3
55.01846	3.8
55.05502	3.6
57.03438	2.6
65.14965	2.2
67.05511	2.8
69.03419	7.2
69.07047	4.6
69.65833	2.5
70.06576	5.3
71.04980	4.7
71.16917	2.8
71.17252	4.7
72.08141	2.5
74.07548	2.6
78.04678	2.9
79.05489	21.8
81.03404	10.4
81.07070	11.8
84.08136	5.0
85.02891	6.7
86.09715	5.5
91.05412	22.6
93.07037	9.7
94.04195	5.9
95.04962	9.1
95.08595	5.0
97.02876	3.0
98.10986	2.6
103.05475	5.7
105.07040	13.2
107.04956	23.3
107.08554	5.8
109.02884	4.1
109.06498	7.3
109.10139	5.7
111.04436	4.7
115.05441	8.3
116.06189	5.2
117.07023	4.7
119.04909	11.2
119.08569	5.6
121.06489	6.3
121.10165	2.9
122.03637	11.4
123.04464	13.9
124.05222	4.9
124.62286	2.6
125.05972	5.4
127.03863	2.9
128.06206	9.8
129.05414	3.2
129.07024	17.8
131.04919	5.0
131.08543	10.8
132.05666	3.0
133.02849	3.9
133.06490	4.2
133.10120	4.8
135.04366	2.5
135.07977	2.5
137.05969	100.0
141.06975	7.1
143.04892	3.4
144.05695	8.9
145.06474	5.0
147.04391	16.8
149.05992	6.9
151.03885	25.5
151.07556	5.5
152.04700	3.7
153.01828	4.5
153.05420	4.0
156.05687	26.6
157.06464	10.9
158.07271	8.0
159.04501	2.8
159.08084	20.1
161.05934	6.3
163.03909	5.7
163.14784	3.1
165.05475	8.4
165.06898	2.9
167.07045	72.3
168.40092	2.3
169.06436	5.1
172.05124	4.0
173.06042	3.3
173.13303	3.1
174.06784	8.5
175.03894	9.0
175.07516	19.1
177.05475	8.3
178.07799	7.0
179.07011	5.3
179.08513	2.8
181.04913	7.2
181.06502	2.6
184.05241	4.6
186.06714	5.3
187.07556	29.0
189.05505	3.2
189.07022	6.7
189.09096	14.5
190.06190	3.7
190.07776	8.4
191.06976	7.6
191.08551	6.3
191.14279	6.4
193.08508	3.4
195.06453	3.0
201.09105	8.2
202.06219	6.9
202.07814	4.2
203.08603	12.2
205.06442	7.2
205.08513	4.9
205.10284	3.5
206.07304	9.0
207.06430	12.3
207.08092	8.9
208.06816	4.3
208.08702	3.3
211.07474	4.7
215.06747	3.2
215.08543	7.8
217.06578	6.4
217.08582	61.7
218.07268	23.2
219.07990	14.7
219.10175	15.4
221.05971	3.5
221.09627	9.5
223.07481	4.4
224.04567	2.6
224.08302	3.2
226.06210	5.8
229.08788	2.8
231.08067	10.5
232.08937	4.7
233.09660	15.1
234.06740	19.5
235.07536	21.7
236.08257	5.9
239.07097	14.9
241.08563	13.5
246.06779	10.6
247.07596	14.0
247.09659	20.9
248.08292	9.1
249.09134	31.0
250.06123	4.3
250.09848	7.7
251.07037	3.9
251.10789	6.6
252.07777	8.0
257.08200	3.3
260.08325	7.9
261.09079	32.1
262.06247	7.5
262.09744	7.8
263.07010	23.7
263.10788	4.5
264.07684	4.9
265.08539	10.8
266.09341	6.9
267.10049	3.2
268.97824	3.6
269.08054	8.9
271.05936	4.8
275.07117	6.5
275.10529	4.2
276.07870	5.9
277.08591	36.4
278.06308	4.4
278.09283	23.9
279.06812	5.2
279.10098	13.9
280.07346	4.4
281.08588	4.0
281.11621	13.0
285.00958	4.0
285.07529	27.3
286.08145	5.9
289.08527	11.6
290.09116	3.8
291.06860	3.2
291.10129	10.0
292.07294	4.8
293.08157	10.1
293.11700	21.5
294.08856	6.5
295.09631	7.7
297.10992	2.8
298.08463	2.9
300.09909	32.7
301.10599	12.1
306.08932	10.9
307.09726	12.0
309.07846	3.5
309.11273	33.1
310.11859	5.9
311.09409	4.6
311.12866	7.9
313.10440	5.5
321.07709	2.9
321.11246	36.9
322.11877	7.7
323.08911	8.8
323.12473	2.8
325.10693	6.0
326.11542	21.4
338.11438	5.6
339.12299	29.1
341.13620	11.6
353.10251	6.0
353.13919	46.1
354.14215	3.9
371.15085	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	371.0761
Annotation	Meliternatin
Peak:m/z	Relative Intensity
50.86151	0.3
55.05513	0.7
57.03415	0.4
65.03921	0.4
67.05479	1.4
69.03428	0.7
69.07047	0.7
71.52765	0.3
71.58205	0.6
72.08135	0.5
79.05495	1.0
81.03393	1.0
81.07047	1.6
83.02556	0.3
83.04959	1.2
83.08611	0.6
84.08147	0.5
85.02913	0.5
91.05457	0.8
93.07029	0.8
95.04968	0.6
95.08611	0.8
97.02850	0.4
97.06522	0.5
99.04465	0.4
105.07012	1.0
107.04963	1.0
107.08565	0.8
109.10139	1.0
111.04456	1.8
119.04943	0.5
119.08566	1.0
121.02857	2.9
121.10111	0.6
123.04401	1.0
123.08040	0.5
123.36064	0.3
129.05505	0.4
129.07016	0.7
133.10034	0.5
135.04350	0.6
137.05977	1.4
145.10144	0.4
147.04381	0.7
147.11760	0.6
149.02415	0.7
151.03889	2.9
157.06461	0.6
159.52733	0.3
163.03934	1.1
163.07693	0.4
164.04639	0.6
165.01854	1.0
167.07039	1.4
173.06032	0.4
175.07558	0.5
181.04976	0.8
183.04413	0.8
184.69098	0.4
187.07603	0.5
191.03305	0.4
199.07603	0.4
201.05484	0.6
201.09225	0.4
211.03871	0.6
213.87979	0.4
215.06998	0.4
217.08583	0.7
218.07336	0.4
219.10222	0.7
228.04114	0.9
229.04918	2.0
231.59238	0.5
239.03377	2.1
241.04996	0.8
243.06572	0.6
247.07411	0.5
255.02904	0.4
256.03650	1.4
257.04373	2.6
261.09033	0.5
267.02896	1.2
269.04416	0.9
271.06006	6.8
272.06863	1.7
277.08395	0.5
281.11823	0.4
283.02448	0.8
283.06006	1.3
284.03214	1.3
285.03992	3.5
285.07153	0.7
286.04691	1.1
295.02365	1.0
297.03879	0.8
298.04788	1.0
299.05521	6.3
300.06271	2.1
300.09445	0.6
303.05045	0.4
310.04681	1.1
311.05573	0.7
312.02643	7.2
312.05981	0.6
313.03372	3.9
314.04077	1.0
315.05121	0.6
315.08578	5.7
321.11127	0.5
326.04034	0.7
327.01431	1.7
327.04959	24.3
328.05679	5.0
339.05054	2.3
339.12531	0.7
340.02170	2.2
341.02939	5.6
342.03644	6.8
343.04370	0.6
343.08136	5.1
344.08499	0.4
353.13995	0.7
355.00031	0.7
355.04459	17.4
356.05240	22.2
357.05640	1.1
371.07599	100.0
372.07968	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	370.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.5
60.62227	0.5
61.02906	0.5
65.34232	0.6
68.42398	0.5
69.03394	0.6
69.53072	4.4
69.90473	0.5
70.06581	2.1
72.08125	0.8
79.05525	0.5
80.79020	0.5
84.08145	0.7
85.02901	1.9
91.05447	4.4
94.83838	0.5
97.02893	1.0
97.63044	0.6
110.07184	0.7
118.18356	0.5
119.04945	15.7
120.05276	0.7
129.10239	0.7
147.04414	100.0
148.04773	2.0
151.24887	0.5
152.05721	0.7
190.08658	0.6
208.09689	25.2
209.09956	1.2
218.56432	0.5
234.19179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40402	0.8
51.96021	1.1
53.37119	0.9
57.11526	0.8
67.62875	1.0
69.03414	1.7
70.06593	1.2
71.10569	2.4
83.89881	0.8
84.08131	1.5
85.02905	3.6
91.05485	3.6
119.04952	13.4
147.04416	100.0
148.04718	2.7
149.54402	1.0
190.08527	1.0
208.09694	24.1
262.07718	0.9
332.09119	1.0
345.72690	1.0
375.74271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86324	4.2
53.03944	9.5
55.01872	8.5
55.05511	49.6
56.05842	11.7
56.96556	6.3
57.03422	17.2
57.07057	9.4
58.03767	5.1
63.77402	4.3
65.03935	6.3
67.05172	7.8
67.05504	100.0
68.05846	25.5
68.06136	5.0
69.03421	8.4
69.07067	36.1
69.60560	24.3
69.60970	9.9
70.07384	9.6
71.04993	5.5
71.08631	37.5
72.08964	16.5
74.62306	4.7
79.05495	56.5
80.05819	21.6
81.03419	23.3
81.07059	81.0
82.07391	34.9
83.04967	17.8
83.08642	22.8
84.08917	11.2
91.05455	29.0
92.05820	12.6
93.07057	61.1
94.07367	27.5
95.04957	20.7
95.08607	39.5
96.05301	9.5
96.08931	17.8
97.06512	8.3
97.10153	25.8
98.06847	7.1
98.10461	11.2
98.20843	8.9
99.08090	34.8
100.08406	17.7
105.07027	29.7
106.07369	23.1
107.08581	34.5
108.08917	17.9
109.06512	10.6
109.10154	27.9
110.10497	19.9
111.08096	7.1
116.42561	4.3
117.07016	5.9
118.07337	6.4
119.08532	12.1
120.08940	8.7
121.10107	14.0
122.10472	13.4
123.08102	6.1
123.11684	5.2
125.09594	25.1
126.09933	11.0
131.08585	7.3
132.08913	5.4
133.10139	15.9
134.10442	9.3
135.08025	6.3
135.11722	12.2
136.12030	11.6
145.10115	8.5
146.10452	7.9
147.11703	10.0
148.11996	18.8
149.13264	8.8
150.13547	6.4
151.11165	50.8
152.11523	48.3
161.13264	10.5
162.13574	11.5
163.11140	12.6
164.11548	11.4
165.12846	4.8
166.13063	9.3
166.24051	5.5
173.11696	14.8
173.13170	4.8
174.12102	11.7
177.05489	5.4
179.14214	6.6
180.14601	6.7
189.11189	17.1
190.11542	13.5
190.17262	4.5
200.15030	4.9
227.12778	7.0
228.13120	17.1
242.19911	7.6
245.13768	4.4
246.14131	11.8
250.22499	6.2
253.18024	7.1
254.18333	8.1
260.20883	14.0
277.21594	15.3
278.21924	72.8
328.47797	4.6
337.06738	4.4
352.25671	37.4
367.18018	5.4
370.24301	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	370.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70184	0.6
53.97860	0.6
55.01853	0.7
58.71354	0.7
62.89180	0.8
64.35262	0.6
67.05488	0.9
69.03418	1.1
70.06561	1.3
71.24928	1.4
71.96204	0.6
79.05481	0.9
81.03407	0.7
81.07048	0.7
84.08122	0.6
89.03908	10.3
91.05470	3.6
98.21121	0.9
105.06976	0.8
110.07172	0.7
117.03372	26.8
118.03691	1.1
134.03619	2.1
135.04384	2.5
137.06017	0.9
142.40501	0.6
145.02838	57.7
146.03168	0.9
147.04395	1.2
149.05954	9.9
175.03824	0.6
177.05460	100.0
178.05756	1.7
178.97202	0.7
183.93861	0.6
186.05507	1.5
201.03740	0.7
207.06450	0.7
208.06818	1.1
278.22153	0.7
349.59274	0.9
370.15280	2.1
379.48468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.6
60.99796	0.5
63.02372	0.6
67.05516	0.5
70.06583	1.9
71.28588	0.6
71.28930	0.8
72.08152	0.9
79.05511	0.9
84.08150	0.8
85.02926	0.7
86.09687	0.9
89.03911	13.4
91.05474	1.8
93.07043	1.2
95.04945	0.9
105.07024	0.6
106.04140	1.3
107.04920	0.6
107.36375	0.5
115.03931	0.6
117.03379	27.7
118.03679	0.9
119.04901	0.7
119.08523	0.5
129.10229	0.7
133.02847	0.6
133.06526	0.6
134.03650	2.4
135.04457	2.5
137.05962	1.4
145.02843	62.4
146.03180	1.3
146.05969	0.5
147.07983	0.8
149.05980	9.9
151.04245	0.5
161.05980	0.7
162.05406	0.5
163.03899	1.2
164.82799	0.5
177.05466	100.0
178.05846	3.4
183.75156	0.5
186.05516	1.3
206.08647	0.6
208.06830	1.0
208.14510	0.6
370.15652	3.9
370.23206	0.6
371.16748	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01870	15.9
55.05509	43.3
56.96567	3.7
57.03438	32.0
57.07076	42.5
63.41695	3.1
65.03934	3.4
65.60315	2.6
67.05503	88.7
69.03410	6.1
69.07065	41.0
69.48496	19.6
69.48916	6.9
71.05017	10.0
71.08641	10.3
79.05496	49.9
81.03421	23.7
81.07055	85.0
82.07384	3.0
83.04984	17.8
83.08614	17.1
85.02905	4.9
85.06554	6.3
85.10185	78.5
91.05482	65.2
93.07040	58.4
94.89328	2.6
95.04972	36.6
95.08608	62.4
95.09168	4.5
97.02887	3.0
97.06539	14.1
97.10177	10.3
99.08108	8.0
100.85455	2.5
105.07040	42.7
106.52908	2.7
107.04959	17.8
107.08591	32.0
109.06551	8.3
109.10162	37.5
109.80442	3.5
111.08106	7.6
113.09650	90.0
113.10435	5.8
117.07034	11.8
119.04880	3.6
119.08585	28.1
121.06488	3.9
121.10152	21.1
123.08071	23.1
123.11738	8.4
125.09671	10.4
128.06169	3.8
129.06990	14.6
131.08585	17.9
133.10118	35.6
135.11710	10.3
137.09685	5.0
141.07028	4.9
142.07829	3.3
143.08598	11.9
143.10611	3.3
145.10176	11.1
147.08067	4.2
147.11676	22.9
149.09613	30.4
149.13300	8.4
151.11218	22.4
153.07047	3.6
153.12756	3.1
155.08597	6.1
157.06580	4.5
157.10168	11.2
159.11711	6.0
161.09654	5.7
161.13298	9.1
163.11189	12.5
163.14816	3.9
165.12737	100.0
167.08565	4.3
167.10733	4.5
167.14403	2.8
169.12273	3.0
171.08139	6.2
171.11742	11.6
175.11319	5.9
175.14827	4.5
176.68674	3.4
179.14371	10.2
181.10181	4.1
183.11713	7.6
184.08778	4.7
185.09695	3.2
185.13254	3.5
187.13304	5.0
189.00592	5.9
195.11769	3.7
197.13393	5.4
199.11252	3.4
207.13945	3.5
215.00201	3.1
225.12828	4.2
231.21120	7.3
249.22238	4.0
259.20670	11.6
277.21625	78.5
295.22675	38.6
315.65210	3.0
351.14569	3.9
351.25919	17.3
369.16595	5.8
369.24588	40.5
369.31851	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.8
55.05505	42.3
57.03434	6.8
57.07071	9.3
67.05505	100.0
69.07064	31.4
69.94170	30.1
69.94579	12.5
71.08621	42.5
79.05489	59.8
81.03432	9.1
81.07055	68.7
83.04996	19.1
83.08611	20.3
85.06540	10.6
91.05479	42.7
93.07047	73.2
95.04969	25.7
95.08613	63.0
97.06519	13.1
97.10152	17.5
98.21451	10.9
99.08078	36.6
105.07017	45.8
107.04984	8.3
107.08595	46.6
109.06484	15.0
109.10155	35.6
111.08108	9.0
113.09680	9.4
117.07021	8.8
119.08558	26.9
121.10130	28.7
123.08041	8.3
123.11707	6.7
125.09663	11.5
129.07043	14.0
131.08527	17.8
133.10129	21.1
135.11693	38.0
137.09625	10.3
143.08531	11.8
145.10153	19.4
147.11691	23.3
149.13242	9.3
151.11200	21.8
161.13257	16.0
163.11234	16.4
164.47081	8.6
166.07996	7.3
179.14290	88.4
183.43930	8.6
189.11212	16.5
189.12761	6.8
193.04898	7.6
210.24942	7.8
259.20587	20.2
261.97119	6.7
277.21603	77.7
351.25464	36.2
369.24084	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01869	11.2
55.05508	41.9
57.03435	29.6
57.07069	10.7
62.40448	3.1
65.03928	4.4
67.05505	100.0
69.03420	6.0
69.07070	31.2
70.98354	5.6
70.98663	4.4
71.04973	6.2
71.08633	7.6
73.04726	3.2
79.05495	67.4
81.07050	85.0
83.04971	9.6
83.08623	25.7
85.06538	4.8
91.05483	44.6
93.07040	74.1
95.04970	13.0
95.08607	62.9
97.06536	12.3
97.10162	20.4
99.08100	8.6
105.07045	37.7
107.08588	67.5
109.06517	8.4
109.10159	58.4
109.28065	3.4
111.08076	9.5
112.10415	2.7
113.09650	2.8
117.07021	13.5
119.08579	27.4
121.10141	41.8
123.08064	5.6
123.11729	10.1
123.76595	3.2
125.09614	18.4
129.07016	4.4
131.08578	21.5
133.10133	25.1
135.11726	31.5
137.09587	4.0
137.30992	3.3
139.11183	5.9
143.08542	5.4
145.10124	16.4
147.11687	23.2
149.09650	5.1
149.13246	17.7
151.11192	12.5
157.10136	6.0
159.11710	13.9
161.13223	6.3
163.11128	6.5
163.14818	6.5
165.12752	5.1
171.11708	9.2
173.13284	6.7
175.14847	12.3
179.14301	9.1
185.13266	7.7
187.14825	15.2
189.11243	14.0
189.12807	4.1
195.13805	5.0
201.16452	4.0
205.15840	5.6
227.12779	8.4
234.99161	3.7
241.19586	7.6
245.13948	5.9
259.20624	23.2
277.21613	49.8
351.25378	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
55.01864	7.7
55.05512	51.6
57.03437	17.6
57.07068	12.5
57.11193	2.8
67.05506	100.0
69.03412	3.8
69.07070	28.6
69.83548	14.1
71.04988	8.3
71.08627	20.1
79.05059	4.5
79.05495	59.7
81.03416	7.4
81.07058	79.3
83.04969	13.3
83.08624	23.1
85.06544	6.4
91.05482	41.4
93.07045	60.9
95.04945	17.6
95.08608	51.6
97.06520	8.9
97.10168	25.6
99.08090	16.6
102.49935	2.7
105.07036	39.5
107.08583	47.2
109.06524	7.1
109.10149	50.1
111.08073	6.6
113.09572	4.0
117.07009	12.1
119.08592	24.8
121.10137	28.4
123.08067	6.7
123.10149	2.7
123.11676	7.8
125.09626	20.4
128.02599	3.7
129.06966	3.4
131.08603	13.5
133.10100	20.0
134.10352	3.1
135.08046	6.2
135.11690	25.7
139.11226	3.7
143.08583	5.8
145.10086	15.3
147.11691	18.8
149.09596	3.3
149.13263	16.0
151.11182	24.7
153.12791	3.5
157.10144	5.2
159.11711	7.7
161.13234	10.6
163.11189	9.6
163.14740	3.1
163.93069	3.0
165.12666	5.9
171.11705	9.7
173.11713	7.8
173.13165	5.1
175.14807	6.8
177.12782	3.3
179.14301	7.5
185.13297	7.2
187.14780	8.1
189.11214	15.1
189.12737	4.4
193.15878	3.6
199.14693	3.5
207.13759	6.3
221.15240	3.5
227.12752	6.8
231.21283	2.9
241.19623	4.1
245.13884	5.8
259.20676	17.7
269.17349	7.6
277.21658	53.5
281.17484	5.2
295.22479	2.7
351.25330	23.1
369.20377	3.9
369.26071	5.9
369.99899	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40486	2.0
53.03946	4.2
55.01873	6.8
55.05511	28.7
57.03438	28.2
57.07075	38.1
59.04987	2.0
65.03937	2.1
67.05504	59.9
69.03424	3.2
69.07057	23.4
71.04998	3.9
71.08631	6.2
75.71040	1.9
79.05494	41.2
81.03416	7.4
81.07061	57.6
83.04990	13.2
83.08628	16.4
85.06552	3.3
85.10181	83.0
91.05479	44.3
91.06017	3.4
93.07043	35.2
95.04973	19.7
95.08607	49.3
97.06529	7.6
97.10143	9.2
99.08102	4.3
102.29890	1.7
105.07026	33.5
105.07675	2.2
107.04955	15.1
107.08589	20.5
109.06532	10.1
109.10158	17.6
111.08080	4.4
113.09645	100.0
117.07059	3.2
119.08591	19.5
121.10152	16.8
123.08060	22.2
123.11738	6.6
125.09612	3.6
127.07555	2.7
129.07010	8.1
131.08559	12.6
133.10114	16.6
135.11717	5.9
137.09641	5.6
139.11086	2.6
141.12769	5.4
143.08562	4.0
145.10138	6.9
147.08040	3.4
147.11710	15.5
149.09631	27.3
149.13281	4.6
151.11192	8.6
157.10156	5.5
161.13268	5.1
163.11136	11.4
165.12755	85.8
167.14340	3.1
171.11731	5.2
175.11214	6.7
175.14853	2.3
179.14308	9.4
181.12363	3.6
187.13345	3.2
189.12776	3.4
193.15895	2.8
203.70972	1.8
207.13785	3.4
221.15460	2.3
231.21129	4.6
241.19525	3.9
249.22182	4.3
259.20462	10.3
277.21634	45.5
284.46402	2.1
295.22824	12.1
298.21054	1.8
340.13754	1.9
351.25275	17.6
369.26563	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01867	19.8
55.05507	71.0
56.61916	2.0
57.03432	26.6
57.07071	6.7
65.03948	3.5
67.05502	71.5
69.03421	6.1
69.07068	30.6
69.64638	8.4
69.65069	7.4
71.04989	7.5
71.08630	57.9
79.05487	42.1
81.03416	6.9
81.07052	100.0
82.79107	2.3
83.04989	13.1
83.08614	49.3
85.06553	6.5
85.10164	9.1
91.05476	47.7
93.07041	43.8
95.04973	15.8
95.08597	45.0
97.06528	19.9
97.10155	4.3
98.20738	3.1
99.08089	41.2
102.59414	1.9
105.07027	42.4
105.42498	2.0
107.04944	4.5
107.08577	29.2
109.06508	8.7
109.10146	16.1
109.58511	2.6
111.08070	23.9
111.08777	2.6
113.09649	11.6
117.07013	8.0
119.08592	26.5
121.10130	25.1
123.08055	9.6
123.11689	13.6
125.09618	4.1
129.07018	6.8
131.08578	9.5
133.10118	21.0
135.11742	13.1
137.09604	5.2
137.13239	3.6
139.11194	6.6
143.08553	6.7
145.10129	6.2
147.08170	2.5
147.11682	38.3
149.09599	8.3
149.13255	16.5
151.11189	19.9
157.10144	7.2
159.11696	6.4
161.13255	13.6
163.11198	6.6
163.14828	6.1
165.12744	32.6
167.14302	4.5
171.11685	4.2
173.11942	2.8
175.11188	6.9
179.14244	14.6
183.13933	2.2
185.13261	2.9
193.16061	2.8
195.13808	3.3
207.13837	2.3
221.15349	3.5
229.14243	2.5
231.21089	4.8
241.19577	4.0
249.22141	4.7
259.20587	8.8
277.21616	57.6
278.21838	2.2
295.22559	12.6
325.24945	2.2
351.25293	8.1
369.26575	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01870	13.3
55.05510	83.3
56.05838	1.9
56.83427	1.4
57.03437	28.0
57.07075	6.9
57.34820	1.4
65.03928	3.2
65.28803	1.3
66.54214	1.3
67.05505	79.9
68.53937	1.3
69.03419	3.6
69.07066	33.7
69.85629	4.8
69.86069	5.8
71.04992	8.0
71.08631	48.0
79.05491	40.6
80.05767	1.3
81.03414	4.4
81.07056	100.0
83.04980	8.6
83.08617	59.5
85.06538	9.1
85.10183	4.6
91.05481	45.3
93.07043	42.3
95.04956	13.5
95.08604	47.8
97.06530	18.9
97.10183	5.1
99.08092	42.9
105.07024	39.0
107.04926	2.3
107.08597	26.5
109.06512	9.5
109.10152	16.0
111.08087	25.8
113.09612	7.3
117.07037	4.4
117.17254	1.3
119.08585	26.9
121.06510	1.5
121.10146	26.7
123.08061	6.8
123.11714	18.5
125.09628	4.6
129.07008	6.6
131.08563	10.1
133.10129	22.1
135.08073	1.9
135.11700	12.2
137.09648	3.5
137.13231	2.6
139.11197	9.4
141.09154	1.4
143.08546	2.2
145.10135	8.4
147.08044	1.4
147.11690	43.4
149.09619	7.2
149.13234	18.4
151.11165	15.4
151.14856	1.5
153.12784	3.2
157.10121	11.1
159.11710	4.2
160.61838	1.3
161.09586	1.8
161.13263	9.7
161.14404	1.5
163.11139	5.2
163.14809	2.4
165.12764	27.0
167.14371	4.8
171.11739	4.9
175.11185	7.1
175.14836	4.9
177.12769	2.4
179.14285	11.4
183.13831	1.6
185.13272	4.3
189.12668	1.9
193.12236	2.8
193.15982	1.8
195.29765	1.5
207.13936	1.9
221.15382	1.9
225.18800	1.5
231.21088	3.1
241.19550	6.3
249.22093	4.8
259.20566	7.9
277.21603	53.3
278.22043	2.5
295.22586	10.8
345.77536	1.3
351.25241	6.2
369.26376	47.0
380.09769	1.4
389.09476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.8
53.16462	3.8
55.01857	6.7
55.05510	55.9
57.03430	17.2
57.07059	9.9
67.05506	100.0
69.03418	8.1
69.07069	37.1
69.51270	33.2
71.04990	4.1
71.08633	44.9
79.05491	76.3
81.03419	23.3
81.06589	5.1
81.07057	88.0
83.04972	19.3
83.08618	34.8
85.06506	4.7
85.10191	8.1
87.63339	3.9
91.05486	45.2
93.07046	63.2
95.04987	27.4
95.08601	48.1
97.06521	11.4
97.10174	28.4
99.07577	4.2
99.08102	48.6
105.07027	40.4
107.04984	6.2
107.08581	48.2
109.06512	6.1
109.10167	37.2
110.81602	3.8
111.08091	10.6
113.09628	9.5
117.06996	11.1
117.11252	3.1
119.08588	17.2
121.06496	4.4
121.10153	24.3
123.08022	7.2
123.11681	12.1
125.09608	27.4
129.06963	6.7
131.08577	9.7
133.10162	18.8
135.08063	4.3
135.11714	22.4
137.09595	3.5
139.11267	3.5
143.08583	6.1
145.10107	9.1
145.37082	3.2
147.08072	3.7
147.11678	15.8
149.13300	18.3
150.29506	4.0
151.11186	69.0
153.09099	3.7
157.10078	5.1
159.11703	8.9
161.13252	15.0
163.11169	12.3
165.12743	14.0
171.10349	4.2
171.11676	8.5
173.11720	20.2
173.13135	6.2
175.14795	6.1
179.14305	15.3
189.11244	32.8
195.13783	6.6
207.13811	7.8
227.12756	18.7
231.21095	5.6
241.19482	11.2
245.13896	10.4
249.21994	6.4
253.17947	12.3
259.20599	11.9
269.17407	17.6
277.21600	82.4
277.24387	6.9
295.22681	31.5
351.25290	37.9
369.26337	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.7
55.01862	6.1
55.05505	22.2
57.03446	20.6
57.06858	2.2
57.07076	21.0
67.05503	44.7
69.07066	21.3
70.78273	6.7
71.04982	8.9
71.08633	4.4
79.05495	25.6
81.03414	7.7
81.07056	52.5
83.04975	8.3
83.08617	10.3
85.02892	6.5
85.06523	4.0
85.10183	40.2
91.05485	21.3
93.07040	26.2
95.04974	18.6
95.08602	29.8
97.06545	4.9
97.10159	7.7
99.08094	6.8
101.06026	2.6
105.07028	21.6
107.04935	8.4
107.08612	21.0
109.06506	10.0
109.10147	47.8
111.08104	3.2
113.09634	37.9
119.08585	10.8
121.10139	11.0
123.08063	7.7
123.11726	6.2
125.09569	4.2
128.46017	2.5
131.08562	5.5
133.10126	22.3
141.12767	2.2
147.11671	6.8
149.09631	7.2
151.11160	12.3
161.13257	3.9
163.11185	5.4
165.12752	51.8
169.12245	5.3
173.11653	2.8
175.11174	3.5
179.14326	6.2
207.13841	4.0
231.20978	2.7
241.19447	3.4
259.20639	8.7
277.21597	74.4
295.22687	100.0
296.23117	3.0
369.26498	12.7
381.54037	2.5
385.13684	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01872	14.1
55.05508	53.2
56.99998	2.6
57.03442	17.1
59.15290	2.9
67.05501	92.6
69.07059	35.9
69.99006	12.6
69.99419	4.9
71.04995	5.0
71.08624	30.4
79.05491	54.7
81.03419	14.1
81.07055	100.0
83.04964	17.2
83.08612	31.8
85.06541	5.7
91.05478	45.3
93.07037	79.1
93.07629	4.8
95.04948	24.3
95.08606	46.2
95.27934	3.9
95.76837	3.2
97.06509	12.4
97.10146	12.5
99.08097	32.3
99.36822	3.3
105.07021	30.4
107.04951	3.7
107.08576	43.1
109.06499	10.4
109.10159	24.0
111.08077	7.1
117.06987	11.4
119.08585	17.3
121.06517	3.9
121.10135	29.3
123.11687	7.4
125.09640	14.4
129.06987	3.8
131.08556	11.1
133.10107	23.8
135.08040	3.7
135.11685	19.9
137.05992	10.1
137.09639	4.4
139.11124	5.3
143.08560	7.1
145.10115	8.1
147.11662	13.7
149.09642	3.3
149.13274	21.8
151.11191	41.3
157.10100	6.0
159.11662	15.4
161.13226	17.1
163.11182	14.4
163.14799	6.2
165.12747	9.1
167.14252	3.1
171.11734	8.9
173.11714	13.0
173.13141	5.6
175.14784	5.4
177.12828	4.6
179.14294	6.5
185.13225	3.0
189.11188	17.0
189.12675	3.5
191.13896	3.2
195.13866	14.8
203.18190	2.9
219.92451	2.9
227.12660	4.5
231.21135	4.8
241.19536	6.5
245.13942	3.7
253.18121	4.2
259.20520	10.1
269.17471	43.5
277.18329	5.7
277.21609	52.8
282.01215	3.6
336.49829	4.1
351.25381	25.2
369.26163	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21067	1.8
53.03946	4.5
54.74800	1.8
55.01863	10.4
55.05511	72.3
57.03436	30.5
57.07060	5.5
65.03939	6.0
67.05504	79.5
69.03424	9.2
69.07066	38.3
70.06600	2.7
71.04988	8.7
71.08631	45.9
71.58253	2.7
79.05494	53.3
81.03415	14.0
81.07056	100.0
81.94402	1.7
82.67194	1.8
83.04979	16.9
83.08619	53.8
83.09119	3.1
84.08159	2.3
85.02905	5.5
85.06535	9.6
85.10170	3.7
86.30530	1.5
91.05479	63.0
93.07039	50.3
95.04967	16.2
95.08605	50.1
96.81933	1.8
97.02903	2.4
97.06521	25.6
97.10157	10.4
99.04463	3.2
99.08094	34.2
100.07563	1.8
103.05470	1.6
105.07030	42.3
107.04990	3.9
107.08601	32.4
109.02861	3.4
109.06510	9.2
109.10146	22.9
111.04426	1.8
111.08089	18.6
113.09662	5.7
115.05444	1.9
117.07005	7.9
119.04925	18.2
119.07784	3.1
119.08578	31.2
121.06486	3.6
121.10139	26.2
123.04437	8.0
123.08043	5.8
123.11707	16.0
125.09634	6.5
127.07638	2.1
129.07021	3.8
131.08546	7.8
133.10127	22.0
135.04474	2.3
135.08018	3.0
135.11697	15.6
137.05939	2.9
137.09636	7.4
137.13252	4.7
139.03925	4.7
139.11203	5.9
143.08568	5.2
145.10124	8.7
147.04408	17.1
147.08028	2.2
147.11691	45.2
147.12805	3.4
149.09624	6.0
149.13255	19.9
151.03992	2.2
151.11171	22.7
157.10138	5.9
159.11714	7.5
161.09665	3.7
161.13246	9.5
163.03880	12.4
163.11256	8.7
163.14876	2.7
165.12773	23.4
167.14333	3.5
171.11780	3.8
173.11729	5.3
173.13194	2.9
175.03914	25.9
175.07535	2.5
175.11230	6.1
175.14810	5.1
177.12782	2.0
179.14304	9.6
189.07178	2.3
189.11232	2.4
189.12814	3.1
192.04106	2.4
193.12244	3.8
195.13831	6.3
199.07478	2.0
199.14822	2.1
207.06523	49.7
207.13777	2.9
208.06958	3.2
219.10185	8.6
231.21069	5.7
241.19562	4.9
247.07510	2.4
248.08295	1.9
249.22235	5.4
259.20676	8.6
269.17471	6.2
277.21606	57.7
295.22717	8.0
319.09781	2.1
337.10565	4.9
339.12051	2.3
351.10916	5.8
351.25525	8.7
358.85901	1.8
369.13129	6.2
369.21973	3.7
369.26404	35.6
370.13901	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52389	0.6
53.03944	0.7
55.01870	5.7
55.05512	7.4
57.03442	3.7
57.07063	1.5
59.62164	0.5
67.05506	7.1
69.07063	5.4
70.22494	2.7
71.04984	0.6
79.05070	0.7
79.05494	7.9
81.07054	31.1
82.07387	0.9
83.04984	3.1
83.08614	2.1
91.05478	5.1
93.07035	5.9
95.04962	1.2
95.08604	6.7
97.06507	1.7
105.07041	4.7
107.04942	0.9
107.08600	6.1
109.06510	11.9
109.10147	3.2
111.04437	17.9
111.08065	1.0
117.07015	1.1
119.08572	5.5
121.10116	4.5
123.08073	2.1
123.11691	1.6
125.05976	7.0
125.09622	0.7
131.08563	2.7
133.10117	4.7
134.10443	0.6
135.08049	3.3
135.11685	5.0
137.05971	100.0
137.13246	1.3
138.06345	1.9
139.07561	0.6
141.80302	0.7
143.08627	1.1
145.10088	1.4
147.08061	1.3
147.11690	5.4
148.11963	0.9
149.09599	4.7
149.13234	1.1
151.07530	2.6
151.11159	1.1
153.12769	0.7
157.10136	2.7
160.91496	0.7
161.09613	6.4
161.13243	2.8
163.11201	2.9
165.09129	2.4
171.11751	1.3
173.13234	0.7
175.11172	5.3
175.14799	0.8
179.10675	3.0
181.12274	0.9
183.11554	0.7
189.12753	0.7
193.12228	1.5
203.17996	7.0
205.19511	1.4
207.06512	0.8
207.13788	0.7
213.16441	3.0
221.18974	2.0
231.17436	9.5
241.15814	1.1
249.18510	12.3
277.17993	51.8
278.18326	1.4
295.19028	12.4
296.19254	0.7
351.21722	5.0
369.22794	2.3
370.49908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.8
55.01871	12.6
55.05514	57.4
57.03442	14.3
57.07074	7.2
67.05508	100.0
68.05849	3.4
69.03427	7.2
69.07073	44.9
71.05000	5.6
71.08630	37.0
78.95518	2.8
79.05498	64.3
81.03423	23.3
81.07063	75.8
82.07401	3.0
83.05000	14.0
83.08627	34.3
85.06561	8.8
91.05487	45.3
92.05762	3.2
93.07043	67.1
94.38278	2.6
95.04971	33.5
95.08613	42.7
96.08907	2.4
97.06543	12.3
97.10168	27.7
99.08105	37.2
103.05459	3.5
105.07040	37.8
105.42719	3.3
107.04926	6.3
107.08595	45.5
109.06554	7.3
109.10154	39.8
111.08063	9.3
113.09655	5.3
117.07027	12.4
119.08565	22.8
121.10136	24.3
123.08089	6.3
123.11710	8.1
125.09631	21.1
129.07027	11.0
131.08601	16.3
133.10153	27.6
135.08055	6.7
135.11716	18.1
137.09605	4.4
139.11200	9.5
143.08580	8.5
143.10654	2.8
145.10143	10.6
147.08057	4.6
147.11713	16.1
149.09630	4.5
149.13249	13.1
151.11200	61.6
153.09087	3.4
154.66431	2.7
155.08588	4.0
157.10127	4.5
159.11700	7.3
161.09676	3.0
161.13264	17.9
163.11177	24.1
163.14873	3.6
165.12703	15.7
171.10211	3.5
171.11713	5.2
173.11739	18.8
173.13168	6.1
175.14813	5.8
177.12671	3.0
179.14314	16.1
181.10107	3.1
181.12303	3.2
185.13266	4.0
189.11218	25.0
189.12743	4.4
196.59308	2.6
199.14771	3.6
221.15372	4.4
227.12753	17.8
231.21138	3.8
241.19464	6.4
245.13795	12.8
249.36116	3.0
253.18011	8.5
259.20511	14.3
276.20337	3.9
277.21646	81.2
295.22787	4.0
351.25482	26.2
369.24240	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	369.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.6
55.05497	4.8
57.03445	1.8
57.07072	1.8
57.27133	1.2
58.89286	1.1
65.03936	1.1
66.39896	1.1
67.05510	9.8
67.81786	1.2
69.07059	5.3
69.65166	6.2
69.65575	3.0
71.05014	1.8
75.12167	1.1
75.50623	1.1
79.05505	6.6
81.07047	9.5
83.08608	3.0
91.05470	11.9
93.07024	6.3
95.04952	3.9
95.08614	6.4
97.06497	1.6
99.08092	1.3
103.23145	1.1
105.07011	4.5
107.04958	8.3
107.08575	5.7
108.05739	2.6
109.10147	2.8
111.08082	1.5
117.07000	3.9
119.04974	1.6
119.08534	2.6
121.06451	2.4
121.10168	2.9
123.08051	1.5
129.07036	1.4
131.04916	1.8
131.08585	1.2
133.06491	1.3
133.10132	2.9
135.04416	3.3
135.11720	1.5
136.05199	10.0
139.07527	3.0
143.08594	1.4
143.20891	1.3
145.06491	4.3
146.07306	1.5
147.11754	2.3
149.13174	1.5
150.06743	2.5
151.07539	100.0
151.11171	2.3
152.07819	1.3
157.06502	5.8
158.07240	4.8
163.07523	3.5
165.05489	3.3
165.09102	7.3
165.12712	2.6
169.06665	1.3
172.08817	6.3
173.06004	5.3
174.06784	6.8
175.07515	3.4
175.11151	1.6
177.09055	2.8
179.07019	9.6
181.06523	1.6
182.07304	1.2
185.05832	1.2
188.08302	10.4
189.09084	19.7
190.09921	1.4
191.07060	6.6
191.10684	2.7
193.08604	2.1
194.07375	1.3
195.08067	1.2
201.09100	24.8
203.10683	12.9
207.06511	3.3
210.06705	2.1
211.07664	2.3
212.08359	1.5
213.09052	3.3
215.10632	1.6
219.08029	2.2
220.08681	1.4
223.07253	1.2
224.08334	8.6
225.05502	2.2
225.09064	8.9
226.06157	1.5
231.08130	2.2
231.10201	17.7
232.08682	1.9
233.09581	4.0
234.10432	1.3
238.09955	2.0
239.10689	1.9
240.07915	6.6
241.08571	8.6
245.09625	4.1
246.10333	1.8
247.07526	3.0
247.11220	1.8
249.09073	1.6
253.08583	9.0
254.09308	3.3
255.10139	23.6
258.10342	1.4
261.09106	7.5
262.09897	10.0
263.10477	2.1
265.12222	1.9
267.10065	4.9
268.10922	22.2
269.08051	9.1
269.11102	1.5
274.09860	1.6
275.10645	6.2
276.11447	4.3
277.08633	3.7
277.12210	7.2
277.21600	5.7
278.09369	4.0
279.10324	1.7
281.08255	1.8
281.11633	2.3
283.09689	15.5
284.10410	15.7
288.11594	2.4
289.08890	2.8
289.12222	10.0
290.09323	3.3
291.09900	2.3
292.10962	2.5
293.11694	7.8
295.09686	3.1
295.22754	5.9
296.10388	2.1
298.11984	53.4
299.12723	32.5
305.11691	20.2
306.08826	2.4
306.12143	2.5
307.13202	3.8
308.14069	5.1
309.11099	3.3
311.12769	18.9
312.13477	1.4
319.13293	11.8
320.14069	32.0
321.11307	7.6
321.14429	2.3
323.12750	2.1
324.13525	9.8
325.14319	3.4
336.13571	9.6
339.15878	8.2
351.15860	37.4
352.16397	2.0
369.12619	2.3
369.16867	26.8
369.26306	3.8
373.38467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
50.01605	0.5
51.02378	0.5
53.03943	4.0
55.01862	1.0
55.05509	1.0
57.03426	1.4
64.37523	0.5
65.03924	1.6
67.05486	1.3
69.03428	8.0
69.07021	0.7
70.57381	1.6
71.01355	0.6
71.04971	1.8
72.08151	0.6
73.02908	1.4
74.43002	0.6
77.03941	1.0
77.44115	0.6
79.05480	1.4
81.03414	27.9
81.07041	1.9
84.08117	0.5
85.02905	7.9
89.03917	1.1
91.05481	32.5
93.07063	0.8
95.04961	1.4
95.08586	1.1
97.02886	1.8
99.04447	2.7
103.05444	1.4
105.03423	0.6
105.07022	1.3
107.04955	1.1
107.08608	0.6
109.02876	9.3
109.06537	0.7
118.04153	1.2
119.04940	39.9
119.08565	0.7
120.05308	0.6
121.06525	0.7
121.10159	0.6
123.04423	1.3
127.03893	2.7
129.03310	0.8
131.04955	1.6
132.02055	1.5
133.02853	1.2
135.04388	1.5
136.05220	0.7
137.05957	1.7
139.03891	1.6
145.02847	1.1
147.04413	34.7
147.11676	0.6
148.04768	0.7
149.02348	2.0
149.05984	1.3
151.03889	1.2
157.03999	3.8
160.01602	0.5
161.05972	1.4
163.03900	1.6
164.04689	1.8
167.06935	0.6
175.03906	53.5
176.04274	0.8
177.05498	1.2
179.07013	3.4
181.06277	0.6
189.05487	1.0
192.04190	3.9
205.08606	0.6
207.06528	100.0
208.06903	1.9
217.08580	3.6
225.07507	2.5
234.06738	0.6
276.07837	0.6
277.08496	0.8
309.10001	1.2
337.10712	2.3
339.12421	0.5
341.13879	0.5
351.10739	26.8
352.10925	0.7
362.75317	0.5
369.13321	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03930	2.0
55.01865	1.3
55.05497	1.6
57.03425	1.4
59.16250	0.5
65.03932	2.7
67.05520	2.4
69.03430	7.5
69.07054	1.2
70.63988	0.5
71.04969	1.1
71.57966	0.8
79.05498	2.4
81.03416	12.8
81.07041	3.6
83.08621	0.8
85.02902	4.6
85.73088	0.5
89.03895	0.6
91.05474	29.9
93.07040	2.1
93.79326	0.5
95.04950	2.2
95.08582	1.4
97.02882	1.9
97.06522	1.5
99.04443	1.4
102.04668	0.6
103.05482	1.5
105.03380	0.9
105.07015	2.4
107.04923	1.8
107.08574	1.8
109.02846	4.6
109.06500	1.1
109.10132	1.4
111.04481	0.8
115.05427	0.7
117.07001	1.4
118.04162	0.6
119.04933	39.5
119.08568	1.8
120.05236	1.0
121.02838	1.1
121.10139	1.2
123.04424	1.7
123.11704	0.7
127.03926	2.6
129.03340	0.9
129.06940	1.1
131.04904	1.5
131.08595	0.7
132.02042	0.9
133.02872	1.1
133.06438	0.6
133.10046	1.0
134.14552	0.5
135.04375	2.8
135.07977	0.6
135.11743	0.5
136.39505	0.5
137.05971	2.2
139.03932	0.6
141.06927	0.7
145.02835	0.9
145.06462	0.9
145.10107	0.9
146.03671	0.8
147.04402	35.3
147.11678	0.8
148.04755	0.8
149.02333	1.8
149.05991	0.6
151.03949	0.8
157.02844	0.8
157.03928	2.8
157.10042	0.5
161.05933	1.0
162.03082	0.5
163.03949	1.9
164.04709	1.7
165.01872	0.6
167.07045	1.0
173.05986	1.0
175.03896	56.4
176.04300	1.1
177.05467	1.1
179.07071	2.6
185.05991	0.5
185.09616	0.9
189.05426	1.3
192.04129	2.6
199.07513	0.9
207.06516	100.0
208.06879	3.3
217.08633	3.6
219.10153	1.3
225.07513	1.3
230.24243	0.5
233.11757	0.9
247.82295	0.6
259.09561	0.6
262.06378	0.6
269.11798	0.6
277.10742	5.4
287.12701	0.6
297.11249	0.9
305.13806	0.6
307.09921	1.0
309.11313	0.6
313.10959	0.6
315.12280	2.0
322.08426	0.6
333.13306	5.1
337.10724	2.3
339.12109	0.8
341.13635	0.6
351.10648	9.6
351.14493	1.0
356.34198	0.6
369.13043	4.6
369.24008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02369	0.8
53.03940	4.0
55.01854	1.6
55.05506	1.0
57.03424	1.9
58.05680	0.7
58.87318	0.6
65.03932	2.9
67.05487	2.3
69.03086	0.7
69.03428	9.1
70.06552	0.8
71.04965	2.1
73.02911	1.1
76.42701	0.7
76.65880	0.7
77.03939	1.1
79.05475	1.9
81.03415	29.4
81.07027	1.8
84.08135	0.8
85.02903	9.0
89.03910	1.4
91.05476	36.4
93.07026	2.1
95.04945	1.0
97.02876	2.1
99.04420	3.8
103.05447	1.7
105.03392	1.4
105.07005	1.3
107.04929	1.5
109.02874	11.1
117.07069	0.8
118.04118	1.0
119.04937	44.6
119.08578	1.1
120.05277	1.2
121.02740	0.8
123.04438	1.2
123.41312	0.7
127.03899	2.7
129.03369	0.6
132.02057	1.7
133.09979	0.7
135.04353	1.6
137.02287	0.8
137.05951	2.8
141.06934	0.8
145.02878	1.4
146.03601	1.0
147.04411	37.9
149.02339	1.5
157.03941	2.2
163.03967	1.1
164.04616	1.4
167.07053	0.7
169.06465	0.8
174.83611	0.7
175.03900	59.3
175.07474	2.0
175.60519	0.7
176.04312	1.5
179.07062	3.3
192.04161	3.4
199.07605	4.2
202.68483	0.7
207.06516	100.0
208.06848	3.0
219.08119	1.0
221.06041	0.8
225.07516	2.0
225.09521	0.7
229.46912	1.0
234.06702	1.3
235.07405	1.0
235.40338	0.6
247.07307	0.9
249.09006	1.4
250.06117	0.7
263.06973	0.9
264.07755	1.4
265.08618	1.1
275.07040	0.9
277.08502	0.9
307.09735	1.6
309.10291	1.2
311.12708	1.6
337.10657	3.8
339.12189	2.0
351.10727	27.3
369.12997	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	368.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76069	0.7
55.05505	1.5
56.05036	1.5
58.06591	1.1
60.04510	2.3
62.33691	0.8
64.41776	0.7
69.03416	1.2
70.06591	5.1
70.89876	0.8
71.57879	1.2
72.08152	8.4
74.06062	0.8
79.05489	3.5
82.06575	3.2
83.06110	1.1
84.04483	1.6
84.08139	7.1
85.02888	2.0
86.09719	1.2
87.05585	1.7
91.05489	5.7
93.07048	1.2
105.07015	8.7
107.04972	1.2
109.06506	1.3
110.07189	4.5
110.08404	6.4
111.09192	2.7
114.09184	0.9
117.07028	1.6
119.04921	3.3
120.08107	2.5
121.07638	1.1
125.10734	2.7
129.10242	3.2
133.06451	3.8
136.07574	1.9
137.10728	2.3
145.06483	3.5
146.06058	1.2
147.04384	5.6
151.07512	2.4
151.61650	0.9
152.13084	2.0
152.39532	0.9
156.79643	0.8
157.22507	0.9
159.11331	6.2
160.07530	1.2
170.10579	1.5
171.11217	1.4
181.09756	4.2
182.07994	1.1
188.07170	1.5
193.09671	1.7
195.11299	3.2
206.04489	1.0
206.08163	3.3
207.11363	3.3
218.11780	2.3
221.12912	3.2
222.13568	1.1
228.10913	1.3
237.15962	1.3
243.01752	1.4
243.14722	1.2
247.14348	1.5
261.16010	8.1
263.17474	4.1
265.15457	1.9
289.15457	6.9
307.16507	100.0
308.16885	3.2
325.17624	3.9
368.18161	82.9
369.18442	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	368.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31636	1.3
53.03937	3.9
55.01869	7.7
55.05512	33.3
56.05021	1.7
56.05832	2.0
57.03418	7.9
57.07076	1.8
58.06600	7.2
60.04527	29.6
63.68561	1.2
65.03938	2.6
66.15707	1.4
67.05505	31.2
68.05840	4.8
69.03424	6.9
69.07067	22.3
70.06580	1.9
71.04990	13.9
71.57758	2.6
72.04510	2.3
72.08154	1.5
73.99860	1.3
79.05490	31.9
80.05003	3.3
80.05822	3.0
81.03422	3.3
81.06583	2.2
81.07057	35.8
82.06594	1.4
82.07390	7.3
83.04958	4.9
83.08617	14.1
84.04501	3.1
84.08141	12.0
84.08941	1.3
85.06535	5.2
86.09707	39.0
88.07625	4.6
89.23830	1.4
91.05473	18.8
93.07043	23.3
94.06561	3.2
94.07377	3.8
95.04973	11.7
95.08617	14.7
96.08131	3.9
96.08932	2.3
97.06517	4.8
97.10169	23.2
100.07613	4.0
103.05431	1.5
105.07020	14.3
106.07354	2.8
107.04929	7.2
107.08590	17.6
108.08163	3.0
108.08894	2.9
109.06544	8.2
109.10154	6.7
110.06017	4.5
110.10448	2.0
111.08086	3.3
112.07609	33.1
113.06019	4.3
114.09170	1.5
117.07025	7.9
119.04932	2.3
119.08571	8.7
120.08903	2.6
121.06508	1.9
121.10147	12.2
122.09661	11.0
123.08048	6.3
123.11721	2.6
124.07563	2.3
124.82645	1.2
125.09625	20.5
126.05551	2.5
126.09132	2.0
128.09792	2.6
128.10718	44.3
129.07018	1.8
130.08636	2.7
131.08597	7.4
132.08043	1.7
132.08948	1.7
132.61874	1.2
133.06525	2.3
133.10124	4.5
134.10501	2.1
135.08076	5.2
135.11665	6.8
136.11171	2.2
137.09615	2.9
138.12770	6.2
143.08562	2.1
143.10680	1.4
145.10141	4.4
147.08058	2.0
147.11691	3.1
148.11140	1.7
149.09633	2.6
149.13263	2.2
150.09943	1.7
151.11153	1.4
154.08636	11.6
157.10202	2.3
158.10429	1.6
159.11743	3.7
161.09599	1.5
163.11208	2.7
172.09700	13.0
175.03886	2.0
177.12762	1.8
180.13820	18.4
187.11156	3.4
189.11188	10.8
204.08626	1.6
205.12260	1.4
207.06552	3.9
211.12721	1.3
217.15843	2.7
221.15436	2.6
222.15155	1.5
223.13332	6.2
232.90149	1.8
235.91223	1.3
241.14444	1.4
258.19415	2.1
272.20218	2.6
273.18521	7.7
276.20428	9.1
277.21628	1.5
290.21133	12.4
291.19431	9.0
295.22394	1.3
308.22202	15.6
332.22433	2.1
350.23288	21.7
351.23706	1.5
368.24347	100.0
369.24792	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	368.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78328	0.3
57.03433	0.7
61.02924	1.0
68.30602	0.3
69.03427	2.7
69.26980	3.0
69.27387	0.7
69.98132	0.3
70.06601	0.5
81.03414	1.8
85.02902	6.2
88.27165	0.3
91.03963	0.5
96.89930	0.3
97.02895	2.0
98.20757	0.5
104.04967	0.3
109.02887	0.5
120.08080	0.5
127.03915	1.3
129.29222	0.3
132.04449	9.0
132.05418	0.6
140.44659	0.3
145.04942	1.4
160.03920	0.7
178.04993	71.2
179.05405	1.7
184.23528	0.3
196.20686	0.3
206.04482	100.0
207.04764	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	367.2841
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
52.12012	1.0
53.03929	1.7
55.01852	2.8
55.05268	1.4
55.05510	20.4
56.08292	1.1
56.96556	2.6
57.03423	3.4
57.07077	5.5
62.82600	1.0
65.03930	1.2
67.05500	24.4
68.05826	1.0
69.03422	2.5
69.07068	26.2
70.13860	5.9
71.04974	3.2
71.08625	12.2
79.05492	14.2
81.07053	35.6
81.07521	2.1
83.04965	5.5
83.08621	11.2
85.06541	2.5
91.05466	12.9
91.77225	1.0
93.07031	18.1
95.04957	5.7
95.08603	29.4
97.06520	5.0
97.10169	4.4
98.09711	1.4
99.04496	1.3
99.08097	13.6
105.07014	12.9
107.04945	1.4
107.08599	18.6
109.06513	9.8
109.10154	10.9
111.04446	2.6
111.08110	5.4
113.09650	1.1
117.07010	3.6
119.08570	10.7
121.06518	2.8
121.10157	11.4
123.08057	29.6
123.11705	5.1
125.05974	3.6
125.09615	3.6
131.08560	6.3
133.10118	13.6
135.08072	7.8
135.11676	6.7
137.09615	4.3
137.13258	3.1
139.07501	1.4
143.08527	2.1
145.10124	6.6
147.11659	5.7
149.09639	7.1
149.13240	3.0
151.11140	1.9
153.12732	6.3
157.10226	1.4
159.11700	5.1
161.09645	2.3
161.13354	1.6
163.11201	4.5
165.12639	1.7
167.14326	1.7
169.10098	1.5
171.11636	2.1
173.13254	3.4
175.11211	1.5
175.14868	2.6
177.12802	3.0
177.56682	1.1
179.14294	37.7
180.14702	1.4
181.10187	1.6
181.12225	1.7
189.16420	1.5
191.14240	1.5
193.15883	3.0
195.11588	1.3
203.17944	1.5
205.19194	1.4
207.64507	1.0
223.13263	1.3
223.20491	1.4
233.18973	1.6
251.19989	10.2
275.19989	7.4
275.27298	1.3
276.20523	1.6
289.68573	1.2
293.21060	16.1
293.28372	5.9
303.26740	17.1
321.28101	5.5
331.26300	43.3
349.27365	100.0
350.27747	2.7
367.24683	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.7
55.05495	24.4
56.00654	6.7
57.03419	7.3
57.07073	12.4
64.50272	7.1
67.05495	55.3
69.03423	14.6
69.07063	28.2
71.08633	8.2
75.90654	6.5
79.05495	40.6
81.07050	62.1
83.05006	10.2
83.08573	9.4
88.03072	6.7
91.05470	72.3
93.07028	82.4
95.04947	37.5
95.08584	54.2
97.06535	7.7
102.71137	6.6
105.07026	87.0
106.02847	6.8
107.08588	65.3
109.06519	9.3
109.10166	35.8
111.08109	6.7
114.31383	6.9
117.07035	17.4
119.08568	100.0
120.05003	7.0
121.06487	15.5
121.10109	43.5
123.08105	8.6
123.11707	9.4
124.73095	7.0
128.06226	8.2
129.06993	14.3
129.35901	6.5
131.08551	55.1
133.09222	8.8
133.10126	67.6
133.66946	6.1
135.08002	16.2
135.11691	22.8
141.06953	9.0
142.07712	11.9
143.08565	28.3
144.80290	7.1
145.10144	75.4
146.07341	8.1
147.11697	19.1
149.09630	25.1
149.13361	8.9
155.08553	8.3
156.09297	14.1
157.10101	44.8
159.11667	30.0
161.09627	53.2
161.13313	7.3
163.11203	8.1
168.09222	9.7
169.10069	10.7
171.11700	19.7
173.13280	24.9
175.14799	15.3
181.10152	11.7
183.11684	18.5
185.13217	20.9
187.14854	11.3
194.10974	7.7
195.11763	17.8
197.13332	19.3
209.13234	24.8
210.23117	6.6
211.14876	9.0
225.16348	10.0
227.14232	15.4
366.07162	8.0
367.25894	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	367.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14053	2.7
53.03939	7.4
55.01850	5.0
55.05515	27.0
56.74844	3.2
57.07066	7.6
62.70453	4.3
65.03918	4.8
67.05503	45.1
69.03416	12.1
69.07070	25.5
69.85298	17.0
71.04985	7.5
79.05491	42.2
79.16325	3.0
81.07056	56.0
83.04951	8.1
83.08624	9.3
85.06528	4.0
91.05479	59.8
93.07040	71.5
95.04964	39.1
95.08602	55.9
96.37495	3.6
97.06548	11.7
98.21536	3.8
103.05493	4.1
105.07028	100.0
107.08582	52.9
109.06497	16.3
109.10155	38.1
111.08089	4.8
115.05453	6.6
116.06281	3.7
117.07001	19.6
119.08585	90.5
121.06488	7.1
121.10146	44.7
123.08109	4.7
123.11692	12.5
128.06229	12.2
129.06995	19.4
130.07761	11.0
131.08568	58.1
133.06465	4.8
133.10114	49.1
134.10971	3.3
135.08073	14.7
135.11688	15.7
137.09613	4.5
141.06894	6.0
142.07788	19.5
143.08569	38.7
144.09352	9.1
145.10126	64.2
146.07233	7.0
147.08032	8.9
147.11685	19.3
149.09618	12.7
155.08525	14.2
156.09360	17.8
157.10127	48.7
158.10864	4.4
159.08046	6.0
159.11725	36.9
161.09607	38.4
161.13148	7.2
163.11162	6.3
167.08575	6.8
168.09315	5.3
169.10110	20.2
170.10846	6.0
171.08041	3.6
171.11681	24.9
172.12431	5.2
173.09602	7.1
173.13242	29.1
175.11238	5.2
175.14838	13.6
179.08614	11.3
180.09259	4.0
181.10124	14.9
182.10849	4.7
183.11699	23.5
185.09575	7.0
185.13266	14.4
187.11095	3.8
187.14780	9.2
193.09981	6.2
194.10930	6.9
195.11705	11.5
196.12521	4.7
197.13268	16.1
199.11142	5.1
199.14854	12.0
201.12738	5.5
201.16350	7.8
207.11702	5.4
209.13239	17.0
211.14822	9.3
213.12692	4.2
213.16377	4.0
223.14799	6.9
225.16495	3.9
227.14265	15.0
237.16417	4.2
239.17996	4.8
249.16362	5.7
251.17880	4.9
253.19534	3.6
255.17607	5.2
257.19009	6.2
265.19437	6.3
349.25229	6.1
367.26108	13.0
368.43341	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
54.45446	1.4
55.01863	6.8
55.05510	21.0
57.03432	12.7
62.73835	1.7
65.03934	3.4
67.05504	47.3
69.06722	2.6
69.07069	34.2
70.11706	7.2
71.04994	2.7
79.05489	37.3
79.05959	1.9
81.03435	3.3
81.07053	100.0
83.04972	6.2
83.08617	14.5
85.06550	5.7
91.05484	29.7
93.07042	28.4
95.04974	11.4
95.08608	26.0
97.06535	11.6
97.10155	2.5
98.21412	1.9
99.08089	6.6
105.07027	29.8
107.04969	8.1
107.08606	18.8
108.84836	1.5
109.06505	19.1
109.10149	7.8
110.14482	1.3
111.08071	5.5
113.05989	1.5
117.07014	7.0
117.93443	1.7
119.08582	22.3
121.06495	6.2
121.10141	13.1
123.08078	8.6
123.11691	7.1
125.09637	4.7
129.07040	3.6
131.08568	11.4
132.44212	1.7
133.10114	14.0
135.08113	1.9
135.11687	6.3
137.09625	4.6
143.08580	2.7
145.10156	8.2
147.08070	2.0
147.11684	21.7
149.09602	9.1
149.13263	9.1
151.11234	3.0
152.91425	1.9
156.03168	1.6
157.10139	5.0
159.11658	8.4
161.13283	3.6
163.11180	8.4
163.14679	2.0
165.12753	8.2
169.10191	2.0
170.37921	1.7
171.11772	2.4
173.13286	3.6
177.12756	5.1
187.11261	2.3
191.14348	1.6
193.12271	2.0
194.17651	1.5
195.13828	2.1
207.13995	2.2
229.19441	2.9
239.18140	2.3
247.20599	3.1
257.18973	3.0
275.20068	43.3
293.21082	6.8
298.03387	1.9
349.23651	8.7
367.24771	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23870	1.4
53.03941	3.1
55.01882	7.1
55.05513	26.1
57.03439	21.1
57.07083	2.6
59.05000	5.0
65.03944	3.4
67.05505	74.6
69.03436	4.0
69.07069	31.0
69.23939	16.0
71.04985	4.5
79.05498	48.4
79.05968	2.5
80.94899	1.5
81.03430	3.5
81.07060	100.0
82.07384	2.5
83.05007	8.6
83.08623	16.5
84.04529	1.7
85.06526	4.7
91.05482	38.8
91.06011	2.6
93.07044	46.5
95.04982	10.4
95.08613	44.3
97.02900	1.6
97.06537	12.6
97.10184	7.3
98.21513	2.6
99.08109	2.6
100.07637	1.9
105.07034	35.4
107.04966	7.8
107.08595	28.0
109.06513	9.9
109.10168	19.4
111.08080	5.0
114.51626	1.4
115.05452	1.7
117.07008	12.2
119.08584	28.3
121.06503	5.6
121.10149	19.2
123.08070	6.7
123.11721	11.1
125.06007	2.2
125.09662	5.5
129.07004	5.3
131.08559	16.5
133.06488	2.0
133.10146	27.0
135.08089	4.5
135.11682	10.0
137.05989	3.7
137.09624	4.5
139.11183	2.4
141.06963	2.3
143.08560	2.9
145.10132	14.2
147.08044	1.5
147.11687	18.5
149.09630	10.9
149.13287	6.1
151.11176	4.3
157.10172	4.0
159.08107	2.0
159.11670	10.7
161.13274	5.2
163.11192	8.1
165.12781	6.5
169.10121	2.8
171.11636	3.3
173.11809	2.8
173.13319	4.3
175.11261	3.5
175.14850	1.6
177.12752	2.5
181.10237	1.4
183.11699	2.4
187.11243	1.9
187.14905	2.3
189.11176	3.5
195.13818	2.2
213.09175	1.7
215.17813	1.9
229.19511	2.2
239.17976	4.9
247.20644	4.9
257.18970	6.8
269.17508	1.9
275.20093	42.4
276.20520	2.9
349.19748	2.2
349.23685	6.6
367.11661	2.1
367.16690	1.6
367.21008	5.6
367.25043	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01858	6.3
55.05295	1.9
55.05509	17.3
56.85970	2.2
57.03438	14.0
65.03915	2.2
66.05447	1.8
67.05505	46.6
69.06727	2.5
69.07068	33.0
69.47003	17.2
69.47348	2.1
71.04987	5.3
79.05071	2.5
79.05495	39.3
81.07056	100.0
83.04972	7.6
83.08603	12.5
85.06535	3.7
89.93382	2.1
91.05485	28.0
91.69297	1.8
93.07045	26.9
95.04967	8.8
95.08607	31.1
97.06506	10.7
98.20757	3.6
99.08083	5.9
105.07031	28.2
107.04950	4.9
107.08584	15.5
109.06519	12.3
109.10156	13.2
111.08076	4.9
117.07014	10.0
119.08569	22.1
121.06499	5.3
121.10126	11.1
123.08072	6.6
123.11681	8.0
125.09688	1.9
127.07581	1.9
129.06950	1.9
131.08560	8.2
133.10112	14.6
135.08047	3.9
135.11678	6.4
137.09618	4.8
145.10068	8.4
147.11684	26.5
148.81645	1.6
149.09630	3.7
149.13234	7.1
151.11156	1.9
155.08591	2.0
157.10101	2.9
159.11702	6.7
161.13330	1.8
163.11180	5.0
165.12743	5.9
173.13286	3.8
175.11180	3.8
177.12762	2.8
187.11139	3.0
195.13808	3.0
207.13794	2.4
228.22736	2.1
247.20773	2.6
257.18961	5.3
262.71213	2.0
275.20074	22.7
276.20419	1.9
285.39999	1.9
293.21268	3.5
349.23810	3.2
367.24744	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.2
55.01871	29.9
55.05509	48.4
57.03436	31.0
57.07076	5.9
59.04971	4.5
65.03941	3.9
66.59059	3.0
67.05502	100.0
69.03431	6.4
69.07059	49.5
71.04985	11.3
76.95359	2.8
79.05489	70.5
81.03408	4.4
81.07049	92.9
83.04980	16.6
83.08613	25.9
85.06541	7.3
91.05476	61.3
93.07036	64.1
94.33141	2.6
95.04965	28.5
95.08608	64.6
97.06524	38.2
97.10165	17.7
99.04430	4.5
99.08079	4.9
105.07023	51.5
107.04958	17.1
107.08583	59.9
109.06523	7.8
109.10160	33.3
111.04439	10.4
111.08068	14.5
117.06984	15.0
119.08570	37.0
121.06484	9.2
121.10137	31.6
123.08041	10.2
123.11690	10.9
125.09638	25.8
128.06206	2.8
129.06950	8.2
131.08531	24.6
133.10124	27.7
135.08075	10.5
135.11708	16.5
137.09621	6.2
139.11241	4.9
143.08598	5.3
145.10114	31.8
147.11676	22.1
149.09625	34.0
149.13237	3.8
151.11198	5.6
155.08551	3.6
157.10132	6.7
157.85681	3.4
159.11685	18.8
161.09669	4.2
161.13271	10.6
163.11168	18.1
165.09064	4.6
169.10153	5.0
171.10170	11.3
171.11688	9.9
173.13249	9.4
175.11172	4.0
177.12798	7.0
179.14342	3.9
187.11169	4.7
187.14786	3.3
189.11235	14.4
189.12776	4.3
191.14265	5.5
203.71548	2.9
205.12239	3.5
205.15900	4.1
223.13335	14.4
229.19543	5.1
239.17952	9.3
245.13857	4.4
247.20609	7.1
251.20045	6.1
253.18065	5.0
257.18988	13.6
265.21570	5.2
275.20047	90.0
293.20993	16.1
349.23975	21.7
367.24844	34.7
392.81851	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13023	4.3
53.03934	10.0
55.01876	38.8
55.05276	5.3
55.05513	84.3
57.03222	3.4
57.03434	33.8
65.03951	8.0
67.05177	6.6
67.05502	100.0
68.46324	4.6
69.03409	9.8
69.07063	45.4
69.49972	40.5
69.50298	6.7
71.04980	15.6
78.55027	4.3
79.05490	99.2
81.03409	14.8
81.07053	89.8
83.04981	48.6
83.08218	4.7
83.08624	58.5
85.02911	9.8
91.05480	57.0
93.06489	4.9
93.07044	89.1
95.04969	87.5
95.08598	61.7
97.06555	22.3
97.10157	20.2
99.04456	28.2
105.07023	55.2
107.04964	20.6
107.08589	91.6
109.06493	18.2
109.10141	26.8
111.03822	4.6
111.04460	55.3
111.08044	17.3
117.06995	16.1
119.08572	34.9
121.06499	13.3
121.10130	50.5
123.08041	11.8
123.11707	5.3
125.06004	5.0
125.09613	25.6
129.06982	5.1
131.08571	36.4
133.07614	4.0
133.10124	28.7
135.08020	11.9
135.11719	22.3
137.09633	8.2
139.11182	8.4
141.07013	4.7
143.08582	5.6
145.10117	39.7
147.11674	19.7
149.09612	56.6
149.13225	5.2
151.11151	7.2
153.12773	7.0
159.11658	21.5
161.09648	7.7
161.13174	6.7
163.11200	47.8
165.12747	4.9
171.11649	6.6
173.09628	7.5
173.13240	6.0
175.11209	5.4
177.12659	5.1
181.12234	7.9
187.11121	7.7
189.11218	11.2
205.12064	6.1
205.38226	4.8
211.13293	9.1
223.13326	61.6
229.19557	6.9
239.18036	5.1
247.20589	5.8
257.18976	11.8
268.61688	4.5
275.20044	92.7
276.20392	4.9
293.21127	20.9
349.23715	7.0
367.24814	23.4
368.24777	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01878	4.4
55.05509	23.6
57.03437	8.8
60.99436	1.2
61.02934	1.8
61.28403	1.2
65.92065	1.4
67.05502	19.3
69.03427	4.1
69.07070	22.5
70.84491	4.1
71.08631	25.8
73.02900	1.3
78.60173	1.2
79.05494	14.9
81.03407	6.4
81.07061	19.0
83.04989	3.8
83.08630	6.3
85.02914	2.4
91.03969	2.8
91.05473	8.2
93.07053	12.0
95.04963	6.7
95.08595	11.1
97.02893	2.6
97.06519	2.6
97.10162	7.6
98.21437	1.3
99.08088	21.0
105.07048	5.3
107.04955	2.6
107.08596	10.0
109.06497	2.3
109.10146	6.0
110.88618	1.4
117.07008	3.3
119.08551	3.2
121.06569	3.2
121.10123	3.0
123.08103	3.1
125.09631	5.8
131.08536	3.8
133.10149	3.3
135.08055	2.3
135.11679	2.0
139.11211	2.3
145.10152	1.6
147.11714	2.4
149.13264	2.5
151.11206	1.9
153.09058	2.1
159.11722	1.6
163.11340	1.4
165.12769	1.6
167.10701	4.1
171.10162	1.5
177.12773	3.4
179.10822	1.5
189.11273	3.8
189.66692	1.5
229.97806	1.4
247.20705	1.5
275.20016	11.6
276.20459	1.8
293.21112	100.0
294.21417	3.7
367.24844	20.1
368.25360	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.6
55.01869	20.9
55.05267	3.8
55.05514	51.8
57.03441	28.3
57.07065	9.6
59.05000	2.4
63.58703	2.1
65.03934	6.0
67.05505	100.0
67.06937	2.3
69.03434	7.1
69.07069	32.9
69.27549	31.5
71.04984	10.6
71.08624	11.8
71.09250	2.4
79.05493	66.3
81.03416	17.0
81.07058	99.9
83.04996	20.9
83.08616	21.2
85.06540	11.5
91.05483	82.6
93.07043	62.8
95.04983	31.2
95.08618	45.0
97.02892	5.4
97.06522	12.1
97.10138	7.5
99.04462	3.9
99.08103	8.9
103.05424	3.8
103.97935	2.4
105.07032	65.1
106.07346	3.6
107.04953	22.9
107.08595	56.6
108.99363	2.6
109.05896	2.6
109.06511	16.1
109.10161	63.6
109.14812	2.8
111.04475	3.3
111.08087	7.7
113.09637	2.7
117.07024	13.3
119.08591	26.2
121.06480	8.1
121.10143	18.0
123.08063	14.4
123.11710	10.5
125.09647	11.3
131.08575	16.1
133.06470	4.5
133.10129	89.7
134.10434	3.1
135.08066	7.5
135.11739	13.9
137.09583	17.3
145.10115	13.1
147.11682	8.8
149.09615	9.3
149.13254	4.9
151.11185	49.7
156.63869	3.2
159.11714	8.2
161.09610	2.6
161.13319	3.8
163.11153	14.4
163.14828	5.3
165.09172	3.0
165.12802	4.1
169.12259	7.9
173.09567	3.9
173.13260	5.8
177.12738	8.2
179.10634	2.5
187.14854	3.2
191.10580	3.5
191.14375	3.4
195.13676	4.5
209.11737	3.4
229.19470	4.0
239.18105	2.7
247.20566	5.5
253.14397	6.1
257.19031	4.2
275.20087	36.0
293.21066	13.8
349.23834	4.4
367.24808	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01875	25.9
55.05509	33.5
57.03440	22.4
58.74048	3.6
60.83053	4.3
67.05167	6.9
67.05503	80.5
69.03423	9.7
69.07064	46.8
69.65250	11.6
69.65675	19.7
71.04997	8.2
71.27462	3.7
76.17004	4.1
77.08320	3.5
79.05488	58.0
81.07054	92.1
83.04977	11.7
83.08615	16.0
83.09090	4.3
91.05479	42.2
91.21890	3.9
93.07036	42.7
95.04967	18.2
95.08596	55.2
97.06535	40.9
97.10166	14.8
99.08090	6.2
105.07036	43.7
107.04948	19.3
107.08586	50.6
109.06491	12.7
109.10162	29.4
111.08051	6.1
117.07009	16.8
119.08550	29.9
121.06461	9.4
121.10123	20.0
123.08055	6.2
123.11705	12.7
125.09619	13.1
126.05568	4.8
129.06989	5.5
131.08582	22.9
133.10143	28.0
135.08046	10.0
135.11681	20.5
137.09521	4.0
137.13231	4.0
139.11125	4.8
143.08528	6.2
145.10158	22.8
147.11685	26.2
149.09602	36.7
149.13217	4.9
151.11171	8.3
157.10104	5.5
159.11702	12.9
161.13243	10.5
163.11177	15.8
165.09088	6.1
165.12755	5.1
165.71463	3.8
171.10185	12.3
171.11624	7.8
173.13225	10.1
177.12741	9.2
187.11240	4.2
189.11284	8.3
197.13132	4.9
215.17885	5.6
227.12804	4.8
239.17981	5.2
247.20607	10.8
251.20015	9.6
253.17999	4.2
257.18988	15.2
265.21707	6.8
275.20068	100.0
293.21094	9.8
311.22437	4.5
321.93991	4.0
349.23660	19.3
367.24945	26.4
374.93771	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01880	14.9
55.05513	30.8
57.03437	17.3
57.07085	2.2
65.03935	2.6
67.05505	61.4
67.50374	1.4
69.03429	4.3
69.07067	27.5
70.24052	6.5
70.24429	3.4
71.04990	3.7
76.95572	2.2
79.05496	58.6
81.03420	4.3
81.07059	100.0
83.04981	10.0
83.08621	14.9
85.06544	3.2
87.08054	1.7
91.05485	43.8
93.07045	46.3
95.04967	12.3
95.08611	38.3
97.06538	18.4
97.10165	6.3
98.21403	2.1
99.08092	4.2
105.07034	46.5
107.04965	15.2
107.08593	33.4
109.06515	15.4
109.10156	21.5
111.04469	2.1
111.08072	5.7
117.07017	12.4
119.08575	30.0
121.06522	6.5
121.10130	19.0
123.08070	7.1
123.11703	8.2
125.09652	7.0
127.07558	1.8
129.06984	5.0
131.08563	16.6
133.06441	2.2
133.10126	27.0
135.08080	7.8
135.11708	10.5
135.12592	1.7
137.09642	5.2
137.13368	1.6
139.11188	2.2
143.08542	2.7
145.10126	17.5
147.11694	17.8
149.09599	18.1
149.13297	7.5
151.11191	7.8
155.08611	1.7
157.10104	4.6
159.11678	13.4
161.09648	2.9
161.13277	4.4
163.11150	10.5
165.09045	2.7
165.12755	3.7
169.10226	2.6
171.10228	2.5
171.11684	4.0
173.13300	5.4
175.11183	5.5
175.14734	2.5
177.12749	4.1
183.11705	2.5
185.13269	2.4
187.11154	2.8
187.14864	3.3
189.11220	3.6
191.14323	2.1
193.12318	2.8
197.13339	3.3
199.14874	2.0
227.12932	2.0
229.19598	4.9
239.18065	5.2
247.20549	8.0
251.19965	2.7
257.18924	8.7
264.61273	1.8
265.21655	2.2
269.17520	2.9
275.20065	72.7
276.20633	2.6
293.21198	5.1
349.23743	18.7
357.63797	2.3
367.24774	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.9
55.01873	24.3
55.05512	34.2
57.03429	16.0
59.40482	2.3
61.41874	2.2
65.03932	3.3
67.05505	72.1
69.03426	7.3
69.07065	43.1
70.10725	9.6
71.04982	5.8
79.05489	58.4
81.03403	6.3
81.07054	100.0
83.04977	8.5
83.08620	15.0
85.06518	6.5
91.05469	47.9
91.13396	2.1
93.07043	43.8
95.04959	17.1
95.08054	3.8
95.08602	45.6
97.06521	27.3
97.10165	10.8
99.08103	4.6
103.05435	2.7
105.07025	47.2
107.04967	12.3
107.08588	34.6
109.06529	17.2
109.10165	21.3
111.08078	6.2
117.07031	11.8
119.08580	32.2
121.06503	5.5
121.10116	22.8
123.08070	9.0
123.11713	9.0
125.09637	12.1
129.06995	3.9
131.08569	15.9
133.06526	3.1
133.10112	25.5
135.08043	8.1
135.11676	13.0
137.09578	4.9
137.13210	2.7
139.11101	2.6
143.08508	4.9
145.10117	18.6
147.11674	20.7
149.09608	23.1
149.13269	5.1
151.11162	5.2
155.08406	2.7
157.10124	3.9
159.11674	9.2
161.13245	4.6
163.11147	12.8
163.14786	2.8
165.12769	3.2
171.10185	7.4
173.13260	9.7
177.12651	4.7
189.11220	9.7
229.19470	5.2
233.19247	3.4
239.17874	3.8
247.20615	7.4
251.20074	4.4
253.18065	3.2
257.18942	9.0
261.92267	2.3
265.21625	3.2
275.20047	69.0
293.21240	4.4
311.22226	3.3
349.23792	19.0
367.24994	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89249	1.9
53.03942	7.8
55.01876	25.0
55.05266	2.8
55.05514	37.4
57.03445	17.0
57.07063	2.8
59.05023	2.2
65.03951	3.7
66.29072	1.9
67.05509	71.5
69.00629	1.8
69.03427	4.2
69.07072	38.5
70.29974	6.4
71.04984	4.2
71.19128	2.1
79.05495	64.8
79.32021	1.9
81.03427	3.8
81.07059	100.0
83.04985	8.1
83.08620	17.4
85.02906	3.1
85.06561	6.2
91.05482	43.2
93.07043	54.9
95.04965	15.0
95.08612	39.8
97.06529	25.7
97.10170	9.2
99.08080	2.5
103.05483	2.4
105.07039	46.6
107.04955	17.5
107.08598	38.1
109.06506	11.4
109.10172	20.9
111.04443	1.9
111.08062	5.8
117.07030	17.3
119.08585	33.4
119.09371	3.3
121.06517	7.0
121.10145	19.8
123.08077	9.1
123.11702	8.6
125.09644	8.9
128.06239	3.8
129.07004	5.6
131.08569	20.5
133.10132	27.5
135.08052	8.6
135.11703	11.6
137.09616	6.0
139.11203	3.4
143.08551	2.7
145.10129	21.8
147.11674	23.3
149.09622	25.3
149.13248	9.7
151.11220	5.8
157.10161	5.4
159.11705	12.0
161.13272	6.1
162.19753	1.8
163.11211	12.6
163.14778	2.9
165.09100	3.4
165.12764	6.1
171.10294	2.8
171.11725	5.2
173.11818	2.9
173.13280	5.2
175.11232	4.9
175.14745	2.5
177.12753	6.0
189.11246	5.7
191.14452	3.1
193.12280	2.3
195.13750	2.1
197.13181	2.2
215.17928	2.2
226.18272	2.0
227.12749	3.6
229.19574	5.9
239.18011	5.4
247.20589	8.1
257.19067	11.3
275.20065	67.5
293.21078	6.5
309.95364	2.3
349.23782	14.9
367.24860	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01870	29.0
55.05507	42.6
56.30841	2.1
57.03431	17.1
57.07069	4.1
64.25342	2.5
65.03917	4.9
67.05499	77.3
68.05820	2.5
69.03416	7.8
69.06718	3.7
69.07063	41.2
70.86465	5.2
71.04975	6.4
71.08625	4.7
75.48107	2.1
79.05488	73.7
79.99282	2.3
81.03406	7.9
81.07050	87.5
83.04961	12.7
83.08607	20.1
85.02913	3.0
85.06497	3.0
91.05474	49.5
93.06480	4.6
93.07035	53.8
95.04958	21.4
95.08600	51.9
97.06532	37.8
97.10152	16.6
99.08087	7.2
105.07026	55.0
107.04955	21.5
107.08582	47.2
109.06494	15.9
109.10146	32.0
111.04418	7.8
111.08078	10.2
115.05432	2.5
117.07004	14.4
119.08569	43.1
121.06522	8.5
121.10124	26.0
123.08058	10.2
123.11687	10.4
125.09617	20.3
126.05460	3.0
126.28608	2.1
128.10736	2.3
129.06995	5.2
131.08551	25.5
133.10120	30.5
135.08086	10.9
135.11713	14.3
137.09607	5.3
139.11121	2.4
143.08592	2.9
145.10103	25.9
147.07935	3.2
147.10637	3.2
147.11688	24.4
149.09608	33.1
149.13229	4.3
151.11153	9.1
153.09189	4.2
153.12703	2.2
155.08565	3.6
157.10124	4.6
159.11681	17.8
161.09554	2.7
161.13292	5.8
163.11156	21.4
165.12743	5.9
169.10075	5.0
171.10161	5.7
171.11595	3.9
173.13283	8.4
175.11249	3.2
175.14709	3.5
177.12700	7.2
183.11673	3.9
187.11261	4.4
189.11226	14.6
189.12668	3.2
191.14276	3.9
193.12314	2.9
195.13678	2.7
203.14059	2.4
205.12259	2.8
223.13332	6.5
227.12782	7.2
229.19478	5.3
239.17921	7.9
247.20557	10.9
251.20070	6.1
257.19028	13.3
265.21539	6.4
275.20050	100.0
276.20468	3.9
278.21814	2.4
293.21097	19.9
338.19412	2.5
349.23828	19.4
350.23755	3.5
367.24893	33.8
368.24728	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.2
55.01871	18.0
55.05509	46.1
57.03440	21.7
57.07070	5.4
62.16217	2.5
65.03934	2.6
67.05502	68.8
69.03431	4.1
69.07064	40.0
69.96870	13.6
71.04989	6.9
71.08634	27.6
74.72755	2.1
79.05492	50.2
81.03423	8.0
81.06579	5.3
81.07054	82.0
83.04971	13.6
83.08630	15.6
85.06551	5.5
91.05479	47.2
93.07046	49.4
95.04971	22.8
95.08604	40.1
97.02897	3.1
97.06528	11.8
97.10168	11.5
99.08093	16.8
105.06393	3.6
105.07030	46.2
107.04965	15.7
107.08600	31.7
109.06519	13.4
109.10153	37.5
111.08057	5.6
115.05460	3.4
117.06993	7.2
119.08567	19.7
121.06528	12.9
121.10125	17.3
123.08061	8.5
123.11722	7.0
125.09633	8.9
129.06999	4.2
131.08569	16.5
133.10127	34.5
135.08066	5.3
135.11676	10.9
137.09607	9.2
139.11162	2.9
141.09122	2.4
143.08597	3.0
145.10135	12.8
147.11684	12.7
149.09656	10.8
149.13214	5.9
151.11172	17.4
159.11713	7.9
161.09586	3.0
161.13271	5.2
162.98476	2.7
163.11169	8.9
165.09126	2.2
165.12726	6.6
169.12276	4.4
171.11682	4.0
173.13274	7.5
177.12743	8.7
189.11232	3.7
219.13623	2.7
229.19435	4.1
247.20624	5.5
257.19000	7.9
265.21732	3.4
275.20023	55.9
293.21115	100.0
294.21472	3.2
348.15994	2.7
349.23666	8.0
367.24780	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	23.0
56.05037	16.6
69.03414	23.1
69.46080	25.7
69.46480	100.0
70.06584	57.3
71.05001	19.9
72.08147	49.6
79.05478	14.9
81.03397	18.6
81.07041	41.1
84.04472	13.5
84.08145	56.8
85.02877	22.8
86.09708	44.2
87.10034	16.1
91.05490	25.3
93.07005	19.7
98.05964	14.1
98.21532	23.7
100.07624	25.7
107.08566	14.0
109.10140	17.3
110.07170	18.2
119.08582	26.4
122.06059	14.5
122.40091	11.8
123.11662	16.6
128.07082	15.7
129.07002	12.9
129.10243	19.2
131.12971	13.3
132.15198	14.0
136.07608	19.3
137.02356	33.8
145.02985	17.1
147.04341	14.9
151.11182	18.6
177.05502	14.4
182.08105	16.9
187.13330	37.4
207.07677	27.1
208.07970	41.6
232.33473	13.8
271.10901	18.8
324.12738	54.3
367.13467	39.0
376.81027	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	367.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98927	1.7
53.03922	2.9
54.29200	2.2
55.01872	10.9
55.05511	23.6
56.96565	18.1
57.03431	12.6
64.40158	2.0
65.03950	2.0
67.05184	2.6
67.05501	38.0
69.03407	6.2
69.07063	15.8
70.74294	6.6
71.04975	4.5
71.08623	2.3
77.19263	1.9
79.05492	37.1
81.03400	4.5
81.06593	3.0
81.07054	49.3
83.04997	12.2
83.08618	14.7
84.04488	4.6
85.02895	2.6
85.06534	4.0
91.05477	24.7
93.07041	28.1
95.04970	19.5
95.08597	23.9
97.02865	2.6
97.06494	6.5
97.10143	5.2
99.04433	3.5
100.07615	2.9
105.07037	21.1
107.04963	9.8
107.08590	21.3
109.06503	5.6
109.10135	14.0
109.29560	2.3
111.04403	8.2
111.08072	4.3
115.05396	2.5
117.06977	5.7
119.08556	19.7
121.06498	4.9
121.10131	15.7
123.08039	4.7
123.11652	5.1
125.09571	6.4
127.05860	2.4
128.98549	3.1
129.06956	3.7
131.08565	13.2
133.10117	13.5
135.08043	5.3
135.11661	6.2
137.09634	2.7
138.05464	2.4
145.10104	10.9
146.99672	3.0
147.11639	7.7
149.09590	17.5
149.13300	2.3
151.11240	3.2
159.11635	6.8
161.09692	2.6
163.11153	10.3
165.12697	3.3
169.10020	2.6
171.11780	3.1
173.04826	2.1
173.13197	4.1
175.11295	2.8
203.05908	2.8
205.12280	3.3
213.08028	3.2
217.07462	3.3
223.13243	5.8
229.07529	3.0
231.08987	8.7
241.11115	3.7
243.08971	4.8
251.09511	5.5
255.08891	5.2
257.19055	5.6
259.12125	5.4
269.10544	18.7
273.10071	4.9
275.20078	29.5
279.80020	2.1
287.11594	14.7
293.21033	6.0
331.15707	5.9
335.14890	3.1
349.16797	11.0
349.23590	4.0
367.12030	3.5
367.17432	100.0
367.24893	9.4
367.34586	2.6
385.18832	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	367.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05126	12.2
63.02627	11.1
66.92552	10.4
70.28101	52.0
101.78217	11.3
105.74760	14.4
127.20902	11.2
140.24164	13.4
159.44221	12.9
226.64798	17.0
367.10275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96299	4.7
56.96563	61.6
57.03404	3.8
58.47336	2.6
61.02892	5.5
69.03416	6.5
69.52385	11.5
69.52821	13.9
70.06580	6.8
71.04975	3.1
73.02903	5.4
74.59774	2.7
76.11507	2.7
76.81567	2.8
81.03387	3.5
83.62351	3.1
84.04511	3.7
84.08134	36.0
84.96048	5.1
85.02884	10.4
87.04499	3.0
90.65714	2.6
91.41199	3.5
97.02859	7.6
98.21572	3.2
98.97578	72.4
100.99134	15.0
110.97585	11.5
112.99117	14.1
116.98618	46.7
119.00183	6.9
119.01918	5.8
122.07136	7.2
128.98575	18.1
130.08644	15.7
131.00168	30.8
131.01912	4.4
133.03555	4.0
134.99654	22.8
143.00128	6.3
145.01718	13.4
146.99634	13.4
149.01212	34.7
157.03513	3.1
158.99614	8.2
161.01176	14.8
162.99129	2.9
163.02777	41.9
165.00754	6.5
167.02283	10.7
170.05026	3.0
170.99699	7.0
173.02962	3.8
177.00708	12.8
179.02347	7.7
181.03792	28.5
182.06342	8.8
187.02821	8.1
189.00702	6.5
205.03841	19.4
219.01726	20.3
223.04890	24.7
227.04066	4.3
228.06990	11.0
237.02785	67.8
241.05995	5.2
255.03857	6.6
273.07101	3.1
307.07004	51.8
307.10571	7.4
325.08041	40.8
367.09772	100.0
385.10370	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	366.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	4.9
55.01860	6.8
55.05308	2.2
55.05513	26.8
56.05025	5.9
57.03428	4.3
58.06591	2.7
60.04519	19.5
62.65594	2.1
65.03933	2.6
67.05502	38.0
68.05014	3.3
69.03423	3.8
69.07059	33.2
70.06576	5.9
79.05496	43.5
79.69146	1.9
80.05010	50.3
81.03419	4.2
81.07052	40.4
82.06582	4.9
82.07384	3.1
83.04964	3.8
83.08608	15.7
84.08114	2.9
88.25196	2.0
91.05481	35.1
93.05793	2.6
93.07033	37.6
94.06563	24.2
94.63151	2.5
95.04975	10.7
95.07355	5.2
95.08601	30.6
96.08124	6.1
97.06528	6.2
97.10183	15.8
98.09688	7.8
98.20610	4.0
98.45456	2.1
105.07017	44.8
106.06565	7.5
107.04953	4.2
107.08583	38.5
108.08126	11.4
109.06513	6.1
109.10121	11.4
110.06071	2.5
111.20928	2.2
117.07018	7.5
119.08575	26.1
120.08080	4.6
121.06525	4.8
121.10136	17.9
122.09672	2.6
123.08089	3.7
124.11186	3.9
125.09613	15.3
126.05499	2.3
129.07022	3.7
131.08527	12.5
133.10129	17.8
134.09636	4.6
135.08075	5.9
135.11690	7.5
136.11133	3.3
138.12772	4.3
143.08574	2.9
145.10156	11.4
147.07964	2.7
147.11668	12.0
148.11040	3.1
149.09656	5.5
153.09064	3.2
159.11690	11.8
161.13280	7.0
162.12811	3.3
163.11131	4.8
169.10143	2.5
171.11684	7.1
173.13223	5.1
176.14348	3.3
180.13893	3.7
183.11781	2.6
189.12790	4.0
192.13806	4.5
203.12819	5.5
204.13770	14.7
206.05914	2.3
206.15422	5.4
224.16475	3.7
226.18283	2.5
236.16441	27.1
237.17041	2.4
238.18007	12.6
257.18997	11.0
272.20306	3.7
274.21628	17.7
275.20004	18.4
286.30136	2.3
289.21573	27.1
292.22784	2.9
293.21115	2.1
304.22757	4.9
306.24261	100.0
307.24719	4.7
316.22745	4.3
324.25214	2.4
348.25571	14.5
348.29175	3.9
349.25970	2.9
366.26578	60.3
367.18790	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	366.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	0.4
55.05453	1.3
57.18517	0.4
60.04472	2.5
60.58331	0.4
60.78401	0.3
67.05450	1.1
69.07043	0.3
70.06535	1.1
71.17907	0.3
71.57705	0.6
72.08152	5.4
76.24371	0.3
76.80469	0.3
79.05444	1.1
81.03373	0.4
81.06996	1.0
84.04458	0.8
84.08070	1.1
85.02863	0.5
86.09715	2.8
87.05581	2.2
91.05470	3.2
92.05002	4.0
93.05753	0.8
93.06988	0.9
93.07510	0.4
94.06520	0.8
95.08604	0.4
105.06972	1.5
106.06543	1.6
107.08522	0.7
109.02763	0.5
110.05969	0.4
112.07574	0.7
112.11160	0.4
117.05698	1.5
117.06956	0.7
118.06542	15.9
119.07327	2.1
119.08521	1.2
120.08101	12.9
121.10064	0.3
126.36775	0.3
129.06943	0.4
130.06456	1.3
131.07257	0.6
132.08076	2.1
132.10152	0.5
134.06848	0.3
134.09613	0.9
135.07968	0.5
136.06113	1.3
136.07521	0.4
137.05818	0.5
144.08095	2.7
146.09605	1.1
154.66743	0.3
158.09625	0.4
159.07790	0.4
160.11183	0.4
162.09131	15.5
163.03885	0.5
163.08919	0.3
163.09914	3.3
164.10678	0.7
166.08647	0.5
173.12888	2.3
176.10667	0.9
187.11095	0.3
191.08153	0.5
194.15387	0.4
201.12508	0.4
202.15923	4.5
207.11281	11.5
218.07663	0.4
230.15399	23.5
231.15651	0.4
234.07706	0.4
235.10690	1.5
248.16415	1.7
260.20099	3.4
274.18060	0.7
277.22864	0.4
279.17001	0.4
292.19037	45.9
293.19391	1.4
304.18936	0.4
331.27356	1.6
348.30194	1.0
349.28177	0.4
366.22751	100.0
367.11719	0.7
367.16034	0.7
367.22977	2.1
370.64142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.6
56.05006	7.2
56.87598	5.2
60.04526	100.0
67.05488	20.6
69.07063	6.4
69.52557	8.3
69.52956	42.2
70.06571	11.2
71.04982	11.3
72.08131	15.4
79.05493	16.0
81.07060	22.1
83.08605	8.6
84.04501	16.2
84.08144	13.2
85.02914	7.3
85.06535	17.8
86.09692	22.3
91.05467	13.3
93.07036	24.1
98.21443	10.7
105.07029	9.9
106.01302	6.2
107.08606	15.1
109.10149	10.0
110.07151	9.7
111.08063	13.1
116.18905	5.9
119.08614	8.9
120.08046	7.1
126.05495	20.4
130.06519	6.2
133.10114	16.4
135.11655	7.8
136.06190	15.6
147.04424	6.7
151.11156	14.4
169.12291	19.2
187.13254	30.6
202.41521	5.8
204.08662	10.1
216.59846	5.4
312.25229	16.5
330.26331	11.3
348.27072	12.9
366.23682	9.6
366.28262	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	366.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72015	0.7
55.05497	1.7
60.04523	10.3
65.03941	0.8
67.05488	1.6
69.07067	1.0
70.02948	1.3
70.06577	1.4
71.58417	0.9
72.08155	9.7
79.05482	1.9
81.07031	2.1
84.08128	2.6
86.09703	34.7
87.05590	8.3
91.05476	6.1
92.05024	4.1
93.07026	1.6
94.06562	1.2
95.08623	0.9
103.05460	0.8
105.07024	1.4
106.06534	2.2
107.04926	0.8
109.10139	0.8
112.07629	1.1
112.11249	1.3
117.05739	1.3
118.06543	15.4
119.07316	1.6
119.08606	2.2
120.08099	22.7
121.10161	0.6
123.04472	1.1
128.10718	3.6
129.06992	0.9
129.13914	0.7
130.06468	1.2
131.08516	0.8
132.08102	1.0
133.02847	2.3
133.10027	0.8
136.06155	3.9
137.05960	2.2
144.08086	2.1
146.09669	0.8
147.04422	1.1
159.11629	0.8
162.09140	16.1
163.09892	3.3
164.10670	0.8
166.08649	5.4
173.12859	45.9
175.03790	0.7
201.12352	9.1
202.15956	4.1
207.07854	1.5
207.11296	9.0
230.15398	24.0
235.10905	1.0
248.16383	0.9
260.20105	5.8
279.17206	0.7
292.19058	44.1
293.19315	1.6
323.12125	1.0
331.27444	2.5
348.30209	2.8
349.14221	1.1
349.28421	1.4
350.88638	0.7
366.22763	100.0
366.30646	2.5
367.15506	1.1
367.23013	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01853	1.0
55.05498	0.6
56.05030	0.4
57.03439	3.7
59.04974	0.5
60.04523	5.9
60.05622	0.5
61.02924	2.2
61.44860	0.3
67.05476	0.8
69.03427	9.6
69.07049	0.3
70.06585	1.7
70.07401	1.6
71.01338	1.1
71.04988	2.3
71.06887	0.3
72.08154	3.1
73.02914	1.4
74.06073	0.3
75.04465	0.5
79.05486	1.9
81.03396	1.5
81.07042	1.4
82.62296	0.3
84.04485	1.0
84.08132	1.7
85.01165	0.3
86.09683	0.9
86.50790	0.3
87.04420	0.4
91.05456	1.0
92.04996	0.3
92.16544	0.3
93.07027	0.9
95.04956	0.5
95.08584	0.8
98.06027	0.7
98.20793	0.4
98.97557	0.3
99.04447	2.6
100.07600	0.8
104.04967	0.5
106.06533	3.1
107.08606	0.7
110.07151	0.6
114.10258	0.9
115.08636	0.3
116.04977	3.9
116.07077	0.4
117.05499	0.9
117.06963	0.3
118.05283	3.0
118.06571	0.9
119.08540	0.4
120.08086	1.1
124.07578	0.3
129.10219	0.7
130.05063	0.3
130.06500	1.1
131.05055	0.3
131.06030	1.4
131.12915	0.6
132.06812	0.5
133.02821	0.4
133.07610	10.6
133.10109	0.3
134.05988	1.1
134.07936	0.4
136.06140	0.3
136.07521	0.6
143.06038	2.0
144.04433	0.6
144.08087	0.6
145.07605	13.5
146.08366	1.1
147.09203	1.5
148.06308	0.6
149.10750	0.4
156.06848	0.4
157.07549	1.7
157.10800	0.9
158.04800	0.5
158.08333	0.5
159.09155	0.8
161.07106	2.8
163.08676	13.6
170.08257	0.4
171.05516	1.3
171.09131	1.5
172.07571	0.5
173.07089	1.1
173.10730	0.8
175.08676	4.2
176.09404	0.9
177.06656	2.3
183.09146	1.0
185.07074	0.4
185.10735	1.1
187.08640	0.5
189.06589	7.1
189.10205	0.4
190.08568	0.4
191.08119	1.2
193.04936	0.4
199.08691	0.6
200.09514	1.7
201.10258	2.3
202.11029	0.4
203.08205	0.5
203.11867	0.7
205.09732	1.0
207.07646	100.0
208.07957	2.3
213.10236	1.1
214.06128	1.5
215.08099	0.6
215.11790	0.8
217.09697	0.8
218.08162	0.4
229.09717	0.7
230.10492	0.4
231.11250	1.0
232.07158	12.2
241.09676	0.7
243.11420	0.7
245.09439	0.4
249.12334	0.9
253.06447	0.6
261.08759	0.6
261.12323	1.5
269.09329	0.7
275.10260	0.5
279.13364	7.2
287.10254	1.2
305.11307	3.5
312.25269	0.5
323.12363	49.9
324.12766	2.0
330.26434	1.4
348.11841	5.2
348.15802	0.4
348.27466	2.9
349.18491	0.3
366.12958	41.9
366.21017	1.2
366.28061	2.0
367.13257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
53.03922	0.5
55.01839	0.9
55.02081	0.5
55.05460	2.9
57.03384	1.6
57.07025	1.2
58.30112	0.4
67.05497	3.5
69.03397	0.4
69.07066	4.2
71.04940	0.5
71.08607	0.6
79.05489	3.2
81.07055	4.1
83.04942	0.7
83.08571	1.6
85.06549	2.0
86.49259	0.4
91.05494	2.2
93.07049	3.1
95.04956	2.5
95.08604	3.2
97.06491	1.3
97.10119	0.8
99.08038	0.6
105.07029	3.0
107.04942	0.7
107.08594	2.8
107.95392	0.4
109.06516	3.0
109.10102	1.1
111.04379	0.7
111.08048	0.8
113.05989	3.3
119.08515	1.4
121.06474	0.4
121.10080	1.0
123.08062	6.4
124.08798	1.3
124.99329	0.4
125.05940	0.9
131.08496	0.9
133.10046	0.8
135.08049	2.7
135.11638	0.9
136.27740	0.4
137.05907	1.0
137.09541	1.0
137.13159	0.5
139.07501	0.7
143.08527	0.7
145.10066	0.7
147.07840	0.4
147.11588	1.3
149.09546	0.9
151.07545	4.4
151.11192	0.6
152.08328	4.1
157.10088	0.7
159.11751	0.5
161.09587	0.6
161.13211	0.6
163.11093	0.8
164.08284	0.5
165.09106	15.9
165.12730	0.8
166.09805	0.9
173.13200	0.4
174.81705	0.5
175.11095	1.0
177.09071	0.8
177.12637	0.7
179.10692	2.7
179.14265	0.4
191.10638	0.7
193.12209	2.0
195.13771	0.7
207.13722	0.6
208.14684	1.9
217.15836	0.5
219.13744	0.9
221.15399	2.6
235.16811	0.8
249.18404	0.9
263.20099	1.1
273.18466	1.3
291.19647	2.9
303.34537	0.4
305.24802	3.6
306.25082	0.5
319.26337	5.4
323.62579	0.4
347.25800	52.4
348.26059	3.2
365.26868	100.0
366.27310	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.36187	0.3
53.03938	0.5
54.95660	0.3
55.01865	0.7
55.05515	2.7
57.03428	0.8
57.07070	3.1
67.05502	4.5
69.03425	0.9
69.07072	2.7
71.04999	0.4
73.79409	0.4
78.94594	0.4
79.05504	2.8
81.07059	5.0
83.04970	1.1
83.08624	0.7
85.06548	1.4
91.05482	3.0
93.07036	3.7
95.04967	3.9
95.08592	3.4
97.02882	0.6
97.06533	1.0
97.10173	0.5
99.08115	0.4
105.07022	3.8
106.35199	0.4
107.04978	0.5
107.08579	3.9
109.06516	2.8
109.10147	2.3
113.06023	0.5
117.07008	1.1
119.08583	3.3
121.06512	0.9
121.10130	2.0
123.08053	4.5
124.08828	1.8
125.09591	0.4
129.06998	0.8
131.08560	1.8
133.10152	2.3
135.08032	2.0
135.11734	0.8
137.05991	0.6
137.09595	0.6
139.07526	0.6
142.07799	1.3
143.08635	1.8
145.10133	2.3
147.08025	0.7
147.11707	0.9
149.09659	0.7
151.07538	4.8
151.11189	0.5
152.08330	7.2
155.08601	1.1
156.09285	0.7
157.10112	3.1
159.08055	0.4
159.11693	2.1
161.09653	1.2
161.13277	0.5
163.11182	0.4
165.06996	0.6
165.09113	10.4
166.09885	0.5
167.08601	0.5
168.09337	0.6
169.10066	1.8
170.10857	0.5
171.11739	1.5
173.13272	0.6
175.11148	0.7
177.12811	0.6
179.08505	0.6
179.10634	2.0
180.09285	0.4
181.10193	1.0
182.10974	0.6
183.11726	1.1
185.13249	1.5
187.11220	0.6
187.14816	0.8
193.10179	0.6
193.12262	0.5
194.11191	0.6
194.12996	3.7
195.11739	1.4
197.13301	1.2
203.05302	0.4
203.14253	0.5
206.10933	0.7
207.11687	1.5
207.13812	1.6
208.12463	0.5
209.13199	2.1
211.14902	0.6
213.12897	0.6
217.15855	0.4
220.12473	0.7
221.13351	1.2
222.14128	0.6
223.14856	0.9
227.14246	0.4
233.13243	0.6
234.14064	0.5
235.14838	0.6
235.17046	0.5
237.16440	0.6
247.14830	0.4
249.18604	0.9
263.20148	2.7
277.21750	0.6
281.18997	0.4
291.19653	1.7
307.20441	0.4
312.67838	0.4
319.26309	1.1
347.25897	18.5
348.26154	0.7
365.26917	100.0
366.27277	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01865	5.3
55.05510	28.9
57.03419	4.6
57.07065	7.0
67.05504	52.6
69.03430	6.3
69.07059	24.9
69.64408	25.8
79.05495	39.8
81.07057	46.9
83.04987	7.0
83.08617	16.2
85.06535	6.7
89.99622	4.0
91.05476	48.0
93.07044	57.8
95.04974	59.6
95.08607	51.1
97.02888	7.2
97.06522	8.5
97.10177	4.2
105.07030	59.5
107.08599	44.4
109.02861	4.1
109.06535	15.4
109.10156	21.8
117.07024	14.8
119.08579	63.1
121.10151	16.8
123.08080	7.1
125.09607	7.6
128.06245	11.8
129.07005	17.8
131.08578	38.3
133.10112	34.0
135.08081	20.3
135.11710	16.8
136.79930	4.6
141.07016	11.9
142.07794	25.8
143.08559	34.0
144.09352	8.9
145.10118	40.2
147.08038	12.6
147.11694	20.9
149.09607	6.5
149.13257	5.2
153.06961	6.7
154.89633	4.4
155.08575	15.0
155.57703	4.5
156.09341	18.2
157.10126	49.0
158.10849	6.3
159.08046	8.5
159.11702	48.9
161.09659	7.8
161.13274	12.1
165.07063	5.6
167.08548	14.5
168.09372	10.7
169.10139	29.1
170.10927	13.1
171.11664	35.0
172.12531	7.3
173.09636	9.8
173.13281	16.3
175.11148	13.6
179.08569	16.1
180.09375	8.7
181.10103	21.8
182.10889	11.9
183.11636	27.7
184.12384	4.5
185.13255	37.1
187.11159	25.3
187.14810	19.4
189.12848	5.6
192.09343	9.6
193.10086	25.5
194.10934	8.9
195.11688	36.3
196.12512	10.9
197.13242	25.1
199.11157	5.7
199.14816	5.6
201.12869	5.2
203.14450	6.6
205.10216	6.5
205.15974	10.8
206.11011	6.2
207.11703	28.4
208.12497	13.7
209.13324	29.2
210.14059	8.0
211.11115	7.3
211.14827	14.3
213.12695	21.0
219.11816	6.2
221.13301	27.4
222.13966	5.5
223.15025	21.8
225.16330	5.8
232.12366	5.6
233.13304	13.0
234.14030	9.3
235.14816	11.8
236.15675	6.5
237.16356	17.2
238.17151	5.9
239.17982	8.9
247.14844	10.4
248.15666	7.4
249.12756	5.3
249.16460	16.8
250.17078	5.3
251.17976	18.5
263.17950	10.4
264.18921	4.5
265.15887	8.3
265.19565	8.7
267.17438	6.3
269.18839	7.0
273.16217	6.1
277.19452	4.9
281.19098	7.0
291.16858	7.2
291.20010	22.7
299.17804	5.4
317.19135	5.7
347.23566	37.9
365.24689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48608	5.1
55.01871	7.4
55.05503	33.8
55.46156	5.0
57.03424	7.5
57.07056	8.3
66.16605	5.3
67.05506	62.7
69.07072	31.4
69.62336	5.5
69.88731	37.7
70.99111	5.7
71.41463	4.6
79.05494	34.9
81.07055	50.7
83.04988	11.1
83.08604	12.6
85.06540	11.5
88.43115	6.5
90.33772	6.1
91.05492	61.8
93.07060	53.0
95.04968	72.0
95.08604	52.0
97.10201	12.1
98.21436	8.3
103.05465	8.4
105.07040	65.7
107.08588	52.0
109.06531	14.9
109.10141	25.1
111.08103	5.9
113.41100	5.2
117.07019	18.3
119.08589	79.4
121.06487	15.3
121.10152	22.2
123.08073	10.7
125.09608	6.9
128.06235	8.7
129.07021	19.9
131.08569	33.8
133.06554	6.5
133.10139	44.2
135.08035	18.7
135.11694	9.4
137.09715	5.8
141.07034	11.1
142.07756	27.0
143.08577	48.3
144.09309	7.5
145.10124	40.5
145.70247	7.1
147.11696	11.6
155.08548	15.4
156.09361	23.6
157.10130	61.3
159.08093	9.7
159.11731	38.1
161.09587	18.7
161.13268	8.2
163.11227	7.8
167.08563	11.8
168.09261	5.9
169.10149	20.0
170.10880	13.9
171.11720	23.7
173.09657	11.6
173.13260	13.8
175.11212	6.4
175.14711	6.5
179.08563	10.4
180.09302	9.6
181.10104	17.4
182.10899	9.6
183.11723	29.6
185.13245	75.5
187.11180	12.9
187.14783	10.4
193.10126	17.6
194.10947	11.0
195.11713	23.2
196.12457	14.8
197.13257	16.9
199.14851	12.1
205.15950	11.1
207.11635	24.2
208.12518	9.8
209.13220	21.8
211.11223	6.3
211.14857	14.1
213.12741	9.3
221.13275	24.1
223.14809	22.6
233.13281	8.5
235.14845	11.9
237.16449	9.5
247.14783	10.6
249.16454	10.9
251.18018	10.8
263.17929	10.8
267.17438	12.3
273.18536	8.4
274.26440	6.0
289.19470	9.6
291.16949	7.9
291.19772	14.2
309.18405	8.6
347.23691	34.7
365.10626	12.1
365.24683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02742	3.2
55.01852	3.8
55.05506	17.0
57.03444	6.3
57.07077	7.0
67.05500	36.0
69.03414	6.2
69.07070	20.4
69.34869	36.8
79.05484	20.4
81.07063	39.3
83.04948	4.9
83.08630	5.8
85.06533	6.4
88.12344	3.3
91.05473	38.6
93.07029	43.8
95.04967	51.1
95.08599	35.2
97.06538	5.9
97.10130	5.1
103.05432	4.4
104.37553	3.2
105.07038	51.9
107.08595	33.1
109.06505	13.8
109.10168	19.7
113.05998	3.7
117.07021	15.6
119.08582	60.4
121.06535	5.4
121.10130	18.0
123.08054	7.9
123.09606	3.3
123.11713	4.1
125.09594	5.5
128.06215	10.9
129.07002	14.3
130.07828	3.6
131.08549	23.0
133.06490	4.8
133.10091	28.2
135.08025	17.7
135.11667	6.3
141.06938	5.4
142.07756	27.3
143.08563	43.7
144.09340	8.4
145.10136	37.4
147.08090	3.9
147.11678	6.3
149.09615	4.7
151.11151	4.0
154.07733	6.1
155.08554	15.8
156.09317	19.7
157.10133	68.4
158.10922	4.5
159.08092	4.9
159.11697	33.2
161.09589	7.4
163.11174	4.8
165.06941	7.2
166.07722	4.5
167.08534	8.6
168.09357	4.3
169.10168	19.7
170.10867	10.9
171.11668	25.5
173.09598	8.7
173.13223	12.9
179.08525	9.8
180.09267	7.9
181.10159	19.0
182.10890	9.8
183.11682	21.6
184.12512	5.2
185.13246	66.5
187.11183	14.7
187.14786	13.8
189.12785	5.1
192.09265	4.3
193.10143	18.3
194.10883	12.3
195.11671	26.7
196.12447	10.4
197.13266	24.9
199.11156	5.9
199.14851	9.6
201.12744	4.6
203.05286	4.0
203.14291	3.8
205.15881	5.1
206.10822	5.6
207.11681	24.6
208.12463	14.2
209.13214	28.0
210.13991	4.7
211.11180	6.0
211.14751	13.4
213.12759	11.6
213.16426	5.7
218.10847	6.6
219.11684	6.5
220.12413	8.9
221.13257	17.7
222.13957	7.6
223.11243	5.0
223.14958	24.2
225.12582	5.0
225.16360	5.7
227.14183	5.3
229.15808	5.1
231.11804	6.4
233.13240	12.6
234.14046	5.7
235.14871	11.4
236.15553	8.6
237.16344	16.1
239.14297	5.7
239.17934	5.3
241.15862	5.7
247.14841	8.0
248.15601	3.9
249.16414	16.3
251.17924	12.2
255.17477	5.6
261.16397	6.3
263.17926	10.1
264.18933	4.5
265.15985	5.4
265.19507	6.7
267.17447	5.9
269.18964	7.8
269.45047	3.9
271.17090	5.0
273.18741	5.6
277.15921	5.0
277.19254	4.9
281.18976	7.6
282.19464	3.5
289.19653	4.3
291.17221	11.6
291.19617	12.4
299.17969	3.6
305.98163	3.7
307.20444	3.9
309.18454	5.8
317.18814	4.2
329.22641	4.1
337.25229	3.8
347.23584	31.7
365.24753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01865	5.3
55.05510	28.9
57.03419	4.6
57.07065	7.0
67.05504	52.6
69.03430	6.3
69.07059	24.9
69.64408	25.8
79.05495	39.8
81.07057	46.9
83.04987	7.0
83.08617	16.2
85.06535	6.7
89.99622	4.0
91.05476	48.0
93.07044	57.8
95.04974	59.6
95.08607	51.1
97.02888	7.2
97.06522	8.5
97.10177	4.2
105.07030	59.5
107.08599	44.4
109.02861	4.1
109.06535	15.4
109.10156	21.8
117.07024	14.8
119.08579	63.1
121.10151	16.8
123.08080	7.1
125.09607	7.6
128.06245	11.8
129.07005	17.8
131.08578	38.3
133.10112	34.0
135.08081	20.3
135.11710	16.8
136.79930	4.6
141.07016	11.9
142.07794	25.8
143.08559	34.0
144.09352	8.9
145.10118	40.2
147.08038	12.6
147.11694	20.9
149.09607	6.5
149.13257	5.2
153.06961	6.7
154.89633	4.4
155.08575	15.0
155.57703	4.5
156.09341	18.2
157.10126	49.0
158.10849	6.3
159.08046	8.5
159.11702	48.9
161.09659	7.8
161.13274	12.1
165.07063	5.6
167.08548	14.5
168.09372	10.7
169.10139	29.1
170.10927	13.1
171.11664	35.0
172.12531	7.3
173.09636	9.8
173.13281	16.3
175.11148	13.6
179.08569	16.1
180.09375	8.7
181.10103	21.8
182.10889	11.9
183.11636	27.7
184.12384	4.5
185.13255	37.1
187.11159	25.3
187.14810	19.4
189.12848	5.6
192.09343	9.6
193.10086	25.5
194.10934	8.9
195.11688	36.3
196.12512	10.9
197.13242	25.1
199.11157	5.7
199.14816	5.6
201.12869	5.2
203.14450	6.6
205.10216	6.5
205.15974	10.8
206.11011	6.2
207.11703	28.4
208.12497	13.7
209.13324	29.2
210.14059	8.0
211.11115	7.3
211.14827	14.3
213.12695	21.0
219.11816	6.2
221.13301	27.4
222.13966	5.5
223.15025	21.8
225.16330	5.8
232.12366	5.6
233.13304	13.0
234.14030	9.3
235.14816	11.8
236.15675	6.5
237.16356	17.2
238.17151	5.9
239.17982	8.9
247.14844	10.4
248.15666	7.4
249.12756	5.3
249.16460	16.8
250.17078	5.3
251.17976	18.5
263.17950	10.4
264.18921	4.5
265.15887	8.3
265.19565	8.7
267.17438	6.3
269.18839	7.0
273.16217	6.1
277.19452	4.9
281.19098	7.0
291.16858	7.2
291.20010	22.7
299.17804	5.4
317.19135	5.7
347.23566	37.9
365.24689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
53.46630	3.3
55.01848	7.3
55.05514	23.6
57.03421	9.2
57.07068	6.1
59.09216	3.7
59.20950	3.3
59.34058	3.3
60.40243	3.8
65.03941	4.3
65.21371	3.8
67.05508	42.0
69.03427	10.4
69.07063	27.9
71.45231	4.0
79.05492	40.7
81.03400	4.2
81.07050	49.7
83.04976	10.1
83.08602	7.2
85.06533	9.2
91.05471	36.0
93.07047	41.9
95.04970	41.2
95.08597	26.6
96.33057	4.5
97.06507	12.6
97.10186	4.7
105.07022	58.1
106.74862	4.3
107.08589	38.6
109.06548	18.2
109.10150	17.7
113.06042	4.7
115.05458	6.2
117.07018	16.4
119.08578	52.2
121.06480	7.9
121.10135	35.5
123.08015	7.0
125.09624	4.7
127.56093	3.9
128.06195	10.3
129.06972	14.3
130.07808	7.5
131.08577	48.6
133.06529	4.8
133.10152	27.2
135.08026	9.9
135.11681	11.8
141.06976	8.3
142.07799	16.3
143.08565	36.3
144.09294	8.8
145.10112	38.1
147.08066	8.3
147.11679	15.6
149.09619	12.2
149.13237	7.4
155.08496	12.7
156.09294	7.9
157.10144	37.5
158.10907	8.5
159.08066	11.7
159.11664	24.9
161.09595	11.8
161.13223	6.0
163.77956	3.6
165.06932	6.5
167.08554	10.6
167.10721	3.7
168.09293	5.9
169.10130	16.6
170.10921	8.3
171.08061	4.0
171.11658	19.5
173.09631	12.2
173.13252	31.3
175.11203	6.8
179.08539	12.0
180.09317	5.6
181.10066	12.6
182.10876	8.7
183.11658	24.7
185.13232	13.3
187.11107	4.9
191.14288	14.5
192.09348	9.0
193.10167	18.5
194.10912	8.0
195.10138	4.7
195.11673	20.5
196.12370	4.3
197.13278	15.0
199.11124	5.6
199.14844	10.3
201.12726	10.6
203.14435	5.0
205.10008	6.0
206.10904	7.3
207.11674	24.8
208.12416	8.7
209.13275	20.1
210.14059	5.8
211.11246	7.2
211.14792	14.3
213.12724	5.3
217.15822	6.0
219.11636	8.4
220.12411	6.6
221.13246	16.2
223.14835	13.6
225.12891	5.2
225.16310	5.0
227.14264	6.6
230.17807	6.4
233.13109	7.7
234.13913	5.5
235.14728	11.9
237.16382	5.7
241.15939	6.8
247.14682	6.4
248.15668	5.8
249.16345	10.0
251.18123	5.1
253.15744	7.0
255.17226	5.2
261.16409	4.8
263.17914	12.7
264.18912	4.1
265.15915	5.3
267.17386	5.2
269.18896	5.0
273.18457	13.7
281.19101	5.9
291.19867	22.4
293.19217	4.7
347.23715	32.7
365.24817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.7
55.01871	14.2
55.05508	41.3
57.03436	18.3
57.07079	1.9
59.05005	1.2
65.03938	3.1
67.05135	1.2
67.05502	48.1
69.03425	16.1
69.07066	60.5
70.25334	5.3
71.04978	2.3
79.05489	48.4
81.03406	10.4
81.07053	44.2
83.04983	8.7
83.08625	14.8
84.04512	1.7
85.06555	3.0
91.05478	32.5
93.07040	33.1
94.04141	1.7
95.01358	2.2
95.04958	18.9
95.08599	17.7
97.02890	14.4
97.06545	6.9
97.10168	21.1
105.07025	24.7
107.04950	13.8
107.08602	25.2
109.06519	6.4
109.10157	17.2
110.75909	1.4
111.04437	2.9
111.08082	3.9
113.06005	1.4
117.07019	12.7
119.08582	16.4
121.06480	6.5
121.10142	13.1
123.08061	7.0
123.11734	2.8
125.09634	18.1
128.06194	1.8
129.07010	4.8
131.08572	14.3
133.06496	5.1
133.10144	17.0
135.08060	9.5
135.11722	4.2
137.09621	5.0
138.05476	1.5
138.31302	1.5
139.07538	1.6
141.07054	1.5
143.08574	6.2
145.10135	8.9
147.08051	7.1
147.11674	7.0
149.09615	6.2
149.13254	4.4
151.11180	5.9
153.09097	1.8
155.10809	1.5
157.10162	6.1
159.08080	3.4
159.11781	2.7
161.09631	6.4
163.11230	3.3
165.09154	2.9
171.11710	3.4
173.11874	1.6
175.11249	3.9
177.09177	2.0
177.12773	3.1
179.10689	1.4
185.13289	1.7
189.11177	10.0
193.12323	1.7
195.13747	1.7
198.38811	1.4
204.08701	1.5
205.12399	1.7
222.58949	1.7
223.13295	25.2
227.13049	1.5
227.17981	1.4
229.13940	1.4
245.19092	4.4
249.14903	1.5
255.17334	1.9
263.20090	2.6
269.13528	1.7
273.18500	25.9
291.19531	100.0
292.19754	1.8
342.14069	1.5
347.22006	2.3
365.23190	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
53.12880	1.1
53.49042	1.2
55.01870	8.1
55.05509	41.6
57.03434	13.7
64.15675	1.1
65.03935	2.1
67.05503	43.5
69.03430	15.1
69.07068	44.1
69.65021	7.0
69.65434	2.8
71.04996	2.0
79.05494	35.9
79.36973	1.4
81.03408	7.5
81.07056	25.3
83.04968	5.2
83.08622	11.6
85.02921	1.3
85.06516	1.3
91.05477	19.5
93.07040	24.1
95.04980	10.4
95.08607	15.4
97.02889	20.1
97.06518	4.3
97.10175	20.3
98.20724	1.5
102.27631	1.3
103.08170	1.3
105.07025	13.0
107.04940	8.7
107.08597	20.0
109.06515	5.7
109.10162	13.4
111.08075	3.0
115.05510	1.6
117.07019	9.1
119.08591	11.4
121.06516	3.2
121.10149	5.0
123.08057	4.5
125.09646	16.3
128.06303	1.4
129.06996	3.7
131.08557	7.7
133.06470	3.1
133.10150	6.4
135.08046	4.7
135.11714	2.0
137.09595	4.8
143.08569	4.2
144.09444	1.2
145.10130	6.1
147.08052	4.9
147.11688	3.6
149.09634	2.9
149.13210	3.0
157.10136	2.0
159.11714	3.3
161.09674	1.9
163.11171	3.1
165.09096	2.5
171.10292	1.6
171.11745	1.5
175.11185	1.9
175.89832	1.4
177.12794	1.6
188.82048	1.5
189.11270	8.2
195.13808	2.0
205.12231	2.1
223.13295	36.4
224.13644	1.7
245.18944	1.9
255.17455	1.3
263.20190	1.5
273.18469	13.3
291.19547	100.0
292.19870	3.3
365.23224	31.1
366.23581	1.7
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
51.00056	2.5
53.03933	2.7
55.01857	7.2
55.05497	8.4
57.03437	56.0
57.07076	4.0
61.86765	2.1
62.35284	2.2
65.03924	6.3
67.05500	50.8
67.06316	2.7
69.07050	9.4
70.01656	8.1
70.02085	6.7
71.04980	3.7
79.05485	23.1
81.07059	21.3
81.78121	2.0
83.08582	2.5
85.06078	3.0
85.06544	45.3
91.05474	19.1
93.07032	21.9
95.04967	61.5
95.08601	11.9
97.06529	4.1
105.07011	14.0
107.04963	8.3
107.08593	13.3
109.06518	48.1
109.10142	3.8
113.06001	100.0
117.07018	9.3
119.08588	10.2
121.06512	4.3
121.10117	6.9
123.08041	3.8
129.06970	6.5
131.08536	12.3
133.10086	5.2
135.08043	33.0
135.11656	7.2
143.08559	6.3
145.10114	8.6
147.08040	4.6
149.09579	6.4
149.13245	2.5
157.10117	3.0
159.11678	8.4
161.09641	7.6
163.11229	2.9
171.11742	4.1
191.27122	2.3
199.14745	2.8
201.12636	2.4
205.86444	2.7
217.15892	12.8
227.03722	2.5
232.24994	2.6
273.18527	18.5
291.19553	26.3
365.23108	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	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.4
53.03941	5.6
53.90133	2.4
55.01870	20.4
55.05511	22.6
57.03427	24.0
57.27906	2.5
64.68739	2.4
65.03939	3.8
65.60517	2.3
67.05504	50.5
69.03416	5.2
69.07066	10.7
70.26989	11.3
71.04980	7.6
71.58429	2.4
73.25376	1.9
79.05061	4.6
79.05487	55.9
81.03408	5.7
81.07052	100.0
83.04969	32.8
83.08614	12.6
84.04523	2.7
85.02886	9.3
85.06537	9.7
88.71864	2.5
91.05477	35.7
93.07043	42.5
95.04967	24.4
95.08614	18.6
97.06527	7.2
97.10152	7.7
99.04446	8.0
105.03439	2.6
105.07041	25.0
107.04945	8.2
107.08593	25.1
109.06516	42.3
109.10167	15.6
111.04429	37.2
111.08078	10.0
113.05976	13.5
117.07018	16.0
119.08582	37.5
121.06492	11.6
121.10105	17.2
122.99040	2.7
123.08052	14.7
125.09625	8.9
129.06996	5.8
131.08566	15.0
133.06502	5.3
133.10049	12.3
135.08031	15.0
135.11691	9.7
137.09587	4.5
143.08554	5.9
145.10156	20.4
147.08037	18.0
149.09625	10.0
153.12695	9.1
157.10121	4.9
159.08031	3.8
159.11702	5.5
161.09618	10.3
163.11185	17.2
165.09134	9.4
171.11719	3.4
173.09633	3.4
175.11159	2.9
181.12236	14.8
189.11246	5.9
191.10680	6.3
199.11310	3.9
201.72371	2.7
204.20059	2.4
211.30556	2.9
223.13371	5.4
227.12790	2.7
245.19017	5.6
249.14836	7.5
255.17479	3.9
273.18430	38.0
291.16489	4.6
291.19547	54.8
330.17862	2.6
365.22980	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01875	6.6
55.05514	7.0
56.96564	1.1
57.03436	49.1
57.07074	2.5
62.45169	1.0
65.03930	3.9
67.05505	44.8
67.17343	1.1
69.03436	2.0
69.07059	5.0
70.06599	1.6
71.04977	5.7
79.05490	23.8
81.03419	2.9
81.07053	22.0
83.04974	2.6
83.08627	4.0
84.04508	2.8
84.08144	1.2
85.02896	2.5
85.06541	38.3
91.05476	22.7
93.07038	18.9
95.04967	58.3
95.08601	13.0
97.02922	1.2
97.06522	3.7
97.10152	1.5
98.21513	2.7
102.09172	1.2
103.05383	0.9
105.07021	15.1
107.04943	8.4
107.08595	13.5
109.06518	48.7
109.10152	4.3
111.08054	1.6
113.06002	100.0
115.05400	1.5
117.07024	9.2
119.08583	10.3
121.06506	4.1
121.10140	6.0
122.07199	1.6
123.08064	3.1
125.09585	1.1
126.05518	2.3
128.06230	1.4
129.06999	5.9
131.08578	12.6
133.06476	1.7
133.10121	7.4
135.08046	34.2
135.11694	5.9
135.55630	1.0
136.06171	3.7
137.05910	0.9
137.09612	1.2
142.07793	1.5
143.08560	7.0
145.10132	6.4
147.08040	5.3
147.11662	3.9
149.02325	3.6
149.09619	6.5
149.13226	1.6
151.11061	1.1
157.10146	4.9
159.08057	3.0
159.11699	6.4
161.09595	6.5
163.11182	2.9
165.09102	1.3
169.10187	1.2
171.11696	3.7
173.09628	1.1
173.13274	3.4
175.11169	2.9
177.12727	2.1
183.11755	1.7
185.13264	1.6
189.12730	1.5
189.16443	1.0
193.04959	5.8
195.11832	1.3
199.14886	3.7
200.20039	2.8
201.12746	2.8
217.15849	12.2
219.13771	1.1
227.18044	1.4
233.15491	1.3
235.13820	1.9
245.19040	2.6
247.79042	1.1
247.81529	1.1
255.17450	3.4
263.19760	1.1
273.18478	20.8
291.19547	23.3
365.19312	11.7
365.23376	6.8
366.22519	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01871	7.7
55.05510	27.8
57.03439	11.2
58.74266	0.9
65.03944	2.2
67.05506	33.5
69.03089	1.0
69.03431	14.7
69.07067	41.0
69.51279	5.4
69.51710	3.4
71.04989	2.5
79.05495	30.1
81.03413	5.3
81.07059	23.8
83.04980	5.0
83.08621	10.6
85.06549	1.4
85.49812	0.9
87.45322	0.8
91.05474	17.9
93.07040	18.2
94.04194	1.3
95.04971	10.6
95.08595	12.6
97.02897	18.1
97.06527	3.4
97.10162	18.6
98.20769	2.2
105.04530	1.0
105.07026	10.2
107.04961	7.3
107.05594	0.9
107.08596	17.2
109.02879	1.4
109.06518	3.3
109.10157	13.3
111.04459	0.9
111.08060	2.8
117.07038	7.3
119.08577	11.6
121.06478	3.5
121.10117	5.5
123.08071	5.1
123.11711	1.0
125.09630	14.5
126.05526	1.9
129.05463	1.1
129.06976	2.4
131.08585	7.9
133.06493	2.9
133.10161	5.5
135.08032	4.5
135.11687	2.7
137.09589	3.9
143.08551	4.0
143.10716	1.2
145.10146	5.3
147.08044	7.2
147.11665	3.6
149.09602	1.8
149.13252	2.2
151.11156	1.6
157.10139	2.7
159.08099	1.3
159.11647	2.8
161.04147	1.1
161.09630	3.9
163.11159	2.5
165.09084	2.5
169.10155	1.1
171.10159	1.5
171.11559	1.9
173.11690	1.9
175.11223	2.2
177.12740	3.1
183.11932	1.1
185.13417	1.0
189.11241	7.8
189.12756	1.5
193.12273	1.5
195.13800	2.7
199.11253	1.3
202.22934	1.0
205.12306	3.0
208.56973	0.9
223.13289	33.9
227.18063	1.3
245.19078	2.7
263.20129	1.3
273.18527	14.6
291.19543	100.0
292.19907	1.7
321.20450	1.0
347.21841	1.1
365.23169	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63897	1.1
51.73209	1.1
53.03940	4.1
54.38744	1.4
55.01869	10.2
55.05510	36.2
57.03436	17.9
61.02922	2.0
65.03933	3.1
65.41605	1.1
67.05503	47.5
69.03430	16.7
69.07068	53.0
69.55602	3.0
69.56017	7.7
71.04976	2.8
79.05492	47.3
81.03409	8.6
81.07056	44.2
83.04988	9.2
83.08615	12.9
84.04504	3.0
85.02940	1.3
85.06510	2.0
91.05482	27.0
93.07048	29.8
95.01327	1.8
95.04974	14.7
95.08611	19.3
97.02887	16.2
97.06519	5.7
97.10172	18.2
99.08096	2.0
103.05492	1.8
105.07024	20.0
107.04962	12.2
107.08588	20.8
109.06513	15.3
109.10147	11.9
111.04461	2.0
111.08091	3.5
115.05457	3.0
117.07018	11.3
119.08574	18.4
121.06506	5.9
121.10143	9.8
123.04454	2.9
123.08080	5.5
123.11749	1.4
125.09624	13.8
126.05488	2.3
128.06236	2.2
129.07019	6.6
129.43605	1.2
131.08572	11.4
133.06494	4.9
133.10117	9.0
135.08043	9.0
135.11693	5.8
136.06183	1.6
137.09625	5.4
138.05542	2.9
139.11160	1.5
141.06960	2.6
143.08583	7.0
145.06546	2.0
145.10179	9.5
147.08052	8.0
147.11690	5.2
149.09612	4.3
149.13203	2.9
151.11197	2.5
155.08553	1.6
157.10141	6.2
159.08014	2.2
159.11720	4.8
161.09622	5.5
161.13261	1.4
163.11176	3.9
165.09088	3.4
171.10278	1.3
171.11674	3.6
175.11229	4.1
177.12718	3.6
185.13319	2.1
189.11227	7.8
189.12704	2.0
193.12280	7.9
195.13823	3.3
205.12206	2.2
217.16118	1.5
223.13278	34.1
223.29027	1.3
227.17834	2.5
245.19061	2.8
249.14975	2.0
255.17381	2.8
263.20123	1.7
273.10101	1.5
273.18488	23.4
291.19543	100.0
292.19873	3.9
347.22061	2.4
365.19427	1.5
365.23212	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	3.1
53.65881	0.7
55.01869	9.5
55.05510	32.0
55.05751	1.8
56.96520	0.9
57.03437	13.0
57.07042	1.1
58.41490	0.8
59.04959	1.8
61.02890	1.0
62.23445	0.7
65.03898	2.5
67.05502	40.4
67.05833	1.6
69.03426	15.4
69.07065	49.9
69.07408	2.0
69.20083	0.7
69.44042	7.1
71.04921	2.5
71.08579	1.0
72.08127	0.7
72.50995	0.8
78.91729	0.7
79.05489	37.6
81.03415	7.6
81.07054	37.0
83.04990	7.7
83.08616	11.4
83.15959	0.7
83.96133	0.7
84.04500	4.1
85.02875	0.7
85.06470	1.4
91.05479	27.0
93.07043	29.3
95.01249	0.9
95.04962	16.2
95.08601	17.0
96.05315	0.8
97.02887	16.9
97.06525	4.4
97.10168	14.9
103.03926	1.0
103.05412	0.8
105.07027	20.1
107.04955	10.8
107.08588	18.9
109.02824	1.3
109.06520	12.0
109.09496	1.0
109.10149	13.0
110.02365	1.5
111.04371	1.2
111.08075	4.0
113.05957	1.3
115.05410	1.9
117.07014	9.9
119.04906	1.4
119.07817	1.1
119.08573	16.6
121.06457	3.3
121.10139	6.9
123.04372	1.4
123.08057	5.6
123.11623	2.0
125.05962	1.1
125.08773	1.2
125.09621	15.7
126.05447	2.8
128.06163	1.2
129.06989	5.4
130.07716	1.0
131.08546	11.3
133.06435	3.1
133.10129	7.4
135.08044	8.7
135.11676	3.8
136.06148	1.5
137.09618	4.3
138.05457	2.3
138.66127	0.7
141.06999	0.9
143.08569	6.0
145.06418	1.6
145.09242	0.9
145.10124	9.5
147.08037	9.3
147.11652	5.0
149.09644	3.8
149.13268	4.2
151.07515	0.9
151.11098	1.5
153.09061	2.0
155.08450	0.9
157.10126	4.1
159.08009	2.4
159.11670	4.0
161.09573	6.0
163.11142	3.4
165.09105	2.4
169.09918	0.7
171.11613	3.7
173.09612	1.1
173.13187	1.6
175.11150	4.2
175.14865	0.9
177.12695	3.3
179.10649	1.9
181.10011	1.0
183.11598	1.3
185.13246	1.8
187.11125	1.3
189.11183	7.4
193.12271	6.6
195.11847	1.1
195.13773	2.1
199.11205	0.9
201.12634	1.2
203.10724	0.9
204.08627	2.3
205.12193	3.0
223.13289	32.4
227.12787	0.9
227.17931	2.4
237.16280	1.0
245.18996	3.5
249.14923	1.6
255.17441	3.1
263.20047	2.2
270.06161	1.3
273.18494	21.9
291.19531	100.0
292.19943	2.4
347.22177	2.0
364.58188	0.8
365.23239	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01874	8.9
55.05506	12.6
57.03437	63.6
57.07072	3.1
65.03931	4.5
65.33527	1.5
67.05503	51.0
69.03444	2.7
69.07073	10.1
69.37063	16.4
71.04986	6.6
79.05496	30.6
81.03419	4.7
81.07055	25.5
83.04992	3.5
83.08604	4.1
84.04501	2.3
85.06544	46.3
89.91327	1.7
91.05482	34.2
93.07046	28.2
95.04364	3.4
95.04971	61.4
95.08617	16.9
97.06520	5.9
99.08128	2.4
105.07037	20.6
107.04946	10.9
107.08595	20.7
109.06516	59.1
109.10168	4.4
111.08067	2.2
113.06007	100.0
115.05440	2.2
117.07012	13.7
119.08584	14.2
121.06514	7.3
121.10136	8.3
123.08080	6.3
126.05515	1.7
129.07011	6.7
131.08562	19.5
133.06519	4.4
133.10152	8.1
135.08055	35.3
135.11690	5.4
137.09573	1.8
143.08580	8.6
145.06470	2.1
145.10152	11.2
147.08052	4.9
147.11693	3.7
149.09627	6.4
149.13301	4.1
155.08557	2.2
157.10155	9.1
159.08067	3.8
159.11688	8.4
161.09598	10.8
161.13222	2.5
163.11183	4.5
165.09183	2.0
171.11745	3.5
173.13312	3.6
175.11171	3.7
177.12820	2.7
183.11684	2.5
185.13297	3.9
187.14746	1.7
199.14842	6.9
201.12766	1.8
217.15877	19.3
219.13696	3.2
227.17984	2.4
233.15379	2.6
237.16266	2.8
245.19159	3.7
255.17546	3.2
273.18497	32.4
291.19522	28.5
347.22272	2.6
365.19510	2.3
365.23297	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	365.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01870	5.0
55.05506	7.8
57.03426	5.0
59.04984	1.0
61.02917	1.9
63.35997	0.9
67.05508	12.4
69.03416	2.1
69.07054	3.8
70.95805	0.9
71.04993	1.8
71.58768	1.2
73.02895	1.5
79.05062	1.3
79.05494	16.3
81.03397	2.7
81.07056	25.5
83.04972	7.6
83.08600	3.0
84.04503	8.5
84.08125	1.2
84.48324	0.7
85.02902	4.4
85.06532	1.1
86.85618	0.8
91.05481	11.1
93.07040	12.9
95.04977	5.7
95.08600	6.5
96.04523	0.9
97.02911	1.2
97.06530	2.2
97.10159	2.1
98.06020	0.9
99.04440	2.1
105.07030	8.1
107.04942	3.9
107.07987	0.9
107.08577	6.0
109.02850	0.8
109.06534	7.1
109.10149	3.9
111.04436	9.4
111.07371	0.8
111.08067	4.0
113.06038	1.8
117.06997	4.2
119.08591	9.7
119.37635	0.8
121.06476	2.8
121.10143	4.5
123.08049	3.0
125.09622	2.2
125.53051	0.9
126.05517	7.9
127.03957	1.0
129.06993	3.0
131.08551	6.2
133.06483	0.9
133.10114	3.1
135.08026	4.4
135.11673	2.9
137.09576	1.4
138.05534	4.0
138.48067	0.8
141.07040	0.9
143.08527	2.8
145.10095	4.8
146.18748	1.0
147.04439	1.0
147.08031	5.7
147.11713	2.1
149.02332	1.3
149.09573	3.7
149.13263	1.0
153.12721	2.3
157.10132	1.7
159.08064	1.6
159.11752	2.2
161.09633	2.9
163.11240	4.7
165.09143	1.7
171.11761	0.9
173.09659	1.5
175.11183	1.5
177.12714	1.2
181.12250	3.5
189.11230	1.1
191.10701	2.0
193.04953	1.5
199.14920	1.4
200.20110	1.3
204.08638	4.8
206.66969	0.9
215.33751	1.0
223.13316	1.0
227.12758	1.6
235.47186	0.8
237.16573	1.0
249.14871	1.2
273.18420	11.3
277.14078	9.3
291.19586	11.0
329.17282	1.9
347.18555	1.3
365.19330	100.0
365.22763	4.5
366.19437	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	8.5
55.01862	14.1
55.05513	19.5
57.03417	4.4
57.07026	3.3
57.87662	3.6
59.54973	3.5
60.04523	6.3
61.02915	6.5
65.03933	6.6
67.05489	16.2
68.99773	15.9
69.03427	74.3
69.07063	19.0
70.01170	20.4
70.06579	11.6
71.04993	21.0
72.08158	5.6
73.02896	4.0
79.05493	33.9
81.03408	27.9
81.07040	22.2
83.01336	11.8
83.04964	14.2
83.08618	5.3
84.08125	11.5
85.02899	25.1
86.09684	10.9
87.00818	24.5
91.05478	63.1
93.03413	4.4
93.07037	41.8
95.01286	4.5
95.04959	22.4
95.08595	14.5
97.02887	44.9
97.06513	8.7
98.20834	4.7
98.21382	8.2
99.04469	4.3
99.08106	6.0
101.02379	3.6
102.05510	3.9
103.05433	9.7
105.03388	4.6
105.06381	6.0
105.07031	66.4
107.04945	42.3
107.08601	43.1
109.02885	9.3
109.06499	15.0
109.10139	20.3
111.04417	11.1
115.03923	15.6
115.05466	7.7
117.01833	5.8
117.07014	34.4
118.98652	4.0
119.03511	4.1
119.04935	19.1
119.08576	42.0
121.06491	31.6
121.10126	24.1
122.06048	4.0
123.04417	13.2
123.08058	15.3
123.11690	5.9
125.05972	6.7
125.09693	5.2
127.03891	4.5
128.06200	10.4
129.01767	5.3
129.06984	14.2
129.10226	4.4
130.07785	9.9
131.04912	6.5
131.08594	30.9
133.06487	16.8
133.10118	23.4
134.07262	4.6
135.04411	25.4
135.08064	30.3
135.11685	15.7
136.06155	15.5
137.05971	11.1
137.09607	10.7
139.03922	5.4
141.06966	6.2
142.07765	6.1
143.08557	17.4
144.09293	6.4
145.06465	27.9
145.07465	4.0
145.10132	39.6
146.07280	3.6
147.04419	25.5
147.08049	27.1
147.11705	22.8
147.85562	3.8
148.04752	14.5
148.07591	5.4
149.04985	8.9
149.06053	8.7
149.09630	9.2
151.11168	7.1
153.07039	4.7
153.09108	11.5
155.08577	15.3
156.09331	4.5
157.06467	5.7
157.10107	15.4
158.07187	8.2
159.02892	8.4
159.08009	20.6
159.11665	21.7
161.05948	9.0
161.09579	12.2
161.13303	10.1
163.07549	34.5
163.11172	15.0
165.12753	6.9
167.08542	6.2
169.10100	5.6
171.08022	14.9
171.11685	11.3
172.08687	5.4
173.09641	37.0
173.13274	7.4
175.07462	13.3
175.11154	26.6
176.07104	5.1
177.09157	6.9
177.12770	24.9
179.10628	5.8
182.10954	9.1
183.08043	6.6
183.11790	4.9
185.04137	3.7
185.09512	5.8
187.07545	6.1
187.11153	22.8
189.09082	11.1
189.12726	19.7
191.07048	9.5
191.10658	15.5
193.12180	7.1
197.13235	10.8
199.05951	4.3
199.11055	4.7
201.12787	13.4
203.03206	4.6
203.08121	9.8
205.08646	5.7
205.12228	31.8
215.14352	18.8
217.09824	8.6
217.12146	8.2
218.12968	4.2
219.13789	11.3
225.12669	14.7
227.08168	7.3
228.06380	4.2
233.15356	15.6
243.13770	62.4
245.09172	13.8
261.14828	100.0
263.10263	13.4
279.15845	12.3
287.10214	12.3
303.15833	9.2
305.11319	45.6
317.95300	4.6
321.17160	8.5
323.12238	18.7
333.10663	5.9
347.14929	32.8
347.18457	6.3
365.12357	9.2
365.15918	27.5
365.20355	5.5
378.98227	4.1
387.02194	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	365.1596
Annotation	7-Epi-Zeaenol
Peak:m/z	Relative Intensity
51.02369	0.7
53.03935	1.7
55.01865	5.3
55.05512	6.7
56.96568	6.0
57.03431	2.4
65.03941	3.9
67.05499	8.2
68.99792	0.9
69.03423	1.8
69.07073	4.5
70.57418	2.0
71.01359	1.0
71.04974	2.7
72.96830	0.6
74.61501	0.5
79.05061	1.0
79.05492	12.9
80.02675	0.6
81.03419	2.4
81.07056	8.7
83.04976	1.7
83.08610	2.5
84.04452	0.7
84.08154	0.7
84.96029	1.6
85.02903	1.9
85.06561	0.8
86.09713	1.0
91.05479	20.6
93.03401	2.8
93.07025	8.4
95.04968	10.5
95.08606	5.2
97.02881	2.0
97.06551	3.2
98.97584	2.8
103.05453	4.1
104.06239	0.7
105.03392	8.5
105.06384	1.1
105.07030	12.6
107.04964	5.4
107.08577	3.1
109.02876	0.7
109.06530	4.3
109.10135	1.4
110.97587	1.2
111.04430	1.5
111.08083	1.1
115.05453	2.9
116.32591	0.6
116.98617	2.8
117.03368	0.7
117.07024	8.6
119.04942	7.3
119.08569	5.2
120.05714	0.6
121.02875	1.5
121.06528	3.9
121.10159	2.5
123.04430	6.3
123.08085	1.5
125.02324	0.9
128.06216	2.5
128.98643	1.4
129.06999	5.3
131.04913	4.7
131.08591	6.5
133.02858	4.9
133.06520	3.1
133.10143	3.2
134.99673	2.1
135.04436	3.2
135.08052	2.7
135.11665	1.3
135.53481	0.6
136.06180	1.2
137.02338	0.9
137.05977	3.3
137.09598	0.8
139.03928	0.7
141.06984	3.9
142.07774	1.1
143.08556	4.3
145.02837	1.5
145.06491	4.3
145.10126	6.1
146.99649	2.1
147.04427	3.2
147.08067	2.4
147.11691	2.3
149.02310	0.7
149.05989	2.6
149.09641	1.8
151.03899	5.1
151.07549	0.8
152.05750	0.8
153.05513	0.7
153.07056	1.3
154.07814	1.5
155.08565	2.0
157.06506	1.4
157.10068	3.2
159.04405	3.0
159.08070	2.3
159.11661	3.1
161.01227	1.1
161.05984	2.2
161.09610	1.6
163.03888	3.7
163.07494	1.2
164.04694	1.0
165.05463	3.4
167.03427	1.2
167.08583	1.0
169.10103	3.9
171.04361	0.8
171.08064	1.9
171.11664	1.6
173.05983	4.1
173.09618	1.6
174.06789	3.4
175.03940	2.0
175.07578	1.4
175.11180	1.4
177.05498	4.0
179.03430	0.8
179.08609	1.3
180.44609	0.6
181.04967	1.3
183.07976	0.8
185.09686	1.0
187.07538	2.4
187.11182	5.4
189.05435	3.8
189.12769	0.9
191.03442	0.8
191.07018	2.9
193.04979	1.2
193.12149	0.8
195.03363	0.7
197.09633	2.2
199.07623	0.9
199.11201	1.6
201.09065	0.9
203.03503	0.8
203.05289	0.8
203.07014	0.9
205.05025	1.0
205.12291	1.1
209.04385	0.8
213.04402	2.3
213.09206	1.0
213.12675	0.8
215.03453	0.7
215.10652	4.4
217.04938	1.3
217.12212	1.2
218.11823	1.2
219.01987	1.0
219.06480	1.3
223.05936	1.0
225.09134	1.9
229.12376	0.8
231.10243	0.7
233.11742	5.4
237.02873	3.8
239.02354	3.3
241.12222	1.2
243.10199	1.7
257.03323	2.3
259.13235	1.4
261.11237	3.9
265.14322	1.3
269.11722	3.4
273.18353	2.9
275.12808	3.1
279.10175	0.7
287.12750	8.7
288.13501	2.5
297.11151	1.9
301.14334	2.2
305.13828	4.1
315.12253	10.9
319.15369	1.9
329.13892	1.2
333.13303	1.5
347.14957	4.4
365.06119	6.4
365.15939	100.0
366.16275	2.2
383.06445	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1594
Annotation	7-Epi-Zeaenol
Peak:m/z	Relative Intensity
53.03932	2.1
55.01876	5.0
55.05512	6.0
56.37077	0.5
57.03434	2.7
58.33589	0.5
59.04986	0.6
61.02924	0.9
65.03930	4.3
67.05179	0.9
67.05503	11.1
68.99746	0.5
69.03410	1.9
69.07059	5.0
70.06569	0.6
71.01357	1.3
71.04990	2.7
71.58060	0.5
71.58488	0.6
72.08124	0.6
77.03912	0.7
79.05492	13.8
80.02637	0.5
81.03416	2.5
81.06582	1.0
81.07051	13.7
83.04961	2.1
83.08608	3.1
84.04482	1.5
84.08103	0.9
85.02887	1.3
85.06529	1.1
87.04460	0.8
89.03891	0.6
91.02150	0.5
91.05479	21.3
93.03426	2.6
93.03898	0.6
93.07038	9.9
95.04363	0.7
95.04961	11.5
95.08607	7.3
97.02869	1.1
97.06519	4.0
97.10149	0.9
103.05485	4.1
105.03390	8.3
105.04492	1.0
105.07030	13.0
106.07323	0.6
107.04955	5.5
107.08601	5.8
109.02871	1.5
109.06518	4.4
109.10126	4.3
111.04430	1.4
111.08083	0.7
113.05977	0.7
115.05455	2.9
116.06239	0.6
117.07020	7.8
118.06517	0.8
119.01649	6.0
119.04948	5.2
119.08577	6.4
120.08096	0.7
121.02837	1.6
121.06522	3.7
121.10125	3.1
123.04421	6.3
123.08076	2.6
123.11679	1.1
125.02325	0.8
125.09619	1.0
126.05511	1.0
128.06209	2.3
129.06996	6.3
131.04910	3.6
131.08562	7.0
133.02859	3.7
133.06491	4.1
133.10152	4.3
134.03656	0.6
135.04381	3.4
135.08058	3.4
135.11644	1.3
136.06152	0.6
137.02310	1.0
137.04958	0.5
137.05911	2.8
137.09602	0.8
139.07495	0.7
141.01837	0.5
141.06979	3.6
142.07726	0.6
143.03442	0.6
143.08568	3.7
145.02858	1.0
145.06465	4.5
145.10112	6.7
147.04401	3.2
147.08028	2.6
147.11670	4.0
149.02330	1.2
149.05954	2.3
149.09593	1.9
149.13208	0.8
151.03886	4.4
151.07576	0.7
153.06906	0.8
154.07712	1.1
155.08521	2.1
157.06477	1.3
157.08984	0.5
157.10112	3.8
159.04356	1.6
159.08002	1.7
159.11671	5.3
161.05988	2.7
161.09598	1.8
161.13234	1.0
163.03893	2.1
163.07550	0.8
163.11136	1.2
164.04590	1.0
165.05545	3.3
166.07916	0.5
167.03398	1.4
167.08572	1.1
169.10112	3.5
171.04395	0.7
171.08089	2.4
171.11681	1.7
173.05984	4.5
173.09572	1.4
173.13268	1.4
174.06749	3.9
175.03891	2.6
175.07556	0.9
175.11140	1.9
176.14345	7.1
177.05478	4.0
177.12753	0.5
179.03375	0.9
179.06934	0.6
181.04921	0.8
181.10094	0.7
185.04350	0.7
185.05902	0.8
185.09529	1.0
185.13263	0.5
186.10344	0.5
187.03877	0.6
187.07500	1.6
187.11148	4.7
189.05447	3.5
189.12743	1.4
191.03471	1.2
191.07014	2.6
193.04961	1.0
197.09605	2.2
199.07512	0.8
199.11198	1.0
201.05566	0.6
201.12596	0.6
203.03413	0.6
203.05273	1.0
203.07021	1.0
204.08652	0.6
205.04935	1.7
205.12262	0.9
209.04387	1.1
213.09036	0.6
213.12691	0.8
215.10616	4.9
217.04936	0.8
217.12233	1.3
217.15956	0.7
219.06421	0.6
223.05978	1.0
225.09052	1.6
227.17986	0.7
233.11714	5.1
241.12273	1.2
243.10185	2.1
245.11737	0.8
245.19087	0.6
247.13243	1.1
251.10640	0.7
255.17403	0.6
257.11667	0.7
259.13239	1.6
261.11264	3.6
265.14310	1.5
269.11789	3.2
273.18475	4.4
275.12830	2.5
287.12823	6.1
288.13638	2.6
291.19473	1.5
293.13736	0.7
297.11148	1.5
301.10156	0.6
301.14078	0.6
305.13937	3.7
315.12241	9.1
319.15466	1.7
329.13895	0.7
333.13306	1.9
335.14322	0.7
347.14899	4.2
347.25766	0.9
365.06229	8.8
365.15851	100.0
365.19281	5.9
366.16376	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	365.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
55.01868	20.0
55.05503	18.6
57.03437	4.3
61.02906	4.9
65.03925	5.5
67.05505	20.3
68.99783	11.5
69.03428	100.0
69.07060	12.7
69.26844	31.8
71.04991	29.3
73.02901	5.2
79.05489	30.2
81.03414	33.1
81.07064	22.8
83.01343	9.9
83.04974	6.6
83.08620	4.0
85.02895	20.0
87.00832	21.7
88.60490	3.4
89.44669	2.8
91.03957	3.8
91.05472	49.4
93.03397	4.8
93.07040	48.2
95.01319	5.9
95.04967	22.6
95.08602	13.5
97.02895	35.6
97.06520	4.3
99.04459	4.6
99.08098	5.2
103.05450	4.4
105.07023	71.5
107.04943	32.8
107.08594	37.1
109.02860	4.9
109.06509	12.9
109.10168	16.5
111.04428	7.4
115.03922	13.3
115.05459	11.7
117.07018	27.0
119.04948	11.8
119.08566	38.1
121.02856	4.8
121.06496	25.6
121.10137	20.0
123.04424	8.8
123.08054	11.4
123.11761	6.1
125.05989	4.2
125.09619	4.3
127.03952	3.9
128.06201	12.8
129.01836	3.5
129.07002	16.1
130.07780	6.3
131.04872	4.1
131.08578	31.1
132.05710	2.8
133.06497	14.8
133.10115	22.8
135.04399	19.1
135.08055	24.4
135.11690	11.9
136.06163	27.3
137.05981	10.4
137.09636	7.9
139.07585	3.5
141.05476	2.7
141.06981	4.8
142.07782	5.4
143.08565	18.7
144.09308	6.6
145.04898	3.3
145.06476	14.7
145.10129	38.0
147.08044	21.2
147.11644	14.4
149.05992	9.4
149.09621	17.9
151.07596	5.1
151.11163	10.5
152.05670	7.8
152.27354	2.9
153.09056	6.6
155.08533	10.9
156.09311	9.0
157.06474	4.9
157.10078	9.6
158.07230	5.6
159.02896	10.3
159.08017	19.3
159.11655	21.6
160.08788	5.9
161.09631	11.8
161.13316	6.0
163.07542	21.5
163.11188	11.6
165.12767	10.8
167.08577	3.9
169.10168	4.8
171.08034	13.4
171.11678	8.3
172.08740	5.1
173.06012	4.0
173.09595	31.4
173.13240	9.1
175.07576	16.4
175.11183	26.5
177.09132	9.0
177.12766	26.9
179.10684	6.1
183.08069	4.5
183.11713	4.7
185.09610	5.9
187.07629	5.3
187.11163	16.3
189.09106	13.5
189.12712	14.2
191.07001	5.6
191.10672	14.3
193.12177	8.5
197.13214	7.2
199.11143	4.8
200.12032	5.1
201.03940	3.9
201.09122	7.2
201.12764	12.0
203.10579	4.0
205.12256	34.6
207.13802	3.5
213.12646	3.8
215.14348	16.5
217.12233	7.0
219.13823	8.1
225.12718	6.6
231.13805	4.8
233.15350	23.6
243.13782	54.6
261.14865	81.9
279.15939	8.9
303.15912	6.4
321.17068	15.3
335.83667	3.0
343.01569	3.9
347.15024	25.8
361.02356	13.1
365.15979	57.7
365.19891	4.1
366.21359	7.5
379.03360	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	365.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
55.05500	1.4
56.23930	1.3
56.76043	1.2
57.03422	1.3
60.90575	1.2
67.05511	1.8
69.07066	2.0
69.25381	3.6
69.25787	11.1
70.06571	6.2
72.08148	5.5
79.05485	1.6
81.03394	1.6
81.07034	1.8
84.04495	5.7
84.08159	5.8
86.09690	8.9
91.05465	3.4
95.04959	2.7
96.04469	1.4
98.21576	2.2
105.07026	2.8
107.08598	1.5
107.64165	1.1
119.04956	2.0
119.08543	1.7
120.04425	1.6
120.08089	7.5
121.08443	2.1
122.06020	2.6
123.04424	1.8
133.06358	1.4
136.06192	4.6
136.07498	1.8
137.05865	1.9
138.05504	1.6
140.07072	3.4
141.05547	1.7
144.08076	1.4
147.04433	5.5
147.08055	2.0
148.03810	1.3
148.07552	6.5
160.07649	1.5
161.05960	1.4
161.07138	1.4
161.10762	2.1
166.04941	6.2
167.07100	1.9
168.06645	1.9
170.09593	1.8
171.09225	3.1
172.07622	3.7
174.09155	3.3
175.08670	7.8
176.07083	11.0
185.07114	2.7
185.10715	1.5
186.09265	1.9
189.10168	5.9
190.08658	3.8
196.07654	2.2
198.09167	1.4
199.08691	10.8
200.07076	6.9
201.10292	1.4
202.08766	2.6
203.05215	1.4
203.08147	21.2
204.06429	1.7
207.11221	1.3
213.10240	5.3
214.08669	3.9
215.11829	1.6
217.09775	19.2
218.08080	2.4
218.73070	1.2
224.07074	2.0
227.08148	18.0
228.06609	4.0
228.08792	1.8
229.09787	2.6
231.07574	2.4
231.11227	2.3
235.10780	5.9
241.09726	10.1
242.08182	5.2
244.09836	1.7
245.09218	56.8
246.07474	2.8
246.09775	3.0
247.10831	3.7
251.59105	1.2
259.10727	14.3
263.10263	29.3
264.61282	1.2
269.09216	6.1
270.07706	1.9
271.10611	1.4
272.09067	2.6
273.08664	3.9
276.03137	1.3
287.10275	22.0
289.11823	2.8
291.09729	11.1
297.08438	2.1
305.11292	100.0
306.11722	5.5
315.09766	5.4
323.12347	37.4
333.10803	20.7
334.11176	2.1
347.12408	1.8
365.13455	80.9
365.20148	2.2
366.13693	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	365.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
55.05503	2.6
56.96557	1.1
57.03429	1.4
59.73740	0.9
60.04534	2.6
60.44257	0.9
66.07323	0.9
66.79691	1.2
67.05500	2.6
69.03426	1.6
69.07076	1.5
70.06583	5.0
72.08160	9.8
73.08483	1.4
79.05497	2.2
80.87363	1.1
81.07045	2.1
81.07880	0.9
83.04974	2.6
84.04515	2.1
84.08127	2.9
85.02896	2.4
86.09702	4.5
91.05470	4.8
91.06557	1.1
93.07018	3.0
93.86926	1.0
95.04938	2.5
96.04491	1.9
98.06019	1.6
98.21465	2.3
100.07633	1.1
105.07007	1.4
107.04963	1.8
119.04923	2.4
119.08627	2.5
120.04429	1.4
120.08109	3.4
121.06533	2.1
122.06021	3.5
124.03979	1.2
124.07626	1.7
130.06494	1.4
133.06319	1.2
133.10139	1.6
133.41324	1.0
134.06087	1.3
136.06204	5.1
137.05931	1.8
138.05507	2.9
140.07086	2.4
147.04422	3.8
147.08049	1.6
148.03819	1.9
148.04846	2.0
148.07550	6.8
154.20900	1.1
155.55289	1.0
161.05945	1.9
161.07109	1.9
166.05014	4.7
168.06613	2.4
171.09160	3.7
171.14973	1.5
172.07581	3.1
174.09122	3.6
175.07431	1.7
175.08676	8.8
176.07074	9.3
184.07584	1.9
185.07079	2.6
185.10876	1.4
189.10281	3.6
190.08659	2.0
196.07581	3.0
198.07658	2.0
199.08696	11.0
200.07085	5.6
202.08670	3.4
203.08194	23.3
204.06627	1.2
207.11307	1.2
213.10228	5.9
214.08673	4.7
215.11981	1.3
216.10179	2.0
217.06416	1.5
217.08101	1.3
217.09796	21.3
218.08157	1.2
223.08698	1.4
224.07092	1.8
227.08215	17.6
228.06490	3.5
228.08876	3.1
229.09714	2.0
231.07732	2.0
231.11281	2.7
235.07228	1.7
235.10751	3.7
241.09781	17.9
242.08188	5.4
244.09697	2.6
245.09235	60.9
246.07594	1.8
247.10925	1.7
250.07047	2.5
251.08197	1.2
259.10779	14.1
263.10272	31.7
269.09232	5.8
269.34409	1.1
269.41595	1.1
270.07452	1.6
273.08685	4.8
287.10281	29.8
291.09744	8.9
297.08554	1.4
305.11319	100.0
306.11575	2.8
315.09747	7.4
323.12387	31.2
323.16211	1.6
333.10806	28.3
347.12570	2.4
365.13422	86.1
365.20313	4.6
366.13773	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02811	0.8
61.33712	0.8
71.22592	2.0
97.27886	0.8
119.01911	2.2
161.03004	0.9
165.32198	0.9
168.44901	0.8
173.02982	1.0
185.04224	28.0
197.03001	1.3
203.05280	59.7
206.05264	1.0
215.03986	1.3
245.05115	2.4
263.06082	1.7
365.10568	100.0
366.10825	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84879	0.5
70.85224	1.0
81.64006	0.4
84.90762	0.4
116.98012	0.5
119.01902	1.2
161.02899	0.8
173.02975	0.8
185.04219	31.8
203.05264	62.0
220.54483	0.4
221.06248	0.5
245.05064	1.4
263.06003	0.6
365.10593	100.0
366.11096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.5
68.86715	0.7
70.06575	0.8
70.21455	2.4
70.21861	1.1
84.08117	1.2
85.02902	2.1
91.02583	0.7
98.21424	1.3
98.97559	4.1
116.98647	1.8
119.01909	3.9
131.01898	1.3
134.99675	1.0
142.96564	0.9
143.01897	1.1
145.03477	1.4
146.99696	1.1
155.01926	1.8
157.03523	0.8
161.02997	2.6
163.71834	0.7
171.05080	0.9
173.02885	1.7
177.00700	0.8
184.97458	0.8
185.02921	2.5
185.04242	28.2
188.97145	1.3
197.02953	1.9
203.05278	64.4
215.03917	1.1
230.98123	1.9
237.33693	0.8
245.05098	7.8
251.54633	0.8
263.00818	1.2
263.06207	1.1
291.81982	0.8
298.53009	1.1
365.10559	100.0
366.10904	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	364.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.3
55.05520	0.8
57.03427	0.4
60.04519	0.4
65.15260	0.2
67.05495	0.8
68.71248	0.1
69.03424	0.2
69.07069	0.4
70.06569	0.3
72.08148	0.2
79.05479	0.7
81.02988	0.3
81.03420	3.9
81.07065	1.1
82.03741	0.4
83.04958	0.5
83.08608	0.7
85.02920	1.1
86.09674	0.2
91.05476	1.5
93.07042	0.8
94.04057	0.6
95.04956	1.1
95.08627	0.6
97.02893	0.3
97.06494	0.3
105.07034	0.8
107.04936	0.3
107.08598	0.3
109.06440	0.2
111.08064	0.4
119.03584	1.1
119.08575	0.7
121.10130	0.5
129.06999	0.5
131.08543	0.4
133.06458	0.4
133.10139	0.5
136.06178	100.0
137.04599	1.5
137.06648	0.9
139.03951	0.2
147.04451	0.3
147.11681	0.7
149.09673	0.2
157.10098	0.6
162.06256	0.2
175.11205	0.5
193.12262	1.7
211.13271	2.4
250.02100	0.2
290.14697	0.2
310.87137	0.2
332.13995	0.2
346.15521	0.1
346.18698	4.5
364.19757	24.8
365.20062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
57.03436	0.3
62.17325	0.2
67.05503	0.9
67.79612	0.2
69.03436	0.2
69.07086	0.2
69.36421	1.4
79.05492	1.0
81.03415	3.7
81.07049	0.8
83.04973	0.6
83.08616	0.7
85.02885	0.6
91.04918	0.3
91.05481	1.3
93.07047	0.7
94.04076	0.6
95.04961	1.3
95.08616	0.3
97.06548	0.2
105.07040	0.8
105.21199	0.2
107.05004	0.2
107.08636	0.3
108.72230	0.2
109.05105	0.2
109.06498	0.2
111.08088	0.4
119.03561	1.3
119.08589	0.7
121.10147	0.3
129.07008	0.5
131.08534	0.5
133.06479	0.3
133.10109	0.3
136.06183	100.0
136.25456	0.2
137.04623	1.6
137.06526	0.8
147.08047	0.3
147.11694	0.6
149.09647	0.3
152.05669	2.0
153.04097	0.3
154.07240	0.3
157.10130	0.4
174.07790	1.1
175.11197	0.5
193.12244	1.6
201.70129	0.2
209.94205	0.2
211.13286	2.5
282.78415	0.2
310.16504	0.3
328.17737	0.7
346.18665	1.9
364.19775	25.3
365.20285	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68528	1.4
55.05507	9.6
56.05015	2.2
59.04859	2.1
60.04509	7.6
60.05648	10.0
62.82695	1.5
63.21785	1.6
67.05517	2.4
69.07078	1.9
69.20180	1.6
70.06590	16.1
71.16936	4.1
72.08153	47.2
73.06418	3.2
79.05508	3.9
81.03405	4.6
81.07066	2.4
84.04498	3.6
84.08139	4.2
86.07187	15.6
86.09704	4.2
87.07970	12.7
93.07030	3.0
97.07655	13.4
98.06046	20.7
100.07636	1.8
100.08739	4.0
103.68550	1.6
105.07040	2.4
110.07160	2.2
112.08693	1.9
114.10291	35.4
115.08702	11.6
116.07123	1.7
117.03345	2.9
119.04967	4.1
119.06923	2.3
120.08100	2.2
128.04985	3.0
130.04974	1.9
131.04906	6.3
131.12930	14.4
134.03630	2.8
136.06177	12.9
137.05962	4.7
145.02805	12.1
147.04424	7.1
148.04797	2.8
153.10181	3.2
156.04439	6.7
157.10851	28.3
158.11533	1.8
159.04462	2.3
161.05952	5.6
162.03171	2.7
163.03947	2.8
163.07532	2.9
174.05505	3.7
175.03874	4.8
176.04654	7.8
176.06967	2.7
177.05470	41.0
178.08604	1.6
184.03952	13.1
188.07086	4.8
190.08574	4.1
191.07024	4.4
192.06548	10.6
202.05029	7.2
206.08124	2.6
208.09601	2.3
212.15121	3.0
216.06563	37.3
217.06776	2.2
234.07671	3.0
234.13510	8.8
246.11229	2.0
247.14529	2.1
248.12921	3.0
286.15482	4.3
287.13898	7.0
288.13480	3.8
290.14841	3.6
292.15286	6.6
293.15775	2.1
305.15967	7.8
306.16840	10.1
307.17612	30.2
309.15683	2.1
324.17853	7.3
329.16190	3.6
332.17206	5.2
346.18661	16.9
346.25607	2.7
347.16898	3.4
364.19769	100.0
365.19861	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	364.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.7
60.05630	9.4
64.52817	2.1
66.42346	2.1
69.32481	2.1
70.06581	8.4
70.10890	7.5
70.11302	3.5
72.08153	40.1
73.06415	3.8
76.77267	2.3
86.07207	12.2
87.07968	10.9
97.07642	9.2
98.06071	15.0
100.08746	3.9
112.07610	2.2
112.08705	2.1
114.10284	45.9
115.08694	7.0
128.04974	3.7
131.04951	4.3
131.12927	18.9
133.87761	1.9
145.02869	4.4
147.04398	6.3
148.05244	2.9
156.04449	5.1
157.10840	24.8
161.06035	4.6
163.07550	2.9
173.04712	3.1
174.05505	4.8
175.03899	5.9
176.04686	8.5
177.04128	2.9
177.05502	13.8
184.03928	15.3
188.07112	5.0
190.08601	3.2
192.06557	13.7
202.05045	8.5
212.15056	3.8
216.06555	49.8
216.08507	4.1
234.07631	4.1
246.11137	2.9
286.15652	4.6
287.13910	8.6
288.13412	5.8
290.15085	2.9
292.15198	2.6
305.15939	14.5
306.16797	18.7
307.17581	17.5
324.18024	7.0
329.15744	5.4
332.17270	7.1
346.18777	18.4
347.17023	4.2
364.19778	100.0
364.24323	5.0
365.20062	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	363.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02478	1.4
53.47783	1.1
53.74236	1.2
55.05499	4.8
56.36060	1.2
57.07054	5.3
58.70904	1.2
66.28315	1.3
67.05487	4.6
69.07054	5.2
69.84959	3.5
69.85374	4.1
71.08613	4.1
74.16058	1.4
79.05484	5.1
81.07056	9.5
85.06523	3.9
91.05470	3.7
93.07028	3.0
95.08609	9.7
97.10174	2.0
99.08085	2.5
105.07021	2.7
107.08599	3.1
109.06516	22.2
119.08540	2.7
121.10172	3.0
122.07304	2.6
122.13828	1.2
123.08063	31.9
133.10168	1.9
135.08044	4.5
137.09576	2.2
147.11691	2.5
147.77191	1.2
151.85825	1.5
165.12762	2.4
167.76114	1.4
179.14313	100.0
180.14697	1.5
193.15860	4.0
231.94481	1.3
331.26282	6.8
363.28940	86.0
364.29169	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	363.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01873	3.3
55.05510	24.8
57.03435	7.0
65.03931	1.6
67.05502	18.5
69.03418	1.8
69.07069	5.1
70.50759	2.5
71.04993	1.4
79.05492	18.7
81.07054	14.4
83.04966	2.2
83.08612	9.4
85.02899	0.8
85.06583	1.0
91.04902	0.8
91.05476	17.0
93.07040	11.4
95.04951	2.0
95.08601	3.9
97.06521	1.2
97.10174	17.5
97.83439	0.6
98.20858	0.7
103.05447	1.2
104.06256	1.2
105.07026	5.7
107.04935	1.0
107.08591	10.1
109.06489	1.3
109.10168	4.4
111.08070	2.3
113.00004	4.6
115.05459	1.9
116.06216	1.1
117.07021	13.5
119.08577	100.0
120.08941	2.0
121.10146	4.2
123.08070	2.0
125.09619	15.5
128.06235	1.8
129.05490	1.5
129.07013	4.7
131.08585	4.2
133.06454	4.6
133.10101	2.9
135.08044	13.9
137.09586	1.4
137.96713	0.6
141.06995	0.9
143.06972	0.7
143.08586	2.8
144.05690	2.9
145.06476	1.6
145.10112	8.3
147.04408	0.8
147.08038	11.4
147.11720	0.7
149.05879	0.8
149.09550	0.9
149.13141	0.7
151.11214	0.7
153.09081	1.6
154.07716	0.6
155.08557	1.5
157.06502	0.8
157.10100	8.4
159.08051	50.4
159.11685	4.2
160.08412	1.4
161.09619	2.2
163.07458	0.8
169.02614	4.1
169.10103	6.8
171.10155	1.4
171.11684	1.4
173.09615	8.4
173.13350	1.0
174.94595	0.6
175.07526	1.8
175.11180	1.1
177.48328	0.6
183.11731	1.7
185.09677	1.7
185.13193	0.6
187.11246	1.0
189.11217	12.4
189.12917	0.8
197.13293	0.9
206.10991	0.8
207.11775	1.3
209.13295	1.3
211.11166	1.0
225.12796	0.8
225.16354	4.6
235.14754	2.8
243.17398	1.2
251.17039	0.7
253.15837	6.8
261.33347	0.7
271.16949	13.6
271.20035	0.9
289.17932	6.1
345.20511	1.4
363.21585	18.1
363.25510	2.5
364.22034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2143
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
55.05500	1.9
55.46007	0.8
57.03442	1.1
63.42865	0.9
65.60719	0.7
67.05487	2.1
69.07048	1.5
70.06688	3.9
79.05497	3.0
81.03430	1.0
81.07059	9.2
83.04953	1.3
83.08597	1.0
88.07610	0.8
91.05457	2.1
93.07051	2.4
94.87659	0.7
95.04942	1.9
95.08641	1.8
96.14764	0.8
98.21509	0.9
105.07011	2.4
107.08600	1.7
109.10105	1.0
111.04374	0.8
113.00011	2.5
117.06989	1.3
119.08585	1.7
121.10155	1.6
131.08582	1.7
132.04492	1.1
133.10152	2.0
135.11702	1.4
146.05981	2.8
149.09563	0.9
155.08676	0.9
157.10098	1.1
169.02606	2.4
174.09100	5.9
177.12776	1.7
187.11134	1.0
192.10219	1.4
205.12286	1.7
218.11789	2.0
258.11234	1.2
285.18674	1.2
293.13614	1.9
301.29358	1.9
302.13782	1.5
363.21417	100.0
363.32941	8.3
364.21591	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53310	0.6
53.03943	1.4
55.01861	3.9
55.05509	26.8
57.03436	8.4
57.07059	0.6
59.02414	0.5
59.04998	0.5
65.03931	0.9
67.05504	18.6
69.03416	3.3
69.07067	4.8
71.04974	1.2
71.58453	0.5
75.47737	0.5
79.05491	23.7
81.07053	15.4
83.04962	3.3
83.08614	10.1
85.06513	1.5
91.05476	17.6
93.07045	8.6
95.01361	0.5
95.04961	1.9
95.08618	4.2
97.02895	0.7
97.06522	1.2
97.10164	18.8
103.05457	2.0
104.06222	1.0
105.07024	7.1
107.04919	0.9
107.08592	10.5
109.06526	1.6
109.10155	4.2
111.04455	1.0
111.08065	2.3
113.00002	4.9
115.05470	2.5
116.04654	0.5
117.07014	14.6
119.04966	1.5
119.08576	100.0
120.08896	1.6
121.10144	2.9
123.04435	0.7
123.08049	1.2
125.09624	18.0
128.06235	1.4
129.05476	1.5
129.06987	5.3
130.07771	0.6
131.04980	0.6
131.08569	6.6
133.06491	4.7
133.07390	0.8
133.10138	3.4
135.08037	11.9
135.11621	1.0
137.09615	1.5
141.06973	2.1
142.07785	1.1
143.08575	3.3
144.05673	2.6
145.06500	2.0
145.10109	10.0
146.10368	0.7
147.04390	0.9
147.08031	9.5
147.11693	1.1
149.09605	1.6
149.13249	0.8
153.09074	1.5
154.07715	0.6
155.08534	1.9
157.06522	0.6
157.08777	1.2
157.10112	11.3
158.10579	0.7
159.08052	51.3
159.11670	5.6
160.08383	1.8
161.09613	4.2
163.07544	1.1
169.02611	4.8
169.10138	4.8
171.10333	1.0
171.11711	1.7
173.09615	8.9
174.09152	0.8
175.07564	2.1
175.11191	1.0
183.11719	0.9
185.09659	1.9
187.11160	0.9
189.11215	13.3
197.13200	1.7
199.11198	0.7
207.11716	1.2
209.13277	1.3
211.11157	0.9
211.14792	1.3
225.12733	1.8
225.16350	3.8
235.14803	3.0
237.95242	0.5
243.17427	1.6
253.15901	5.3
271.16940	13.4
271.20502	1.8
272.17258	0.6
289.18002	6.0
345.20486	1.7
363.21597	22.2
363.25333	1.9
364.21832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	36.9
57.07066	70.2
58.07394	20.4
71.59202	41.0
74.09710	100.0
79.05470	22.9
81.07030	58.3
83.08615	35.9
91.05436	25.5
93.07034	66.8
95.04954	42.4
95.08587	41.8
97.10184	39.1
105.07035	35.4
109.06512	27.4
115.97834	27.6
119.08580	45.3
133.10120	32.5
135.63361	20.8
145.10112	26.7
147.04398	32.0
165.12759	67.4
166.13037	31.6
169.38980	22.6
173.75899	24.4
209.17186	25.7
312.12427	28.0
364.25015	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	363.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05485	0.6
66.82615	0.3
67.05495	0.6
69.07050	0.4
69.37467	3.7
75.20210	0.3
78.28497	0.3
78.51809	0.3
79.05481	0.9
81.07036	0.6
91.05466	1.5
93.07019	0.7
95.08561	0.6
98.21478	0.7
100.19195	0.3
103.54849	0.4
105.07037	0.7
107.08572	0.4
115.05436	1.6
117.05801	0.5
117.07056	2.1
118.06538	34.7
119.08527	0.8
130.06503	0.5
132.08076	2.7
133.08839	1.3
142.06499	2.4
143.07285	2.9
144.08075	12.2
145.08366	0.5
146.06006	44.8
146.09627	2.2
147.06329	1.0
147.10423	0.5
160.07622	0.8
170.05974	3.4
175.63466	0.4
176.14339	100.0
177.14658	3.0
188.07066	32.3
189.07396	0.6
193.12238	1.8
201.18668	0.4
216.13820	1.2
221.64154	0.5
234.14897	1.3
272.20175	0.5
289.17868	0.6
336.94434	0.4
363.16104	0.9
363.20685	14.5
364.20947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
57.03409	0.5
59.04988	0.3
60.63770	0.3
65.03925	0.4
67.05494	1.0
69.07046	0.5
71.04977	0.3
71.58064	0.3
74.40280	0.3
79.05490	0.9
81.03416	0.5
81.07034	0.9
83.04971	0.6
83.08638	0.3
91.05471	2.4
93.07027	1.0
95.04974	0.5
95.08603	0.5
95.91413	0.3
97.06507	0.3
105.07043	0.7
107.08617	0.4
109.06458	0.4
109.10155	0.4
111.04493	0.3
112.97321	0.3
115.05444	1.2
117.05741	0.7
117.07037	1.9
118.06540	31.7
119.06870	0.7
119.08566	1.0
120.08118	0.3
120.23927	0.3
121.06489	0.6
121.10123	0.6
125.09625	0.3
129.07065	0.3
131.08574	0.8
132.08061	1.6
133.08873	0.6
133.10162	0.4
134.09612	0.7
135.08055	0.6
142.06531	1.8
143.07300	2.2
143.08363	0.4
144.04550	0.4
144.08084	11.1
145.06438	0.4
145.08379	0.4
146.06007	41.5
146.09641	2.2
147.04451	0.4
147.06308	0.8
149.09680	0.4
159.08047	0.4
160.07571	0.7
160.11296	0.3
161.11975	0.3
170.06030	3.2
173.09679	0.4
176.14343	100.0
177.14716	3.0
188.07063	28.1
189.07401	0.6
208.07489	0.4
216.13896	1.1
233.04646	0.4
234.14900	2.2
250.43686	0.3
271.16937	0.7
289.18088	0.6
363.20740	17.1
364.20938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58282	0.3
53.03934	0.5
55.01855	0.2
55.05506	1.4
56.37833	0.2
65.03935	1.6
67.05502	3.8
68.99779	0.3
69.03421	1.5
69.81263	0.4
69.81680	0.9
83.04481	0.4
83.04976	6.8
85.02870	0.3
85.82438	0.2
91.05473	11.4
93.03403	1.3
95.04961	11.1
111.04433	10.1
111.05206	0.4
112.13266	0.3
119.04935	27.8
120.05254	0.3
121.02857	0.6
126.12785	0.3
129.05461	0.3
139.03885	6.9
145.02837	0.3
147.04399	100.0
148.04726	1.5
153.05386	0.3
157.04959	0.8
165.05493	1.0
177.05472	0.8
182.75778	0.2
199.06009	19.8
303.08621	3.3
319.20181	0.5
321.09735	0.3
363.10736	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	363.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	71.3
56.64514	47.3
56.96571	48.4
66.56239	40.4
67.05501	65.3
69.07061	95.0
71.59002	77.6
71.59394	83.8
78.90554	43.3
81.07065	92.1
91.05475	80.8
93.07014	72.5
95.08618	87.0
106.25342	53.0
107.08568	46.2
133.10135	72.7
135.11711	54.4
141.68756	52.4
147.04305	57.2
149.06004	59.7
170.23781	49.2
191.10663	100.0
257.77237	47.8
265.80472	47.8
343.21622	44.9
345.24170	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
51.02627	0.2
51.51811	0.3
53.03930	0.5
55.01857	0.5
55.05508	1.6
63.02351	0.2
65.03927	2.1
66.27266	0.3
67.05167	0.4
67.05499	4.5
69.03419	1.3
69.33077	2.0
70.06570	0.4
72.08136	0.3
81.03421	0.6
83.04974	6.8
84.04522	0.4
91.05471	11.0
93.03389	1.3
95.01308	0.4
95.04963	10.7
111.04434	10.7
111.05212	0.4
117.03377	0.5
119.04937	25.4
120.05234	0.3
121.02841	0.5
126.12768	0.8
129.26575	0.2
133.04584	0.2
139.03899	6.9
143.15454	0.4
145.02856	1.6
147.04399	100.0
148.04730	1.6
149.05940	0.4
149.12833	0.2
153.05528	0.2
157.04967	0.7
165.05438	1.0
173.86374	0.3
177.05470	1.9
199.06010	17.9
204.08662	0.4
226.26552	0.2
236.29588	0.2
269.00546	0.2
303.08582	2.9
319.20184	1.7
363.10721	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	362.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
56.05014	0.5
57.03437	0.5
57.07077	5.5
58.06589	0.5
60.04512	0.3
61.40874	0.3
67.05490	0.5
68.05021	0.6
69.03416	0.4
69.07057	0.4
69.94582	1.2
70.06592	16.2
71.08636	2.2
72.04523	0.4
72.08138	0.4
74.06055	0.3
79.05486	0.8
81.07057	0.7
83.04980	0.3
83.08598	0.4
84.08137	2.0
85.05285	0.3
85.10168	0.9
86.06020	0.3
86.09690	0.9
88.04013	0.2
88.07627	13.4
89.06023	0.6
91.05470	0.8
93.07045	0.6
95.04962	0.2
95.08596	0.3
97.02874	0.5
100.07597	0.3
102.09182	2.5
102.79707	0.2
104.34967	0.2
105.07011	0.3
106.08657	0.8
107.04903	0.3
107.08607	0.3
109.06498	0.3
112.99989	1.2
114.09162	9.5
115.03969	0.3
117.06996	0.6
118.08644	1.2
119.08581	1.1
121.10147	0.2
130.08624	0.7
132.10202	28.7
133.10114	0.2
135.08025	0.3
145.10088	0.4
147.08032	0.4
149.09586	0.3
157.10083	0.3
159.08084	0.5
162.11305	0.6
169.02605	1.1
176.12811	4.1
194.13875	5.8
194.15567	0.4
229.35349	0.3
242.24750	1.2
256.26331	5.5
274.27371	3.6
278.03046	0.2
300.28864	0.6
309.24023	0.3
318.30032	2.1
362.32629	100.0
363.17545	0.3
363.21664	0.6
363.32947	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	363.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93285	8.7
57.03424	9.1
63.41317	7.2
65.38895	6.9
69.03431	17.5
70.43648	33.5
70.43997	7.1
73.02914	14.0
85.02893	29.5
86.01626	7.6
89.19822	7.0
97.02859	11.5
97.06341	7.0
98.97585	19.1
101.00807	10.8
116.98595	12.0
119.01917	28.7
125.01609	8.8
127.03905	18.9
157.03484	9.5
158.99673	13.1
161.02953	12.7
177.00684	11.2
186.59587	7.3
189.00755	11.5
191.03874	13.4
191.54146	21.7
200.04462	19.2
200.54553	19.3
201.00932	8.4
203.03883	7.8
207.01723	8.0
216.11401	13.8
219.01746	14.2
227.45177	9.2
235.06665	11.9
253.07693	27.1
261.02768	11.2
313.60690	8.6
331.05142	18.2
349.06146	36.4
363.06821	100.0
363.10825	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	362.086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.3
57.03428	1.2
69.03428	2.3
70.06597	0.5
70.38514	1.1
72.08156	0.8
73.02895	0.3
74.06071	0.6
81.03400	0.4
83.62163	0.2
84.04501	0.7
84.08119	0.7
84.83555	0.2
85.02902	6.3
85.54145	0.2
86.09691	1.0
97.02888	4.5
98.97613	0.6
110.97588	0.2
113.00017	13.9
115.03916	0.5
116.98606	0.4
119.03522	1.2
127.03963	0.5
127.05822	0.3
136.06184	100.0
137.04631	1.4
137.06500	0.8
151.01550	1.6
158.99648	0.5
177.00705	0.6
179.01027	2.0
189.00679	0.3
191.03879	0.7
200.04416	0.6
201.00647	0.4
201.12372	0.4
215.13997	0.2
227.03172	2.6
237.02802	0.3
261.02866	0.3
262.78122	0.2
281.07040	0.3
295.06909	0.3
362.08612	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	361.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62245	1.0
67.05509	1.4
71.04169	3.1
74.60885	1.1
85.76115	1.0
115.72835	1.1
119.08611	1.5
186.55754	1.3
188.89906	1.2
189.62459	1.4
203.58017	1.1
256.26459	1.7
319.05484	1.1
361.23483	100.0
362.23682	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2367
Annotation	Lobophynin B
Peak:m/z	Relative Intensity
55.05495	4.2
67.05482	5.5
68.62356	2.2
69.07056	4.1
69.53376	2.6
71.32004	5.0
79.05489	7.4
81.07034	9.5
89.45441	2.2
91.05470	7.0
93.07023	15.2
95.04964	2.8
95.08595	11.9
105.07034	23.9
107.08589	25.8
109.10146	5.5
117.06998	4.1
119.08549	19.7
121.10137	43.9
123.08031	3.4
123.11684	21.1
131.08516	5.5
133.06505	13.1
133.10130	27.2
135.08025	4.9
135.11681	10.3
142.07709	2.7
143.08572	6.4
145.10114	9.0
147.11693	5.1
149.09612	4.3
157.10118	8.2
159.11690	13.8
161.09639	6.1
165.09111	13.0
167.10692	3.6
171.08170	3.1
171.11716	17.6
173.13245	7.8
175.11217	6.2
181.12262	4.4
183.11745	3.4
185.13206	12.4
187.11218	2.9
191.07027	3.2
195.13750	8.1
197.15416	5.2
199.11259	4.0
201.12541	3.2
213.12715	3.3
225.16325	4.9
227.10735	3.1
227.14450	3.7
227.17958	37.5
241.15846	3.5
241.19551	12.0
251.18024	5.1
255.17334	2.9
263.16196	2.7
269.18982	15.5
297.18549	24.1
301.21561	41.5
311.20102	3.0
329.21109	39.2
341.95392	2.7
347.22281	5.7
361.23547	100.0
361.28073	6.6
362.23898	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	361.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04357	0.7
57.07055	1.0
62.61252	0.6
67.05482	0.9
69.77804	4.7
70.06590	1.1
81.07050	1.2
93.07067	0.8
99.41425	0.6
106.78909	0.7
117.03139	0.9
119.01063	1.3
123.04185	0.6
149.02354	1.4
158.91240	0.6
163.13547	0.7
164.58476	0.8
173.05705	0.8
193.04956	3.1
201.08881	2.5
246.66898	1.7
246.91951	0.8
248.13736	0.8
256.26550	0.9
256.58713	0.6
271.16895	0.8
274.18896	1.3
287.16199	3.7
315.15652	100.0
316.16037	1.6
330.27167	1.4
343.18799	1.5
361.19788	18.3
361.28894	4.1
361.78989	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00839	1.4
61.75344	1.2
69.45202	13.1
70.06588	2.4
72.08165	1.8
82.58315	1.2
83.06113	1.5
84.04472	1.6
84.08155	2.1
86.09678	5.5
98.06368	1.5
107.58953	1.3
127.74761	1.3
133.77589	1.3
152.06203	1.6
163.62698	1.3
165.07031	9.3
166.07837	2.1
169.06532	4.2
178.07814	4.0
179.08551	21.4
180.97600	1.6
181.06436	5.9
183.08051	37.9
189.07001	4.4
191.08563	3.8
193.06459	6.3
194.07259	2.8
195.08052	3.4
197.06000	2.6
199.10880	1.6
205.06461	2.0
206.07147	1.3
206.09619	1.6
207.08043	63.0
208.08516	3.0
209.09596	6.3
210.09129	8.8
211.07558	17.0
217.06511	5.5
219.08052	2.3
221.05962	10.9
223.07518	3.9
224.10677	1.6
233.05859	1.7
234.06990	1.9
234.09207	3.6
235.07530	100.0
236.07936	2.2
236.10751	2.3
237.09158	11.0
238.08662	4.4
239.07027	68.5
240.07353	2.3
252.10191	73.5
253.08437	2.1
263.07101	10.8
267.06482	1.7
280.09702	14.3
281.08084	63.2
284.09149	5.8
297.12344	49.0
298.10730	83.8
299.11163	1.8
315.13397	16.4
326.10251	14.2
327.08588	2.0
343.12897	49.1
344.11395	5.8
361.14066	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	361.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.0
56.05032	4.0
56.96564	15.8
57.03427	2.5
57.99038	1.4
59.85780	1.7
61.02921	3.8
68.23913	1.4
69.03429	6.1
69.07075	2.1
70.02966	1.6
70.06601	11.5
70.19716	3.7
70.20115	3.2
70.98108	2.1
72.08145	9.8
73.02889	1.7
74.06092	3.4
79.05479	4.6
81.03419	3.7
82.94768	1.7
84.04508	4.1
84.08144	33.6
85.02913	6.4
86.09714	17.1
87.05601	2.4
88.03993	3.0
91.05479	17.0
94.04192	2.4
96.96313	1.8
97.02911	4.7
98.97583	8.6
101.10830	2.1
106.06582	3.7
107.04942	11.8
108.05743	2.8
109.02878	2.7
114.59326	1.8
116.98636	6.2
118.04137	4.8
118.06541	14.9
119.01904	6.9
119.04961	13.0
119.07329	83.2
120.04440	1.7
120.05727	10.6
120.08138	2.3
122.06045	2.3
127.03891	3.0
129.10239	19.0
130.04987	1.8
130.08589	3.0
131.01909	4.2
133.03496	2.9
134.06023	25.9
134.99684	4.5
135.04430	6.3
135.06798	41.4
136.06215	6.7
136.07307	1.9
137.02936	2.7
143.01929	1.9
146.99660	4.3
147.11293	1.6
150.05496	5.7
152.07076	2.1
158.99658	2.1
160.06430	2.1
161.01215	1.9
161.02931	4.1
165.00731	3.5
166.07347	1.5
173.02930	3.3
175.04527	2.0
176.07140	2.2
183.08026	4.3
188.97177	1.8
189.00713	1.9
189.04410	2.3
190.98660	6.3
191.02153	1.8
191.03844	2.8
191.08614	2.6
193.00330	2.0
193.06442	1.9
195.08046	1.8
197.02107	2.6
200.04466	2.4
201.00845	2.0
203.03821	2.8
205.00104	3.2
207.08089	5.0
208.99678	3.7
209.09694	2.5
210.06781	4.4
211.07561	6.4
221.05302	1.9
221.42097	1.9
223.01205	3.9
224.08250	2.3
224.10620	1.9
225.09067	4.6
230.06990	2.5
235.07545	7.0
236.08420	3.7
237.02861	2.7
237.09094	16.2
239.07014	5.3
241.08603	27.2
243.06654	2.6
245.05080	3.3
248.08209	4.3
249.02563	2.1
251.00719	6.4
252.10242	14.2
253.08524	10.4
254.11797	30.3
256.09656	7.0
257.08038	5.9
265.08728	1.9
267.03708	3.5
268.96393	2.3
269.12833	34.0
270.11237	31.7
280.09671	2.3
281.08270	3.9
283.09644	14.6
285.07718	2.4
298.10754	22.6
299.09235	3.1
300.12317	7.6
315.13391	100.0
316.11655	18.4
319.15442	4.4
344.10986	2.8
361.14005	34.3
361.24762	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	361.0918
Annotation	Centaureidin
Peak:m/z	Relative Intensity
56.06964	0.2
56.52512	0.2
67.01861	1.4
68.99792	0.7
70.62704	0.7
79.01848	0.3
81.07043	0.2
83.04958	0.3
91.05466	0.3
95.01315	0.3
95.04985	0.4
104.30184	0.2
106.36047	0.2
108.02197	0.2
111.04444	1.6
122.03608	0.3
124.05212	1.0
125.02381	0.5
135.04419	0.2
139.03876	0.8
140.04662	0.5
150.03093	0.5
150.06841	0.3
151.03896	1.1
152.04680	5.1
161.06006	0.4
163.03943	0.3
164.04654	0.3
165.01840	3.8
167.03401	50.9
168.03810	1.1
175.03979	1.7
177.05486	0.5
179.03395	1.8
180.04166	4.4
184.03668	0.3
185.04425	0.6
185.06003	1.1
187.03830	0.4
190.99792	0.2
191.07091	0.3
192.04199	0.3
193.04962	0.6
201.05443	0.8
202.06265	0.5
205.04962	3.6
206.02057	0.4
207.06546	1.5
208.03661	0.4
209.00816	1.6
213.05510	0.9
214.06265	0.5
215.03380	0.4
216.04190	0.3
217.04988	0.9
217.08539	0.4
218.05756	0.3
219.06454	0.3
221.04483	0.7
223.05986	0.7
224.03140	2.2
227.03331	0.3
229.04924	1.3
230.05742	1.9
231.06499	0.5
232.03693	0.4
233.04390	2.2
235.06047	0.6
237.03784	0.3
240.04234	0.4
241.04883	1.7
242.05725	0.5
243.02890	0.5
243.06508	0.3
245.04584	0.5
245.08160	0.7
246.05153	0.4
247.05966	0.8
257.04544	1.2
258.05209	4.1
259.05908	0.7
261.03897	2.0
268.03473	0.5
269.04456	9.4
270.05038	0.8
271.02045	0.3
271.05750	0.4
272.06955	0.3
273.07599	5.2
274.04773	1.7
274.07605	0.3
275.05487	8.6
285.03915	1.8
286.04678	2.5
287.05612	1.3
289.07013	0.7
297.03989	0.9
298.04669	0.5
299.05518	0.7
300.06177	0.3
301.07056	10.7
302.04236	0.3
302.07468	0.4
303.05002	9.0
304.05295	0.4
313.03400	2.4
314.04205	15.6
315.04745	1.6
317.06567	13.2
317.09457	0.2
318.07291	5.3
327.04904	0.2
328.05829	1.1
329.06546	33.1
330.06897	1.9
331.04523	1.6
345.06000	0.3
346.06827	20.9
347.07263	1.1
361.09161	100.0
362.09485	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	28.2
59.22121	12.1
67.05496	86.4
69.07065	27.2
70.17641	33.6
70.18050	25.5
79.05503	27.7
81.07050	25.3
81.61372	11.0
82.36935	11.1
83.04971	10.5
83.08633	12.6
87.03185	12.1
91.05441	27.6
93.07055	35.3
95.04942	18.2
95.08610	22.9
97.10171	19.9
98.21462	16.6
105.06992	17.1
107.08590	37.6
109.10152	84.4
110.69940	12.1
119.08523	11.1
125.09645	28.4
127.07272	12.3
131.08580	11.6
133.10114	10.7
145.10135	13.9
148.49844	10.4
173.11751	100.0
179.10881	11.2
187.13293	44.8
193.64729	12.0
203.12720	23.7
275.20050	22.0
286.81293	11.7
306.28635	11.5
327.88632	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	361.0916
Annotation	Centaureidin
Peak:m/z	Relative Intensity
55.01867	0.5
57.64850	0.3
67.01857	1.2
67.05476	0.4
68.99796	0.9
69.46023	2.6
69.46444	0.7
81.07055	0.8
83.05018	0.5
83.08634	0.4
84.08174	0.3
91.05473	1.1
93.07050	0.8
95.04954	0.9
95.08640	0.3
98.21434	0.8
105.07128	0.3
108.71915	0.3
111.04453	1.7
119.08572	0.4
124.05189	0.6
125.02329	0.4
137.05975	0.5
139.03899	0.8
145.06372	0.3
149.02298	0.3
150.03163	0.5
151.03911	1.0
152.04686	5.0
153.05473	0.4
165.01836	4.7
166.80431	0.3
167.03404	50.0
168.03778	0.9
175.03911	1.9
176.20952	0.3
177.05472	0.8
179.03419	1.8
180.04167	4.0
183.10173	0.4
185.06018	0.9
187.03908	0.3
192.04144	0.4
193.05016	0.5
201.05499	0.6
202.06345	0.6
205.05008	3.4
206.02316	0.3
206.05695	0.3
207.06523	1.5
208.03690	0.3
209.00822	1.8
213.05478	0.9
213.82280	0.3
214.06241	0.5
215.03049	0.4
216.04266	0.3
217.04953	1.1
219.06560	0.6
221.04327	0.6
223.05981	0.7
224.03094	1.6
229.04962	1.3
230.05681	1.9
231.06519	0.4
232.03618	0.4
233.04451	2.3
235.06047	0.7
241.04893	1.8
242.05745	0.7
243.03000	0.4
243.06522	0.4
245.08105	0.5
246.05190	0.6
247.06003	1.1
257.04483	1.3
258.05234	4.6
259.05902	0.8
261.03925	1.9
269.04434	8.6
270.05020	0.8
273.07565	4.9
274.04770	1.7
275.05515	7.7
284.03204	0.4
285.03928	1.6
286.04672	2.0
287.05563	1.0
289.07037	0.7
292.14066	0.4
297.03995	1.1
298.04608	0.8
300.06320	0.5
301.07095	10.2
302.04114	0.5
302.07410	0.5
303.04968	8.5
313.03485	2.0
314.04208	15.5
315.04688	1.2
317.06552	11.7
318.07291	4.7
328.05853	0.9
329.06546	28.6
330.07025	1.9
331.04361	1.6
346.06824	20.3
347.07263	0.6
361.09174	100.0
362.09622	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	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	28.7
62.36336	8.3
65.05077	9.5
67.05510	93.7
69.07060	16.0
69.43854	59.2
69.44254	17.4
79.05484	31.6
81.07063	37.6
83.04996	10.1
83.08625	15.4
84.33190	8.2
91.05473	19.1
93.07057	26.1
95.04947	15.4
95.08609	20.9
97.10156	14.0
105.07043	17.0
107.08585	41.3
109.10173	61.5
117.07014	11.1
119.08574	16.5
119.90525	8.0
123.89072	8.4
125.09639	19.5
133.10075	9.2
133.77606	8.3
137.09497	9.6
143.95512	8.4
145.10068	8.7
151.17865	8.2
155.10696	9.9
173.11743	100.0
186.16362	7.9
187.13278	46.4
188.73282	9.5
203.12839	13.7
275.20065	20.9
374.94952	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	360.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	62.2
57.03428	19.6
59.04997	49.0
61.56404	9.7
67.05504	76.0
69.03427	15.6
69.07062	100.0
70.98705	27.7
71.04988	52.3
77.65300	10.5
79.05483	48.5
81.03426	17.2
81.07057	43.4
82.06570	13.8
83.04990	16.6
83.08625	20.4
91.05476	39.3
93.07044	36.8
95.04967	29.7
95.08603	19.5
97.06523	55.0
97.10165	34.3
101.23379	9.6
105.07066	20.0
107.08587	24.5
109.06540	17.8
109.10161	14.5
119.08579	18.6
121.10134	11.2
125.09629	26.1
131.08537	13.5
137.09688	10.6
200.81633	9.8
202.08755	8.9
222.14914	11.3
223.13350	20.6
224.71532	8.8
225.55167	9.4
242.18698	8.9
275.05753	12.7
326.21536	10.0
331.04507	30.0
346.06699	11.1
361.09042	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2126
Annotation	Leu-Leu-Asp
Peak:m/z	Relative Intensity
56.05031	1.2
62.35596	0.7
67.05501	1.5
69.07056	2.8
69.28634	6.6
70.02971	1.1
70.06588	2.8
72.08145	1.5
73.00251	0.5
74.06068	0.8
78.16486	0.5
81.07047	1.8
84.04498	2.9
84.08150	0.9
85.02904	1.0
85.04035	1.2
85.06483	0.6
86.09703	100.0
87.10025	0.8
88.03994	6.5
91.05476	1.3
93.07040	0.9
96.04469	0.9
97.01017	0.6
98.20800	1.4
105.05459	0.6
105.06965	0.6
109.10139	0.7
110.02395	1.2
113.10767	1.0
114.05521	1.0
129.10263	0.8
130.05020	1.3
132.10211	9.9
133.10046	0.6
137.02353	1.4
137.05988	1.0
138.09125	1.2
139.03952	0.6
141.10226	2.9
142.04993	0.6
147.04407	1.7
150.07787	0.8
151.11241	0.9
153.01802	0.9
156.10191	2.9
157.13391	2.3
161.05928	0.6
166.08723	2.1
167.03400	1.6
183.11293	9.9
184.09830	0.7
186.14909	0.8
187.10751	1.4
201.12338	23.5
201.14220	1.3
212.09254	1.6
229.11841	18.5
234.14925	1.9
247.12878	13.2
252.15886	1.6
254.04668	0.6
280.15298	0.8
283.16864	0.6
298.11826	0.6
302.04156	0.8
315.04953	0.7
316.17395	5.5
318.06104	2.1
319.04697	0.7
329.06451	0.8
342.06186	1.5
360.20187	0.9
361.09201	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	360.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	10.0
55.05508	84.5
57.03438	15.2
59.04998	67.3
67.05495	78.5
69.03403	11.2
69.07070	100.0
71.05003	60.2
71.58567	14.3
79.05495	76.9
81.03416	13.8
81.07050	46.7
82.04861	12.2
83.04961	9.3
83.08600	35.9
85.02879	9.6
91.05476	35.6
93.07030	43.0
95.04974	19.1
95.08585	17.2
97.06520	61.4
97.10174	60.5
105.07073	22.3
107.04939	12.8
107.08562	26.9
109.06517	9.4
109.10122	12.5
115.07554	27.6
117.06999	12.3
119.08553	11.6
121.10150	12.2
123.80802	10.0
125.09647	50.1
125.49143	10.0
131.08557	15.9
137.09642	13.4
184.46635	10.9
189.11250	27.3
209.85907	11.1
223.13353	21.0
237.14804	13.6
273.18298	11.9
315.35370	10.7
360.23972	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	360.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.2
62.35596	0.7
67.05501	1.5
69.07056	2.8
69.28634	6.6
70.02971	1.1
70.06588	2.8
72.08145	1.5
73.00251	0.5
74.06068	0.8
78.16486	0.5
81.07047	1.8
84.04498	2.9
84.08150	0.9
85.02904	1.0
85.04035	1.2
85.06483	0.6
86.09703	100.0
87.10025	0.8
88.03994	6.5
91.05476	1.3
93.07040	0.9
96.04469	0.9
97.01017	0.6
98.20800	1.4
105.05459	0.6
105.06965	0.6
109.10139	0.7
110.02395	1.2
113.10767	1.0
114.05521	1.0
129.10263	0.8
130.05020	1.3
132.10211	9.9
133.10046	0.6
137.02353	1.4
137.05988	1.0
138.09125	1.2
139.03952	0.6
141.10226	2.9
142.04993	0.6
147.04407	1.7
150.07787	0.8
151.11241	0.9
153.01802	0.9
156.10191	2.9
157.13391	2.3
161.05928	0.6
166.08723	2.1
167.03400	1.6
183.11293	9.9
184.09830	0.7
186.14909	0.8
187.10751	1.4
201.12338	23.5
201.14220	1.3
212.09254	1.6
229.11841	18.5
234.14925	1.9
247.12878	13.2
252.15886	1.6
254.04668	0.6
280.15298	0.8
283.16864	0.6
298.11826	0.6
302.04156	0.8
315.04953	0.7
316.17395	5.5
318.06104	2.1
319.04697	0.7
329.06451	0.8
342.06186	1.5
360.20187	0.9
361.09201	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	360.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86867	14.7
69.03441	30.0
70.06593	27.7
70.82758	36.3
71.09460	13.7
72.08163	23.1
80.08157	12.1
82.71685	14.1
84.08151	21.8
85.02910	100.0
97.02906	41.9
127.03902	54.4
129.10237	21.8
145.04967	46.6
192.97804	15.7
240.04051	17.8
281.01672	13.9
318.22391	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	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.6
56.05021	0.7
57.03428	1.5
58.06579	0.5
67.05491	1.3
68.99790	1.7
69.03407	0.4
70.06596	5.6
71.57396	0.5
72.08147	3.7
73.01237	0.5
74.06052	1.3
79.05470	1.3
81.03410	1.3
81.07043	2.1
83.01328	1.2
84.04492	0.7
84.08131	1.3
86.09694	2.0
88.07631	0.5
91.05464	2.5
93.07032	1.4
95.04951	2.0
95.08576	1.6
98.06020	0.5
98.97596	0.6
103.05452	0.7
105.03426	0.6
105.07005	1.8
107.04937	2.1
107.08619	1.4
115.05482	0.6
116.07087	0.9
117.07032	3.5
119.04954	3.3
119.08519	0.6
120.05212	0.5
120.08066	0.8
121.06518	3.1
121.10120	0.6
123.03579	1.1
123.04432	19.6
123.08105	0.8
131.04893	0.9
133.06441	0.6
135.04376	2.2
135.08063	3.0
136.07558	2.2
137.05945	3.3
138.06361	0.6
139.03925	1.1
145.06454	2.5
147.04407	10.6
147.08008	0.7
149.05959	3.0
151.03889	3.6
152.04250	1.3
157.06470	0.7
158.99557	0.5
159.09079	0.5
161.05998	1.6
163.03914	1.8
163.07544	11.8
165.05487	4.9
167.07143	0.6
173.05975	6.8
175.07503	1.2
177.05409	1.0
179.07036	7.1
180.07535	0.8
185.06030	0.8
188.07050	0.7
190.08635	10.7
191.07028	58.5
192.07188	0.7
201.12328	1.0
203.07057	3.2
208.09688	100.0
209.10081	1.1
220.09669	2.0
229.11919	0.8
230.45421	0.5
254.21243	1.0
272.22128	1.0
288.92471	0.5
325.10730	5.0
342.13330	4.1
343.11761	2.2
360.14429	19.4
360.32214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.51618	1.5
53.03940	3.6
55.01865	4.5
55.05498	3.3
57.03434	2.2
59.04997	1.4
61.02910	2.7
65.03922	1.9
67.05498	4.1
69.03426	9.7
69.40366	14.8
70.06573	5.1
70.22578	1.5
71.04987	3.9
71.99953	1.3
72.08131	2.7
73.02919	1.9
79.05494	4.0
81.03427	11.5
81.07041	2.2
83.04970	2.1
84.04488	3.1
84.08150	4.5
85.02429	2.3
85.02908	25.1
86.03241	1.8
86.09696	6.5
87.04439	2.2
91.05476	12.9
91.69998	1.6
93.07031	16.8
94.06525	1.5
95.04948	6.3
95.08623	2.0
97.02877	6.6
97.58147	1.4
99.04449	3.8
103.05482	3.5
105.07024	9.3
107.04998	1.7
107.08594	21.5
109.02869	10.0
109.06497	3.6
109.10116	2.7
111.08092	2.5
113.06015	3.0
117.07060	1.7
119.04913	4.2
119.08569	6.5
120.08069	1.7
121.06477	3.5
121.10165	2.5
123.04386	3.3
123.11726	2.2
125.05976	1.5
127.03922	8.7
129.07013	2.3
129.10164	1.7
130.12280	2.5
131.04910	3.6
133.10117	25.6
135.08044	2.3
135.11688	21.7
137.05977	4.1
137.09598	1.8
145.04942	3.6
147.04427	2.4
149.09534	1.8
151.03792	1.6
151.11189	2.4
151.80232	1.9
161.09662	12.2
167.07120	2.2
177.05507	2.1
179.10670	40.3
191.06934	1.8
197.11732	100.0
212.07352	2.9
213.07683	4.3
231.08655	7.4
231.48369	1.6
261.60101	1.8
359.29007	3.3
361.26297	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.07944	1.1
52.71659	1.1
55.01875	2.6
61.02912	1.6
65.03955	1.2
67.05495	2.0
69.03413	3.1
69.07066	1.5
69.31338	8.3
69.31754	3.2
70.06583	3.1
71.04991	1.1
72.08170	1.2
72.70606	1.1
73.02930	2.0
79.05473	3.5
81.03424	2.2
81.07056	3.2
84.08141	2.2
85.02901	8.6
86.09704	16.6
87.04517	1.0
91.05482	5.5
93.07040	9.1
95.08623	2.2
97.02892	2.2
105.07038	8.5
107.08587	36.6
109.06554	1.1
109.10117	2.1
119.04913	1.9
119.08575	6.5
121.10140	8.9
121.72570	1.1
123.11676	2.0
127.03898	2.3
128.06177	1.5
130.04971	1.9
131.08614	1.2
132.10170	1.6
132.60986	1.2
133.10136	21.6
137.06023	7.8
138.06334	1.3
139.07549	2.5
143.08534	1.8
143.11792	1.2
145.05017	1.2
147.04388	2.2
149.09622	3.2
151.03882	4.4
151.11159	8.0
153.05391	3.2
155.11778	1.3
161.09564	6.3
167.10690	14.0
171.11507	1.1
177.05435	1.2
179.07028	1.4
179.10689	17.1
186.14905	1.4
189.09161	1.6
197.11728	100.0
198.12090	3.3
200.13905	3.6
201.12344	2.3
228.83728	1.2
279.64890	1.2
315.19299	3.1
359.14395	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
52.09511	2.8
53.59067	2.7
55.01870	23.7
55.05510	3.5
56.96561	6.9
65.03943	3.1
67.05503	9.1
69.03419	3.3
69.07065	3.3
69.76903	5.6
69.77313	14.9
70.06591	24.0
72.08159	19.8
79.05489	6.6
81.03410	4.4
81.40038	2.6
82.92052	2.9
84.04494	5.9
84.08138	18.8
85.02851	3.5
86.09712	31.9
91.05476	12.7
93.07046	6.2
95.04961	9.7
96.29807	2.8
98.76015	3.1
98.85634	2.8
98.97584	7.0
102.05543	3.3
102.21085	3.0
103.05470	48.9
105.07027	9.7
107.04948	5.5
109.02883	7.3
111.04485	4.8
115.05453	4.9
117.03377	4.2
117.07011	3.4
118.61726	2.7
119.04951	40.7
119.08627	4.2
122.03672	6.4
122.15059	3.5
123.04424	16.0
125.05897	3.7
129.07004	5.4
129.10277	10.6
131.04926	82.0
133.06464	3.0
137.05977	78.5
139.03923	8.9
141.05464	6.9
143.11862	3.9
145.02820	5.3
147.04399	44.6
149.06053	5.1
151.03906	100.0
151.05022	8.3
151.07478	4.6
152.91937	3.0
157.06454	5.2
160.05232	4.2
161.05928	8.6
163.03903	3.8
163.07538	31.1
165.05467	4.3
167.07005	6.3
175.07475	15.7
177.05446	9.9
179.07043	58.9
187.07550	7.4
189.09131	4.1
190.08763	4.3
191.06981	23.0
205.08583	6.8
208.09715	29.4
215.05869	5.6
217.08586	3.6
219.08159	5.4
231.08330	4.5
247.07613	3.8
279.10226	6.1
309.11121	3.5
311.13000	6.1
341.13989	6.5
357.77084	3.6
359.10568	3.7
359.14725	17.4
360.14136	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	359.1122
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
58.80333	0.2
69.55140	1.2
69.55565	0.7
73.61111	0.3
81.03371	0.4
93.03378	0.5
98.21461	0.5
109.02831	0.4
121.02847	1.3
124.05186	0.4
137.02330	1.9
137.05939	0.4
139.05302	0.3
141.05437	0.3
149.02260	0.8
150.03029	0.3
150.59116	0.3
151.03900	9.1
151.04997	0.5
152.54488	0.2
163.03842	0.7
165.01833	8.7
165.05452	0.5
166.02307	0.3
167.04834	0.3
174.06908	0.3
181.04919	0.8
183.02853	0.3
183.04326	0.3
185.05869	0.7
189.09030	0.3
195.04340	0.3
201.05347	0.7
211.03851	0.3
212.04591	0.7
213.05453	2.0
214.06029	0.3
217.08504	0.6
223.03894	0.4
227.06947	0.8
229.04942	2.3
230.05795	1.5
231.06432	0.3
239.03380	0.3
240.04128	0.9
241.04968	2.1
243.06485	0.4
244.03568	0.3
245.08101	3.3
251.03221	0.3
255.06458	1.3
257.04425	2.1
258.05200	2.7
259.05750	0.3
265.04904	0.4
267.03049	0.3
268.03702	0.7
269.04449	1.6
271.06049	0.6
272.03189	0.3
273.07556	8.5
274.07993	0.4
283.06015	1.0
285.04022	3.5
285.07428	0.6
286.04730	5.4
297.03760	1.1
299.05399	0.8
300.02750	0.6
300.06302	1.0
301.07053	17.0
302.07419	0.8
311.05322	1.1
312.06223	0.5
313.03586	2.6
313.06979	0.5
314.04178	3.6
315.05270	0.4
315.08554	1.8
316.09409	0.5
327.04987	0.2
327.08618	0.6
328.05756	1.7
329.06537	45.8
330.06943	1.6
343.08099	4.7
344.08884	46.2
345.09177	2.0
359.11230	100.0
360.11603	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	359.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10902	0.4
55.05507	0.6
58.00965	0.3
66.75643	0.4
70.30672	0.8
70.31077	0.5
79.05447	0.3
91.05485	0.6
93.07037	0.6
94.85295	0.3
101.39044	0.3
105.07086	0.4
107.08625	0.4
130.41910	0.3
131.08591	0.4
133.10056	0.4
134.03642	1.3
137.05913	0.3
149.02351	0.3
161.02336	1.6
167.03438	4.0
177.88972	0.3
200.04698	1.2
215.75204	0.3
222.01572	0.4
225.05446	0.8
228.04185	4.7
229.01486	0.3
238.02492	1.5
239.03404	0.6
243.06593	2.5
253.04948	3.5
256.03607	2.6
257.15820	0.4
266.02063	2.7
266.18430	0.3
271.05994	1.5
283.02435	1.4
284.03149	11.7
285.03836	0.5
294.78430	0.4
298.04999	0.4
299.05493	5.4
309.04080	0.4
312.02597	1.7
325.71317	0.3
327.04990	100.0
328.05396	3.4
329.06445	0.5
344.09058	1.1
359.07806	1.6
359.11349	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0763
Annotation	Robustaquinone G
Peak:m/z	Relative Intensity
55.01790	0.9
55.05428	0.9
55.05670	0.4
61.01054	1.3
65.03868	0.5
67.05405	1.8
69.03375	0.3
69.06975	0.9
69.67162	1.9
70.06528	0.4
72.08055	4.1
72.08480	0.5
79.05401	0.9
81.03345	0.6
81.06947	4.3
81.07462	0.5
83.04894	0.5
83.08532	0.7
84.08044	0.9
84.08504	0.3
85.02818	0.4
85.06470	0.7
86.09608	0.9
87.02585	0.4
91.05363	1.2
91.74060	0.3
92.02551	0.7
93.06939	1.2
93.07455	0.3
95.04849	1.4
95.08491	1.0
95.29891	0.3
97.06435	0.5
98.05967	0.4
98.20807	0.6
99.08014	0.3
103.05386	0.7
103.72668	0.3
105.03281	0.6
105.06889	1.1
107.04866	0.7
107.08477	0.9
108.02003	0.4
109.02791	0.5
109.10049	1.0
111.04357	0.4
111.08012	0.5
115.05296	0.3
115.76327	0.3
117.06931	0.8
119.04953	1.4
120.01965	1.3
121.02745	1.0
121.06378	0.5
121.10053	0.6
122.03524	0.6
123.04314	0.9
124.07522	0.4
129.06947	0.5
131.04785	1.0
131.08569	0.3
134.03523	1.3
135.04439	0.3
135.11642	0.5
137.02332	2.0
137.05995	3.9
138.02985	1.3
141.05341	0.4
142.08517	1.3
145.06360	0.7
145.10028	0.6
147.04456	2.1
149.02254	0.8
149.05841	0.4
150.03049	0.4
151.00163	1.3
151.03911	4.5
151.04976	0.5
153.01817	0.4
153.05461	1.6
153.06528	0.4
157.06380	0.6
159.08376	2.1
161.02225	1.0
161.05899	0.6
163.03835	0.6
165.01840	3.0
165.05383	0.6
166.02679	2.2
166.89203	0.3
167.06915	0.9
168.05621	0.8
169.01248	0.5
169.06425	0.5
173.05878	0.5
175.07468	0.7
177.01712	0.6
177.05388	0.4
179.03439	2.1
179.07016	2.8
181.04955	8.3
184.03542	1.2
184.05040	0.4
184.09566	0.9
185.05853	0.5
186.06584	0.5
187.07523	0.4
189.08978	1.0
194.02010	0.4
196.05104	1.0
197.05876	0.7
205.08492	0.5
207.02791	0.5
213.05429	1.6
214.06245	0.4
219.08060	0.5
222.01625	0.6
223.02151	0.5
223.04039	0.4
224.04575	1.1
225.05321	0.4
228.04202	0.4
237.17999	0.3
240.04205	0.4
241.04851	1.3
242.05629	0.8
243.10187	0.3
249.14307	0.3
252.04192	1.8
253.04849	0.5
256.03632	0.4
257.07996	0.5
267.06497	1.8
268.03662	2.3
269.04480	3.8
270.05258	1.9
273.04010	0.3
279.03088	0.5
280.03568	1.8
281.04514	1.4
282.05240	0.5
283.02347	1.8
284.03030	0.7
285.04034	0.5
285.07465	0.6
287.05551	2.0
295.02335	0.4
296.03259	0.9
297.03946	24.1
298.04648	3.4
299.05585	0.6
302.04199	0.6
308.03107	0.8
309.03885	2.2
310.04797	0.4
311.01868	1.8
312.02658	5.2
313.03632	0.6
313.07040	7.6
313.10690	0.5
315.04956	1.5
316.05701	1.6
323.01755	1.9
324.29004	1.9
325.03436	25.4
326.04218	15.6
327.04703	0.5
331.08078	3.4
341.06561	100.0
341.31616	2.4
342.06842	2.7
344.08743	0.6
359.07617	28.1
359.10809	1.2
359.14990	1.6
359.19751	6.5
359.32596	1.8
360.08029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90719	2.6
55.05507	7.2
56.22924	3.0
59.04853	4.8
60.05653	23.3
65.03943	4.4
70.06591	16.7
71.16412	6.0
72.08152	62.9
73.06436	11.1
74.02433	3.6
79.93703	3.1
84.08143	44.2
86.02419	3.9
86.07191	17.0
86.09714	4.1
87.07966	21.8
88.39611	3.0
95.04990	3.4
96.22408	3.4
97.07655	12.3
98.06048	15.8
100.07616	4.2
100.08736	13.7
101.09492	3.6
111.04440	4.0
111.91492	3.1
114.10303	47.4
115.08679	11.0
116.11496	3.5
121.02841	5.9
122.03614	3.7
123.04427	6.5
127.08694	6.5
128.07094	23.9
129.11360	4.2
131.12923	100.0
133.02856	7.6
134.03627	3.1
137.05959	8.7
138.36275	3.1
140.08269	3.2
145.02803	18.9
149.02357	11.1
151.03914	7.3
153.05418	6.5
157.10844	16.9
161.02367	3.8
163.03938	14.5
172.13463	3.3
177.05464	58.5
177.06892	5.7
187.11896	39.1
188.12680	4.7
193.05016	8.6
200.16521	8.1
236.76122	3.7
248.09332	4.3
261.29846	3.4
266.10202	3.8
276.13516	3.6
290.15146	4.9
292.15302	5.7
293.16049	4.9
305.16104	8.4
306.16867	8.8
307.14200	3.7
307.17612	62.1
323.17099	6.1
325.15155	6.5
339.16568	4.0
357.17514	7.3
357.27542	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	357.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
69.03417	0.8
69.07060	0.6
69.55276	4.0
75.23508	0.5
79.05507	1.1
81.03398	1.1
81.07041	1.4
87.27832	0.5
91.05482	1.5
93.07056	0.8
94.04175	1.2
95.08605	1.1
97.06508	0.5
105.07026	1.1
107.04955	1.5
109.02887	0.7
109.06493	1.0
111.04348	0.6
115.05401	0.8
117.06995	0.8
122.03650	2.9
123.04436	0.5
123.75561	0.5
137.05969	24.7
138.06337	0.6
143.04913	1.6
145.02780	0.6
147.04395	1.1
151.03902	3.9
151.04939	0.7
161.06036	0.9
167.07018	1.0
175.07545	1.3
177.05469	0.9
178.07899	0.5
181.05005	1.0
187.07608	0.6
195.06592	3.0
197.48877	0.5
203.07097	0.8
205.08586	0.9
235.07867	0.5
236.08347	0.5
264.07733	0.7
265.08475	0.7
295.09741	0.7
307.09628	0.8
312.88358	0.5
325.10812	1.1
327.12210	3.0
357.09457	2.5
357.13669	5.9
357.18799	100.0
358.19046	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	357.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.6
58.36615	2.1
59.04878	3.1
60.05646	25.7
65.03960	3.3
68.99781	2.4
69.55385	15.6
69.55785	3.9
70.06592	14.4
72.07747	3.6
72.08154	64.2
73.06429	7.7
74.02453	3.9
84.08137	7.9
86.02428	8.5
86.07205	10.7
87.07971	15.6
87.65912	1.9
97.07655	11.9
98.06062	11.7
100.07640	4.3
100.08733	8.8
107.05003	2.4
111.04447	7.4
112.08805	2.1
114.10281	49.0
115.08694	5.9
117.03349	2.4
119.06903	2.1
121.02863	3.8
123.04397	2.4
125.06011	3.7
125.92848	2.0
127.08699	6.7
128.07082	28.4
131.12923	100.0
131.42516	2.0
133.02855	7.8
135.04414	2.2
137.05981	22.9
141.11375	1.8
143.71248	1.9
145.02818	5.2
145.09712	3.0
149.02312	7.2
151.03827	3.0
153.05452	8.5
157.10841	16.3
163.03940	3.6
165.05498	4.0
165.12762	1.9
176.04669	3.6
177.01918	3.9
177.05496	12.3
181.04953	4.2
187.11890	43.6
188.12604	6.6
193.04967	11.6
209.04514	3.6
231.08961	2.9
232.09534	2.2
234.20541	1.8
246.11292	8.7
262.11032	3.0
278.10950	2.1
288.13272	2.2
291.14432	2.0
292.15411	4.4
293.16144	2.3
305.16019	8.0
306.16748	8.3
307.14261	3.7
307.17529	14.4
321.15588	2.2
323.17087	2.5
325.15317	2.6
339.16803	3.7
357.17557	10.4
357.27481	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	357.1331
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.74239	1.8
55.01867	14.5
55.05505	4.8
57.03422	3.7
57.43676	2.0
65.03923	3.0
67.05495	8.1
69.03412	3.9
69.07072	2.6
70.06607	3.1
71.05006	3.1
71.33961	3.8
72.08186	2.2
72.76341	1.7
76.02222	1.9
77.15342	1.9
79.05490	11.3
81.03386	4.8
81.07046	12.9
84.08147	2.4
85.02869	2.5
85.06522	2.0
85.21108	1.9
89.03925	2.4
89.67294	2.1
91.05448	13.5
93.07050	8.0
94.04181	5.7
95.04964	7.6
95.08587	8.2
97.02857	4.3
97.06542	2.0
99.04478	2.1
103.05456	7.0
105.06395	2.2
105.06999	12.8
107.04952	10.3
107.08550	2.9
109.02889	3.0
109.06506	7.5
109.10155	5.0
111.04447	7.5
115.05460	8.9
117.03410	2.5
117.06999	4.2
119.04962	3.1
119.08622	4.8
121.06488	2.4
121.10126	2.3
122.03652	13.3
123.04487	2.2
123.08040	2.8
125.05976	4.2
127.03905	3.0
131.04912	7.3
133.06467	5.2
133.10095	4.0
137.02341	3.4
137.05968	100.0
138.06337	2.6
143.04918	6.2
145.02832	2.6
145.06432	5.1
146.03627	6.7
147.04424	5.9
147.11627	2.1
149.05975	3.3
151.03917	9.3
153.05424	4.4
155.04913	4.6
160.05185	4.3
161.05980	21.7
162.06789	2.8
163.07571	2.9
165.05476	25.5
165.06990	5.7
167.07114	5.7
171.04485	2.7
172.05220	3.4
175.07526	4.5
177.05472	15.4
177.09129	2.0
178.07829	3.0
179.08598	4.5
179.14240	2.3
181.10034	2.4
187.07556	6.2
189.05504	2.7
189.07019	10.2
190.07735	9.0
191.08528	12.8
195.08067	3.3
197.05942	2.2
202.07748	4.6
203.07001	7.6
205.06490	5.3
206.07184	3.8
207.08047	9.5
208.08699	2.7
215.07014	6.9
217.06509	2.7
218.07245	22.1
219.08073	26.9
221.06013	4.9
223.07513	2.9
224.08412	2.6
229.06581	6.5
231.07954	4.1
233.06004	2.8
233.09877	3.8
234.06673	10.7
234.82854	2.1
235.07487	15.5
236.08308	7.7
237.09190	5.0
246.06712	15.8
247.07608	29.2
248.08315	6.8
249.05510	3.2
249.09149	10.0
250.09874	3.9
251.07021	4.4
251.10628	5.6
257.05969	10.3
258.06845	2.3
259.08105	2.3
259.11099	2.6
261.09061	27.0
262.06271	5.7
262.09518	2.6
263.07071	15.6
264.07831	12.9
265.08621	6.5
267.09930	4.8
269.08154	3.4
274.06213	12.2
275.06973	13.1
277.08603	18.6
278.09262	6.5
279.10162	11.0
289.08551	38.9
290.09338	6.5
291.06601	4.9
292.07147	5.4
293.08060	3.6
294.08780	6.9
295.09653	6.7
306.08813	8.0
307.09619	59.8
308.10138	6.5
309.07904	3.6
309.11081	14.3
315.04965	6.0
321.11169	40.7
325.10666	5.3
327.12283	17.0
331.21500	2.3
339.12283	25.5
340.12680	2.5
357.09567	6.3
357.13391	16.4
357.17206	3.5
357.23642	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	357.1332
Annotation	Pluviatolide
Peak:m/z	Relative Intensity
53.03952	0.3
55.01859	1.0
55.05504	0.6
61.62946	0.4
65.03931	0.7
67.05489	1.3
70.06589	2.1
70.83890	0.7
70.84258	0.7
72.08138	0.9
79.05491	1.7
81.03410	0.4
81.07042	1.5
83.06117	0.4
84.04477	0.9
84.08133	1.4
85.02901	0.6
85.06494	0.6
86.00674	0.6
86.09699	2.6
87.04472	0.8
87.10051	0.4
91.05428	2.4
93.07061	0.8
94.04199	2.4
95.04980	0.9
95.08577	0.7
97.02882	0.6
98.06023	0.5
98.20863	0.4
100.02169	0.5
100.07603	0.7
103.05476	0.7
105.07024	0.9
107.04932	1.2
107.08565	0.8
108.02055	0.4
109.06557	0.4
109.10165	0.4
111.04469	0.7
112.70170	0.3
115.05446	1.6
116.07067	0.7
117.07024	1.3
117.35893	0.3
119.04909	0.4
119.08562	0.5
121.06638	0.4
122.03652	8.4
123.04387	0.6
124.07552	0.4
125.05971	0.3
125.09631	0.4
129.10217	0.4
131.04916	1.2
137.05974	100.0
138.06342	1.7
141.05466	0.5
143.04916	6.5
145.06448	0.6
146.02652	0.8
147.04407	1.0
147.07709	0.4
149.05983	0.6
151.03905	15.5
151.05002	1.3
151.07529	0.7
153.05386	0.5
161.05946	0.8
163.07576	0.8
165.05482	0.7
167.07089	1.3
169.44606	0.4
173.05952	0.4
175.07535	1.8
177.05496	0.8
177.09105	0.4
186.11229	1.0
191.06972	0.5
203.07018	2.3
205.06673	0.7
205.08542	2.8
219.08081	0.8
234.06821	0.4
247.07599	0.5
264.07837	0.6
265.09497	0.8
267.10187	0.6
279.10092	0.8
292.07358	0.5
293.08810	0.4
295.10190	0.4
296.10217	0.4
297.11224	0.6
307.09497	0.7
311.09955	0.8
325.10687	0.6
327.12247	10.7
327.16016	0.7
335.95135	0.4
339.12436	1.0
357.13321	19.7
357.27435	0.7
358.13556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0967
Annotation	8,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
55.05505	0.5
67.05503	0.7
69.07034	0.3
70.36204	0.3
70.82937	1.0
70.83284	0.4
72.31534	0.3
77.03898	0.4
79.05485	0.7
80.02695	0.3
81.03416	0.4
81.07053	1.3
90.74476	0.4
91.05458	0.9
93.07042	1.0
95.04987	0.6
95.08593	1.1
99.04477	0.4
105.07023	0.3
107.04986	0.7
116.01673	0.4
119.08589	0.4
120.02065	0.5
121.02865	0.8
121.10162	0.4
122.03629	0.5
123.04446	0.3
133.02895	0.8
137.02303	0.4
137.05966	4.3
143.02818	0.4
143.04929	0.5
149.05981	1.1
151.03949	0.8
151.05011	0.4
152.06299	0.4
153.05453	0.6
156.10205	0.6
161.06004	0.7
163.03831	0.4
165.01865	0.9
165.05510	0.9
166.02620	0.5
167.07111	0.4
169.06511	0.7
174.64606	0.4
175.03873	0.5
175.07523	0.4
177.05449	0.6
179.03387	0.7
181.01295	0.3
181.04938	2.4
181.06473	0.9
183.04381	1.0
187.07587	0.7
189.03264	0.6
189.05574	0.4
195.07999	0.4
195.10069	0.3
197.05946	2.5
198.06709	1.9
199.07509	0.6
202.06190	0.6
203.03386	1.5
203.06966	0.5
206.02109	0.8
207.02861	1.1
209.05948	0.9
211.03923	2.0
211.07542	1.5
212.04677	0.8
213.05481	0.4
214.06145	0.7
215.06972	2.1
219.08154	0.5
221.04395	0.8
222.05226	0.5
225.05411	2.1
226.06245	6.1
226.44957	0.4
227.07008	6.4
228.04137	0.5
228.07709	0.4
229.05019	0.5
233.05843	0.4
235.07657	0.4
235.36954	0.4
237.05527	1.2
239.03409	1.2
239.07030	1.2
240.07814	0.9
241.08636	4.1
242.05823	0.6
242.09084	0.6
242.53168	0.4
243.06493	3.9
253.04958	1.5
254.05730	7.4
254.09355	0.6
255.06458	3.3
257.08078	2.1
258.05283	0.8
258.08804	0.6
265.04962	0.4
266.05615	0.5
267.02823	0.4
267.06433	1.5
267.95895	0.4
268.07272	3.1
269.04721	0.6
269.08109	5.9
270.05200	0.6
270.08847	2.3
271.06000	5.3
273.11258	0.8
279.10196	0.6
281.04434	0.9
282.05212	2.1
283.06174	1.8
284.03333	0.5
285.07648	1.7
285.12741	0.5
286.08270	3.3
296.06808	1.2
297.04260	0.6
297.07501	3.1
298.04654	1.2
298.08282	1.4
299.05502	4.5
299.08627	0.6
301.10544	1.8
307.09625	0.8
310.04709	1.6
311.05716	0.5
311.09192	0.6
312.02652	2.9
313.07031	4.1
314.07867	3.1
325.07065	3.4
325.10522	0.6
326.04379	0.4
327.05008	8.0
327.12225	0.7
328.05603	0.7
329.06616	0.5
329.10175	5.3
339.12286	0.4
339.17130	0.4
341.06577	3.3
342.07324	14.9
357.09668	100.0
358.09961	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	357.0965
Annotation	8,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
55.01869	0.5
55.42167	0.4
67.05483	0.6
70.25522	1.0
70.25918	0.7
75.04472	0.4
81.07066	0.6
85.18196	0.3
91.05480	0.6
93.07039	0.7
95.04953	0.7
95.08582	0.6
121.02868	0.7
133.02811	0.8
137.05939	3.8
148.05183	1.0
149.05966	1.1
151.03870	0.9
153.06931	0.5
159.11742	0.4
161.06055	0.5
161.83284	0.4
165.01830	1.4
165.05443	0.9
166.02583	0.5
167.06955	0.5
169.06451	1.5
176.04674	0.4
177.05444	0.7
179.03416	1.4
181.04922	1.5
181.06483	1.3
182.07060	0.5
183.04359	1.1
183.31633	0.4
185.05959	0.5
187.07574	0.9
197.06007	2.3
198.06725	1.4
198.76837	0.4
199.07469	0.5
202.06244	0.7
203.03397	1.1
206.02141	0.5
209.06009	1.0
211.03896	1.8
211.07542	1.7
212.04665	1.1
213.09044	0.5
214.06175	0.7
215.07005	1.9
215.08841	0.5
221.04460	0.7
222.05170	1.1
224.05009	0.4
225.05496	3.0
226.06204	6.2
227.06993	6.0
229.04942	0.7
229.08705	0.7
236.04713	0.5
237.05466	1.4
239.03294	1.2
239.06990	1.8
240.07782	1.3
241.04900	0.6
241.08580	4.5
242.05759	0.7
243.06467	4.0
253.04985	1.6
254.05711	8.0
254.09566	0.6
255.06447	3.6
257.07971	2.1
258.05258	0.7
260.86093	0.4
267.06442	1.5
268.07263	3.3
269.04129	0.5
269.05026	0.6
269.08081	6.4
270.05524	0.6
270.08859	1.4
271.05997	5.2
273.11215	0.7
281.04514	1.1
282.05225	2.3
283.06009	2.0
285.07556	1.5
286.08389	3.2
296.06711	1.7
297.04501	0.7
297.07571	3.3
298.04691	1.1
298.08292	1.2
299.05496	4.7
301.07703	0.5
301.10635	2.1
310.04828	2.3
312.02716	2.7
312.05814	0.6
313.07034	5.5
314.07825	3.2
325.07040	6.4
325.10544	0.4
326.07764	0.5
327.04956	8.9
328.05673	0.6
329.06601	0.7
329.10110	5.6
341.06540	5.1
342.03680	0.6
342.07294	12.0
343.03864	0.5
343.07745	0.5
357.09656	100.0
358.09991	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0967
Annotation	Ageconyflavone A
Peak:m/z	Relative Intensity
62.93695	0.3
67.05501	0.3
68.30450	0.3
69.03440	0.4
69.22504	0.3
69.58890	2.5
71.20321	0.3
79.05486	0.5
81.03415	0.3
81.07069	0.5
91.05450	0.4
93.07030	0.6
95.04964	0.5
95.08619	0.6
96.84547	0.3
121.02847	0.4
129.57687	0.3
135.04358	0.5
137.02338	0.8
137.06017	1.7
141.06996	0.6
147.04457	0.4
149.02324	0.7
149.05934	0.5
151.03865	0.5
152.75789	0.3
153.07002	0.5
154.02643	0.4
155.04872	0.3
161.02316	1.0
163.03857	0.7
165.01817	3.0
165.05505	0.6
167.03439	0.6
169.06470	0.7
175.07573	0.3
177.05426	0.6
179.03389	1.1
180.05742	0.5
181.05003	0.8
181.06516	0.9
183.04413	1.6
193.10403	0.3
197.05948	3.0
198.06714	0.8
203.03265	0.3
207.02924	0.8
209.06029	0.6
211.03903	1.3
211.07536	1.0
212.04706	0.4
215.07097	1.0
222.05324	0.7
224.04637	0.5
225.05444	3.8
225.09029	0.5
226.06256	2.2
227.07030	2.1
228.04153	0.4
229.04872	0.5
237.05457	1.1
239.03398	1.6
239.07068	1.2
240.07697	0.3
241.04944	0.5
241.08618	1.7
242.05638	1.6
243.06601	1.9
253.04958	3.5
254.05719	2.8
255.06557	1.9
257.04556	0.3
257.08093	0.8
265.04935	0.6
267.02936	0.7
267.06540	1.1
268.07306	2.5
269.04504	1.1
269.08069	3.1
270.05157	1.4
270.08508	0.5
271.05963	3.1
273.11176	0.5
280.03790	0.4
281.04330	1.9
282.05255	1.2
283.05957	1.9
284.03461	0.6
284.06741	1.0
285.04202	0.5
285.07596	1.8
286.08243	1.2
295.06216	0.3
296.06787	1.3
297.03876	1.0
297.07623	2.4
298.04739	1.7
298.08154	0.6
299.05487	7.9
300.06256	0.7
301.10657	1.0
309.03738	0.6
310.04639	1.2
311.05206	0.4
312.02673	1.1
313.03702	0.4
313.07034	12.7
313.10681	0.8
314.07761	2.2
324.06241	1.4
325.03394	0.5
325.07022	3.2
325.10703	0.5
326.04144	1.2
326.07773	0.6
327.04996	7.7
328.05731	2.4
329.06427	1.0
329.10248	1.3
341.06546	10.8
342.07321	17.8
343.07693	0.9
357.09674	100.0
358.10056	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	356.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.7
56.13751	3.4
57.07060	7.9
67.05495	13.9
69.07055	14.0
69.80279	20.0
70.06571	8.4
71.04977	12.0
76.99088	3.1
79.05477	11.0
81.07062	34.5
83.08611	13.4
88.07631	12.8
91.05465	9.6
93.07037	16.3
95.04978	7.4
95.08589	13.8
97.06519	3.5
98.20785	6.6
105.07023	8.5
106.08675	9.7
107.04961	6.1
107.08576	8.8
109.06495	14.3
111.08097	3.9
119.08530	8.5
121.06510	3.5
123.08053	6.6
131.08551	6.4
133.10126	3.5
145.10138	8.4
147.11678	6.0
159.11732	6.5
163.11243	4.2
168.06815	3.5
229.19272	3.9
257.18799	5.2
275.20084	31.1
307.22702	21.6
338.34039	5.8
356.35193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59732	2.2
55.05513	14.9
58.34303	2.1
67.05499	12.7
69.07066	33.8
69.69364	17.1
70.06602	14.8
71.04974	4.2
79.05477	7.3
81.07037	9.4
83.08631	5.0
88.07616	18.5
91.05479	7.5
93.07027	7.7
95.04972	3.3
95.08588	8.0
95.69980	2.3
97.06514	4.4
97.10100	2.7
98.21516	2.5
99.08089	3.4
102.09174	4.0
105.07027	7.9
106.08659	6.8
107.08596	5.7
109.10152	5.9
111.08082	2.4
111.80331	2.5
117.07021	4.1
119.08540	8.0
121.10146	3.9
131.08618	2.7
133.10141	5.8
137.09523	2.6
145.10060	4.6
149.09648	4.4
149.13361	2.9
155.08539	3.0
159.11647	2.9
173.13164	2.9
226.17937	2.3
275.20093	7.8
289.21738	5.1
321.24472	3.4
338.34122	8.4
356.35205	100.0
357.25803	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01871	5.3
55.05511	46.2
57.03429	11.9
57.07071	13.4
63.40046	2.6
66.04945	2.9
66.83926	2.7
67.05504	87.4
69.07062	59.7
70.06581	9.1
71.04996	3.8
71.08630	9.6
71.57789	4.6
71.58176	4.7
74.50249	3.1
79.05486	31.3
81.03421	4.3
81.07054	100.0
83.04968	2.6
83.08613	35.2
88.07644	5.2
91.05438	11.8
91.05869	9.7
93.07037	35.3
94.68509	2.6
95.04986	3.8
95.08602	89.6
96.41578	2.7
97.06543	11.4
97.10176	25.6
105.07040	20.2
106.08662	4.7
107.08610	29.4
109.10155	48.0
111.08090	8.2
111.11743	10.0
116.42189	3.0
119.08571	19.2
120.91358	2.9
120.92258	3.0
121.10146	33.9
123.11687	24.9
125.09616	4.3
133.10130	19.5
135.11697	19.8
137.13248	9.1
147.11676	18.3
149.13243	18.1
151.14796	7.9
154.71167	2.7
157.23914	3.2
161.13249	15.9
163.14845	12.8
165.16371	8.1
175.14827	13.3
178.86494	3.5
179.17903	3.8
189.16394	5.6
207.17467	3.4
229.07350	3.9
245.22636	46.6
263.23669	45.3
337.27466	26.8
355.06912	5.5
355.28525	6.5
355.33975	5.3
356.35281	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	356.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.0
53.03945	5.3
54.60572	1.0
54.67032	0.8
55.01867	14.9
55.05503	6.9
56.05014	3.5
57.03438	1.0
60.04520	6.8
67.05499	4.2
68.05022	9.2
69.03419	7.7
69.07043	3.2
69.56335	7.8
72.04518	1.2
72.08147	1.1
73.02902	1.0
77.03900	0.9
77.55754	0.9
79.05478	4.3
81.03403	1.6
81.07038	7.4
83.08604	4.0
84.04498	10.3
85.02894	1.8
86.06064	2.7
86.09753	0.9
91.05463	39.3
92.05744	1.0
93.07036	100.0
94.07368	2.0
95.04952	13.8
95.08591	1.7
96.04487	15.2
97.02885	73.4
98.06015	1.2
102.05543	2.5
105.04501	1.9
105.07039	1.8
107.08579	2.2
109.06525	1.3
109.10136	1.3
110.06022	1.8
111.08073	25.0
114.05518	23.2
115.03923	3.5
115.05511	1.1
119.08603	4.6
121.10152	1.5
128.07097	1.2
132.06546	1.5
135.08022	1.8
137.05951	8.5
137.09558	1.6
138.05489	58.4
144.06566	1.7
147.08015	1.3
151.03880	1.0
156.06548	11.6
165.09183	1.2
168.06516	1.1
169.04907	1.8
169.24086	1.0
174.07591	5.7
184.73669	0.9
205.85541	1.0
216.13809	3.9
228.08644	74.8
229.08990	2.0
252.05785	1.0
297.10962	1.3
326.16351	0.9
356.08075	2.7
356.17023	68.2
356.21765	5.5
357.13379	1.6
357.17398	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03959	3.1
55.01870	4.1
55.05510	42.3
56.06139	2.7
57.03419	12.8
57.07075	16.0
67.05505	75.2
69.07069	52.4
70.28366	5.6
70.28765	5.8
71.08618	7.4
71.19477	2.7
79.05483	25.1
81.07053	100.0
82.07369	2.7
83.04961	2.8
83.08610	35.7
85.06531	3.4
91.05459	15.8
93.07036	33.8
95.04955	3.7
95.08604	80.2
97.06533	11.8
97.10154	22.9
99.08087	3.1
105.07050	16.3
107.08591	21.1
109.06482	3.3
109.10152	38.8
111.11729	7.7
113.09629	4.0
119.08588	14.0
121.10139	35.2
123.11710	28.1
127.11256	3.3
129.05452	4.0
133.10130	20.4
135.11708	14.0
136.46783	2.6
137.09644	3.4
137.13242	10.3
147.11676	16.2
149.13307	13.6
151.14812	6.2
161.13277	19.3
163.14796	17.5
165.16351	6.8
167.32460	2.8
175.14806	13.4
177.16350	4.4
179.17964	5.3
189.16422	4.4
209.00821	2.5
232.58511	2.7
245.22629	54.1
263.23706	58.1
315.89264	3.4
337.27353	37.0
355.28333	20.9
379.70276	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	355.1666
Annotation	CHEBI:70510
Peak:m/z	Relative Intensity
55.01863	3.2
55.05504	13.9
56.96558	11.9
59.66790	3.2
67.05504	20.6
68.05827	7.9
69.07045	6.6
71.58744	3.8
73.04744	3.9
79.05480	15.4
80.05843	8.2
81.03407	7.2
81.07041	18.2
82.07385	6.1
83.08605	4.4
91.05772	15.6
93.07045	16.8
94.07354	6.1
95.04947	5.9
95.08585	12.7
96.08924	6.0
97.10133	6.9
99.24048	3.2
100.07604	5.1
103.91108	3.2
105.06999	6.3
107.08578	13.3
108.08964	6.1
109.10164	9.0
110.10462	4.2
117.06963	3.7
121.10165	3.4
122.10419	4.3
123.08054	13.8
125.09618	9.0
131.08559	4.4
135.11694	6.0
137.13306	4.9
145.10052	4.3
149.13193	4.5
150.13684	3.4
182.56657	5.0
203.12799	9.2
245.21666	3.7
261.22217	4.8
263.22757	10.5
268.97806	5.5
283.97067	3.7
285.00876	5.1
307.13474	7.1
318.17990	3.9
338.31583	4.0
355.16611	100.0
355.34235	5.3
373.16733	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	355.2841
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03931	3.1
55.01859	4.0
55.05513	47.3
57.03434	10.9
57.07068	12.3
60.26049	2.6
65.03923	3.3
67.05503	79.2
69.07062	47.9
70.29272	12.3
71.04998	4.1
71.08616	6.7
71.10488	3.0
73.04722	3.0
79.05501	29.1
79.49905	2.7
81.07057	100.0
83.04955	4.8
83.08622	33.3
85.10149	3.5
91.05420	21.9
93.07043	36.0
95.04993	4.5
95.08613	80.9
96.08952	2.9
97.06527	8.5
97.10171	23.5
99.08099	4.8
105.07037	19.5
107.08591	25.5
109.10149	42.1
111.08073	6.4
119.08602	16.2
121.10140	31.6
123.11700	19.2
127.11183	3.3
133.10091	21.6
135.11684	20.2
135.64911	3.3
137.13246	10.5
147.11678	11.0
149.13278	13.3
151.14809	6.6
161.13266	15.4
163.14818	12.9
165.16457	5.1
175.14812	10.9
179.17960	4.3
186.62961	3.0
189.16403	4.8
245.22650	43.0
263.23676	40.3
264.23874	3.3
303.23593	3.7
333.17398	11.1
337.27463	26.1
355.28439	8.9
355.33994	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	354.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
60.58708	0.6
65.03926	1.7
70.56559	1.2
70.56955	1.3
76.03159	0.8
77.03934	1.1
83.58853	0.6
84.04508	0.7
84.08137	1.0
87.19257	0.6
89.03918	1.6
91.05474	32.3
93.07000	0.9
98.97578	0.6
105.00082	1.1
107.04952	1.0
117.03352	0.9
118.03679	0.8
119.04937	38.8
129.03365	0.7
130.06529	1.8
131.04944	0.7
132.02103	2.9
133.02881	0.7
134.98628	0.6
135.04413	0.9
136.05295	0.6
136.06181	2.7
136.07298	0.6
137.89534	0.6
138.24496	0.7
145.02827	2.5
146.03169	1.9
147.04408	35.8
149.02316	1.7
150.05527	1.3
152.06982	1.2
157.03979	2.8
164.04636	1.2
175.03906	58.1
177.05435	3.5
178.05972	3.2
179.07022	1.9
193.04948	1.0
207.06522	100.0
208.06941	1.0
281.12769	0.8
355.13644	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3365
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03901	0.9
55.05270	1.1
55.05511	13.9
56.05006	1.3
57.05800	2.1
57.06828	1.2
57.07077	14.8
58.02954	2.2
58.06601	17.9
60.04520	7.5
67.05501	9.2
67.41177	0.7
69.07068	21.3
70.02965	4.3
70.06592	8.1
71.04993	1.6
71.08630	9.1
71.56786	1.9
72.04510	2.4
72.08167	1.3
73.04727	1.0
73.05302	1.5
73.46125	0.8
74.06073	4.0
78.94778	0.8
79.05483	2.4
81.07055	15.6
82.06577	1.8
83.04960	1.7
83.08623	15.6
84.08133	5.5
85.10169	3.3
86.06070	5.6
87.06859	1.5
91.05798	2.6
93.02119	0.8
93.07065	4.0
95.08608	19.7
97.06542	1.1
97.10160	10.5
98.09682	2.0
107.08581	2.7
109.06503	1.6
109.10159	7.8
110.09733	0.9
111.11725	4.3
112.07578	1.0
114.09206	0.8
119.08562	1.3
121.10148	1.5
123.08088	1.2
123.11684	3.6
125.13292	1.7
137.13263	1.7
147.11757	0.9
185.04739	0.9
229.06117	0.8
264.92603	0.9
268.30005	2.1
268.97754	1.3
285.00986	1.5
294.31573	4.2
306.31598	3.4
307.29944	2.3
308.33157	4.1
312.32669	0.9
318.31387	1.5
326.34183	5.3
336.32620	15.1
337.31754	0.9
354.33655	100.0
355.34189	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	354.118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75512	1.0
56.81966	0.9
60.53401	1.1
69.07066	1.2
69.41746	7.2
69.42161	2.3
70.06615	1.9
72.08156	2.6
89.03910	1.5
91.05469	31.0
94.43353	1.2
95.04938	1.5
101.87798	0.9
119.04941	41.0
122.06038	1.3
124.03921	1.3
125.10980	1.0
130.06535	6.1
131.05002	1.0
131.06990	1.0
132.02101	1.6
134.06035	3.1
135.04439	1.5
136.07582	1.9
147.04396	35.8
148.06161	1.1
149.02367	1.8
150.05542	3.9
152.07069	3.9
157.04012	3.4
163.08693	2.1
164.04744	1.2
164.57326	1.2
175.03906	50.0
179.07011	4.7
207.06511	100.0
208.06970	2.7
225.08734	2.5
249.10599	1.1
254.15457	1.2
275.11850	1.5
281.12830	2.7
292.14111	1.4
354.14047	1.4
365.94473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.05514	12.4
57.03434	5.3
57.07058	5.2
65.03903	1.8
67.05506	82.3
69.07069	14.4
70.11863	8.5
71.04978	3.4
71.08624	2.2
78.63177	2.0
79.05064	3.6
79.05492	43.5
81.07056	100.0
83.08612	8.5
91.05485	26.5
93.06478	3.4
93.07046	62.2
95.04987	3.6
95.08607	68.2
97.06543	3.4
97.10175	5.1
105.07043	21.8
107.08592	41.3
109.10169	35.2
117.07034	10.1
119.08566	13.7
121.10152	35.1
123.11702	18.4
124.09269	2.2
131.08556	22.0
133.10139	14.2
135.11697	26.1
137.13232	9.7
145.10136	13.1
147.11679	8.7
149.13266	21.1
159.11665	14.4
161.13251	10.1
163.14822	9.7
173.13306	15.3
175.14774	3.1
177.16409	2.6
187.14833	10.8
201.16328	3.2
233.22643	4.6
239.42860	1.9
243.21098	19.6
261.22144	83.9
279.23230	5.5
335.25613	4.9
353.26996	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01867	3.6
55.05511	19.3
56.05852	2.5
57.03434	7.4
57.03690	1.6
57.07065	7.4
63.33720	1.5
65.03934	5.0
67.05502	89.3
68.05820	3.8
69.03419	2.6
69.05753	1.6
69.07064	16.7
69.44418	1.6
70.07371	2.3
70.52411	1.4
71.04996	3.4
71.08282	1.6
71.08619	9.4
71.58959	2.7
79.05487	49.5
80.05009	2.1
80.05824	3.4
81.07052	100.0
82.07396	6.2
83.04983	3.1
83.08620	10.2
84.04511	5.2
84.08132	2.6
85.02915	2.4
85.06544	4.1
85.10184	2.3
91.05478	31.1
92.05811	2.9
93.07039	70.3
94.07395	3.8
95.04965	7.8
95.08602	65.7
96.08910	2.5
97.06524	3.4
97.10177	5.7
99.08087	7.0
100.07590	2.8
105.07037	30.0
106.07349	3.4
107.08593	43.4
108.08936	3.3
109.06513	4.9
109.10153	28.5
111.08064	3.2
113.09629	2.0
117.06998	8.5
119.08569	17.5
121.09325	2.3
121.10156	33.7
122.10477	2.6
123.08077	5.1
123.11694	9.9
125.09657	1.8
126.05518	6.7
129.07007	3.9
131.08560	23.4
133.10123	13.4
134.10419	1.7
135.08031	3.6
135.11685	23.2
137.13283	4.8
138.05537	4.1
143.08607	4.1
145.10136	15.3
147.11659	10.9
148.12119	2.2
149.09622	3.1
149.13264	16.4
153.12793	2.1
155.08569	1.9
157.10104	2.8
159.11699	14.5
161.09604	2.2
161.13304	10.4
163.11163	2.2
163.14836	14.0
168.06660	1.7
169.10176	2.5
171.11670	2.4
173.13268	13.1
175.03989	2.1
175.14848	4.1
175.74969	1.5
177.12782	1.9
177.16463	3.6
179.14349	1.9
187.14857	8.7
189.16396	1.9
191.14417	2.2
197.13297	2.5
201.16478	3.0
204.08720	5.1
207.06511	6.9
233.22636	5.8
243.21054	21.7
261.22125	48.6
262.22604	1.8
273.78778	2.1
276.20233	3.2
279.22647	4.9
293.23029	10.1
295.20517	1.7
306.14764	2.0
335.26282	3.8
353.25574	14.8
354.19427	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.76445	1.4
51.39875	1.3
53.03929	4.0
55.01866	1.6
55.05504	16.4
57.03424	5.7
57.07063	3.4
59.03323	1.5
65.03941	2.6
67.05502	97.2
69.07065	16.0
69.34805	14.2
71.04975	2.7
71.08639	2.6
71.76355	1.4
76.49047	1.2
77.03906	1.2
79.05490	38.6
81.07054	100.0
81.73338	1.3
83.04960	2.2
83.08611	6.2
91.05480	20.2
93.07040	56.7
93.07634	3.0
95.04964	4.3
95.08601	74.0
97.06506	3.9
97.10139	3.9
99.08080	1.6
105.07029	18.4
107.08585	37.4
109.06527	2.1
109.10150	34.8
113.09617	1.8
116.19123	1.3
117.07024	10.2
119.08576	14.6
121.09311	2.5
121.10137	30.0
123.08043	2.3
123.11710	19.9
130.31619	1.3
131.08574	20.4
133.10143	13.6
135.11688	23.5
137.13242	8.5
145.10112	13.9
147.11673	11.2
149.13258	15.9
151.14868	2.0
159.11681	12.9
161.13254	8.2
163.14818	9.9
165.12669	2.5
166.86311	1.3
173.13211	12.9
175.14795	2.6
177.16383	5.2
187.14792	7.5
201.16367	3.0
215.17990	1.5
233.22697	3.7
243.21045	18.4
253.19156	1.3
261.22116	81.7
262.22485	3.3
279.23224	6.6
317.24695	1.4
335.25757	10.6
344.01196	1.6
353.26935	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.05509	14.0
57.03437	4.4
57.07064	4.9
65.03953	1.5
67.05503	96.7
67.38580	1.4
69.07058	14.0
71.04976	3.6
71.08627	2.6
79.05489	49.6
80.55392	1.2
81.07055	100.0
81.28703	1.5
83.08618	7.4
85.06540	2.6
91.05471	26.4
93.07040	68.1
95.04958	5.4
95.08602	71.3
97.06531	4.4
97.10149	3.9
99.08085	3.6
105.07024	20.4
107.07870	2.8
107.08586	44.9
107.42194	1.3
109.06520	1.7
109.10151	38.4
111.08099	1.9
113.09650	2.2
117.07010	10.1
119.08582	16.9
121.09315	2.4
121.10144	31.9
123.08039	2.9
123.11710	21.6
129.06979	1.5
131.08568	25.0
133.10112	17.7
135.11684	29.8
137.09593	1.5
137.13239	7.4
145.10109	17.8
147.11684	11.8
149.13249	20.8
153.12747	2.0
159.11678	16.3
161.13254	11.5
163.11263	1.9
163.14818	12.0
173.13246	19.7
175.14838	4.1
177.16428	4.0
187.14807	9.2
189.25548	1.4
191.14388	1.5
201.16368	4.3
215.18059	1.7
219.17607	1.6
233.22667	4.4
243.21074	22.4
243.23344	1.8
261.22125	99.1
279.23160	3.9
335.25720	4.7
353.26877	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	2.7
55.05509	15.8
57.03424	8.2
57.07065	6.1
65.03924	3.3
67.05504	99.6
69.07065	18.0
70.84188	5.0
71.04977	2.1
71.08615	6.4
75.04472	3.9
79.05490	56.9
79.05956	2.7
81.07057	100.0
82.07397	2.2
83.04950	3.6
83.08605	12.2
84.04493	7.5
85.06509	5.0
85.10185	2.5
91.05478	38.9
93.07040	78.6
93.76032	2.2
95.04968	6.6
95.08605	79.4
96.08984	1.8
97.06497	4.7
97.10120	3.6
99.08089	6.6
100.07578	4.3
105.07034	25.1
107.08596	46.7
109.06516	3.5
109.10147	27.5
109.76740	1.7
111.08061	2.6
117.06993	12.5
119.04881	2.6
119.08574	15.3
121.10146	36.3
123.08041	2.5
123.11683	13.1
126.05530	4.6
131.08553	22.7
132.14966	1.9
133.10143	15.3
135.07979	2.1
135.11673	28.0
137.09648	2.4
137.13222	9.5
138.05444	4.3
145.10123	18.6
147.04410	3.0
147.11665	12.4
149.09613	2.8
149.13229	20.9
151.14877	3.8
155.54910	2.2
159.11696	14.5
161.13249	9.6
162.12898	1.9
162.23439	2.2
163.11244	2.3
163.14757	16.8
173.13251	17.3
175.03876	3.1
175.14819	3.0
177.16383	7.6
179.14305	2.0
187.14835	11.6
201.16339	4.6
204.08641	3.0
207.06523	6.8
208.13297	3.2
233.18921	2.0
233.22636	7.1
243.21088	26.4
244.21161	2.3
261.22141	71.4
279.23218	4.6
293.22894	2.4
335.25699	7.4
353.26593	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.01851	2.0
55.05510	11.9
57.03425	5.3
57.07070	6.2
65.03928	3.1
67.05507	94.3
68.05828	2.0
69.07066	13.4
69.87886	11.8
71.08628	4.4
73.74274	2.1
79.05495	60.7
81.07056	100.0
83.04959	2.4
83.08627	5.0
85.06533	6.0
91.05486	31.5
93.07040	71.9
93.07634	3.5
95.04971	3.4
95.08607	74.9
97.06527	3.3
97.10133	2.4
99.08089	4.8
99.90254	2.2
105.07035	25.3
107.08598	44.1
109.10157	30.2
113.09677	4.0
117.07008	12.1
119.08556	13.4
121.10139	33.7
123.08054	2.1
123.11689	15.4
131.08554	24.6
133.10091	13.2
135.11694	27.7
137.09731	2.1
137.13240	6.8
145.10138	17.8
147.11710	13.7
149.13263	22.0
151.14760	2.8
159.11705	16.0
160.84691	2.1
161.13274	11.4
163.14818	16.7
171.25949	2.1
173.13287	17.5
175.14780	3.5
177.12720	2.0
177.16380	6.9
185.69705	1.9
187.14848	12.4
191.14220	3.7
201.16292	4.8
233.19115	3.0
233.22681	8.1
243.21019	28.3
245.21524	2.5
261.22128	86.9
335.25708	4.2
353.26556	3.0
364.17227	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	5.1
55.05509	14.9
56.26297	1.8
56.63614	1.7
57.03427	7.0
57.07077	2.9
65.03917	3.4
65.96747	1.6
67.05502	97.6
67.55887	2.0
69.07068	12.9
69.47174	16.7
71.04981	3.7
79.05492	45.4
81.07054	100.0
83.08614	8.3
85.06526	2.2
88.51466	1.8
91.05482	19.6
93.07043	59.8
95.04967	3.4
95.08604	76.7
97.06548	2.1
97.10179	2.5
105.07030	12.1
107.08594	40.5
109.06492	3.4
109.10154	44.5
117.06988	11.9
119.08569	16.1
121.10143	28.7
123.08039	2.4
123.11703	25.7
131.08553	23.3
133.10161	14.8
135.11705	23.3
137.13261	8.2
139.11145	2.2
145.10120	12.8
147.11661	12.1
149.13235	19.9
151.14780	2.3
159.11684	11.1
161.13222	9.0
163.14812	13.6
173.13281	14.6
175.14812	3.1
177.16389	4.3
187.14807	10.6
201.16447	2.4
227.40114	1.8
233.22585	3.7
243.21118	16.6
261.22137	82.2
262.22281	2.3
279.23206	5.3
335.25778	8.0
353.27042	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.05511	10.7
57.03430	4.8
57.07068	5.2
58.10833	1.5
65.03921	2.7
67.05504	89.1
69.07062	14.6
70.21428	3.8
70.21820	6.2
71.04997	3.3
72.12434	1.6
79.05492	49.6
81.07054	100.0
82.38571	1.7
83.08624	7.1
85.06551	2.9
91.05473	25.2
93.07043	65.2
93.07635	3.7
95.04982	4.0
95.08603	68.5
97.06505	4.2
97.10157	2.5
98.20767	1.9
99.08126	2.5
105.07025	18.4
107.08588	36.5
109.10151	37.9
111.08075	2.7
117.07020	8.0
119.08566	15.7
121.10152	29.1
123.11719	16.2
131.08560	22.0
133.10136	14.1
135.11682	24.8
137.13266	6.6
139.11194	2.1
145.10124	15.0
147.11671	12.1
149.13242	20.5
151.14807	3.4
159.11705	13.9
161.13277	8.7
163.14824	13.9
173.13261	15.0
174.30406	1.7
175.14874	4.1
177.12782	1.8
177.16319	4.5
187.14824	7.7
201.16376	4.4
218.87489	1.7
221.31514	1.8
233.22649	3.1
243.21075	16.6
248.93283	1.7
261.22125	85.0
262.22595	2.5
279.23022	2.6
335.25870	5.2
353.26855	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.05510	13.8
57.03436	4.0
57.07061	6.7
59.40346	1.5
65.03931	2.5
67.05504	100.0
69.07073	13.7
69.16082	1.5
69.85310	8.4
71.04996	2.6
71.08612	3.2
75.04472	1.5
79.05494	59.0
81.07057	99.8
83.04977	1.7
83.08632	7.6
85.06541	4.6
85.10188	1.8
91.05476	23.4
93.07042	70.8
95.04967	5.9
95.08609	62.3
97.06532	1.4
97.10151	1.5
98.21471	2.8
99.08073	3.5
105.07029	22.6
107.08588	44.5
109.06519	3.5
109.10150	29.6
109.10832	2.3
113.09669	1.8
117.07030	8.6
119.08584	16.0
119.19615	1.3
121.10149	32.1
123.08097	1.7
123.11703	11.5
131.08562	26.1
133.10120	9.3
135.11687	24.9
137.09593	1.6
137.13240	8.3
145.10114	19.2
147.11700	11.5
149.13264	21.0
151.14824	4.1
153.12773	1.6
159.11691	12.1
161.13280	9.9
163.14822	14.9
173.13271	15.0
175.14766	2.3
177.16437	4.8
179.14218	2.3
187.14880	9.8
191.14290	2.1
201.16359	2.9
233.22675	6.1
243.21120	24.9
261.22125	64.6
262.22623	1.6
263.23877	1.5
279.23187	3.4
335.25946	7.1
340.45499	1.6
353.26865	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01869	1.0
55.05264	1.4
55.05511	16.9
57.03427	6.5
57.07079	4.6
65.03944	2.8
67.05502	99.5
68.00261	1.0
69.07066	11.5
71.04978	2.5
71.08633	1.2
75.04473	2.0
77.03926	1.1
79.05489	46.3
81.07053	100.0
83.04958	1.0
83.08617	7.9
84.63462	0.8
85.06531	1.9
91.05481	21.0
93.07038	56.5
95.04971	4.7
95.08602	77.6
97.06536	3.1
97.10158	4.2
99.08091	2.0
102.14212	0.7
105.07030	15.8
107.08587	33.0
109.06528	1.5
109.10151	35.6
111.08088	2.1
113.09647	1.5
113.36908	0.9
117.07017	9.2
119.07775	1.6
119.08562	15.0
121.10134	27.4
123.08050	1.3
123.11703	22.4
125.09614	1.0
131.08560	21.0
133.10124	12.8
135.11685	22.9
137.09616	1.8
137.13249	7.1
139.11188	1.6
145.10126	13.7
147.11664	11.2
149.13258	18.1
150.13501	0.9
151.11218	1.5
151.14845	3.1
153.12758	1.8
159.11687	16.2
159.27171	0.8
161.13257	8.7
163.14825	10.8
165.12743	1.5
173.13260	14.9
175.14809	2.3
177.12688	1.7
177.16393	3.6
179.14349	2.1
187.14815	9.5
189.16441	1.7
191.14255	1.9
201.16364	2.6
205.15836	1.1
233.22649	3.9
243.21059	17.1
261.22119	85.7
262.22449	2.0
279.23187	6.3
317.24612	1.3
335.25699	7.4
353.26865	17.0
354.26840	1.0
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
52.32695	1.1
52.42200	1.1
53.03939	2.8
55.01855	1.3
55.05254	1.6
55.05503	13.1
57.03431	6.0
57.07059	4.4
57.21437	0.9
65.03928	2.9
67.05499	96.8
69.07055	11.4
71.04983	2.5
71.08618	1.8
79.05486	41.1
81.07051	100.0
83.04952	1.7
83.08604	7.6
85.06548	2.1
91.05466	19.4
93.07040	54.2
95.04945	4.0
95.08600	70.4
97.06513	3.1
97.10162	3.1
99.08096	1.7
105.07028	15.9
107.08589	31.0
109.06553	1.7
109.10150	36.5
111.08065	1.5
111.11684	1.4
113.09620	1.8
117.07017	8.8
119.08586	14.4
119.09377	1.8
121.10135	26.9
123.11708	16.9
125.08231	1.1
125.09585	1.2
131.08565	17.4
133.10121	12.0
135.11682	24.5
137.13237	7.8
139.11128	1.2
145.10109	13.4
147.11679	7.9
149.09608	1.2
149.13249	14.8
151.14804	3.6
153.12732	1.3
159.11694	11.2
161.13187	6.3
163.11198	1.6
163.14786	11.0
173.13239	12.9
175.14838	2.8
177.16367	4.3
179.14345	2.1
187.14795	7.7
190.57651	1.1
190.59502	1.1
201.16412	1.7
205.15942	1.1
219.17505	1.5
233.22569	3.4
243.21069	13.3
261.22110	71.3
279.23154	6.7
320.76471	1.2
335.25790	8.3
353.26859	15.5
359.48065	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.05512	63.1
57.03434	11.4
57.07062	16.1
67.05503	59.1
69.07070	50.4
69.46783	37.8
71.04974	5.7
71.08614	17.3
79.05501	26.2
81.07054	84.4
83.04979	91.7
83.08615	18.0
85.06546	5.9
85.40689	4.0
91.05473	13.2
93.07047	43.8
95.04958	4.9
95.08607	69.4
97.06548	14.4
97.10197	10.9
98.21519	4.2
99.08038	4.4
105.07040	12.4
107.08600	34.8
109.06547	21.2
109.10165	35.2
111.04442	19.2
111.08081	14.8
116.94318	4.1
117.06998	5.1
119.08591	9.2
121.10153	31.0
122.65177	4.4
123.08070	11.0
123.11702	21.8
125.05994	19.6
125.09623	12.4
131.08586	11.6
133.10121	17.3
135.11681	25.1
139.07542	6.3
141.12726	7.2
145.10104	12.8
147.11723	6.7
149.13258	14.1
159.11703	13.1
163.11234	6.5
163.14806	6.9
165.18774	4.1
169.15878	10.2
173.13252	7.0
177.12807	6.2
177.16338	5.7
180.24646	4.2
181.12222	6.9
183.13844	13.1
187.14842	4.9
195.13824	7.2
202.04430	4.6
205.19490	6.6
215.17960	8.9
223.20560	95.9
224.21059	5.6
233.19037	23.2
243.21068	8.5
251.20027	58.3
251.23657	7.5
254.26485	4.7
261.18549	5.4
261.22144	19.9
279.19592	100.0
297.20636	31.9
353.23099	29.1
353.26721	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	353.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
57.03445	0.9
58.06594	0.7
59.91262	0.7
60.60062	0.7
66.10400	0.9
67.05489	1.4
69.03430	1.3
81.07047	1.7
83.04979	0.8
84.04501	1.9
84.08138	1.2
85.02882	1.3
91.05472	2.4
93.07037	2.8
95.04967	0.8
95.08579	1.4
105.07020	1.2
107.08585	1.6
111.04453	1.2
117.07010	0.9
119.04935	2.6
119.08489	0.8
121.10144	3.9
122.43505	0.8
126.05441	0.9
145.10197	0.8
145.43669	0.9
147.04375	2.5
175.03932	4.0
207.06461	6.1
208.13275	3.9
232.09857	0.8
335.21365	0.9
353.22964	100.0
354.19089	3.6
354.23300	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	353.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	2.4
55.01872	7.1
55.05506	23.0
57.03423	2.7
57.07059	5.4
59.96108	2.4
67.05507	34.3
68.99790	3.6
69.07064	9.8
71.53378	2.5
73.06548	11.9
79.05480	18.4
81.03412	5.8
81.07053	27.9
83.04964	18.8
83.08625	2.8
91.05485	20.1
93.07034	20.5
95.04973	14.2
95.08620	20.6
97.06534	2.5
97.10204	3.0
98.21543	5.3
105.07045	15.8
107.04958	4.1
107.08566	15.4
109.06474	5.9
109.10141	11.6
111.04473	2.7
111.99963	2.5
117.07017	5.5
119.08578	13.5
121.06535	3.9
121.10133	8.3
122.06701	2.9
123.04433	53.0
123.11695	4.5
131.08565	9.6
133.10126	14.2
135.11687	5.9
137.06010	6.1
145.10109	7.6
147.08066	4.8
149.05923	3.1
149.09641	3.3
149.13231	3.6
151.07608	3.9
151.11246	3.9
161.09544	2.9
161.13213	3.5
163.07399	2.9
165.09151	8.7
173.13252	6.0
177.12784	3.2
179.06979	6.6
187.11169	2.9
193.04977	3.0
201.12831	3.2
205.12259	3.3
219.13754	15.4
235.13292	13.8
247.13333	8.5
261.18442	10.2
261.22043	6.6
271.16940	6.3
279.15906	11.1
289.17984	100.0
321.20590	65.3
353.14886	2.9
353.23840	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	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01862	2.6
55.05501	3.0
56.94286	0.8
57.03422	2.5
57.07066	2.0
60.00458	0.8
60.05638	1.6
64.41674	0.8
67.05492	3.9
69.03087	1.1
69.03426	15.0
69.07062	11.3
70.06584	2.5
71.04990	1.2
71.57433	1.1
72.08154	6.0
73.02908	2.1
79.05482	5.6
81.03394	4.8
81.07056	4.1
83.04977	5.9
83.08607	2.2
84.08131	3.8
85.02904	12.9
89.03928	1.4
91.05476	13.3
93.07043	11.5
95.04974	2.3
95.08596	6.9
97.02879	7.0
97.06525	9.0
97.07615	1.3
98.06071	1.3
98.09713	1.3
99.04454	1.8
100.07624	2.9
103.05451	1.2
105.07027	8.6
107.04939	2.4
107.08591	24.4
109.02863	1.5
109.06516	2.8
109.10168	2.4
111.04432	1.0
114.10289	2.8
115.08677	1.3
117.03362	3.0
117.06977	1.4
119.04935	6.2
119.07796	1.7
119.08583	20.5
120.08089	1.3
121.06512	10.3
121.10132	25.3
123.08044	2.7
127.03933	4.3
128.06177	1.0
129.07051	1.0
131.08580	6.9
131.12889	1.5
133.06477	1.2
133.10126	17.0
135.04399	1.3
135.08052	11.1
135.11670	10.5
136.06158	2.1
137.09619	6.8
137.71155	1.0
143.08598	2.1
144.09268	1.0
145.02847	8.3
145.10110	4.8
147.04393	6.0
147.08018	1.7
147.11678	15.8
149.05984	1.4
149.09598	3.3
149.13251	9.0
157.10985	1.2
158.10905	2.4
159.07973	1.2
159.10228	0.9
159.11742	1.3
161.09605	2.5
161.13185	1.9
163.03847	2.6
163.14809	11.8
167.07091	1.4
171.11688	1.1
173.13261	15.9
175.03876	9.3
175.14812	12.4
177.04039	1.6
177.05473	16.8
177.06966	0.7
177.12642	1.2
178.05820	1.8
189.12868	1.0
191.14301	100.0
192.14693	2.1
193.15947	0.9
203.14366	1.4
207.06523	15.4
209.15312	3.4
215.14293	1.2
221.12267	1.3
223.05980	1.6
263.07382	0.9
276.12402	1.1
287.16415	1.4
289.11975	0.9
298.24619	1.0
321.11401	1.2
335.18326	2.9
353.13559	1.0
353.15042	1.1
353.19678	22.1
353.32657	1.9
354.16272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20535	1.9
55.01876	3.8
55.05508	2.6
62.36623	2.3
62.99051	1.9
67.05492	6.3
69.03419	5.2
70.06590	2.9
71.58558	3.6
72.08154	5.6
78.04700	3.1
79.05496	18.1
81.03418	3.7
81.07045	5.5
82.06569	2.3
84.08142	8.7
86.09711	3.6
90.92955	1.8
91.05494	15.0
93.07056	4.8
95.04969	8.7
95.08607	4.1
97.06520	2.4
97.36522	2.0
98.09708	2.2
100.07620	5.6
102.04716	2.4
103.05464	12.5
105.07025	8.9
107.04956	24.8
107.08610	3.4
109.06535	2.5
109.10146	2.3
115.05443	4.6
117.03397	2.7
117.07012	3.3
118.04169	12.2
119.04911	4.1
119.08594	11.0
120.08110	4.8
121.10098	2.2
123.04396	3.3
124.05219	5.7
125.06013	4.2
127.77327	2.0
128.06262	4.2
129.07022	2.5
129.13759	2.2
130.04149	6.7
131.04926	20.7
132.05742	3.5
133.06487	4.4
133.10150	4.3
135.04439	2.2
136.06219	4.8
137.05981	3.3
137.09634	2.6
141.06860	4.4
141.79141	1.8
145.02867	3.1
145.06497	2.8
145.10114	3.0
146.03630	2.3
147.04407	14.3
147.08017	6.2
148.05188	3.4
159.08090	5.6
160.05174	2.7
161.06003	7.7
163.03944	2.2
165.06923	2.2
167.04922	3.7
167.07040	84.9
168.05702	2.3
171.08044	3.5
173.05960	2.8
175.03825	2.9
176.04729	13.1
177.05399	9.6
178.36516	2.0
179.07007	3.9
179.08556	3.4
184.05197	6.0
189.07011	9.1
190.07733	9.3
191.07021	100.0
192.07703	2.2
199.07539	20.6
202.07793	8.8
203.08498	13.3
205.06566	3.8
205.10194	3.9
207.08147	5.5
215.08568	15.1
217.06606	2.8
218.07272	21.0
219.08096	11.9
221.09644	2.4
229.06487	6.9
231.08090	15.9
232.08842	9.4
233.06041	2.5
233.09610	21.3
234.06862	2.4
235.07520	10.5
243.08105	8.9
245.05928	3.3
246.06754	17.0
247.07558	7.1
247.11348	2.7
249.09134	7.6
250.06403	3.8
250.09247	9.0
257.05972	6.8
258.06790	2.7
259.07684	5.4
260.08319	10.8
261.09131	45.5
261.11945	2.5
262.06314	2.6
262.09775	6.0
263.07031	16.6
263.10715	3.2
264.07437	2.7
265.12357	4.4
271.07834	3.9
272.08218	2.3
273.09238	3.0
274.06314	9.5
275.06995	7.6
275.10803	1.9
276.07773	3.6
277.08759	10.4
278.09421	16.3
279.11771	11.0
287.07092	1.9
288.07938	4.8
289.08572	47.8
290.09357	13.8
291.06586	6.7
291.10083	4.0
292.07318	4.3
292.10599	2.6
293.11734	21.2
303.10153	2.7
305.08255	3.4
306.08765	15.6
307.09595	10.4
309.11285	2.2
321.11194	77.5
322.11945	7.5
323.09076	4.6
325.14343	6.7
338.11417	5.3
353.14087	84.0
353.20639	4.3
353.33020	5.0
354.13956	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	353.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20535	1.9
55.01876	3.8
55.05508	2.6
62.36623	2.3
62.99051	1.9
67.05492	6.3
69.03419	5.2
70.06590	2.9
71.58558	3.6
72.08154	5.6
78.04700	3.1
79.05496	18.1
81.03418	3.7
81.07045	5.5
82.06569	2.3
84.08142	8.7
86.09711	3.6
90.92955	1.8
91.05494	15.0
93.07056	4.8
95.04969	8.7
95.08607	4.1
97.06520	2.4
97.36522	2.0
98.09708	2.2
100.07620	5.6
102.04716	2.4
103.05464	12.5
105.07025	8.9
107.04956	24.8
107.08610	3.4
109.06535	2.5
109.10146	2.3
115.05443	4.6
117.03397	2.7
117.07012	3.3
118.04169	12.2
119.04911	4.1
119.08594	11.0
120.08110	4.8
121.10098	2.2
123.04396	3.3
124.05219	5.7
125.06013	4.2
127.77327	2.0
128.06262	4.2
129.07022	2.5
129.13759	2.2
130.04149	6.7
131.04926	20.7
132.05742	3.5
133.06487	4.4
133.10150	4.3
135.04439	2.2
136.06219	4.8
137.05981	3.3
137.09634	2.6
141.06860	4.4
141.79141	1.8
145.02867	3.1
145.06497	2.8
145.10114	3.0
146.03630	2.3
147.04407	14.3
147.08017	6.2
148.05188	3.4
159.08090	5.6
160.05174	2.7
161.06003	7.7
163.03944	2.2
165.06923	2.2
167.04922	3.7
167.07040	84.9
168.05702	2.3
171.08044	3.5
173.05960	2.8
175.03825	2.9
176.04729	13.1
177.05399	9.6
178.36516	2.0
179.07007	3.9
179.08556	3.4
184.05197	6.0
189.07011	9.1
190.07733	9.3
191.07021	100.0
192.07703	2.2
199.07539	20.6
202.07793	8.8
203.08498	13.3
205.06566	3.8
205.10194	3.9
207.08147	5.5
215.08568	15.1
217.06606	2.8
218.07272	21.0
219.08096	11.9
221.09644	2.4
229.06487	6.9
231.08090	15.9
232.08842	9.4
233.06041	2.5
233.09610	21.3
234.06862	2.4
235.07520	10.5
243.08105	8.9
245.05928	3.3
246.06754	17.0
247.07558	7.1
247.11348	2.7
249.09134	7.6
250.06403	3.8
250.09247	9.0
257.05972	6.8
258.06790	2.7
259.07684	5.4
260.08319	10.8
261.09131	45.5
261.11945	2.5
262.06314	2.6
262.09775	6.0
263.07031	16.6
263.10715	3.2
264.07437	2.7
265.12357	4.4
271.07834	3.9
272.08218	2.3
273.09238	3.0
274.06314	9.5
275.06995	7.6
275.10803	1.9
276.07773	3.6
277.08759	10.4
278.09421	16.3
279.11771	11.0
287.07092	1.9
288.07938	4.8
289.08572	47.8
290.09357	13.8
291.06586	6.7
291.10083	4.0
292.07318	4.3
292.10599	2.6
293.11734	21.2
303.10153	2.7
305.08255	3.4
306.08765	15.6
307.09595	10.4
309.11285	2.2
321.11194	77.5
322.11945	7.5
323.09076	4.6
325.14343	6.7
338.11417	5.3
353.14087	84.0
353.20639	4.3
353.33020	5.0
354.13956	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	353.0844
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
50.06710	4.7
50.56831	4.4
52.11905	4.6
52.94745	5.6
70.58727	10.7
70.59077	12.5
73.19567	4.4
77.33018	4.6
79.17786	4.7
79.68284	4.3
81.24317	4.4
84.63022	4.5
85.02914	12.4
97.02935	6.9
127.04031	5.7
245.05122	8.4
353.08508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0867
Annotation	4-Methylumbelliferone glucuronide
Peak:m/z	Relative Intensity
50.01395	0.2
50.91610	0.2
55.01868	1.0
57.03432	0.3
63.02374	0.5
65.24345	0.2
66.49375	0.3
67.05477	0.6
69.03435	0.9
69.54719	1.8
70.06566	0.3
71.01344	0.3
77.03911	0.3
78.04697	0.4
79.05481	0.7
81.07035	0.9
84.08141	0.6
85.02908	0.9
86.09206	0.2
89.03912	6.9
91.05478	5.1
93.07027	1.4
95.01332	0.9
95.04950	0.6
95.08614	0.8
97.02856	0.4
98.09654	0.2
100.07616	0.4
101.77324	0.2
103.05476	0.6
105.03406	0.4
105.07034	1.0
106.04136	0.4
107.08592	0.5
109.06504	0.3
109.10121	0.4
111.08086	0.3
114.02834	0.3
117.03378	21.9
117.06996	1.0
119.08582	7.9
119.09447	0.4
121.06480	0.3
121.10136	0.6
123.00690	0.3
123.11701	0.5
124.05173	0.3
129.07047	0.5
129.10275	0.3
132.02225	0.3
134.03604	1.7
135.04401	1.5
137.05988	0.6
141.01793	1.9
143.03343	0.3
145.02843	54.5
146.03146	0.8
147.04390	0.4
147.08029	3.5
149.05981	7.2
149.13264	0.5
158.06029	0.3
161.05954	0.4
162.03191	0.5
162.06738	0.5
163.03847	0.4
163.14809	0.4
165.09100	0.6
171.02844	0.3
175.04056	0.3
177.05467	100.0
178.05850	2.7
185.05835	0.2
186.05562	0.6
189.05460	0.4
203.06898	0.3
257.97620	0.3
260.06763	2.0
287.49530	0.3
312.48984	0.3
321.10880	0.3
353.08603	3.9
353.12601	0.5
353.32712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
53.65989	1.9
55.01866	7.4
55.05516	33.6
56.05031	6.4
57.03430	8.0
58.06594	5.4
60.04531	16.9
60.08149	2.3
61.02000	1.9
61.30117	2.2
66.13124	2.1
67.05505	57.2
68.05032	3.9
68.05835	6.2
69.03435	4.2
69.06727	3.5
69.07075	40.5
70.06593	4.7
70.07419	3.1
71.04996	3.0
71.08644	10.5
79.05496	39.8
80.05018	43.0
80.05791	4.6
81.03426	6.2
81.07055	51.5
82.06586	7.7
82.07394	5.8
83.04980	7.7
83.08625	11.7
84.04510	6.6
84.08144	5.4
85.06538	2.7
86.09717	6.6
91.05485	45.0
92.05831	5.6
93.07045	46.1
94.06576	19.7
94.07375	9.7
95.04978	15.6
95.07352	4.0
95.08611	33.2
96.04513	2.7
96.08154	3.0
96.08958	7.2
97.06536	2.3
97.10191	13.0
98.06045	3.5
99.08104	4.1
100.07595	2.2
103.05510	2.8
105.07033	40.3
106.06555	2.6
106.07351	4.5
107.04966	5.9
107.08595	39.8
108.08127	10.3
108.08937	6.3
109.06516	7.0
109.10116	11.7
110.06068	2.7
110.10487	3.0
111.08097	3.2
117.07047	9.6
119.08588	33.9
120.08114	5.5
120.08938	6.2
121.06496	2.1
121.10146	20.9
122.09695	4.4
122.10491	5.4
123.08083	6.3
123.11735	6.6
125.00012	6.1
125.09647	9.1
126.05502	4.2
128.07086	3.2
129.07016	6.3
131.08551	13.3
133.10139	23.9
134.09624	4.3
134.10509	2.9
135.07982	3.5
135.11723	12.0
135.89154	2.2
136.11218	5.7
136.12111	4.7
137.09628	3.3
138.06337	3.0
138.12769	2.5
143.08511	3.0
145.10120	10.8
146.10493	2.8
147.11667	17.0
149.09607	7.3
149.13257	6.3
151.11211	3.9
153.09135	2.5
154.12291	3.8
154.95596	2.2
155.08586	2.6
157.10139	3.1
159.11688	10.7
161.13251	9.0
162.13692	3.9
163.11195	5.6
163.14813	2.9
165.12753	3.0
171.11679	2.9
173.13246	3.3
176.14310	2.3
177.12761	3.0
179.14297	11.3
180.14676	3.9
183.11757	2.5
184.07323	19.4
186.61011	2.0
189.11246	9.0
192.13826	4.8
198.15015	2.5
204.13852	23.0
206.15465	8.0
206.75357	2.2
210.14955	5.2
222.14900	29.9
223.15654	5.8
224.16483	9.6
236.16603	2.6
239.18036	2.5
242.19835	4.4
257.19031	13.3
260.20871	15.1
264.23453	2.5
272.20135	3.5
274.21692	25.6
275.20074	40.5
278.21976	8.1
290.21255	8.6
292.22720	100.0
310.23984	3.0
316.22650	5.1
334.23792	20.4
352.25018	62.5
353.16830	2.4
353.25546	2.5
378.54178	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01863	6.8
55.05509	27.3
56.05024	7.0
57.03446	9.2
57.07066	3.2
57.38759	1.8
58.06602	4.6
60.04521	19.1
60.08176	1.9
65.03931	2.0
67.05503	56.3
68.05043	3.1
68.05830	4.9
69.03431	4.3
69.07068	40.0
69.44665	2.0
70.06575	2.3
70.07391	2.3
71.04989	4.5
71.08631	10.0
71.57393	2.5
71.57803	2.9
72.08159	2.2
72.08967	3.3
78.89151	1.7
79.05491	53.6
80.05015	40.8
80.05811	7.0
81.03419	6.8
81.07050	47.8
82.06593	4.4
82.07393	9.4
83.04982	9.2
83.08619	18.2
84.04499	6.0
84.08125	4.1
85.06513	2.1
86.09711	5.2
91.05476	40.6
92.05026	2.3
92.05790	4.5
93.05809	2.7
93.07043	43.0
94.06561	21.8
94.07381	10.0
95.04971	13.8
95.07360	3.3
95.08603	33.6
96.08112	3.0
96.08940	5.7
97.06526	7.1
97.10180	12.7
98.09649	1.9
99.08112	5.5
100.07619	2.1
100.08302	1.8
105.07028	43.0
106.06564	5.3
106.07343	5.2
107.04944	3.1
107.08588	42.0
108.08126	7.6
108.08921	4.0
109.06512	5.6
109.10133	12.1
110.06870	2.1
110.09685	2.0
111.08064	4.5
117.06979	9.7
117.10151	1.8
119.08566	30.0
120.08110	3.5
120.08881	4.0
121.10133	23.8
122.09676	3.8
122.10470	3.3
123.08087	6.4
123.11749	3.9
124.11245	2.0
125.09628	8.3
129.07007	3.9
131.08543	14.6
132.08928	2.8
133.10123	24.1
134.09573	3.3
134.10474	3.6
135.08078	3.8
135.11684	12.2
136.11127	3.1
136.12030	4.6
137.05968	4.7
137.09602	5.3
143.08559	3.8
145.10141	13.3
147.11649	14.5
148.11093	3.4
148.12134	4.0
149.09573	5.6
149.13223	5.0
150.13686	2.4
151.11177	4.4
153.09108	2.1
154.12263	7.8
157.10146	3.9
159.11714	7.7
161.13225	9.1
162.13622	4.3
163.11218	5.5
164.11609	2.1
171.11693	3.2
172.13373	4.4
173.13246	4.6
177.12769	7.6
179.14316	7.8
180.13802	1.8
180.14691	3.5
183.11647	4.0
184.07416	10.5
187.10989	2.2
189.11217	3.8
192.13840	5.8
197.13249	3.7
204.13872	22.4
205.12329	2.1
206.15480	7.2
207.06433	4.1
210.14899	4.5
222.14854	34.9
223.15515	2.7
224.16412	7.4
235.08762	1.9
236.16599	3.2
239.17870	3.1
242.19836	4.5
242.48358	1.9
257.19113	11.4
259.08493	1.9
259.20569	2.2
260.20840	13.0
265.98663	2.1
266.91425	2.1
272.20013	4.4
274.21625	23.8
275.20016	46.7
277.21277	1.9
278.18491	1.8
278.21945	9.5
287.78366	2.1
290.21155	6.0
292.22696	100.0
293.23288	3.4
316.22662	4.7
334.23691	15.2
352.24994	68.1
353.25168	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72891	2.5
51.74071	2.8
53.03933	6.4
55.01877	4.5
55.05515	26.7
57.03434	23.6
57.07071	32.3
67.05502	59.1
69.07059	26.7
71.08630	12.8
71.58458	3.8
73.58192	2.3
79.05070	3.4
79.05492	47.6
81.03429	17.4
81.07054	54.1
83.04984	15.7
83.08617	11.9
85.10181	81.0
85.42848	2.6
91.05471	52.4
92.68293	2.9
93.07035	50.1
95.04958	21.2
95.08054	4.3
95.08610	54.2
96.08916	3.1
97.06506	7.0
97.10158	6.3
99.08101	10.9
105.07027	40.4
107.04947	31.6
107.08601	28.0
109.06486	6.6
109.10146	12.6
111.08105	3.8
113.06007	2.9
113.09639	100.0
117.07009	7.0
117.14481	2.5
119.08568	25.3
121.10150	21.3
123.08060	10.1
123.11758	4.0
129.07011	9.3
131.08559	9.9
133.10150	19.9
135.08092	3.8
135.11703	15.4
137.09663	4.3
143.08549	5.1
145.10138	8.7
147.08037	4.7
147.11681	29.7
148.67210	2.8
149.09648	15.6
149.13272	9.0
151.11177	8.1
157.10085	4.0
159.11639	4.8
161.13251	17.6
163.11191	18.2
163.14830	5.0
165.12749	68.8
167.14247	3.0
171.11662	5.1
175.11201	8.3
175.14851	9.1
179.14250	10.1
181.12160	5.1
182.12834	3.0
185.13309	6.1
187.13263	3.0
197.11745	4.2
199.14685	3.5
221.15405	3.6
231.21112	3.9
241.19518	10.8
259.20554	27.0
277.21573	36.7
351.25211	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72049	3.3
53.03934	6.2
55.05521	32.2
57.03438	51.2
57.07066	3.4
65.03951	4.5
65.69145	3.1
67.05170	6.2
67.05505	72.4
67.73601	3.5
68.05849	4.4
69.07068	22.8
69.88173	9.0
69.88583	10.3
79.05494	80.6
81.07053	100.0
83.04967	4.3
83.08629	19.6
85.06547	11.0
91.05478	54.9
93.07044	91.8
95.04979	11.9
95.08605	60.7
95.09176	5.9
97.06565	6.8
97.10162	5.4
99.08117	5.8
105.07033	49.4
107.08592	51.2
107.30449	3.2
109.06509	7.5
109.10163	18.0
111.08111	6.9
117.07030	15.4
119.08570	51.3
121.10143	44.3
123.07994	4.0
123.11658	4.1
125.09661	3.3
129.07010	7.8
131.08585	23.2
133.10121	41.5
135.11681	35.5
143.08598	9.2
145.10135	24.6
146.10544	3.8
147.11693	43.4
149.09586	3.6
149.13252	30.9
157.10132	7.5
159.11729	18.7
159.99644	3.4
161.13254	26.8
163.11125	7.0
165.12762	3.7
171.11710	8.1
173.13257	7.3
175.14853	9.9
185.13310	10.7
187.14777	9.1
199.14847	6.6
205.16020	5.3
213.16479	4.8
221.19026	7.0
231.21002	4.0
241.19568	21.7
259.20551	56.5
277.21600	19.5
333.24094	5.6
351.25333	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77544	1.8
53.03953	3.3
55.01868	6.2
55.05511	24.5
57.03439	16.4
57.07072	4.3
65.03944	3.2
67.05504	59.6
69.02471	1.7
69.03441	2.2
69.07065	18.1
70.81396	6.5
71.04978	2.4
71.08629	57.0
71.09008	4.0
79.05489	52.3
81.03418	8.7
81.07053	59.5
83.04985	10.2
83.08159	1.8
83.08604	10.7
85.06555	2.6
87.57868	2.2
91.05482	38.2
93.07043	70.9
93.07633	4.0
95.04971	16.4
95.08604	46.8
97.06544	10.4
97.10177	4.7
99.08096	35.6
105.07030	25.8
107.04953	9.2
107.08595	35.5
109.06508	6.2
109.10142	14.9
111.08070	5.4
113.09659	5.6
117.07037	7.3
119.08572	22.5
121.06528	2.3
121.10140	31.3
123.08068	2.7
123.11703	2.4
126.60005	1.8
127.11206	2.0
129.07008	3.0
131.08574	5.6
133.10123	16.8
135.11696	31.5
137.09601	5.4
139.11148	1.8
141.09166	3.9
143.08505	3.6
145.10123	5.5
147.11690	7.6
149.13243	9.4
151.11208	17.9
153.12738	3.3
157.10109	3.3
159.11720	4.7
161.13290	14.9
163.11200	7.6
163.14819	3.9
165.12784	6.6
167.10754	2.6
175.14893	3.5
177.12766	5.4
179.14308	100.0
180.14616	3.8
185.13269	4.9
189.12822	4.2
221.15392	4.0
233.05130	2.0
235.16965	5.1
241.19447	4.4
259.20587	6.7
277.21594	31.7
290.45355	2.2
301.61945	2.3
310.23752	2.0
351.25290	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
53.74427	2.5
55.05511	17.0
57.03426	6.0
57.07087	2.6
67.05503	47.2
69.07068	14.8
70.72688	7.9
71.04987	2.8
75.04483	4.2
79.05489	61.6
81.07056	58.4
83.04984	2.5
83.08608	9.6
91.04908	2.7
91.05479	63.2
93.07040	84.1
95.04970	9.0
95.08610	32.8
97.10187	4.7
99.08100	3.1
105.07025	73.7
105.96464	2.7
107.08592	43.9
109.06426	2.5
109.10159	11.3
117.07014	17.5
119.08578	64.0
121.10133	37.6
123.08080	2.3
123.11713	4.4
129.07022	8.7
131.08551	26.7
133.10127	51.9
135.11685	37.0
143.08557	12.2
145.10127	26.6
147.11685	49.2
148.11996	2.5
149.13255	20.9
157.10144	10.3
159.11705	19.1
161.13231	34.2
163.11143	3.0
163.14873	3.8
171.11722	13.7
173.13255	10.6
175.14812	16.0
177.12810	2.6
185.13246	15.3
187.14755	4.8
199.14803	11.1
203.14326	3.2
212.15749	2.4
213.16447	3.2
231.21097	7.1
241.19507	33.4
259.20575	100.0
260.20834	3.9
277.21548	6.2
312.51050	2.4
333.24091	3.1
351.25333	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
53.29852	1.8
55.01862	1.7
55.05509	18.0
57.03430	10.4
57.07069	4.6
65.03922	1.9
67.05502	54.3
69.07065	20.6
69.51476	6.0
69.51904	8.0
71.04990	3.0
71.08628	3.5
75.04468	3.1
79.05490	74.5
81.07058	64.3
83.04976	2.6
83.08611	7.9
85.06526	3.0
91.05478	58.4
92.05777	2.1
93.07041	100.0
95.04950	8.5
95.08607	42.0
96.08922	2.7
97.06525	4.4
97.10175	3.7
98.21459	2.8
99.08083	5.0
103.05451	1.8
105.07027	65.6
107.08592	54.6
109.06510	3.4
109.10153	16.7
111.08074	2.5
113.09599	2.0
117.06995	11.1
119.08581	56.7
120.08903	2.0
121.06422	2.1
121.10139	45.8
123.08079	2.0
123.11678	3.8
128.06201	2.5
129.07002	8.9
131.08559	22.3
133.10127	41.4
135.08112	1.9
135.11679	45.7
135.12708	2.4
143.08553	10.2
145.10120	19.4
147.11682	47.1
148.11951	1.8
149.09686	2.3
149.13255	24.7
157.10144	10.5
159.11678	20.6
161.13251	38.0
163.11188	3.4
163.14812	12.1
171.11679	12.4
173.13275	9.7
175.11183	2.2
175.14838	20.1
177.12761	2.9
179.14333	4.7
185.13243	13.3
187.14879	5.1
189.12808	2.9
199.14801	8.3
213.16335	3.7
215.17972	2.2
217.19534	4.6
221.15584	2.0
231.21190	8.6
241.19513	34.7
259.20557	95.8
277.21555	13.7
304.56519	1.8
333.24176	6.9
351.21112	3.1
351.25299	47.9
352.25333	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
54.20748	2.4
55.05510	19.2
57.03430	9.2
57.07076	3.8
59.93029	2.5
67.05172	5.0
67.05502	49.8
67.05838	5.3
69.07081	20.2
70.18871	3.9
70.19260	8.4
71.04987	3.4
71.44547	2.3
79.05485	67.6
79.05909	4.7
81.07057	52.0
83.04990	2.8
83.08604	7.1
85.06544	4.1
91.05478	53.3
93.07042	96.0
93.07637	4.6
95.04970	7.4
95.08599	45.6
95.09156	3.1
98.21406	3.5
99.08096	4.9
105.07026	65.6
105.07681	4.7
107.08597	57.0
109.10176	16.6
111.08104	3.5
117.07055	12.2
119.08575	55.3
119.09366	4.6
119.66243	2.5
119.98966	2.3
121.10152	50.2
123.11662	3.5
129.07018	10.2
131.08572	19.1
133.10143	53.4
135.08113	3.2
135.11696	56.5
137.09732	2.7
143.08566	11.5
143.57401	2.4
145.10133	26.3
147.11678	57.2
149.09663	3.3
149.13264	30.8
157.10152	8.1
159.11700	25.3
161.13248	42.4
163.14835	13.3
171.11707	15.3
173.13297	10.2
175.14853	22.5
177.12762	6.0
177.16335	2.4
185.13237	11.8
187.14818	3.6
189.12817	2.6
199.14844	9.1
213.16391	6.4
217.15678	3.1
231.21136	10.3
241.19528	37.9
259.20581	100.0
260.21005	4.1
277.21664	15.8
333.24234	10.6
333.31940	2.8
351.25266	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71116	2.3
53.03939	4.9
55.01871	5.2
55.05517	19.6
57.03421	11.1
57.07057	3.4
67.05170	4.2
67.05503	46.3
69.07064	11.9
70.77588	6.9
71.08630	2.9
75.04470	6.0
77.59118	2.8
79.05069	3.8
79.05495	65.0
81.07055	53.4
83.04980	3.9
83.08614	8.6
84.04481	6.7
85.04848	2.7
85.06541	3.0
91.05482	70.7
93.07047	81.8
95.04948	7.9
95.08072	2.8
95.08611	34.9
97.06510	5.7
99.08081	6.8
105.07031	73.5
106.17522	2.8
107.08600	43.8
109.06514	3.0
109.10191	12.4
111.08089	4.2
113.09650	4.1
117.07010	15.5
119.08578	55.4
121.10157	30.8
123.11685	5.3
126.05463	4.7
127.05829	4.8
129.06990	9.6
131.08553	23.0
133.10118	45.2
135.11694	35.5
138.05460	5.3
139.05847	2.5
143.08560	11.0
145.10107	24.3
147.11670	43.9
149.13281	21.1
151.11169	3.2
157.10123	15.2
159.11700	22.3
161.13252	46.6
163.11180	4.9
163.14832	4.7
164.63989	2.6
165.12778	3.4
171.11653	13.7
173.13235	11.3
175.11151	3.3
175.14839	17.7
177.12651	3.2
185.13287	14.0
187.14886	3.6
189.12680	3.0
189.16408	3.4
199.14740	8.4
206.37933	2.4
213.16345	4.9
217.19508	3.8
231.21060	8.9
241.19537	33.4
245.26494	2.4
259.20569	100.0
277.18549	2.7
277.21625	8.4
303.14923	2.5
351.21332	32.1
351.25287	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.05515	20.4
57.03423	8.4
57.07072	4.5
67.05503	56.2
69.07072	21.1
69.45987	2.7
69.46233	19.9
69.46650	9.0
74.25810	3.3
76.63163	3.3
76.97296	2.8
77.04000	3.5
79.05492	80.2
81.03465	3.0
81.07057	71.3
83.08605	7.8
85.06532	4.3
91.05479	57.1
93.07045	100.0
95.04970	8.5
95.08614	41.6
97.10183	5.2
97.97578	3.2
98.21527	5.4
99.08061	5.2
101.06056	3.3
105.07031	69.9
107.08592	52.0
109.06515	4.1
109.10155	14.4
113.09663	5.0
117.07019	13.0
119.08577	63.0
121.10137	48.4
123.11742	4.6
129.07025	6.1
131.08560	25.5
133.10109	55.0
135.11679	45.0
137.05920	5.1
143.08586	11.6
145.10117	26.1
147.11678	61.3
149.13243	26.3
157.10144	11.8
159.11674	22.5
161.13263	52.2
163.14812	11.6
171.11653	21.3
173.13272	10.2
175.14867	23.1
177.12775	4.8
185.13193	17.3
187.14876	4.1
199.14702	5.4
213.16422	5.2
217.19547	9.3
231.21036	7.0
241.19504	46.4
259.18011	6.5
259.20584	93.1
277.21741	15.0
306.74377	3.1
333.24124	8.6
351.25262	47.0
352.25638	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.1
55.01871	3.9
55.05305	3.2
55.05515	34.2
57.03429	15.7
57.07077	4.9
61.12865	2.9
65.03923	4.6
67.05503	100.0
69.07072	30.8
69.78332	10.9
69.78761	10.2
71.04976	5.5
71.08627	59.2
74.34075	3.4
79.05492	74.8
81.03434	15.4
81.07059	84.5
83.04976	12.3
83.08607	12.7
85.06537	6.7
91.04964	5.7
91.05480	57.6
93.07039	89.4
95.04991	16.3
95.08615	46.8
97.06505	7.8
97.10162	10.5
98.21479	6.1
99.08084	47.3
105.07022	59.3
107.04951	5.5
107.08604	48.1
109.06485	8.0
109.10170	30.7
110.18601	3.6
111.08070	5.7
117.07008	15.5
119.08580	44.8
121.10128	33.3
123.08048	3.9
123.11689	4.9
125.09653	9.8
129.07016	12.9
131.08575	18.9
131.38794	3.7
133.10117	38.0
135.11687	33.9
139.09157	2.9
143.08562	12.3
145.10114	20.9
147.11681	38.8
149.13278	18.7
151.11192	28.8
157.10170	9.7
159.11661	16.8
161.13239	45.6
163.11192	14.8
163.14848	7.0
171.11685	14.2
173.13263	7.0
173.82378	4.2
175.14825	13.4
179.14317	20.0
185.13264	11.2
189.11203	6.7
189.12727	4.1
199.14856	5.6
204.08759	3.4
215.17900	4.0
231.17343	4.4
231.21040	7.5
241.19539	28.5
259.20575	61.5
277.21637	38.5
319.51486	4.1
351.25351	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
54.00524	2.6
55.01862	8.3
55.05510	27.8
55.17058	3.1
56.96562	4.7
57.03425	13.8
65.03930	5.2
67.05186	3.7
67.05509	64.1
69.03396	2.8
69.07062	26.7
70.00481	7.8
70.00878	10.2
70.07388	4.1
71.04965	3.6
71.08632	3.2
71.41413	2.7
73.27360	3.2
75.04460	3.0
79.05491	89.2
80.05840	3.3
81.03410	4.2
81.07056	71.7
82.32899	2.7
83.04973	4.6
83.08600	9.1
85.06519	4.5
91.05475	62.9
92.05816	4.8
93.07045	100.0
93.07629	6.4
95.04964	13.3
95.08603	60.0
97.06518	8.0
97.10177	5.7
99.08082	7.4
105.07027	74.4
106.07362	4.0
107.08597	59.0
109.06530	26.2
109.10151	20.6
110.65285	3.0
117.07033	18.2
119.08588	55.3
120.08887	5.5
121.06478	4.7
121.10139	42.6
123.08033	5.1
123.11662	5.1
125.50272	3.4
129.07028	14.3
131.08539	23.7
131.38057	2.9
133.10146	51.2
134.10457	3.5
135.08008	5.2
135.11691	54.2
137.09647	5.4
137.13234	2.9
142.78076	3.4
143.08601	15.8
145.10106	32.2
147.11687	51.0
149.09657	7.0
149.13277	30.1
151.11130	4.1
157.10133	9.6
159.08340	3.3
159.11707	27.3
161.13251	35.5
163.14806	7.1
165.12733	19.7
171.11752	15.1
173.13246	15.0
175.14865	17.6
177.12775	4.6
179.14337	3.9
185.13208	14.5
187.14835	2.9
191.14238	6.0
199.14824	6.8
201.54393	3.6
215.18120	3.3
217.19600	3.5
231.17505	3.8
231.21088	7.4
233.15459	4.0
235.16750	4.1
241.19542	37.2
259.20578	94.9
260.21011	4.3
269.10458	4.7
277.21539	18.9
289.21637	20.3
297.43063	2.9
333.24173	10.2
351.18533	4.2
351.25336	76.4
352.25317	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	351.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01625	1.1
55.01871	12.3
55.05508	9.6
57.03439	6.3
57.07061	2.2
58.17382	0.7
58.29936	0.7
60.62737	0.7
65.03959	1.6
67.05505	15.1
69.03426	0.9
69.07063	8.2
69.73570	5.2
71.04977	0.9
71.08619	3.1
75.04464	1.1
79.05489	18.4
79.50435	0.7
81.03437	1.4
81.07056	47.7
83.04977	3.3
83.08616	5.2
85.02887	0.8
85.10194	1.2
88.13021	0.6
91.05474	10.7
93.07043	17.2
95.04952	3.8
95.07988	1.0
95.08602	17.0
97.06515	2.5
97.10170	1.8
99.08099	2.6
105.07027	12.7
107.04938	0.9
107.08588	11.5
109.06510	16.1
109.10148	6.3
111.04440	14.8
111.08097	4.7
113.09623	1.8
117.07011	2.3
119.08576	10.9
121.06578	0.8
121.10130	9.3
123.08063	1.6
123.11712	3.1
125.05969	5.3
126.05521	1.0
128.06224	0.9
129.07002	1.9
131.08537	4.9
133.10124	11.5
135.08037	3.1
135.11705	8.9
137.05977	100.0
137.09599	1.7
137.13258	3.2
138.06339	1.0
139.07510	1.1
143.08578	3.6
145.10126	3.4
147.08081	1.8
147.11693	12.1
149.09602	3.6
149.13248	3.5
151.07539	2.6
151.11159	2.4
157.10126	3.1
159.11697	3.0
161.09615	4.6
161.13260	6.1
163.11143	4.2
163.14775	1.8
165.09109	2.4
165.12801	1.7
171.11667	1.6
173.13239	1.5
175.11197	3.3
175.14841	3.1
177.12724	0.9
179.10710	3.1
179.14297	3.2
181.12242	1.0
185.13330	1.3
187.14937	0.9
189.12726	1.6
193.12233	1.7
199.14778	0.7
199.19666	0.8
203.17917	6.9
209.13187	0.8
213.16388	2.7
221.19032	2.7
231.17455	10.3
231.21019	1.5
241.15952	1.1
241.19583	2.1
249.18503	11.1
249.22206	1.0
259.20557	7.0
277.18005	28.0
277.21622	7.6
295.19070	7.0
319.84180	0.9
351.21585	6.2
351.25232	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	351.2139
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01858	0.8
61.46944	0.7
67.05511	1.1
70.24782	2.9
75.04458	0.8
77.76810	0.8
79.05469	0.8
81.07045	1.8
83.68477	1.0
84.04493	1.6
90.99198	0.6
91.05441	1.6
93.07047	0.9
95.08590	1.5
98.21428	1.2
126.05500	1.0
127.05817	0.8
213.72580	0.7
277.21930	0.9
279.51297	0.8
351.21405	100.0
352.21707	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	351.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58726	1.6
55.01864	2.9
55.05511	12.2
57.03437	2.0
57.07068	2.2
58.91683	1.3
61.02919	6.2
67.05499	10.5
69.03424	5.9
69.07067	17.6
70.06587	4.0
70.73528	4.7
70.73890	1.4
71.20603	1.5
72.08163	2.8
72.23824	1.5
79.05488	10.0
81.03409	7.1
81.07068	11.0
83.04978	17.9
83.08607	4.4
84.08149	5.2
85.02897	7.3
86.09692	2.4
91.03951	3.5
91.05471	21.7
93.07043	11.2
95.01331	5.9
95.04980	11.0
95.08618	12.3
97.02883	2.2
97.06527	8.2
98.85898	1.4
99.04423	1.8
100.07636	1.4
102.40232	1.7
103.03951	1.8
105.07030	34.5
107.04944	1.7
107.08588	15.5
109.02885	4.2
109.06528	6.6
109.10142	13.0
113.02405	2.3
115.05462	1.7
117.07005	5.4
119.04926	3.3
119.08582	84.3
120.09349	5.2
121.02895	2.3
121.06509	4.0
121.10139	25.7
123.04426	3.9
123.08025	2.8
123.11696	4.7
125.06012	2.4
127.03852	2.4
129.01794	1.6
129.07025	3.2
129.10257	2.1
131.08572	5.4
133.10129	84.0
134.10782	1.6
135.04404	1.6
135.07999	2.8
135.11649	3.4
137.05992	3.7
138.09161	2.1
139.03957	2.6
141.05495	1.8
142.08693	2.1
145.06496	2.8
145.10115	8.1
147.04405	8.4
147.08034	2.5
147.11679	31.3
148.20728	1.5
153.05487	1.9
157.05017	1.6
157.10132	4.2
159.06499	1.7
159.11731	2.1
161.05905	1.7
161.13255	20.6
165.01804	1.8
165.05484	3.4
165.12743	1.8
167.07080	3.0
171.11737	1.9
173.09703	2.3
173.13252	4.0
175.03917	3.4
175.14825	100.0
176.15604	17.0
177.04028	2.3
177.05489	3.2
183.06561	9.2
187.14772	3.0
193.04980	2.2
195.11708	1.9
196.67662	1.7
197.08134	1.9
201.07657	2.6
207.06485	2.8
211.06039	6.3
215.14246	2.7
226.55067	1.7
229.07112	10.5
230.11603	2.5
243.08673	5.2
257.10196	2.5
259.13324	2.5
287.13251	1.7
289.18982	2.7
291.10144	2.0
295.11716	2.3
333.16916	3.5
351.11411	2.1
351.18085	17.5
352.17584	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01875	4.4
55.05503	11.5
57.03443	2.9
57.07067	1.7
61.02914	5.7
67.05509	10.9
69.03426	4.2
69.07072	19.3
70.06596	5.0
71.04991	2.2
71.37852	2.0
71.38173	2.7
72.08174	2.5
76.12306	2.0
79.05492	12.1
81.03397	4.9
81.07053	23.2
83.01322	1.9
83.04988	18.4
83.08614	4.3
84.08142	3.0
85.02897	4.3
86.09719	5.3
91.03960	4.2
91.05475	16.0
93.07051	13.4
95.01330	5.5
95.04972	7.7
95.08603	17.6
96.22646	1.6
97.02898	4.0
97.06528	8.9
105.06372	3.5
105.07021	33.7
107.04947	3.9
107.08597	15.9
109.02869	4.9
109.06525	7.7
109.10150	13.7
111.04413	3.1
111.08083	2.0
113.02353	2.3
117.06992	4.3
119.03461	2.0
119.08575	77.1
120.08105	7.7
120.09371	4.9
121.02856	1.9
121.06482	4.9
121.08436	2.8
121.10131	23.2
121.48035	1.6
123.04428	4.4
123.08074	4.7
123.11730	9.7
125.06020	3.2
127.03871	3.1
130.40514	1.6
131.08578	7.8
133.10126	88.5
135.08049	3.5
135.11682	3.7
136.06184	4.5
137.05981	4.7
139.03874	2.8
141.01862	2.8
141.05455	2.9
144.29636	1.8
145.06555	2.2
145.10141	6.5
146.54105	1.7
147.04344	2.2
147.11682	38.2
149.09607	3.9
151.03969	1.9
157.10168	2.6
159.08023	2.3
161.13243	19.2
165.01840	2.1
165.05476	2.1
167.07068	4.2
167.10762	3.2
171.11578	2.1
172.07578	2.4
173.09624	2.0
173.13258	4.8
175.14821	100.0
176.15582	17.1
177.04013	2.4
179.06990	2.0
183.06529	8.2
189.09010	2.2
191.11365	1.9
199.86110	1.8
201.07536	1.9
207.06461	2.4
211.06003	12.7
213.07478	2.2
213.12593	2.1
215.14264	2.0
228.10277	5.3
229.07062	13.5
243.08682	5.8
257.10266	3.5
262.31775	1.9
295.11838	2.3
296.39255	1.6
305.17374	4.3
307.15714	1.9
307.19260	1.9
308.06824	2.5
319.09750	3.2
329.89780	2.5
333.17096	3.9
351.08649	2.6
351.18137	25.7
351.22122	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	351.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01875	9.6
55.05513	9.5
57.03439	2.2
65.03932	4.0
67.05498	10.6
68.99791	1.5
69.03422	4.4
69.07057	3.2
69.80496	9.1
79.05490	15.3
81.03414	11.1
81.07045	15.5
83.04981	2.5
83.08611	5.3
91.05479	21.0
92.52203	1.4
93.03381	2.2
93.07043	11.3
93.12934	1.3
95.01315	1.5
95.04991	7.0
95.08607	6.7
97.02889	2.3
97.06518	2.0
97.10165	2.6
101.02362	1.6
102.04606	1.4
103.05475	3.9
105.03395	3.8
105.07016	12.8
107.04966	7.7
107.08595	5.2
107.42599	1.3
109.02877	6.3
109.06528	1.9
109.10167	2.5
109.94959	1.4
111.00813	2.1
111.04461	2.4
111.08099	1.4
113.02333	1.4
115.05486	5.3
117.07008	9.4
119.04925	9.5
119.08584	5.1
121.02888	3.7
121.06496	4.6
121.10155	3.0
123.04395	3.3
123.08113	2.0
125.02363	2.9
125.09640	2.0
127.98773	1.5
128.06218	5.1
129.07001	4.8
131.04936	5.0
131.08551	6.1
133.02849	2.0
133.06496	5.6
133.10115	4.9
134.02261	1.5
135.04401	6.5
135.08047	1.7
135.11696	1.6
136.06175	5.9
137.04555	1.5
137.09578	1.7
141.06979	3.9
143.08601	3.9
145.06493	8.4
145.10147	4.4
147.04388	11.6
147.08052	3.4
147.11690	2.2
149.02393	6.5
149.05960	3.0
149.09534	1.4
151.03911	3.4
154.78128	1.5
155.08568	4.4
157.06433	3.8
157.10103	2.7
159.04420	3.0
159.08054	2.0
159.11650	2.6
161.05983	5.7
161.09653	3.2
162.55226	1.4
163.03909	5.9
165.01852	2.1
165.05638	2.4
165.06966	3.2
167.03372	1.8
167.08563	3.1
169.06395	1.4
169.10115	4.3
171.08044	3.5
171.11659	1.6
173.05980	5.9
173.09772	1.4
173.13449	1.4
175.03943	12.8
175.07483	2.4
175.11165	2.1
177.05450	4.9
179.03444	3.1
181.04953	1.4
183.08047	2.5
185.05980	2.2
187.03938	3.7
187.11147	2.4
189.05487	9.1
189.09140	1.9
191.03395	3.0
195.11703	1.8
199.11192	2.3
205.04984	3.2
205.12360	1.7
207.06535	8.7
213.12708	3.1
215.10648	2.2
217.05005	5.4
219.06458	2.4
221.04468	11.6
223.11127	1.9
225.09204	3.8
227.10690	3.0
233.11742	8.4
235.05943	2.0
239.10710	1.5
241.12207	7.1
243.10182	3.2
243.13768	2.0
245.11797	2.4
251.10625	4.5
255.10092	2.5
259.13358	5.8
269.11737	8.6
277.10724	6.1
279.10352	4.2
285.11246	1.8
287.12744	10.6
297.11224	4.9
303.12234	2.9
304.07382	2.3
305.08072	1.4
305.13828	8.1
315.12241	22.6
319.09711	4.7
332.03522	1.6
333.13318	100.0
351.10895	4.1
351.21912	6.5
361.31479	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01876	12.1
55.05509	11.7
57.03444	3.0
57.07053	1.3
65.03935	4.5
67.05502	17.7
67.08585	1.3
68.99784	1.9
69.03426	4.1
69.07059	5.5
71.58253	2.5
72.08163	2.8
75.04478	3.7
79.05497	18.0
81.03412	10.4
81.07060	16.7
83.04973	3.3
83.08616	4.3
84.04510	5.5
84.08156	3.4
85.02921	2.4
85.04831	1.8
85.06505	1.6
91.05483	22.7
93.03407	2.8
93.07039	11.2
95.01325	3.3
95.04978	8.0
95.08603	8.9
97.02908	2.3
97.06507	1.4
97.10168	1.9
99.04451	1.6
100.31702	1.2
101.02479	1.2
103.05470	5.7
105.03393	3.9
105.07029	14.9
107.04951	9.8
107.08567	6.1
109.02884	5.7
109.06493	2.3
109.10153	3.3
111.04422	1.6
111.08044	1.3
115.05458	5.2
117.07013	8.8
119.04914	8.6
119.08617	6.5
121.02856	5.1
121.06485	3.0
121.10146	4.7
123.04432	3.9
123.08044	1.3
123.11731	1.5
125.02400	3.0
125.09596	1.8
126.05514	4.2
127.03862	1.7
127.05856	2.2
128.06235	4.4
129.06989	9.7
130.07787	2.0
131.04929	6.2
131.08583	7.9
133.02888	2.1
133.06490	5.0
133.10126	4.9
135.04431	9.2
135.08032	1.6
135.11723	2.8
137.09578	2.0
138.05478	3.0
139.03889	5.5
139.05864	1.8
141.07021	5.0
142.07794	1.9
143.08542	4.7
145.02834	2.1
145.06493	5.2
145.10139	4.9
147.04381	7.9
147.08063	3.8
147.11700	3.8
149.02324	7.8
149.05972	1.9
149.09641	2.7
151.03935	9.1
151.11261	1.7
153.05492	2.4
153.06923	1.7
154.07761	2.5
155.03406	1.6
155.08545	4.9
157.06483	4.4
157.10138	4.0
159.04448	4.2
159.08066	3.5
161.02364	2.6
161.05968	5.5
161.09650	1.9
161.13303	2.2
163.03859	6.1
163.11157	2.3
165.01820	3.4
165.05516	2.5
165.06999	2.8
167.03413	2.2
167.08539	3.5
169.06554	1.9
169.10121	2.8
171.04509	2.0
171.08052	1.7
171.11665	2.7
173.02376	2.4
173.05966	7.3
173.09624	2.8
175.03938	11.2
175.11186	2.1
177.05487	5.3
179.03323	2.1
179.08507	3.0
180.09282	1.3
181.04942	1.7
181.06392	1.6
181.10031	2.2
183.08080	2.5
183.11717	1.8
185.06064	1.5
185.09637	2.5
185.13280	2.0
187.03931	4.0
187.11241	3.6
189.05530	7.3
189.09120	1.9
191.03429	2.2
193.04922	1.8
195.11707	2.6
197.04425	1.6
197.09570	1.6
199.03955	2.7
199.07555	2.1
199.11217	3.7
203.03415	1.5
205.04974	2.0
205.12239	2.2
207.06517	5.1
209.09587	1.7
213.12721	3.1
215.10753	3.0
217.05019	4.7
221.04413	14.3
223.11151	2.9
225.09038	2.4
227.10709	3.7
231.13826	2.3
233.11682	9.8
235.06010	3.5
239.10538	1.5
241.12253	8.0
243.10178	3.9
243.13794	3.2
251.10744	4.1
255.10176	2.8
259.07413	1.6
259.13293	4.6
261.14868	5.8
262.21594	1.9
262.87595	1.4
269.11658	12.3
271.13245	3.8
277.10767	6.6
279.10077	2.0
287.12747	12.5
289.14328	2.2
291.10287	1.8
297.11273	8.4
303.12344	2.7
305.13879	8.0
315.12283	25.2
319.09604	2.6
333.13324	100.0
334.13663	4.0
351.11096	1.6
351.31958	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	351.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01880	7.6
55.05511	11.0
57.03448	2.4
65.03937	3.3
67.05507	12.5
67.18045	1.1
69.03403	3.0
69.07070	4.0
69.78185	8.4
72.08167	10.1
73.08497	2.3
74.07526	1.3
79.05501	16.4
81.03430	6.6
81.07067	15.2
83.04983	2.5
83.08613	3.2
84.04512	1.7
84.08170	1.6
85.02892	2.4
86.93443	1.1
91.05488	19.7
93.07052	12.8
95.04964	7.5
95.08617	6.5
96.14081	1.5
97.02902	2.6
97.06538	2.5
97.10160	3.4
98.21455	2.0
103.05478	3.6
105.03393	1.5
105.07027	11.2
107.04961	6.2
107.08593	3.1
109.02886	6.1
109.06515	1.7
109.10157	3.1
111.00811	4.1
112.11239	1.4
115.05482	5.7
117.07014	8.8
119.04943	6.3
119.08588	6.4
121.02868	4.2
121.06535	4.7
121.10149	3.6
123.04426	4.5
123.08051	2.1
125.02397	1.6
125.09605	1.9
128.06218	2.1
129.07027	5.3
131.04913	5.7
131.08565	4.8
133.06519	7.0
133.10146	3.5
135.04384	8.5
135.08095	2.9
135.11713	2.1
137.05971	1.9
139.03918	1.9
141.07008	3.3
143.08620	6.3
144.05673	1.5
145.06494	7.9
145.10065	2.6
147.04446	10.0
147.08105	2.2
147.11722	4.0
149.02354	5.2
149.06017	3.0
151.03905	4.6
153.07094	1.9
154.07806	2.4
155.08566	3.3
157.06531	4.0
157.10130	3.0
159.04388	3.2
159.08118	1.7
159.11726	1.9
161.02330	2.5
161.06020	6.2
161.09651	2.9
161.13275	1.5
163.03923	3.8
165.01898	2.6
165.07010	2.6
165.09151	1.5
167.08572	3.0
169.06470	2.4
169.10121	3.1
171.04446	1.5
171.08047	2.6
171.11723	2.1
173.06001	5.8
175.03931	8.8
175.07549	2.9
177.05461	3.1
179.03461	1.6
183.08034	2.5
183.11755	1.6
185.05946	1.8
185.09624	1.9
187.03941	3.0
187.11200	2.7
189.05441	7.8
191.03447	1.6
193.04951	1.5
195.08034	1.4
195.11729	1.5
197.09641	1.9
199.07695	2.1
201.05403	1.7
205.04964	1.7
205.10333	1.5
205.12233	2.4
207.06508	3.2
213.12778	3.8
215.10698	2.2
217.04924	2.7
217.12204	1.5
221.04485	13.9
223.11230	3.5
225.09123	3.8
225.12833	1.9
227.10706	4.7
231.14009	1.5
233.11757	10.0
235.05995	4.0
239.10742	1.4
241.08597	1.5
241.12158	6.1
243.10262	2.8
243.13947	1.9
245.11748	1.9
251.10686	3.4
255.10258	2.7
257.11850	1.4
259.13367	5.3
262.21622	3.5
263.21960	6.1
269.11740	9.2
271.13052	1.6
273.11340	1.8
277.10754	4.1
279.10141	2.1
287.12811	12.8
289.10953	2.2
297.11142	7.3
303.12500	1.7
305.13791	6.1
310.35648	1.6
315.12271	24.4
319.09650	2.7
333.13336	100.0
334.13388	3.1
334.29358	2.6
350.31982	1.4
351.11130	1.5
351.14511	2.0
351.21490	5.6
351.32077	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	351.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
56.05033	2.7
60.05645	1.4
65.03944	0.5
66.63528	0.5
67.05505	1.1
70.06604	3.6
72.08153	3.6
79.05499	1.1
82.06585	4.4
83.07361	1.2
84.04512	0.5
84.08141	100.0
85.02905	0.8
85.08470	0.8
86.07191	0.7
86.09701	0.9
91.05479	2.2
93.07060	1.9
95.04968	0.7
95.08593	1.2
97.02888	0.6
97.07674	0.6
98.06065	1.3
98.21486	0.8
100.08684	0.5
101.04241	22.6
102.93179	0.5
104.98296	0.6
110.06048	0.6
110.07124	0.6
114.10281	1.7
116.07063	0.5
119.08595	0.7
120.08111	0.8
121.06483	0.7
125.04254	1.2
127.05771	2.3
128.07054	1.0
129.10252	1.6
130.08633	5.7
131.12939	1.3
145.02856	0.9
147.04416	2.1
147.06358	0.5
147.11349	1.6
148.04825	0.6
157.10918	0.5
159.03032	0.7
162.05435	0.6
163.03896	1.4
177.04044	15.1
177.05431	1.2
180.83000	0.5
187.02510	1.9
205.03563	5.5
206.15495	0.9
270.09814	4.3
277.66638	0.8
278.17099	0.5
288.10864	30.1
301.11929	0.5
305.13480	0.5
319.12915	0.7
333.13135	1.4
351.14069	41.7
351.18359	3.9
352.14780	1.1
352.19556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88719	1.2
53.03937	4.3
55.01872	10.2
55.05510	12.5
56.96563	1.3
57.03424	3.8
57.07048	2.0
64.29734	1.2
65.03931	3.5
67.05503	12.7
69.03418	4.9
69.07057	5.2
70.06585	3.7
70.83205	2.6
70.83577	2.9
71.04986	2.6
72.18708	1.7
79.05492	19.8
81.03426	19.8
81.07059	20.6
83.01302	1.7
83.04951	4.7
83.08617	3.9
84.04490	2.5
84.08141	2.6
85.02905	3.8
85.06560	2.2
86.09697	1.6
91.05482	26.4
93.03400	3.4
93.07048	12.1
95.01344	1.4
95.04958	8.5
95.08613	9.2
97.02890	3.5
97.06509	2.2
97.10159	3.4
99.08107	1.4
103.05452	3.7
105.00064	1.9
105.03389	4.5
105.07024	14.2
107.04947	9.1
107.08572	6.3
109.02879	8.1
109.06493	2.4
109.10176	4.4
111.04436	1.8
111.08083	2.3
115.05457	5.4
117.03323	2.0
117.07049	9.9
119.04958	10.0
119.08590	9.3
121.02853	4.8
121.06509	4.3
121.10139	5.4
123.04432	3.7
123.11734	1.8
125.02338	2.6
125.09618	2.5
127.03921	1.8
128.06219	4.3
129.07027	9.3
131.04907	5.2
131.08540	5.9
133.02831	2.0
133.06488	6.9
133.10146	5.5
135.04427	6.7
135.08073	3.0
135.11665	2.8
136.06201	5.7
137.04599	2.3
137.05925	2.8
141.06927	2.9
142.07857	1.3
143.08606	6.2
145.02826	3.6
145.06488	8.3
145.08655	1.2
145.10123	6.2
146.03146	1.7
147.04408	12.2
147.08003	2.7
147.11749	4.2
149.02350	5.8
149.05936	3.3
151.03920	2.1
151.11168	3.8
153.07004	2.3
155.08528	3.4
157.06502	3.6
157.10188	3.0
159.04416	3.6
159.08054	2.4
159.11707	2.9
161.02266	3.3
161.05995	5.6
161.09659	4.3
161.13187	2.5
163.03888	6.5
163.11238	3.1
165.01848	2.6
165.05547	2.1
165.06967	2.9
166.07619	2.2
167.03397	2.5
167.08586	2.6
169.06494	1.6
169.10132	3.6
171.08038	3.2
171.11670	3.2
173.02403	1.9
173.05983	6.7
173.09601	2.3
175.03938	16.3
175.11153	2.2
176.14314	3.5
177.05437	4.1
178.05849	3.0
178.07666	1.3
179.03401	2.1
181.10114	2.0
183.08083	2.6
185.05978	3.0
185.09674	2.3
185.13272	1.8
187.03868	3.7
187.11188	3.5
189.05426	8.1
189.09160	2.0
189.43121	1.4
191.03369	2.3
195.11777	3.0
197.09627	2.2
199.03928	2.2
199.07735	1.5
199.11116	3.2
201.05458	2.7
201.09001	1.8
203.08638	1.9
203.10442	1.8
205.04872	1.5
205.12245	1.8
207.06496	15.1
207.08177	1.9
208.08821	1.3
213.12778	4.5
215.10732	2.7
217.04890	2.8
219.08101	2.1
221.04465	13.9
223.11070	1.5
225.09155	3.5
227.10658	2.8
231.08093	2.7
231.13745	1.8
233.11734	8.2
235.05878	2.5
241.12248	6.8
243.10178	2.5
244.22670	3.3
245.23062	5.4
248.08282	1.7
251.10670	6.1
255.10239	3.5
259.07635	1.5
259.13339	6.4
259.20276	1.4
261.11273	2.1
263.10593	1.6
265.08600	2.2
269.11676	10.2
275.06998	1.8
276.07858	5.5
277.10754	6.0
279.10165	1.3
285.11108	1.8
287.12744	13.8
289.25732	3.6
290.09421	1.5
291.10153	3.6
292.10776	1.5
297.11136	7.3
303.12222	2.2
304.07352	2.2
305.13940	5.2
315.12238	26.1
319.09607	8.6
320.10638	2.7
323.12674	1.7
333.13330	100.0
334.13562	4.2
336.10101	1.6
350.29108	4.0
351.11163	9.9
351.22064	5.2
351.29199	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	351.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	0.6
66.66457	0.4
70.33997	0.4
71.56930	0.5
71.57334	0.8
71.81358	0.3
82.21194	0.4
84.08116	0.5
98.97580	0.6
101.00882	0.4
103.02433	0.6
107.67400	0.4
112.71076	0.3
119.01889	1.3
121.01660	0.7
122.40150	0.4
127.02380	0.4
129.03978	0.4
131.01913	0.5
133.01662	0.5
133.03496	1.9
134.04483	0.4
138.87985	0.4
145.03456	1.1
147.05052	0.9
149.01215	0.5
155.01932	0.5
157.03456	0.6
171.05017	3.5
173.02945	0.9
187.04736	0.5
189.05904	0.8
189.07362	1.4
207.07140	0.7
217.00168	0.8
236.55290	0.4
249.02908	0.5
249.08244	1.5
259.06494	0.4
261.08246	1.5
269.05420	0.5
291.09262	0.4
301.71222	0.4
307.08698	0.6
351.12589	100.0
352.12988	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1257
Annotation	Estrone 3-sulfate
Peak:m/z	Relative Intensity
55.05500	0.4
71.57106	0.6
72.09757	0.3
80.76911	0.4
84.08163	0.7
85.08505	0.3
119.01907	1.3
121.01705	0.7
131.01932	0.9
133.03470	2.1
145.03505	0.5
150.45480	0.3
151.04506	0.5
171.05072	2.3
176.34097	0.4
183.05000	0.4
189.00650	0.4
189.05978	0.6
189.07423	1.0
207.07263	0.5
217.00002	0.4
225.08293	0.5
249.02615	0.8
249.08359	0.8
253.07672	0.4
261.08087	0.7
303.96747	0.3
307.08636	0.5
351.12604	100.0
352.13022	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	351.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71488	6.8
70.06564	8.9
71.48781	15.3
89.70234	8.0
90.65061	6.4
96.25896	7.2
96.92840	9.1
99.60820	8.4
101.00870	13.8
103.02444	15.6
103.58562	8.3
119.01919	65.4
124.13511	8.0
130.25124	7.0
131.01907	33.4
133.03485	44.2
143.01900	10.7
145.03473	53.8
147.01361	17.3
151.04507	21.8
155.01927	16.9
157.03452	34.9
161.02930	43.4
169.03528	8.3
173.02983	51.7
175.04544	48.0
185.02919	37.8
187.04526	17.4
189.02023	7.3
191.48535	8.2
203.03964	72.3
209.21223	7.7
215.03989	24.0
221.05038	20.1
224.01712	17.9
235.06667	16.9
245.05061	71.6
246.13405	13.6
246.92537	51.0
253.07729	24.4
263.06100	77.2
273.04520	12.8
274.12973	11.0
279.09186	18.4
289.07803	16.4
291.05600	30.8
307.08728	27.8
308.93600	8.6
309.06653	52.3
333.06845	21.5
351.07587	100.0
351.11536	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	350.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.01622	1.6
55.01870	16.2
56.05037	2.4
56.96560	3.5
57.03439	1.9
61.02935	1.6
69.03429	6.7
69.75596	2.8
69.76012	5.4
70.06590	7.6
71.05026	1.2
72.08144	2.1
74.06067	1.1
75.04465	1.3
79.05484	2.8
81.03415	2.7
82.06562	8.5
83.04961	1.3
84.04498	7.1
84.08133	6.2
84.96046	1.7
85.02898	15.4
86.09682	4.2
88.03974	1.6
91.05480	2.6
95.18467	1.3
96.08127	19.7
97.02885	5.8
97.06561	1.4
98.06051	2.7
98.21667	1.2
98.97585	3.5
99.04491	2.1
99.43686	1.1
104.05305	1.6
107.04973	6.4
108.08134	1.2
109.02863	2.9
110.05283	2.5
110.06040	41.4
110.07210	2.8
113.17685	1.5
116.98617	2.4
120.08094	1.3
124.07591	37.5
125.05980	1.5
127.03917	3.4
128.07085	5.0
128.98561	1.6
129.10175	1.6
134.06001	2.7
135.04462	1.9
136.07613	1.6
138.88464	1.1
142.08607	8.0
145.04893	2.2
146.99687	1.7
147.04327	1.3
152.07076	47.8
153.05486	3.6
153.07343	1.5
158.05943	1.2
158.99634	1.8
160.09668	1.5
166.05299	1.4
169.84787	1.5
170.08124	48.6
170.09596	2.5
177.00745	2.1
182.08116	1.5
187.04150	1.3
188.03712	2.6
188.09181	100.0
188.12752	3.8
194.08180	1.2
212.09148	3.7
214.04851	1.3
237.02756	2.9
238.03210	1.3
254.10094	1.4
350.18106	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1351
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03940	1.1
55.01857	1.4
57.03434	2.9
59.04989	0.4
61.02938	2.0
69.03085	0.5
69.03429	7.9
69.35881	2.8
69.36315	1.3
70.06561	0.4
70.11331	0.4
71.01329	0.8
71.04993	2.3
72.08157	0.6
73.02913	1.3
75.04463	0.3
79.05502	0.8
81.03405	1.2
81.07030	0.6
90.00797	0.4
91.05463	1.4
95.06086	0.9
98.20796	0.8
99.04459	2.0
108.08061	0.4
116.04965	0.8
117.05694	0.5
118.06552	3.8
120.08074	0.8
126.05444	0.4
130.06552	0.7
132.08076	1.4
136.06169	5.6
145.07607	15.7
146.08298	0.6
147.09169	21.1
148.06177	2.6
148.09482	0.4
152.05605	0.5
157.07570	0.9
158.08342	0.4
158.11720	0.6
159.09172	9.3
160.09938	1.5
161.10770	0.8
173.07176	1.5
173.10748	1.5
175.08658	1.4
183.09131	0.8
184.09958	0.7
185.10719	3.1
187.08701	0.7
187.12312	1.3
189.10234	1.1
190.10878	8.2
190.13423	0.6
191.08153	100.0
192.08472	2.0
197.10687	1.3
199.08630	1.4
199.12321	1.2
201.10226	0.5
213.10242	1.8
215.11853	1.6
216.07700	10.5
225.10181	0.9
226.31801	0.4
227.11772	0.5
234.13461	1.2
240.71814	0.4
243.11343	0.6
245.09186	0.5
252.14510	1.9
259.10852	0.5
263.11359	0.3
263.13913	7.7
271.10809	0.7
288.18179	0.9
289.11792	3.9
306.19058	3.3
306.21735	0.7
307.12869	56.7
308.13184	1.5
314.42377	0.5
332.20828	0.6
350.13464	43.6
350.21811	7.4
351.13687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03929	1.1
55.01863	0.8
55.05301	0.6
55.05513	6.0
57.03437	0.8
57.07060	2.3
61.20380	0.6
67.05209	0.6
67.05508	5.2
69.03442	0.7
69.06721	0.9
69.07065	10.1
70.19411	3.1
70.19732	0.5
71.04977	2.2
79.05487	4.7
79.41649	0.6
81.07056	9.0
83.04953	1.1
83.08628	4.3
85.06525	0.8
86.05711	0.6
91.01746	0.5
91.05463	2.7
93.07042	5.4
95.04968	1.1
95.08607	8.6
97.06510	1.5
97.10144	1.1
98.21399	1.0
105.07008	3.8
105.10641	0.8
106.15681	0.7
107.08583	5.5
109.06511	13.0
109.10136	3.2
111.08046	1.9
117.07011	0.7
119.08586	2.5
121.06460	0.7
121.10141	3.7
122.07294	0.7
123.08066	73.3
123.11700	1.6
124.08408	0.7
131.08580	1.1
133.10121	2.8
135.08044	5.6
135.11676	2.4
137.09619	4.1
137.13263	0.8
145.10129	1.6
147.11667	2.1
149.09622	1.7
149.13211	1.4
159.11699	1.9
161.13290	1.4
163.11250	0.7
165.12723	0.8
168.65456	0.6
173.13289	0.6
177.12625	0.7
179.14301	14.9
184.37279	0.6
233.19023	1.0
275.20062	2.0
281.21185	0.8
289.25171	1.0
293.21121	20.3
307.22684	0.9
331.26147	2.9
349.27368	100.0
350.27820	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03933	0.5
55.05510	2.3
57.06831	0.4
57.07072	5.4
58.36413	0.3
60.28906	0.3
67.05499	3.8
69.07064	2.9
70.00635	1.8
71.08639	2.1
71.08938	0.4
79.05484	3.5
81.07050	6.0
83.04984	0.4
83.08611	1.1
85.06530	2.6
91.05483	2.7
93.07051	3.6
95.04939	1.4
95.08599	7.4
97.06506	0.6
97.10160	0.5
99.08088	1.8
105.07030	4.0
107.08603	3.5
109.06512	20.9
109.10131	2.4
111.08072	0.6
117.06985	0.5
119.08559	4.0
121.10122	2.7
122.07279	2.2
123.08064	28.8
123.11716	0.8
131.08540	1.3
133.10127	2.3
135.08047	3.8
135.11667	0.8
136.08769	0.6
137.09589	1.2
137.13235	0.4
142.07823	0.5
145.10103	1.1
147.11674	1.1
149.09631	0.9
149.13295	0.5
151.14772	0.4
157.10011	0.5
159.11710	0.9
161.13252	0.7
165.12799	1.0
167.14267	0.4
170.10921	0.4
179.14304	100.0
180.14618	2.7
189.16382	0.5
193.15846	1.5
196.11000	0.3
199.14740	0.4
217.28069	0.4
233.19005	0.7
275.19949	0.6
289.25363	0.7
293.21091	1.0
331.26251	2.6
349.27374	69.4
349.94559	0.4
350.27679	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.86385	0.9
55.01866	1.3
55.05511	6.5
57.03424	1.2
57.07062	1.5
67.05505	9.2
69.07066	13.7
71.04990	1.5
71.08619	0.7
71.50043	1.1
71.50373	0.9
78.66414	0.7
79.05485	6.8
81.07053	11.8
83.04967	1.6
83.08609	5.6
85.06548	0.8
91.05492	4.6
93.07036	8.4
95.04940	1.8
95.08603	10.3
97.06526	4.2
97.10173	1.6
105.07030	5.1
107.08591	8.4
109.06515	11.8
109.10140	5.0
111.08072	1.6
117.06999	1.8
119.08589	4.7
121.10160	4.6
123.08064	74.7
123.11704	2.0
125.09587	1.2
128.10081	0.8
133.10126	3.6
135.08054	6.8
135.11685	3.2
136.20625	0.7
137.09601	3.7
137.13287	0.9
145.10123	3.0
147.11655	3.6
149.09599	2.5
149.13260	2.4
159.11700	1.5
161.13277	1.7
163.11151	0.9
164.95470	0.8
165.12758	1.1
165.79987	0.8
168.42818	0.7
173.13274	1.3
177.12746	1.0
179.14366	5.4
233.18941	0.7
257.18951	0.8
275.20096	4.1
289.25287	1.2
293.21097	21.0
305.84030	0.8
307.22659	1.3
331.26248	4.0
349.27371	100.0
350.27646	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.7
55.05494	25.0
55.86010	6.1
57.03425	9.8
57.07066	12.7
66.76917	6.0
67.05499	47.3
69.03378	5.5
69.07069	35.2
69.67042	38.3
70.21941	5.8
71.04957	6.3
73.44756	5.5
74.03478	5.0
79.05484	59.1
79.88766	5.0
81.07057	77.6
82.20936	5.9
83.04982	10.6
83.08600	13.9
91.05479	68.9
93.07036	81.5
93.97295	6.1
95.04962	31.4
95.08604	69.1
97.06523	11.9
105.07021	100.0
107.04934	6.7
107.08582	73.5
109.06512	24.5
109.10180	35.5
117.07028	28.0
119.08576	98.2
121.06541	15.6
121.10146	76.2
123.08067	37.5
123.11689	12.6
128.06201	10.5
129.06966	17.3
130.07765	9.2
131.08569	59.4
133.10143	54.4
135.08025	18.2
135.11676	22.4
137.09637	6.2
141.07056	7.0
142.07799	17.3
143.08560	33.8
144.09274	10.8
145.10117	70.2
147.08087	5.9
147.11635	29.6
148.57625	5.9
149.09563	16.0
150.57999	5.5
155.08562	13.0
156.09360	7.3
157.10146	41.6
159.11708	28.5
161.09615	16.0
161.13271	16.9
167.08524	8.1
169.10091	26.0
170.10812	6.3
171.11734	23.2
173.09578	8.1
173.13266	19.9
175.11197	8.8
175.14795	6.6
179.08623	11.8
179.14282	37.5
181.10118	7.3
182.10832	8.2
183.11681	23.6
185.13222	11.9
187.14798	20.8
194.10890	8.3
195.11667	13.3
197.13249	13.1
199.14864	12.6
207.11685	8.8
209.13245	20.0
211.14845	9.0
227.14368	8.0
239.17894	8.8
246.07973	5.7
249.16176	6.3
255.17360	7.9
275.20047	17.7
349.24423	23.7
349.27386	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	9.8
55.05513	25.4
57.03438	10.8
57.07062	4.9
65.03927	6.6
67.05502	62.0
69.07068	40.1
69.65494	16.1
69.65915	12.2
71.04984	4.3
79.05135	4.7
79.05499	54.9
81.03401	6.6
81.07055	69.7
83.04948	4.8
83.08613	12.8
91.05473	64.7
93.07036	73.3
95.04983	28.8
95.08611	44.1
97.06521	15.9
103.05481	4.6
105.07030	100.0
107.04947	8.4
107.08596	63.0
108.02391	4.6
109.06512	31.9
109.10153	34.8
111.08067	7.5
115.05429	5.0
117.06992	18.2
119.08589	84.8
121.06486	13.0
121.10136	71.2
123.07304	6.5
123.08083	56.7
123.11687	12.3
125.09563	4.4
128.06229	8.2
129.06990	16.2
131.08563	54.7
133.10146	48.8
135.08011	14.4
135.11690	17.5
141.06955	6.7
142.07755	13.7
143.08540	17.9
145.10118	51.0
146.07361	4.9
147.11703	26.6
149.09598	12.0
155.08540	7.8
156.09303	4.5
157.10123	25.9
158.10905	6.1
159.08052	5.8
159.11693	25.1
161.09647	10.4
161.13351	7.5
167.08537	5.6
169.10109	19.9
171.11688	15.9
173.09700	4.8
173.13249	18.0
175.14767	6.1
179.08571	7.6
179.14307	63.1
181.10175	8.3
183.11684	11.6
185.13196	6.8
187.14838	11.4
189.12735	4.3
194.10895	6.9
195.11697	9.8
197.13272	9.3
209.13240	8.7
211.14885	5.9
221.13327	6.0
227.14404	6.3
239.17990	6.9
257.18900	6.6
259.61319	5.0
275.20007	18.3
293.21198	9.3
331.23956	5.2
349.27921	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.4
55.01867	7.6
55.05512	33.3
57.03435	21.3
57.07084	5.7
61.37045	2.9
65.03956	3.8
67.05506	100.0
69.07069	22.4
69.87453	14.8
71.04990	6.2
79.05498	71.0
81.07060	73.7
83.04985	7.0
83.08617	13.5
85.06549	3.4
91.05482	81.5
93.07045	66.7
95.04986	17.2
95.08054	4.5
95.08607	49.9
97.06528	7.6
97.10193	4.9
105.07031	76.4
107.04951	10.7
107.08598	35.5
109.06535	14.9
109.10169	23.1
117.07020	34.3
119.08584	59.0
121.06534	6.2
121.10177	25.2
123.08060	15.6
123.11736	5.6
125.09625	4.3
129.06995	8.0
131.08578	37.9
133.06512	3.7
133.10133	56.5
135.08035	5.2
135.11700	11.6
137.09621	8.1
137.86841	3.2
143.08586	4.1
145.10130	21.3
147.11690	34.7
149.09659	19.1
157.10129	4.7
159.11682	22.5
161.13268	12.6
163.11166	5.1
171.11736	4.1
173.13263	15.9
175.11275	2.7
175.14764	3.0
175.36800	2.6
179.14293	9.7
183.11700	4.0
185.13316	3.2
192.51971	2.7
197.13257	7.2
201.12848	3.0
202.31091	2.8
217.75977	3.4
219.13811	3.1
229.19716	3.3
235.08871	3.2
239.17958	6.6
247.20605	6.7
257.19125	9.0
275.20071	72.5
290.95743	2.8
293.21298	5.0
349.23718	32.9
349.27536	15.9
355.04794	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01876	10.6
55.05510	20.6
56.96565	12.4
57.03436	24.1
57.07076	3.5
61.26383	1.5
67.05505	50.0
69.03432	2.5
69.07069	35.8
70.33519	7.0
71.04996	3.4
75.04469	13.6
79.05492	44.4
81.03442	3.7
81.07055	57.1
83.04976	12.4
83.08630	6.8
84.04493	12.5
85.06496	2.4
88.20419	1.7
91.05474	39.1
93.07040	47.6
95.04954	17.4
95.08603	31.1
96.04478	1.8
97.06523	14.3
97.10194	3.4
105.07027	45.6
107.04939	12.9
107.08598	31.6
107.46085	1.7
108.02644	1.7
109.06506	16.6
109.10144	14.4
111.08050	2.3
117.07010	18.0
119.08580	30.9
119.09364	2.9
121.06506	18.1
121.10135	15.4
123.08064	12.4
123.11723	4.1
126.05512	14.5
129.07028	4.5
130.07697	1.7
131.08578	22.2
131.47955	1.6
133.06497	5.5
133.10136	28.1
135.08051	7.8
135.11691	11.9
137.09624	4.1
138.05489	11.4
141.07002	2.2
143.08607	5.8
144.06572	2.4
145.06459	2.1
145.10118	19.6
147.08041	5.6
147.11678	20.4
149.09624	11.3
149.13251	5.0
151.11214	5.8
153.09077	1.8
155.08586	2.9
157.10062	3.8
159.08051	3.8
159.11684	16.7
161.09604	4.2
161.13271	6.6
163.11154	7.9
168.06602	3.7
169.10123	3.8
171.03377	2.1
171.11755	4.6
173.09630	3.1
173.13243	9.0
175.11200	3.6
177.12741	5.1
179.14285	5.3
183.11676	3.3
185.13289	3.3
186.07619	3.0
187.11243	4.3
189.04298	2.0
189.12802	2.0
189.16327	1.9
191.14349	5.8
197.13258	3.8
199.06458	1.7
201.12758	5.6
203.05859	2.0
204.08635	8.6
207.13817	4.0
215.17944	4.0
217.07523	2.2
219.13823	4.5
229.19568	4.4
231.09079	3.1
239.17941	5.9
247.20659	5.5
255.08987	5.6
257.19009	16.8
267.09045	5.7
269.10666	7.1
273.10147	2.0
275.20059	100.0
276.20502	4.4
278.10007	1.6
285.09979	8.9
287.11508	2.9
293.21088	3.8
299.16199	1.7
312.08624	1.5
331.15781	1.9
349.16855	7.2
349.23724	27.2
349.27432	3.5
367.17935	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01865	6.8
55.05512	19.4
57.03442	16.4
57.07051	5.6
65.98273	1.8
67.05502	35.7
69.03425	2.3
69.07066	23.7
69.61356	11.3
71.04988	1.8
79.05074	2.3
79.05495	31.4
81.03424	2.3
81.07057	43.7
83.04967	8.5
83.08616	6.7
85.06513	2.2
91.05485	31.4
93.07036	35.5
95.04549	1.2
95.04977	13.7
95.08611	25.8
97.06518	5.1
97.10172	3.4
98.20791	3.3
105.06387	2.6
105.07030	32.7
107.04955	13.3
107.08591	22.7
109.06522	17.4
109.10162	8.6
111.08086	2.3
117.07046	11.3
119.08580	16.4
121.06512	13.7
121.10130	14.5
123.08044	9.1
123.11662	3.2
125.09582	1.8
126.05555	2.7
129.07005	3.8
131.08551	21.6
133.06508	3.5
133.10141	21.7
135.08075	7.0
135.11687	5.9
137.09578	3.1
141.07004	1.7
143.08510	3.1
145.06496	2.9
145.10123	18.5
147.08031	4.7
147.11684	16.3
149.09607	8.5
149.13264	4.6
151.11223	8.4
155.08575	2.7
157.10107	4.2
159.08051	2.1
159.11703	11.0
161.09599	3.6
161.13245	3.7
163.11153	9.5
168.79980	1.6
169.10120	3.4
171.11635	3.8
173.09618	3.8
173.13252	7.1
175.11172	3.8
179.14342	1.9
183.11711	3.1
187.11101	3.3
191.14293	2.1
197.13173	1.8
200.21561	1.6
201.12733	4.1
207.13760	4.5
215.17918	2.4
219.13841	4.4
224.85724	1.7
226.52432	1.6
229.19461	3.3
233.18950	2.4
239.17978	5.9
247.20674	7.4
257.18948	16.9
275.20068	100.0
276.20413	5.0
293.21048	7.5
349.23730	23.3
349.27612	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19368	3.1
53.03949	3.9
55.01862	8.9
55.05511	32.6
57.03188	4.1
57.03437	52.7
58.83630	2.8
65.03925	4.4
67.05508	57.8
69.07058	24.5
69.54803	23.7
71.04978	5.6
75.04475	13.0
79.05495	77.3
81.03397	4.1
81.07054	66.6
83.04958	6.7
83.08609	15.0
84.04489	10.3
85.06554	7.4
91.05478	90.5
93.06477	5.0
93.07045	74.3
95.04945	8.3
95.08600	46.4
97.06511	12.3
97.10168	10.4
98.06002	3.4
98.20758	6.8
101.06039	3.3
105.07035	100.0
107.04938	12.7
107.08591	52.6
108.02625	2.9
109.06516	10.1
109.10116	15.3
117.07021	37.1
118.35027	3.1
119.08577	62.8
121.06468	6.1
121.10133	21.6
123.08047	7.8
126.05492	9.5
128.06262	7.7
129.07030	18.1
131.08575	51.7
133.05437	3.2
133.06442	3.2
133.10110	43.7
135.08067	6.7
135.11737	9.0
138.05486	8.4
141.06964	4.4
143.08586	16.6
145.09077	3.5
145.10135	55.4
147.11699	32.0
149.09618	13.5
149.13187	3.9
155.08568	5.7
157.10133	16.5
159.11679	51.2
161.09636	5.6
161.13248	17.2
163.11148	10.7
168.09242	3.2
169.10118	9.2
171.11684	12.3
173.13268	18.0
175.14825	9.5
179.14363	4.4
183.11749	10.5
185.13278	26.6
186.94655	3.0
187.14835	4.7
187.80748	3.7
189.12831	3.8
191.14357	3.2
197.13203	8.3
201.16406	5.0
203.14348	7.9
215.17941	4.9
219.17435	22.7
229.19487	7.6
239.17897	17.6
257.19016	45.0
271.30109	3.0
275.20071	54.7
276.20425	6.1
331.22443	4.4
349.12280	5.5
349.19766	5.8
349.23752	72.2
350.24005	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.9
55.01875	14.3
55.05511	46.8
57.03438	20.5
62.72756	3.0
65.03927	3.6
67.05507	67.1
69.03436	3.6
69.07070	40.9
70.77013	10.4
71.04984	5.0
79.05498	96.6
81.03400	9.6
81.07058	76.4
83.04976	7.6
83.08620	19.0
84.74981	2.9
91.05485	82.5
93.07050	58.7
95.04974	19.4
95.08619	52.0
97.06527	19.9
97.10155	6.5
103.05461	3.0
105.07033	100.0
107.04965	18.7
107.08595	70.2
109.06513	16.4
109.10162	28.1
111.08088	4.4
117.07010	24.5
117.47542	2.9
118.51066	2.8
119.08590	56.2
119.09419	2.7
121.06525	7.0
121.10150	26.4
123.08070	7.5
124.61393	2.9
125.09622	13.5
126.05501	3.8
128.06276	3.4
129.07002	6.4
131.08554	46.0
133.10132	46.2
135.08054	7.0
135.11681	12.3
137.09528	3.2
141.04170	3.1
143.08545	8.6
145.10123	57.1
147.08115	3.0
147.11681	38.6
149.09601	18.3
149.13228	6.1
153.09117	3.9
157.10117	9.8
159.11682	27.9
161.13246	12.9
163.11177	11.7
163.14787	3.2
169.10086	8.4
171.11719	10.1
173.11850	4.4
173.13274	12.3
175.11186	3.6
177.12755	3.2
179.14250	3.4
183.11697	7.2
187.11118	6.9
189.11232	5.2
197.13271	9.7
204.08542	2.9
214.53740	3.3
229.19604	3.9
239.17943	13.9
247.20650	9.8
257.19034	37.0
275.20056	74.9
276.20346	5.0
349.23724	71.1
350.23914	6.8
373.82358	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15602	2.2
53.03943	18.7
55.01865	21.3
55.05512	30.2
57.03436	27.7
65.03926	4.6
65.25533	2.3
67.05502	86.7
69.03402	2.6
69.07063	66.9
70.31079	10.2
71.04999	5.6
72.00136	2.4
79.05491	69.9
81.03413	36.1
81.07053	99.2
83.04987	15.7
83.08613	11.8
85.06543	2.7
85.54472	2.1
85.56853	2.3
87.58349	2.4
91.04893	4.0
91.05474	83.2
93.07037	63.9
95.01336	24.0
95.04973	29.1
95.08607	62.9
95.09140	1.4
95.92731	2.6
97.06519	26.9
97.10171	6.0
98.48459	2.4
99.08055	3.2
103.05466	3.9
105.07024	100.0
107.04945	45.8
107.08588	32.1
109.06513	9.0
109.10149	14.0
111.04449	2.6
111.08049	4.9
115.05437	5.4
117.07006	26.7
119.08566	51.2
121.06498	9.1
121.10125	16.1
123.04490	5.2
123.08067	12.6
125.09599	4.2
129.06955	7.0
130.07837	2.6
131.08559	43.5
133.10129	63.9
135.08066	9.7
135.11664	16.1
137.09581	5.0
141.06963	4.7
143.08586	5.2
145.06467	6.4
145.10103	24.8
147.11658	26.2
149.09586	9.5
149.13240	11.0
151.11185	5.2
157.10030	4.9
159.08055	4.1
159.11667	23.4
161.09660	3.3
161.13213	12.6
163.11169	9.6
165.09146	4.7
169.10135	7.0
171.11716	5.9
173.13239	8.8
175.11125	2.8
177.12709	11.3
179.14304	31.8
187.11142	9.8
197.13206	4.3
225.17839	2.4
229.19620	4.9
239.18047	3.1
247.20561	5.0
257.19080	9.9
275.20074	54.3
289.09854	2.6
349.23740	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97876	3.4
53.03932	8.0
55.01870	24.0
55.05510	52.0
57.03442	30.5
57.07069	4.1
59.04979	4.3
65.03917	5.1
67.05506	83.5
69.03413	5.0
69.07069	51.3
69.55010	27.5
71.04991	5.9
75.04467	12.6
79.05069	6.4
79.05496	100.0
81.03417	7.0
81.07059	79.5
83.04979	12.5
83.08607	12.6
84.04497	15.3
85.06532	5.9
91.05476	87.7
93.07043	78.7
95.01308	7.3
95.04969	17.8
95.08604	53.6
97.06528	25.9
97.10166	9.8
99.08048	3.4
105.07029	89.7
107.04948	34.3
107.08592	79.1
109.06518	11.5
109.10157	22.2
111.08076	5.9
112.27818	3.5
117.07021	27.9
119.08573	58.4
121.06493	9.3
121.10148	27.5
123.08065	11.3
123.11741	6.8
125.09622	11.8
125.68368	3.2
126.05505	12.7
129.06932	5.0
130.07747	4.0
131.08591	31.5
133.09239	4.9
133.10139	49.7
135.08015	8.8
135.11659	10.3
137.09618	6.6
138.05482	10.3
141.06958	6.3
143.08568	12.0
145.06531	5.0
145.10135	64.6
147.07980	3.9
147.11668	41.2
147.52022	3.7
149.09607	27.1
149.13237	6.9
151.11179	5.4
155.08505	4.6
157.10178	8.7
159.11684	33.8
161.13249	9.4
163.11166	12.6
168.06577	4.1
169.10127	8.9
171.11624	6.8
173.13258	12.1
175.11136	5.0
179.14340	7.6
183.11667	7.5
184.37323	4.1
185.13319	5.3
187.11244	7.4
187.14851	5.6
189.11143	6.7
197.13313	3.9
201.12782	4.7
204.08690	8.1
229.19582	6.5
232.68895	4.7
239.17920	14.0
247.20425	7.5
257.19028	42.3
275.20065	90.9
295.40918	4.1
312.89172	3.9
345.68997	3.5
349.20218	4.9
349.23734	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10963	2.5
53.03942	6.0
55.01872	23.6
55.05504	54.0
57.03436	28.0
59.05006	3.0
65.03948	3.5
67.05501	70.5
69.03407	3.2
69.06727	3.8
69.07067	41.0
71.04986	5.6
73.02928	3.7
75.04477	14.1
79.05487	100.0
81.03409	10.6
81.07053	61.0
83.04980	12.2
83.08609	14.5
84.04493	10.4
85.06522	3.9
86.74248	2.6
91.05479	72.1
93.07040	58.4
95.01302	3.9
95.04982	13.8
95.08598	37.3
97.06528	22.6
97.10162	14.1
98.21558	8.6
103.05516	4.1
105.07023	77.7
105.07685	5.8
107.04951	26.1
107.08591	76.6
109.06522	8.9
109.10136	14.4
115.05420	3.1
116.06220	2.8
117.07001	24.1
119.08566	40.4
121.06485	8.3
121.10144	21.0
123.08056	5.3
123.11718	4.3
125.09634	10.7
126.05496	15.2
129.06996	9.1
131.08569	31.7
133.10133	39.5
135.08078	7.6
135.11678	13.9
137.09587	5.0
138.05486	9.9
139.73846	3.1
141.07010	3.7
143.08553	8.2
145.10112	64.6
147.11670	38.0
149.09605	32.0
149.13293	6.5
151.11180	5.3
157.10106	6.6
159.11697	22.1
161.13252	5.6
163.11159	12.7
169.10051	7.9
171.11661	7.9
173.11867	3.2
173.13269	11.8
177.12685	4.6
179.14308	7.6
183.11728	7.3
185.13184	4.1
187.11111	5.1
189.11223	11.6
197.13307	6.4
204.08644	8.0
212.15771	2.6
229.19496	4.5
229.48631	3.6
230.63380	3.1
233.78442	2.9
239.17937	12.0
247.20737	3.5
257.18985	34.9
275.20056	61.5
313.02219	3.7
331.22418	4.1
349.19870	5.9
349.23709	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01868	11.9
55.05513	39.9
57.03420	16.1
57.07053	3.4
57.20616	2.9
58.66935	2.6
59.08699	2.8
67.05505	75.7
69.06794	2.8
69.07071	34.2
69.49724	27.6
69.50063	5.1
71.04990	4.8
75.04485	4.4
79.05064	5.1
79.05492	68.1
81.06577	6.4
81.07053	100.0
83.04986	6.6
83.08602	10.2
84.04498	4.9
85.02918	3.2
85.06533	4.5
91.05478	79.6
93.07037	70.5
95.04962	15.1
95.08601	54.5
97.06541	14.8
97.10184	6.1
98.20727	3.3
105.07025	78.8
107.04942	10.7
107.08592	47.8
109.06538	17.3
109.10140	23.9
111.08067	7.5
115.05518	3.0
117.07034	23.6
119.08577	55.6
121.06513	4.7
121.10139	29.1
123.08082	7.8
123.11706	8.3
126.05540	7.7
129.07008	6.3
131.08559	41.1
133.06502	3.3
133.10123	51.5
135.08017	9.4
135.11679	15.9
137.09648	6.7
143.08546	10.1
145.10115	47.4
147.11676	32.6
149.09613	12.7
149.13258	4.7
151.11238	4.1
155.08565	6.4
157.10167	10.3
159.11697	37.1
161.13254	11.3
163.11139	7.3
165.12759	4.7
169.10074	6.4
171.11720	12.5
173.13234	16.8
175.14786	3.6
183.11768	5.5
185.13217	5.0
187.11232	3.5
197.13287	5.8
229.19528	6.3
229.81125	3.5
239.17944	12.8
247.20515	11.4
257.18985	39.4
275.17291	5.6
275.20065	63.2
276.20584	4.0
317.40732	3.4
349.23694	90.1
350.24173	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
54.50137	3.5
55.01873	30.6
55.05508	47.4
57.03442	27.6
61.91016	3.6
65.03947	5.3
67.05505	66.0
69.03420	4.7
69.07069	46.8
69.51725	29.5
71.04967	5.6
75.04475	11.7
79.05072	6.6
79.05495	94.6
81.03419	10.2
81.07059	60.6
83.04962	11.9
83.08620	18.5
84.04491	10.4
91.05479	79.2
92.87500	3.5
93.07044	67.1
95.01316	6.9
95.04939	13.4
95.08614	40.5
96.66763	3.8
97.06535	22.5
97.10178	13.8
105.07030	100.0
107.04940	24.9
107.08592	78.8
109.06516	14.7
109.10157	22.6
111.08104	4.0
111.56705	3.2
117.07016	32.2
119.08586	38.4
121.06489	7.8
121.10166	21.3
123.08043	5.7
123.11708	5.9
125.09602	11.1
126.05505	11.0
129.07019	4.2
131.08566	42.8
133.10132	44.6
135.08044	9.6
135.11713	14.1
138.05519	6.5
139.07483	4.5
141.06995	4.2
143.08556	9.1
145.06566	3.5
145.10110	53.0
147.08046	3.7
147.11703	34.0
149.09613	31.2
149.13303	4.2
151.11151	3.4
155.08580	4.3
157.10124	9.5
159.11720	29.2
161.13226	13.8
163.11188	19.4
169.10118	8.4
171.11713	8.8
173.13266	12.6
177.12685	4.8
179.14360	9.3
183.11717	8.5
187.11205	6.4
189.11203	7.4
197.13216	7.8
204.08633	4.4
229.19475	6.0
234.44533	4.2
239.17873	9.9
247.20580	5.7
257.19009	38.3
275.17242	6.6
275.20050	70.1
349.19772	85.7
349.23758	60.2
350.20148	4.6
350.23932	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	16.1
55.01871	20.3
55.05515	29.0
57.03441	30.0
58.26978	2.1
65.03934	3.7
67.05506	73.3
69.03415	5.1
69.07070	76.1
69.93629	11.8
71.04993	5.8
73.02918	2.8
73.56592	2.0
75.04494	17.9
79.05496	71.5
81.02990	2.8
81.03422	26.8
81.07057	99.3
83.04988	17.6
83.08617	12.1
83.48627	2.2
84.04508	19.6
85.02911	2.8
85.06541	3.8
91.05487	82.0
93.07045	66.2
95.01327	23.6
95.04975	29.4
95.08612	61.0
96.08949	2.6
97.06537	33.9
97.10187	4.3
98.20759	2.4
99.08081	2.5
103.05451	2.8
105.04563	2.7
105.07036	100.0
106.07349	3.2
107.04958	39.9
107.08598	35.2
109.06525	12.7
109.10152	15.4
111.08099	3.8
113.00008	5.5
117.06242	2.7
117.07030	30.3
119.07796	3.9
119.08585	48.4
121.06477	7.9
121.10135	14.6
123.04415	7.8
123.08093	10.3
125.09610	4.1
126.05517	23.7
128.06235	2.8
129.07002	6.4
130.41243	2.2
131.08577	40.4
133.09111	3.3
133.10129	60.1
134.10480	3.7
135.08051	7.7
135.11696	18.2
136.55966	2.1
137.09531	5.4
138.05490	13.3
139.07573	2.1
141.06989	6.8
143.08582	6.4
144.06593	4.0
145.06471	8.8
145.10124	28.3
147.08049	3.2
147.11693	25.1
149.09628	13.7
149.13252	9.0
157.10126	4.8
159.07996	2.5
159.11693	23.0
161.09634	2.3
161.13261	9.0
161.47449	2.2
163.11154	7.7
165.09023	3.3
169.02631	6.0
169.10107	4.0
171.11655	4.2
173.13225	7.6
177.12762	9.2
179.14317	26.3
183.11671	4.5
185.13226	2.0
186.07616	3.1
187.11197	11.9
187.14789	2.2
197.13155	2.8
204.08665	9.3
205.12199	2.9
219.03375	2.0
225.70267	2.0
239.18089	3.3
247.20517	4.0
257.19000	10.9
275.20068	61.3
276.20630	3.6
349.19791	3.6
349.23703	23.5
350.24390	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	349.2372
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
52.93464	1.7
53.03930	4.6
55.01874	9.8
55.05262	3.1
55.05510	37.2
56.60934	1.9
57.03439	20.8
57.07067	7.0
65.03931	4.4
67.05502	100.0
68.05820	2.6
69.03417	2.9
69.07063	46.3
69.93484	3.8
69.93897	7.7
71.04991	5.3
71.08618	4.9
73.88508	1.9
75.04456	3.5
77.03902	2.4
79.05489	75.1
81.03414	2.4
81.07053	89.3
83.04966	9.7
83.08624	15.6
84.04469	2.8
85.06540	5.1
91.05479	77.8
91.48579	2.1
92.05806	1.9
93.07043	66.4
95.04972	18.4
95.08606	61.5
97.06530	13.6
97.10165	4.1
98.21482	3.0
99.08087	5.2
103.05481	5.6
105.07024	82.4
107.04951	12.5
107.08591	47.3
109.06512	20.1
109.10148	26.9
111.08057	4.2
115.05483	4.0
117.07005	28.0
119.08575	57.9
121.06501	8.5
121.10146	26.9
123.08060	48.6
123.11688	10.2
125.09660	5.0
126.05532	4.0
129.06989	8.2
131.08559	28.9
133.06436	2.1
133.10132	54.5
134.99515	2.1
135.08073	12.2
135.11682	15.1
136.06155	5.3
137.09605	12.7
137.13264	3.0
138.05490	2.5
141.06972	4.0
143.08578	7.3
145.10123	25.5
147.11681	32.1
149.09592	17.2
149.13232	7.1
150.10013	2.2
151.11192	4.8
157.10126	7.3
159.11691	23.3
161.09668	2.9
161.13225	12.0
163.11183	9.2
165.12761	2.8
169.10158	6.4
171.11732	7.2
173.13257	17.2
175.11195	3.0
175.14832	4.3
177.12756	5.6
179.14308	62.4
183.11633	5.1
187.11278	2.9
187.14816	5.7
190.69699	2.3
191.14259	4.4
197.13301	5.3
201.12701	2.2
215.17862	2.1
221.13275	2.1
229.19540	8.8
239.17906	4.6
247.20590	7.9
257.19000	14.4
275.20059	69.3
276.20404	3.1
288.69772	2.1
293.21072	14.1
303.26801	2.8
331.22620	3.6
331.26318	12.1
336.65955	2.2
340.05084	2.1
349.23547	45.6
349.27423	78.3
350.24048	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.6
53.03926	7.8
55.01872	21.6
55.05514	35.1
56.76644	2.6
57.03427	29.2
65.03919	5.9
67.05504	83.6
69.03387	3.0
69.07066	43.6
69.41693	8.2
69.42111	17.2
71.04960	5.8
71.18793	2.6
73.02891	2.9
73.63768	2.8
75.04478	18.3
79.05492	79.3
81.03402	9.5
81.06590	5.1
81.07052	90.6
81.59355	2.4
83.04962	10.1
83.08618	16.2
83.14372	2.6
84.04517	18.5
85.02885	5.7
91.05479	84.6
93.06489	4.2
93.07043	71.4
95.01277	2.5
95.04976	17.0
95.08603	57.3
96.04444	3.9
97.06534	22.2
97.10123	8.3
99.12345	2.9
101.14337	2.4
105.07028	94.6
107.04967	15.3
107.08584	50.3
109.06502	13.6
109.10151	20.1
111.08064	5.6
117.07026	32.8
119.08572	58.5
121.06512	7.0
121.10139	22.9
123.08030	8.9
123.11676	8.6
125.09608	5.7
126.05502	26.5
128.06165	3.6
129.06985	9.0
130.07767	3.2
131.08559	45.6
133.10120	66.3
135.08037	8.5
135.11653	14.2
137.09601	6.3
137.13184	2.4
138.05484	17.8
141.06995	5.3
143.08516	10.0
145.09045	5.0
145.10120	68.9
147.11678	39.8
149.09633	18.8
149.13194	8.1
151.11157	4.5
155.08528	8.6
157.10104	10.2
159.11688	39.0
161.09665	2.9
161.13222	11.5
163.11156	12.4
168.06564	5.1
169.10083	5.5
171.11754	15.5
171.13013	3.0
173.13237	19.0
175.11143	4.1
175.14838	4.6
177.12709	4.2
182.64008	2.9
183.11670	10.4
186.07597	4.2
187.14775	4.3
197.13231	8.4
204.08636	13.1
229.19464	9.6
233.19159	3.2
239.17908	17.2
247.20543	10.6
257.19012	50.7
275.20035	80.7
349.19748	20.0
349.23679	100.0
350.23972	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	349.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05508	3.1
57.03425	2.6
57.07067	0.9
64.49393	0.9
67.05508	6.3
69.07063	5.0
70.11670	3.3
79.05488	7.6
81.07044	9.8
83.04994	1.0
83.08621	2.3
91.05465	5.5
93.07039	5.1
95.04957	1.8
95.08599	4.3
97.06516	2.0
97.10156	1.2
105.07034	5.6
107.04969	1.5
107.08600	7.7
109.06522	5.3
109.10152	1.5
111.08063	0.9
117.07009	1.0
119.08589	4.7
121.06547	1.2
121.10142	2.9
123.08069	8.4
128.52316	0.9
131.08603	2.2
131.77968	0.8
133.10161	2.8
135.08041	1.5
135.11702	1.7
145.10114	1.9
147.11699	2.6
149.09682	1.4
149.13220	1.1
157.10048	0.9
159.11696	2.1
169.10112	1.0
179.14331	11.0
260.74796	0.9
275.20074	5.1
293.21088	1.7
349.23523	100.0
349.27371	12.0
350.23578	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	349.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.05500	3.9
56.18824	1.1
57.03424	2.9
57.07088	1.5
67.05508	8.9
69.07063	6.7
71.04978	1.8
72.96386	1.0
79.05484	10.2
79.16940	1.1
81.07056	12.7
83.04981	1.5
83.08612	2.7
84.04489	1.5
91.05498	8.3
93.07058	6.6
95.04971	3.0
95.08613	7.4
97.06535	2.3
97.76722	1.0
100.07627	0.9
105.07021	8.3
107.04936	1.3
107.08598	9.2
109.06523	4.9
109.10136	1.9
111.08025	1.2
117.07017	2.6
119.08560	5.2
121.06481	1.0
121.10153	2.9
123.08084	11.7
129.07048	1.0
131.08566	4.2
133.10165	3.9
135.08072	1.8
135.11682	2.0
137.09561	1.2
145.10172	3.7
147.11702	2.2
149.09592	2.3
149.13301	1.6
153.05879	1.0
159.11731	2.4
161.13219	1.7
163.11195	2.3
171.11597	1.1
173.13336	1.8
179.14322	11.3
180.15030	1.1
182.34773	1.1
207.11545	1.1
212.37518	1.0
229.19482	1.4
235.13191	1.6
247.20564	1.3
257.18988	1.9
275.20081	7.9
293.21109	2.8
331.22791	1.1
349.23557	100.0
349.27454	21.7
350.23709	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	349.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
54.39344	1.6
55.01870	3.9
55.05507	5.0
56.05028	3.1
56.96564	2.3
57.03439	9.5
58.71107	1.7
58.99575	6.4
59.05005	2.6
60.04520	8.1
61.02921	7.2
67.05508	5.6
69.03431	18.4
69.07063	7.8
70.06595	11.4
71.04991	19.3
71.57355	3.1
72.08159	4.4
76.02232	6.0
78.17526	1.7
79.05482	14.3
81.03419	6.7
81.07050	100.0
82.07387	2.3
83.04962	4.2
84.04506	48.9
84.08143	5.4
85.01144	1.7
85.02906	56.5
86.00649	3.4
86.09699	11.3
86.99059	5.9
87.02694	32.3
87.04468	4.3
91.03960	3.5
91.05491	3.8
93.07050	7.4
95.08591	3.8
97.02895	15.0
97.06509	4.8
98.09718	2.2
98.97607	2.4
99.04456	3.0
99.08075	8.9
100.07544	1.8
102.05544	4.0
105.00105	6.4
105.07040	4.4
107.08602	14.6
109.02880	4.2
109.06530	4.2
109.10160	13.4
110.07159	9.6
111.08093	2.4
111.11723	2.1
113.04220	2.2
116.01733	1.6
119.08583	3.6
120.08145	3.3
121.10054	1.9
122.02720	36.9
122.03580	2.5
123.11696	23.5
127.03899	8.5
129.10204	2.2
130.05020	10.1
132.01111	8.7
133.10124	4.4
134.99615	1.8
139.11174	7.5
142.03253	3.8
145.02913	2.3
145.04977	4.5
147.04414	4.1
151.11174	31.7
156.08452	3.8
157.12228	4.2
158.55965	1.8
159.04759	10.1
169.12230	50.4
177.05478	5.2
187.13330	11.4
188.03708	3.3
202.08960	48.7
203.07370	14.5
220.10042	7.7
223.42064	1.8
286.10983	2.2
331.12930	3.4
332.11664	2.2
349.14102	6.3
349.18271	5.5
349.22003	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	349.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
54.39344	1.6
55.01870	3.9
55.05507	5.0
56.05028	3.1
56.96564	2.3
57.03439	9.5
58.71107	1.7
58.99575	6.4
59.05005	2.6
60.04520	8.1
61.02921	7.2
67.05508	5.6
69.03431	18.4
69.07063	7.8
70.06595	11.4
71.04991	19.3
71.57355	3.1
72.08159	4.4
76.02232	6.0
78.17526	1.7
79.05482	14.3
81.03419	6.7
81.07050	100.0
82.07387	2.3
83.04962	4.2
84.04506	48.9
84.08143	5.4
85.01144	1.7
85.02906	56.5
86.00649	3.4
86.09699	11.3
86.99059	5.9
87.02694	32.3
87.04468	4.3
91.03960	3.5
91.05491	3.8
93.07050	7.4
95.08591	3.8
97.02895	15.0
97.06509	4.8
98.09718	2.2
98.97607	2.4
99.04456	3.0
99.08075	8.9
100.07544	1.8
102.05544	4.0
105.00105	6.4
105.07040	4.4
107.08602	14.6
109.02880	4.2
109.06530	4.2
109.10160	13.4
110.07159	9.6
111.08093	2.4
111.11723	2.1
113.04220	2.2
116.01733	1.6
119.08583	3.6
120.08145	3.3
121.10054	1.9
122.02720	36.9
122.03580	2.5
123.11696	23.5
127.03899	8.5
129.10204	2.2
130.05020	10.1
132.01111	8.7
133.10124	4.4
134.99615	1.8
139.11174	7.5
142.03253	3.8
145.02913	2.3
145.04977	4.5
147.04414	4.1
151.11174	31.7
156.08452	3.8
157.12228	4.2
158.55965	1.8
159.04759	10.1
169.12230	50.4
177.05478	5.2
187.13330	11.4
188.03708	3.3
202.08960	48.7
203.07370	14.5
220.10042	7.7
223.42064	1.8
286.10983	2.2
331.12930	3.4
332.11664	2.2
349.14102	6.3
349.18271	5.5
349.22003	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	349.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56873	0.6
55.01862	0.8
55.05508	0.9
57.03432	0.8
58.99581	0.7
65.39359	0.7
70.06569	2.3
70.24967	3.1
72.08134	2.7
77.00894	1.2
79.05473	1.0
81.07045	8.0
84.04504	6.9
84.08096	1.2
85.02914	2.2
86.00663	0.8
86.09682	1.1
87.02711	4.8
99.08033	1.4
105.00106	1.0
117.03373	1.3
119.01894	0.9
119.04925	1.3
122.02725	5.3
127.08623	1.0
128.07056	1.4
130.04987	1.0
131.01851	1.2
131.04987	1.2
132.01160	0.8
138.10226	0.8
145.02824	6.4
147.04416	5.4
153.12776	0.9
155.12946	1.3
156.11293	1.4
159.04694	1.5
171.04439	1.9
173.02901	0.9
175.73166	0.8
177.05464	10.4
179.64403	0.8
185.04192	2.6
187.03691	2.9
187.11913	4.0
189.05486	2.1
202.08958	6.9
203.07399	1.7
205.03481	0.9
224.24326	0.7
247.04471	3.6
265.05585	4.0
265.15173	0.8
289.05698	2.4
307.06747	1.6
331.17673	2.5
337.97781	0.8
349.08942	100.0
349.17111	3.6
350.09186	2.0
367.08752	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
57.03441	0.3
58.27339	0.2
60.04523	0.4
60.24245	0.2
60.71290	0.2
61.61848	0.2
67.05508	1.5
69.07069	0.7
69.76073	1.0
69.76485	0.4
71.04955	0.3
72.72876	0.2
79.05476	1.0
80.94163	0.3
81.07058	2.0
83.08601	0.3
85.06521	0.3
91.05478	1.0
93.07028	1.4
94.04052	1.0
95.04942	0.5
95.08612	0.8
97.06513	0.5
98.20804	0.5
104.05885	0.2
105.07016	0.9
107.08597	1.0
109.06496	0.3
109.96726	0.2
117.06999	0.3
119.03552	2.4
119.08549	0.2
121.10149	0.5
123.11642	0.3
131.08551	0.5
132.08096	0.6
136.06178	100.0
137.04607	2.7
137.06566	0.5
145.10068	0.3
149.13251	0.5
151.03859	0.4
178.08582	0.3
275.20203	0.4
286.16565	0.5
305.38953	0.2
330.19235	7.7
348.20291	36.2
349.20615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.74358	0.7
63.00151	0.6
69.52807	5.8
71.42142	0.6
82.52983	0.6
134.17352	0.6
135.08109	0.7
142.41203	0.7
277.14154	1.2
314.43439	0.8
347.21924	100.0
348.22430	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	348.0706
Annotation	3'-AMP
Peak:m/z	Relative Intensity
50.71345	0.2
53.03926	0.3
55.01870	0.3
55.05495	0.3
56.05015	0.7
56.96570	1.0
57.03428	0.8
60.04514	2.0
61.02920	0.6
62.88678	0.2
67.05492	0.3
69.03420	1.9
69.07058	0.3
69.47162	0.2
70.06593	1.3
71.01370	0.2
71.56612	0.2
72.08148	0.9
73.02882	0.3
74.06064	0.8
79.05494	0.3
81.03403	0.5
82.06580	0.2
83.04962	0.2
83.06094	0.4
84.04498	3.8
84.08142	1.6
85.02905	6.7
85.08474	0.4
86.06046	0.3
86.09217	0.4
86.09705	5.7
87.05563	0.3
87.10014	0.4
88.03996	1.1
89.94351	0.2
91.05475	0.4
91.32262	0.2
93.07030	0.4
94.04069	0.3
95.04948	0.3
96.58453	0.2
97.02899	2.8
98.06012	0.3
98.97592	0.6
98.98458	2.7
101.07159	0.4
102.05521	1.2
106.05046	1.3
108.15194	0.2
109.02794	0.2
110.05994	0.3
110.07222	0.3
112.84718	0.2
115.03925	0.2
116.07065	0.3
116.98632	0.6
119.01859	0.2
119.03548	0.8
123.04417	2.3
126.05513	1.1
127.03912	0.3
129.06601	0.6
129.10210	0.5
130.04997	0.8
130.08685	0.2
132.10181	0.6
133.05011	0.2
134.06123	0.3
134.99626	0.2
136.06183	100.0
137.04631	1.4
137.06509	0.8
139.03976	0.2
144.04018	0.5
144.06575	0.8
146.99609	0.3
147.07651	0.4
148.06050	0.4
151.03886	0.4
152.07066	0.3
154.04951	0.5
162.07646	0.4
164.99500	2.3
165.00739	0.3
167.07033	0.6
168.06596	0.3
169.04944	0.9
171.07713	0.4
173.12845	0.8
176.08203	2.9
186.05083	0.5
186.06630	0.7
187.02380	0.2
187.14500	0.3
188.08189	3.8
189.00610	0.3
189.07202	0.2
189.08727	1.7
191.03394	0.3
197.12941	1.4
197.14644	0.3
201.12204	0.2
203.09245	1.4
213.01617	0.6
214.06100	2.4
215.13951	1.5
217.08244	1.2
231.08736	0.3
232.07318	0.2
235.09309	0.4
237.02882	0.4
243.13440	0.5
259.08319	0.4
277.09335	0.3
303.10834	3.5
304.53629	0.2
330.06107	0.5
348.07050	5.2
348.13028	6.8
348.16925	0.5
371.45621	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	347.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76501	11.4
69.40292	100.0
74.86864	9.1
87.78844	9.3
96.00850	10.5
104.73347	9.3
118.26385	9.6
120.29456	9.6
160.19418	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	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
50.20070	1.0
55.05500	1.4
55.77249	1.2
56.96536	1.1
67.05511	1.4
69.39187	4.2
69.39613	7.1
79.05505	2.1
84.82234	1.3
91.05504	1.8
93.07035	1.7
95.08591	2.0
105.07030	1.3
111.06604	1.2
133.10124	1.5
149.01256	1.3
347.21915	100.0
348.22055	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	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01862	5.8
57.03431	1.9
58.16734	1.5
59.94830	1.5
60.16360	1.4
67.05494	2.5
69.03416	3.4
69.07059	1.7
70.06586	1.6
70.70903	4.4
72.08133	2.1
79.05459	2.3
81.03388	2.8
81.07053	1.9
82.07941	1.3
83.08648	1.5
84.08145	1.7
86.09705	1.7
89.05945	1.4
91.05493	5.5
93.07041	4.2
95.04956	3.6
95.08512	1.5
105.07012	2.8
107.08585	3.1
108.04529	1.3
109.78413	1.5
115.05418	1.6
118.06487	1.4
119.08615	1.9
121.02842	1.4
121.06545	2.4
122.06037	1.7
129.07048	2.1
130.06557	2.0
133.10117	2.4
136.06195	2.6
137.05957	2.9
143.08585	1.4
144.08095	2.1
145.10176	1.8
147.04428	2.5
147.11714	1.7
152.03394	2.2
156.08214	1.6
156.55035	1.6
158.09607	1.7
167.07132	2.0
168.08006	1.7
170.08183	1.6
178.05042	3.9
186.09134	1.7
187.05038	2.7
193.12369	1.8
194.94519	1.7
197.07130	2.4
198.07791	1.6
199.08664	6.1
201.06630	6.9
201.10358	2.3
205.06384	2.0
206.07155	1.9
210.09157	2.6
211.08665	2.4
213.06569	6.0
213.10237	7.3
227.08185	11.0
227.11757	3.5
229.09732	4.4
231.07623	5.0
237.10269	2.7
238.08702	3.4
239.08260	2.1
241.09830	7.7
245.09329	1.6
250.07541	1.7
255.07722	11.4
255.11288	10.3
257.09256	3.1
259.10812	2.3
265.09680	4.5
267.07645	2.2
269.09219	11.2
273.08804	7.0
283.07791	2.9
283.10770	25.6
287.10281	4.6
293.09146	6.4
301.11740	4.6
311.10275	44.6
312.10571	2.5
319.12778	3.1
329.11322	100.0
330.11615	3.8
347.12360	83.3
348.12714	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	347.0759
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.01876	0.5
59.88695	0.6
68.99778	1.9
69.03417	0.8
70.06586	0.7
70.53821	1.3
70.54211	1.0
79.05470	0.9
80.39110	0.6
81.03415	1.1
81.07049	0.9
92.86929	0.5
93.07061	0.8
97.02910	0.8
115.05496	0.5
136.06195	2.2
137.02353	0.8
137.05908	1.3
139.03905	1.1
151.03885	1.4
152.04686	3.5
153.01826	37.9
154.02251	0.6
163.03941	1.1
165.01820	3.1
167.03377	1.8
171.04417	1.1
179.03418	1.5
180.04201	3.6
188.04738	0.9
191.03406	2.4
193.04974	1.9
203.03438	0.7
205.05054	0.6
209.00783	1.5
209.04480	1.6
215.03276	1.1
216.04153	2.1
219.02908	2.4
221.04576	1.4
224.03152	1.3
227.03473	1.7
233.04442	0.7
243.02829	1.0
244.03700	6.4
245.04524	0.7
247.02367	1.2
255.02881	11.2
256.03662	0.7
259.06039	4.9
260.03232	1.4
261.03934	7.1
271.02390	1.3
272.03122	1.8
273.03931	1.0
283.02344	1.7
287.05524	7.3
289.03378	6.4
299.01801	2.5
300.02676	10.3
301.03107	1.0
303.04993	12.7
304.05688	4.6
314.04181	1.6
315.04962	29.6
316.05374	1.5
317.02798	1.2
329.18002	3.2
332.05283	20.0
333.05475	0.8
347.07605	100.0
347.18924	4.5
348.07977	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	347.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01866	6.2
55.05518	2.6
56.05025	6.3
56.18896	2.5
56.37081	2.8
57.03447	3.9
60.04530	4.4
61.02928	3.5
67.05499	6.5
69.03421	7.5
70.06583	7.4
71.57388	3.2
72.08154	8.6
81.03422	3.2
81.07070	2.8
82.06583	4.2
84.04508	8.3
84.08141	33.6
85.02902	19.3
86.09717	12.3
91.05482	5.0
93.03427	5.1
93.07059	7.8
95.04981	4.7
95.08655	3.2
97.02894	12.8
98.80337	3.0
99.04465	4.1
103.03918	4.9
107.04942	5.2
108.08098	17.7
109.02869	3.8
109.08467	18.5
110.09688	5.3
111.04429	4.0
117.46428	2.5
123.04429	6.3
124.07568	4.6
125.07937	4.1
127.03915	3.1
129.10242	12.2
130.05022	9.7
130.08653	5.2
134.06067	5.1
135.04411	10.7
136.06192	43.8
136.07539	7.2
137.07922	4.4
139.03902	100.0
141.35805	3.0
147.07610	4.2
151.03903	28.2
152.07066	8.6
153.07399	12.4
163.03900	34.1
165.05592	3.2
167.03407	35.5
167.04880	4.4
167.05338	4.8
175.03967	6.2
177.05484	6.1
179.03387	19.6
181.04941	33.5
185.04454	28.1
185.06410	9.5
191.03378	19.7
197.04475	8.8
205.04961	21.6
209.04489	20.6
212.12869	3.7
227.05489	5.2
229.04961	5.1
233.04486	7.9
235.06064	3.9
239.13968	3.6
247.05927	12.9
251.05544	5.8
261.09558	3.9
265.06912	5.2
272.03864	2.8
275.05347	6.8
279.09250	5.0
299.30475	3.1
303.10474	37.5
315.12698	12.0
329.17032	6.0
329.20602	3.4
347.02878	3.3
347.09467	63.8
347.15216	10.8
347.22333	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	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45052	8.4
55.05511	46.9
57.03433	15.3
65.03952	13.3
66.48220	10.2
67.05505	95.4
69.03423	11.6
69.07057	38.4
69.54543	72.1
79.05496	23.1
81.07053	61.5
83.04985	10.7
83.08629	20.9
91.05486	35.9
93.07045	50.5
93.15681	9.5
95.04951	15.6
95.08613	31.1
97.06522	10.9
97.10201	16.2
105.07046	29.1
107.08607	38.3
109.10179	50.9
111.08123	15.3
117.06998	12.1
119.08585	29.4
121.10163	27.6
125.09634	14.4
131.08534	12.6
133.10120	19.8
133.50002	10.8
135.11774	11.9
143.08643	14.4
147.11703	11.8
148.25531	10.1
155.10719	14.9
163.11157	10.2
173.11729	100.0
189.11095	9.6
243.21779	11.4
275.19943	22.9
336.50473	10.5
346.27240	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87725	0.7
53.03945	0.9
55.05510	14.0
56.05029	1.2
56.96557	1.2
59.90923	0.8
60.04512	3.0
60.05645	3.0
62.06081	1.0
62.30946	0.7
65.53123	0.6
67.05491	1.9
67.30379	0.7
69.07066	1.8
70.02937	0.9
70.06591	7.1
71.58261	1.0
72.08157	100.0
73.06413	1.0
73.08492	0.9
74.00678	2.1
79.05496	1.5
81.07040	1.8
84.04512	4.6
84.08159	5.4
86.07183	2.6
86.09706	24.5
87.07949	1.3
88.04002	6.3
89.03909	0.9
91.05482	2.3
93.07053	1.7
97.07687	1.5
98.06037	6.9
104.07098	0.9
107.04942	1.4
110.02395	1.4
112.08737	1.5
113.10782	1.3
114.10281	5.0
115.03286	5.7
115.08706	3.3
117.03362	2.6
118.93370	0.7
119.08523	0.7
124.07612	1.2
129.07065	0.8
129.10234	1.2
130.05045	0.9
131.12938	2.5
132.10214	11.1
141.10233	2.7
142.08659	1.7
143.11809	2.4
145.02847	8.3
147.04430	2.6
148.05194	1.6
149.05946	1.0
152.07071	0.9
153.11389	1.7
156.04395	2.2
157.10855	15.4
161.05974	0.8
163.03946	2.2
166.08638	2.6
169.09717	8.7
170.04210	0.8
170.06091	1.0
170.14017	1.2
175.03889	3.4
176.04643	2.5
177.05487	12.9
184.03908	4.4
187.10782	18.7
188.07162	0.9
201.12352	4.4
210.14853	1.2
212.09200	1.7
215.10275	16.9
216.06557	12.2
218.06006	3.8
229.11838	2.9
246.11099	1.0
247.12901	15.5
264.49838	0.8
275.11371	1.9
286.15414	1.7
287.13828	3.7
302.19510	1.8
303.04935	2.3
305.16077	4.8
306.16891	5.0
329.16040	2.7
346.18698	20.3
346.22122	1.6
346.25592	1.1
347.07639	1.8
347.18854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87725	0.7
53.03945	0.9
55.05510	14.0
56.05029	1.2
56.96557	1.2
59.90923	0.8
60.04512	3.0
60.05645	3.0
62.06081	1.0
62.30946	0.7
65.53123	0.6
67.05491	1.9
67.30379	0.7
69.07066	1.8
70.02937	0.9
70.06591	7.1
71.58261	1.0
72.08157	100.0
73.06413	1.0
73.08492	0.9
74.00678	2.1
79.05496	1.5
81.07040	1.8
84.04512	4.6
84.08159	5.4
86.07183	2.6
86.09706	24.5
87.07949	1.3
88.04002	6.3
89.03909	0.9
91.05482	2.3
93.07053	1.7
97.07687	1.5
98.06037	6.9
104.07098	0.9
107.04942	1.4
110.02395	1.4
112.08737	1.5
113.10782	1.3
114.10281	5.0
115.03286	5.7
115.08706	3.3
117.03362	2.6
118.93370	0.7
119.08523	0.7
124.07612	1.2
129.07065	0.8
129.10234	1.2
130.05045	0.9
131.12938	2.5
132.10214	11.1
141.10233	2.7
142.08659	1.7
143.11809	2.4
145.02847	8.3
147.04430	2.6
148.05194	1.6
149.05946	1.0
152.07071	0.9
153.11389	1.7
156.04395	2.2
157.10855	15.4
161.05974	0.8
163.03946	2.2
166.08638	2.6
169.09717	8.7
170.04210	0.8
170.06091	1.0
170.14017	1.2
175.03889	3.4
176.04643	2.5
177.05487	12.9
184.03908	4.4
187.10782	18.7
188.07162	0.9
201.12352	4.4
210.14853	1.2
212.09200	1.7
215.10275	16.9
216.06557	12.2
218.06006	3.8
229.11838	2.9
246.11099	1.0
247.12901	15.5
264.49838	0.8
275.11371	1.9
286.15414	1.7
287.13828	3.7
302.19510	1.8
303.04935	2.3
305.16077	4.8
306.16891	5.0
329.16040	2.7
346.18698	20.3
346.22122	1.6
346.25592	1.1
347.07639	1.8
347.18854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
56.05024	2.3
56.34570	0.5
56.96553	2.3
61.02893	0.6
66.94103	0.6
69.03426	0.8
70.06589	1.2
70.83006	1.5
72.08134	0.5
78.68912	0.5
79.05465	0.7
82.06575	0.7
84.08157	2.7
85.02903	0.6
96.08110	1.1
106.02695	0.5
106.06561	0.6
109.82220	0.5
123.06824	0.8
124.07582	3.3
128.98586	0.6
130.08647	0.5
134.06017	51.8
135.06363	1.0
146.99677	0.5
152.07065	100.0
153.07379	1.3
184.09694	61.4
185.10068	1.1
207.81221	0.5
214.08249	1.9
228.64392	0.5
287.85678	0.6
346.15207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	1.6
52.94145	1.6
55.05517	9.4
59.04863	3.1
59.05807	1.8
60.05644	13.6
63.35440	1.4
70.06586	23.9
70.97081	4.2
70.98003	1.5
72.08150	38.7
73.06392	2.7
74.60947	1.9
84.08144	3.8
84.63168	1.6
86.07185	12.6
86.09689	7.4
87.07987	9.5
89.03896	5.0
95.05051	1.8
97.07642	11.0
98.06058	24.6
99.27036	1.5
100.08757	2.8
102.53677	1.8
111.09206	2.5
112.08706	4.8
114.10296	32.5
115.08680	11.0
116.07089	2.0
116.95885	1.7
117.03384	9.4
119.04932	2.2
125.59548	1.7
128.04970	2.0
129.11269	2.1
130.04112	2.2
131.12910	8.1
135.04417	3.8
137.06035	2.6
145.02837	33.2
146.03596	3.3
147.04385	15.0
148.05159	5.9
149.06010	3.0
152.07072	3.1
153.11362	4.6
156.04463	7.4
157.10849	63.9
158.03691	2.7
161.05983	4.0
163.03871	13.9
170.13998	4.1
174.05550	2.0
175.03929	21.7
176.04692	19.5
177.05460	44.0
182.08112	2.8
184.03932	24.6
188.07074	5.9
189.32057	1.7
199.81839	1.7
200.09233	1.8
202.05005	3.5
216.06570	54.9
245.12828	2.7
246.11270	5.7
248.03178	1.8
270.12436	3.0
275.11423	5.9
277.16504	2.4
286.15338	5.6
287.13794	13.5
288.13519	4.2
304.16434	2.9
305.16068	26.1
306.16876	35.8
314.11069	1.8
329.16003	16.4
346.18726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01887	0.6
61.02921	2.2
65.03938	1.2
67.05500	4.1
69.03430	5.8
70.06570	0.9
70.21999	2.9
71.05028	0.5
72.08141	1.9
73.02924	1.7
79.05511	0.5
81.03403	1.5
81.07043	1.2
84.04511	0.7
84.08131	1.2
85.02901	4.8
86.09707	0.8
87.04469	1.6
93.05802	1.1
97.02885	2.8
106.06553	2.2
107.07325	0.7
108.08116	100.0
109.02907	1.3
109.08455	1.4
123.06810	4.3
124.07598	12.9
127.03901	1.1
129.10246	0.9
134.06009	8.6
136.07579	23.9
152.07066	59.7
153.07375	0.9
154.08607	1.8
166.04951	0.7
166.08611	1.3
168.28725	0.6
178.76381	0.6
184.06145	1.0
184.09688	4.4
189.57727	0.5
314.12332	38.1
315.12479	0.8
346.14957	44.6
347.15189	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.5
55.05511	21.6
57.03436	7.1
57.07071	5.6
59.05017	3.1
59.67401	2.3
67.05503	31.0
69.03425	6.9
69.06721	4.0
69.07072	54.3
71.04989	4.5
71.08598	3.5
71.58216	5.4
74.74842	2.6
74.90942	2.6
79.05485	19.4
81.03421	4.6
81.07058	73.9
82.07379	2.6
83.04960	4.0
83.08614	17.8
84.08154	5.2
85.02902	3.4
85.06542	10.7
86.09700	3.6
91.05496	15.1
93.07050	33.7
95.04981	8.3
95.08604	52.4
97.06522	11.6
97.10183	5.5
99.08080	8.0
103.05441	6.3
103.65627	2.8
105.07008	12.5
107.04919	3.3
107.08602	24.8
109.10165	25.8
109.99801	2.5
111.04438	3.3
111.08087	9.5
111.11710	10.3
112.11181	2.4
115.05447	3.4
117.07045	3.8
119.04933	10.0
119.08570	11.1
121.10123	14.7
123.04431	70.3
123.11716	27.3
124.04702	3.9
127.11073	2.7
131.04933	7.5
133.10149	7.0
135.04396	6.0
135.11687	15.1
137.02325	3.6
137.05980	21.7
137.13272	16.5
139.03918	8.5
139.11171	4.0
145.10136	3.4
146.64215	2.5
147.04402	34.2
147.08025	3.5
147.11676	3.7
149.05878	3.0
149.13293	16.9
151.03891	42.0
153.01839	33.0
153.12755	5.3
159.08075	3.5
161.05925	8.5
161.13252	5.7
163.03877	4.2
163.07495	4.4
163.14774	3.9
165.05461	16.7
165.06792	3.3
167.07051	5.8
172.03961	3.0
175.03920	5.2
175.07480	3.5
177.05484	4.0
178.02623	12.8
179.07030	2.9
180.53561	2.5
181.04977	3.5
191.07045	8.0
193.04985	12.1
193.08612	34.1
204.06458	4.9
205.08531	4.0
217.19525	4.7
223.09630	3.8
225.09349	2.7
228.04158	5.9
229.04994	3.9
256.03662	8.8
284.03165	60.4
284.06387	5.0
285.03668	6.4
287.05591	3.9
299.05576	15.9
302.04095	5.9
303.05276	4.0
303.08710	7.4
309.27850	5.9
312.02652	78.6
313.03024	7.4
313.10596	13.8
314.11450	4.0
315.04959	3.8
317.06607	8.3
327.05032	100.0
327.08490	5.9
327.12384	5.5
327.25314	5.8
328.05331	12.2
330.07297	6.1
345.05978	40.3
345.09702	20.2
345.13403	15.5
345.20599	4.5
346.13623	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
53.34528	0.7
55.01859	2.1
55.05508	30.4
57.03194	0.8
57.03436	9.1
57.07056	2.8
65.03902	1.0
67.01844	1.0
67.05500	28.2
68.99792	1.5
69.03419	1.8
69.07064	34.2
69.38042	2.2
69.38466	5.2
71.04976	2.8
71.08614	1.6
72.26751	0.8
79.05486	11.9
81.03415	1.6
81.07050	35.8
83.04955	3.3
83.08152	1.1
83.08620	19.5
84.08125	1.9
85.02902	1.1
85.06535	3.8
87.04478	1.0
91.05471	8.7
93.07035	12.1
95.04943	2.5
95.08601	35.7
97.02918	0.7
97.06526	5.0
97.10171	12.5
99.08076	1.9
101.06017	0.9
103.05445	1.2
105.07003	6.7
107.04922	1.2
107.08590	9.6
109.02836	1.8
109.06515	1.9
109.09469	1.2
109.10151	15.0
111.08094	3.8
111.11726	4.3
113.09599	0.8
115.05441	1.0
117.06952	1.2
119.04919	3.3
119.08567	6.2
121.02853	0.7
121.10140	11.0
121.58360	0.7
123.03572	1.3
123.04423	21.7
123.08047	1.5
123.11719	5.7
125.09650	1.2
125.13279	1.0
127.03928	1.5
127.07538	0.9
129.05435	1.4
129.09171	0.8
131.04922	2.2
131.08594	0.9
133.10110	6.1
135.04388	0.8
135.11691	11.8
137.02415	1.1
137.06010	3.9
137.09596	1.5
137.13242	2.8
139.03862	3.3
139.11171	3.0
147.04408	10.0
147.11676	3.7
149.02338	0.8
149.13242	2.7
151.03896	13.3
151.07463	0.7
151.11179	1.4
151.14818	1.4
153.01788	4.5
153.12764	3.0
157.10100	0.9
159.04428	1.1
159.07959	1.1
159.11653	0.9
161.02312	1.3
161.05984	3.1
161.13203	3.8
163.03889	0.9
165.05489	4.8
165.06755	0.9
165.12717	2.1
167.03342	4.6
171.11653	0.9
173.05962	1.4
175.03891	1.4
175.14789	1.7
181.04993	1.0
184.92230	1.0
187.03922	1.2
189.05457	1.4
191.03432	1.3
191.07047	1.7
193.05011	2.0
193.08586	13.5
193.19519	1.4
203.03412	1.3
205.04910	1.4
205.08583	1.3
207.06432	1.1
211.03903	1.3
215.03331	2.0
215.10677	1.0
217.19534	7.0
223.02312	3.6
229.04944	4.8
235.20534	6.8
239.03265	5.4
253.21693	1.7
257.04468	2.1
271.02353	1.2
275.05530	1.2
284.03174	1.7
285.04034	6.8
285.11078	1.0
286.04422	1.1
289.71875	0.7
303.05249	1.3
303.08582	4.6
309.24292	3.7
309.27423	0.9
313.03400	100.0
313.10654	4.2
314.03809	11.9
317.06659	2.1
327.04935	1.9
327.25284	15.5
329.06696	2.0
345.06055	5.7
345.09601	1.4
345.13181	4.5
345.26410	10.8
345.32877	1.4
346.06573	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	345.2634
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.94705	1.9
53.03943	3.9
54.02820	2.0
54.26629	1.8
55.01862	3.4
55.05510	84.0
57.03436	32.0
57.07068	10.1
63.60755	2.1
65.03934	2.3
66.65731	2.0
67.05502	79.8
68.13192	2.0
68.90571	2.1
69.07066	98.9
71.04981	6.6
71.08617	2.6
71.58380	3.3
71.59084	2.3
79.05492	33.9
81.07055	98.3
81.65156	2.2
83.04958	3.6
83.08614	58.9
85.06545	6.0
85.10217	1.9
86.09705	2.5
88.14071	2.0
91.05473	22.9
91.40247	1.8
93.07040	40.6
95.04987	5.6
95.08607	100.0
97.06521	17.4
97.10178	38.2
99.08109	3.1
101.65055	1.9
105.07020	15.7
107.08592	17.8
109.06506	2.3
109.10155	37.2
111.08066	7.6
111.11731	11.5
113.09697	2.2
115.07563	2.2
119.08583	14.8
121.10132	30.7
123.08037	4.4
123.11715	16.1
125.09657	5.2
131.04955	2.3
133.10114	15.6
135.11685	28.6
137.09641	4.0
137.13272	6.7
139.11176	3.6
147.11661	12.4
149.13251	8.9
151.03926	3.6
151.11314	2.1
151.14813	4.6
151.41719	2.1
153.12764	7.2
161.13261	9.5
163.14781	2.2
165.12730	4.2
167.03470	2.4
179.14258	3.0
185.46715	2.1
217.19487	17.6
235.20578	17.2
251.16817	2.1
253.21608	6.3
272.40991	1.9
309.24286	9.3
327.05103	9.6
327.25308	39.2
345.26303	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	345.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19316	30.5
67.05501	41.0
69.93903	100.0
69.94316	49.5
81.07092	39.1
113.92116	27.9
162.98953	27.5
288.50247	35.1
313.01547	30.3
367.76593	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2058
Annotation	Trigonochinene A
Peak:m/z	Relative Intensity
51.37751	7.5
55.05503	27.4
56.96558	38.3
64.72747	8.3
67.05495	39.4
69.07060	56.2
71.59367	13.1
79.05486	52.9
81.07044	30.6
81.39748	6.7
83.04922	8.7
83.08616	15.9
91.05467	54.1
93.07042	53.5
95.04938	11.4
95.08592	37.2
97.10168	16.4
105.07034	64.8
106.07385	8.2
107.04987	8.7
107.08586	89.0
107.43890	8.7
108.04726	8.0
108.08899	8.5
109.10152	16.0
111.08002	8.8
115.05457	7.9
117.07043	25.5
119.08573	64.8
121.10141	66.0
124.92292	7.9
125.09615	9.3
128.06194	14.6
129.07030	17.2
131.08582	42.7
133.06503	24.5
133.10127	64.1
135.08028	29.6
135.11699	22.7
137.05968	10.2
142.07762	15.0
143.08562	34.3
145.10123	30.4
147.08037	21.0
147.11705	18.1
147.42630	8.0
149.09608	18.1
155.08577	23.8
156.09286	11.1
157.10173	38.5
159.08043	21.0
159.11702	20.2
161.09645	8.0
161.13269	8.3
163.07469	8.5
163.11107	12.3
167.10684	17.9
169.10114	42.1
171.08134	9.7
171.11668	38.6
173.09619	51.4
175.11224	9.5
177.09056	13.9
181.10114	12.8
181.12100	8.4
183.11732	57.3
185.13274	22.9
187.11156	7.8
191.10406	10.8
193.10135	22.7
195.11740	15.6
195.13600	9.4
196.12405	12.2
197.09587	42.1
197.13155	16.1
199.11143	27.4
203.12813	10.3
204.13058	13.3
207.11621	8.4
209.13365	8.8
211.11198	39.1
211.14792	39.6
213.12685	10.1
217.07391	7.8
218.38060	7.8
221.13156	10.5
223.14796	10.9
225.09119	16.4
225.12773	29.9
225.16338	64.0
231.10536	10.0
235.14807	31.8
239.14320	10.4
239.17905	28.3
249.16321	23.1
253.15846	68.1
257.11749	33.9
267.17386	83.8
271.16940	19.7
278.21973	12.9
285.15152	8.2
285.18494	21.0
295.16907	100.0
299.20016	78.9
309.18436	19.6
313.17953	20.2
327.19571	96.1
332.16220	10.8
345.09598	18.2
345.20566	35.4
349.17047	9.1
350.17053	16.1
364.18619	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	345.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58644	0.6
53.03938	1.4
55.01862	1.0
55.05509	0.9
65.03929	1.3
67.05486	2.3
69.03417	0.9
69.07066	3.9
69.66397	4.7
70.06585	1.5
71.04984	0.9
72.08150	1.5
79.05495	1.6
81.03405	1.0
81.07018	1.4
84.04505	1.2
84.08144	2.0
85.02918	1.4
86.09700	1.2
89.03896	1.5
91.05463	3.0
93.07054	4.0
94.06563	12.3
95.04956	2.7
95.08598	0.8
96.04498	1.0
97.02884	2.3
97.06517	0.7
99.04469	1.0
100.23105	0.7
107.08588	1.0
108.08102	2.2
109.02874	2.8
110.06018	1.6
111.08082	1.9
112.07586	2.0
116.04980	7.7
118.06548	1.0
119.08538	1.4
122.03634	0.9
122.05165	1.3
122.06024	18.4
123.04442	1.5
127.03919	2.2
131.04996	0.6
134.06000	0.9
136.07550	0.8
137.02322	1.0
137.05978	9.1
140.07065	27.7
141.07819	1.0
144.04456	16.5
144.05591	0.9
145.05063	0.8
145.15668	0.6
146.06038	7.3
147.04379	1.4
148.07509	1.0
162.05505	6.7
165.06895	0.7
167.07025	1.2
172.03928	58.9
173.04300	1.1
174.05464	2.5
177.05539	0.9
178.08667	1.0
190.05000	1.9
191.07050	1.2
192.06444	0.8
204.06557	100.0
205.06993	2.8
206.08125	11.1
207.08130	0.8
208.46170	0.7
217.06944	1.0
267.10577	0.7
300.12207	1.7
313.11179	2.5
331.12753	1.6
345.05930	4.4
345.14136	2.8
345.23892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.097
Annotation	3',4'-Dimethoxywogonin
Peak:m/z	Relative Intensity
50.41516	0.2
55.01847	0.4
55.05512	2.0
56.05005	0.5
57.03415	0.6
57.07071	0.5
67.05500	1.4
68.62586	0.3
69.03423	0.3
69.07061	2.0
70.06591	0.4
70.60929	0.9
71.04969	0.3
74.86738	0.2
79.05460	0.9
81.07063	2.3
83.08638	1.4
84.08144	19.7
91.05469	0.8
93.07043	1.6
95.04946	0.4
95.08596	1.6
97.06483	0.5
97.10154	1.0
100.04697	0.3
105.06997	0.4
107.08595	0.6
109.02904	0.4
109.10173	0.6
111.04414	0.5
115.05423	0.4
117.06999	0.4
119.08561	0.7
121.10116	0.8
123.04424	0.7
123.11685	0.4
124.05247	0.3
130.08615	1.4
131.04893	0.3
133.10153	0.6
135.11688	0.8
137.05992	1.5
145.06422	0.5
145.10130	0.4
147.04405	0.4
147.11281	0.8
151.03932	1.7
151.05026	0.4
157.10001	0.4
161.05927	0.7
165.05550	0.8
167.03412	1.4
167.07062	0.4
171.04405	0.6
175.07504	1.0
188.04527	0.3
191.07016	0.5
193.04967	0.4
203.07030	2.7
214.11111	0.3
216.04178	1.8
217.04927	0.5
217.19658	0.4
227.03210	0.4
231.06517	15.4
232.06802	0.3
237.13162	0.3
243.06581	0.6
244.03624	0.8
245.04430	0.6
257.08252	0.3
258.05225	0.4
259.06021	24.8
260.06503	0.3
269.04419	0.4
271.06094	0.9
272.03104	1.1
273.03836	0.3
282.24274	2.0
284.03278	0.3
285.07529	0.4
287.05493	25.4
288.05853	0.7
295.09619	0.6
299.05316	0.4
300.02606	0.8
301.07114	2.0
302.07663	0.7
313.06827	0.9
313.10672	0.8
314.04330	1.3
315.04977	51.3
316.05313	1.6
327.04889	0.6
327.25476	1.2
329.06567	4.3
330.07330	55.6
331.07596	1.8
345.09683	100.0
345.27374	3.4
346.10074	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0969
Annotation	Araneol
Peak:m/z	Relative Intensity
55.05516	1.1
55.05712	0.2
57.03407	0.4
67.05499	1.1
68.63163	0.2
69.03400	0.3
69.07058	1.5
69.75259	1.2
72.08125	0.2
77.47033	0.2
79.05444	0.7
81.07044	1.6
83.08598	0.9
84.36297	0.2
91.05449	0.7
93.07008	0.6
95.01330	0.4
95.08595	1.5
97.10147	0.4
103.66660	0.2
105.07003	0.5
107.01280	0.5
107.08564	0.5
109.02852	0.5
109.10139	0.6
111.04408	0.2
119.08572	0.3
121.10100	0.5
122.03651	0.3
122.99980	0.3
123.00754	1.4
123.11679	0.3
124.05166	0.7
131.04893	0.3
135.00745	0.3
135.04387	0.3
135.11621	0.6
137.05931	0.4
137.13228	0.3
141.05515	0.2
151.00276	0.5
151.03894	7.1
151.05093	0.4
152.01038	0.6
153.01779	0.4
163.03870	0.5
167.03433	1.1
169.01302	0.4
171.04420	1.0
175.07556	0.5
181.01349	0.3
188.04652	0.4
199.03879	1.5
203.06970	1.1
213.05418	0.5
216.04192	3.5
217.04893	0.2
217.19417	0.2
227.03378	1.2
231.06494	3.5
241.04881	0.4
244.03667	6.5
245.04532	0.3
255.02887	1.3
259.06009	8.4
260.06573	0.3
269.04315	0.3
270.05261	0.4
271.05844	0.4
272.03143	9.7
273.03433	0.3
283.02478	1.2
283.05258	0.3
284.03198	2.1
287.05493	22.3
288.05823	0.8
298.04745	0.8
300.02643	12.0
301.03595	0.4
301.07132	0.5
302.07861	0.8
313.03522	0.5
313.07043	0.5
314.04187	2.2
315.04968	66.7
316.05396	2.3
327.25330	0.6
329.06531	4.2
330.07318	57.4
331.07654	2.6
345.09671	100.0
346.09967	4.8
354.06696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0967
Annotation	Robinetin trimethyl ether
Peak:m/z	Relative Intensity
53.25666	0.2
61.99382	0.2
62.13772	0.2
67.05463	0.3
69.07028	0.3
70.12970	1.3
76.18137	0.3
86.43912	0.3
95.08603	0.4
105.03375	0.3
109.11845	0.3
121.10051	0.3
129.46840	0.2
151.03880	1.2
161.02249	0.3
166.69078	0.3
167.03377	1.2
175.07497	0.9
185.05902	0.3
199.03835	0.4
203.07042	2.6
214.06154	0.3
216.04144	1.2
217.05011	0.4
231.06509	14.6
241.04935	0.5
244.03615	1.0
245.04503	0.6
259.06018	24.1
260.06369	0.8
271.05957	0.6
272.03085	0.9
285.07706	0.5
286.04657	0.4
287.05487	22.7
288.05780	1.0
300.02710	0.8
301.07028	1.8
302.07825	0.9
313.07181	0.5
314.04135	1.0
315.04962	48.0
316.05231	1.6
329.06555	4.4
330.07318	51.2
331.07639	1.4
345.09668	100.0
346.10010	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0967
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.94455	0.4
55.01822	0.5
55.05437	1.3
57.03379	0.6
57.78117	0.4
67.05427	1.3
69.06992	1.7
69.55811	3.2
79.05448	0.6
81.03349	0.7
81.07031	2.1
83.08530	1.6
91.05398	1.1
93.03299	0.9
93.06960	1.1
95.04940	0.4
95.08595	2.2
97.02823	0.4
97.06461	0.6
97.10111	0.8
105.06951	0.5
107.04904	0.4
107.08506	1.0
109.02827	0.7
109.10062	1.4
110.03568	0.8
119.08531	1.0
121.02866	3.3
121.10077	1.0
123.04353	0.9
133.02798	0.4
133.10022	0.4
135.11618	0.9
137.02336	20.3
137.03403	0.9
137.05904	0.8
139.03780	0.5
141.06932	0.5
147.11653	0.5
149.02313	2.4
150.03053	0.8
151.03749	0.5
155.04793	0.4
157.06453	0.8
165.01830	14.3
165.05434	0.6
167.03371	0.7
168.04161	0.6
177.01743	1.2
181.01234	0.6
181.04846	0.8
183.02852	0.6
185.05879	1.5
189.05217	0.4
197.05933	0.8
201.05560	0.5
203.07030	0.5
204.06601	0.5
213.05443	4.5
215.03424	0.7
217.04926	0.6
223.03799	1.2
229.04932	0.6
231.06477	1.4
239.03229	0.5
241.04955	5.3
242.05505	0.5
244.03726	0.6
257.04303	1.1
258.05106	0.7
259.05966	3.1
267.02841	0.7
269.04358	2.8
271.06049	0.7
272.03159	0.8
285.03940	1.7
285.18872	0.4
286.04697	2.1
287.02191	1.0
287.05466	16.9
297.03882	1.7
301.03677	0.5
301.07019	1.8
302.07864	0.9
313.03369	1.2
313.06900	0.7
313.10782	0.9
314.04138	2.7
315.04956	19.8
316.05460	0.7
327.04855	0.8
327.25272	1.5
329.06522	8.3
330.07306	54.1
331.07596	1.3
345.09668	100.0
346.10080	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	345.0604
Annotation	Herbacetin 8-acetate
Peak:m/z	Relative Intensity
53.03932	0.5
55.01856	0.2
55.05507	2.4
57.03423	0.8
57.07069	0.3
67.01859	0.5
67.05504	2.1
68.99783	1.0
69.06712	0.3
69.07063	3.3
70.78157	0.7
71.04970	0.3
72.08144	0.4
79.05493	1.1
81.07059	3.9
83.04993	0.3
83.08614	1.5
85.06517	0.4
91.01840	0.4
91.05476	0.8
93.07038	1.5
95.01337	0.3
95.04958	0.4
95.08603	3.2
97.06520	0.5
97.10156	1.0
98.21059	0.3
103.05460	0.2
105.06999	0.8
106.64885	0.2
107.08582	1.2
107.54868	0.2
109.02873	0.2
109.06499	0.3
109.10149	1.4
111.08051	0.6
111.11724	0.5
115.05436	0.3
119.01398	0.2
119.08574	0.5
121.02872	0.5
121.10127	0.9
123.04434	1.4
123.08047	0.3
123.11678	0.7
131.04907	0.5
133.02861	0.3
133.10121	0.5
135.11702	0.8
137.02307	0.3
137.05945	0.6
137.13229	0.8
139.11147	0.2
143.05016	0.2
145.06482	0.5
147.04405	0.9
147.11610	0.3
149.02303	0.6
149.13301	0.4
151.03888	0.8
153.01828	3.2
153.12746	0.2
155.04889	1.1
157.59326	0.2
159.04408	0.4
161.02364	2.3
161.05984	0.3
161.13202	0.4
163.03935	0.3
163.14775	0.2
165.05457	0.6
173.05966	0.7
175.03830	0.3
177.01849	0.3
181.01245	0.3
183.04404	0.7
187.03888	0.8
189.05478	0.3
193.08624	0.8
197.45041	0.2
201.05473	1.0
203.03378	0.8
205.01321	1.3
211.03899	1.7
213.05438	0.3
215.03421	1.0
217.19597	0.4
223.02362	3.1
229.01448	0.4
229.04941	4.1
235.20718	0.2
239.03374	4.6
243.02754	0.3
245.04602	0.3
257.04419	2.0
267.02881	0.8
271.02386	0.9
284.03131	1.5
285.03918	5.3
295.02386	0.7
299.01929	0.4
299.09158	0.2
312.02747	0.7
313.03400	100.0
314.03720	2.0
327.05099	1.2
327.25259	1.1
344.32605	0.3
345.06085	2.5
345.09753	0.5
345.13263	0.8
345.26355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0603
Annotation	3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.01814	0.2
55.05487	0.2
62.56044	0.3
67.01817	0.4
67.05487	0.3
69.94862	0.5
69.95277	0.8
70.06531	0.2
72.08111	0.3
72.16052	0.2
74.43687	0.2
79.65607	0.3
81.03363	0.3
81.07033	0.4
91.05450	0.2
93.06992	0.3
95.04904	0.7
95.08571	0.3
98.16190	0.2
105.03339	0.6
105.06973	0.5
107.08513	0.3
111.04391	0.7
119.08529	0.2
121.02808	0.6
123.04376	0.5
125.02303	0.5
131.04861	0.5
133.02850	0.3
134.03534	0.8
137.02277	0.9
137.05904	0.7
141.05447	0.3
147.04305	0.3
147.07915	0.2
149.02365	0.7
151.03859	0.7
153.06978	0.2
161.01164	0.3
161.02318	1.8
167.03401	10.8
177.01778	0.6
179.03377	2.9
183.04393	0.4
187.07579	0.4
191.03320	0.7
198.49699	0.2
200.04642	1.1
203.03311	0.3
205.01289	0.5
211.03778	0.3
215.06987	0.8
219.02776	0.3
222.01620	0.3
223.02339	0.7
225.05438	0.6
227.06975	0.4
228.04138	3.9
229.01279	0.3
238.02600	1.3
239.03343	0.4
242.02158	0.4
243.06566	3.1
247.02315	0.4
253.04938	3.9
256.03656	2.2
266.02069	2.2
271.06012	2.5
274.04599	0.6
281.04352	0.4
283.02478	1.2
284.03152	15.2
298.04700	0.3
299.05496	13.8
309.03845	0.6
312.02655	2.5
313.10870	0.4
317.06561	3.2
327.04984	100.0
328.05310	2.1
345.06046	16.8
345.13251	0.8
346.06375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	31.7
57.07072	29.5
60.04520	60.1
67.05487	23.8
69.07066	24.0
70.06603	29.8
71.08643	32.8
71.59113	24.1
72.43428	13.7
74.06085	26.3
79.05498	19.7
81.07063	44.0
88.03993	26.8
88.07641	100.0
88.33700	15.9
91.05460	14.9
91.64673	17.5
93.07061	33.9
95.08597	40.0
100.11260	41.9
106.05029	67.7
107.08585	16.6
109.10194	15.2
119.08605	16.8
155.10141	15.3
157.10027	14.9
196.41179	17.2
196.67625	16.2
241.87892	16.8
344.31512	45.9
344.35226	98.2
345.20236	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	23.4
57.02456	8.9
57.07058	14.5
60.04519	9.1
67.05492	29.5
69.07055	13.0
69.37273	98.1
70.06569	12.7
71.08619	10.4
74.06055	11.6
81.07062	26.2
83.08660	10.3
86.66751	9.3
88.07632	46.2
93.07038	13.8
95.08598	23.1
97.35060	9.1
100.11217	19.2
105.07013	17.6
106.05021	19.6
135.11748	14.4
162.13286	10.3
175.14986	10.1
314.43509	9.4
344.31564	66.5
344.35367	37.4
345.09927	9.4
345.20352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29248	1.0
69.88025	7.6
94.93023	7.7
98.21526	1.9
114.89326	1.3
136.94061	2.1
146.85399	1.3
147.35374	1.2
160.95306	1.1
202.89124	11.5
212.70108	1.2
284.83643	7.1
326.98825	6.1
344.99860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	11.9
55.05512	74.3
57.03423	17.7
67.05502	79.0
69.03416	17.6
69.07059	31.4
71.04997	17.9
71.58736	9.3
72.08120	11.5
74.06101	10.5
79.01590	8.6
79.05507	63.8
81.03407	17.5
81.07063	100.0
83.04972	23.6
83.08623	54.7
85.02898	11.1
87.04484	11.9
91.05506	54.3
93.07043	89.7
95.04963	43.2
95.08619	58.2
97.06518	18.5
105.07036	42.6
107.04964	19.8
107.08616	45.8
109.06539	17.4
109.10151	17.4
111.08080	24.8
115.05573	10.3
117.07011	21.7
119.08572	33.4
121.10186	48.6
123.08037	16.3
125.09596	11.7
131.08569	19.0
133.06419	10.0
133.10120	29.2
135.11720	17.0
137.09628	18.6
139.11180	12.0
145.10088	20.7
149.09558	19.4
153.71533	11.7
173.13371	11.2
179.10600	14.9
225.48788	10.0
253.87149	11.9
258.22144	22.2
277.86395	9.9
291.19736	11.1
344.04990	10.1
344.25696	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07243	8.1
55.05497	11.6
57.03430	11.9
59.51665	7.3
67.05495	28.3
67.93974	7.1
69.03468	9.1
69.07058	32.4
70.17570	22.4
70.17955	15.1
71.04976	9.1
71.69188	6.3
72.08119	13.4
79.05476	29.8
81.03394	23.7
81.07046	33.1
83.08611	9.0
84.08132	8.1
89.90953	6.8
91.05469	16.7
93.07030	23.2
95.04924	14.5
95.08604	14.0
97.06529	100.0
99.08132	10.9
105.07037	10.8
107.08607	14.6
114.71827	7.2
115.07557	21.2
119.08517	15.9
121.10088	8.6
125.12495	9.9
149.13264	10.1
159.11687	8.6
344.25793	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41745	7.9
55.05499	9.0
67.05498	25.6
69.07062	24.5
69.24732	100.0
71.04990	17.4
72.08203	7.0
79.05491	25.5
81.03410	16.7
81.07041	19.8
83.04992	10.7
91.05471	23.4
93.07063	11.3
95.04958	23.9
95.08604	22.5
97.06538	21.8
98.20807	19.1
105.07040	16.7
107.08603	18.9
109.06500	15.6
113.67009	8.1
115.07576	12.2
117.07056	8.9
119.08571	13.1
131.08527	12.9
136.33818	8.0
141.73247	7.4
150.16660	7.5
158.15356	8.5
172.56761	8.3
344.08606	27.5
345.20364	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	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
57.03421	1.1
61.02914	1.3
62.16182	0.5
65.03937	0.8
69.03417	2.9
70.06582	0.6
71.03903	1.0
71.05008	0.6
71.48966	0.4
74.59679	0.4
81.03402	1.1
85.02900	16.3
90.36643	0.5
91.03923	0.7
91.05476	6.5
95.04941	0.5
97.02880	3.5
99.04411	0.6
109.02869	1.7
119.04936	18.7
122.91624	0.5
123.04419	2.6
127.03880	2.5
145.04988	3.7
147.04399	100.0
148.04773	0.8
165.05466	43.8
166.05757	0.8
180.08620	1.1
182.08073	0.7
214.24249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.4
55.05468	1.2
60.42335	0.5
65.20715	0.5
67.05447	1.6
68.05002	0.6
69.03397	0.5
69.07021	1.3
70.06568	0.5
70.84218	1.5
72.08105	1.0
73.88698	0.4
79.05493	5.6
80.04983	1.0
81.07042	2.5
84.04448	0.6
84.08068	0.7
86.09654	0.5
91.05476	4.3
93.07043	4.5
94.06496	0.9
95.04951	1.0
95.08546	2.2
96.08074	0.5
103.05464	11.8
105.07031	3.6
107.04967	4.8
107.08527	2.1
108.08117	15.3
109.08818	1.3
109.10094	0.6
110.09650	1.0
111.37591	0.5
117.06996	0.6
118.06467	0.6
119.08543	1.2
120.08124	3.5
121.08816	0.6
122.09663	9.7
123.10372	1.4
129.06889	0.6
130.06500	3.9
131.04922	5.7
132.08105	2.4
133.10066	0.9
135.11687	2.5
136.11217	6.0
137.05923	0.6
146.09625	0.7
148.11157	0.7
150.12776	21.5
151.13562	6.5
152.14352	4.0
166.07202	1.8
166.12247	1.0
167.05527	0.7
170.09590	0.6
180.10173	5.8
200.14326	0.9
209.14125	0.6
212.62209	0.6
226.15967	0.7
228.10167	1.9
230.11729	0.8
246.11156	1.2
246.14833	1.6
254.19020	3.4
256.13202	1.1
256.22784	0.7
270.14914	2.5
272.16583	0.6
272.20154	0.5
298.18094	0.6
300.19565	100.0
301.19901	4.2
302.21204	3.5
313.10687	0.8
344.22208	48.3
345.06076	0.8
345.09790	0.9
345.13489	1.0
345.22528	1.9
352.15067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.9
57.07072	10.3
58.06612	1.7
59.60953	0.3
67.05515	1.7
69.07057	0.7
69.27936	4.0
71.08630	5.5
74.25349	0.4
79.05482	0.6
81.07041	1.9
83.08633	2.1
85.10176	3.2
91.05438	0.6
93.07031	0.7
95.08049	0.5
95.08602	5.4
97.10123	0.9
105.07025	0.5
106.40299	0.3
109.10142	4.3
113.85322	0.4
119.08548	0.3
123.11641	0.4
145.10081	0.4
159.11624	0.4
183.17462	3.6
189.01653	0.5
189.05405	0.4
199.07527	0.4
202.02603	1.6
217.04967	5.3
218.05336	0.4
227.06898	0.6
229.04846	0.4
240.23207	100.0
241.23537	3.5
247.90343	0.4
257.04404	0.5
271.06042	0.7
272.06659	0.6
299.05582	0.4
300.06284	1.5
315.08582	0.6
328.05667	2.0
343.08115	13.7
344.08365	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.7
53.03933	6.6
55.01862	8.4
55.05511	26.3
55.65750	2.1
57.03426	9.4
57.07061	8.5
59.04992	8.8
65.03947	3.6
67.05502	34.3
69.03417	13.0
69.07062	14.4
71.04993	25.0
71.58846	2.1
79.05492	38.0
81.03419	3.6
81.07060	37.2
83.04970	6.7
83.08648	5.0
85.06552	4.0
85.23392	2.6
91.05478	47.4
93.06475	5.1
93.07043	84.8
95.04970	72.6
95.08600	90.6
97.06533	17.8
103.05470	2.7
105.07025	100.0
107.04963	4.2
107.08595	65.2
108.08943	3.0
109.06492	18.0
109.10162	6.5
111.08074	3.0
115.05463	11.8
117.07015	39.5
119.08577	38.3
121.06525	14.5
121.10134	21.3
122.07352	3.1
123.04433	2.6
123.08078	30.0
125.05984	4.9
125.09616	4.9
128.06207	4.6
129.06981	8.9
130.07803	21.0
131.08572	20.0
133.06509	6.5
133.10121	20.1
135.04353	2.8
135.08047	29.9
135.11659	15.3
137.09593	6.3
138.60919	2.7
143.08588	16.8
145.06404	2.9
145.10115	98.2
146.10497	2.7
147.08064	24.3
147.11630	6.4
149.09593	7.7
151.07516	39.7
151.08617	3.2
153.09085	3.9
155.08511	4.6
156.09288	3.8
157.10162	8.5
158.10954	2.8
159.08073	6.1
159.11713	14.3
161.09607	8.6
161.13228	7.1
163.07538	3.3
163.11176	76.7
165.09103	21.1
169.09952	2.8
171.11664	7.0
173.09648	8.0
173.13277	5.0
175.11214	3.2
177.09169	7.0
177.76170	2.5
179.07072	6.3
179.08507	3.6
183.11638	4.2
185.09729	4.2
185.13272	7.0
187.11269	3.5
189.12759	11.3
191.14354	4.4
195.11650	2.7
199.11211	3.3
199.14835	3.0
203.14337	11.3
207.13803	7.1
209.13376	4.1
209.15331	3.9
211.91824	2.9
213.12753	2.9
221.15381	28.8
222.15872	2.8
225.12836	2.6
263.16492	9.1
269.15329	3.6
286.19321	7.0
325.21552	7.2
343.12091	4.0
343.22540	77.5
343.26401	17.6
344.22864	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03928	5.3
55.01856	6.6
55.05508	13.9
57.03421	8.4
57.03682	1.8
57.07068	8.8
59.04988	4.3
62.28000	1.9
67.05502	28.8
69.03422	10.1
69.07047	6.4
71.04987	22.7
79.05487	35.6
81.03403	2.1
81.07050	35.4
83.04955	6.1
83.08630	1.9
85.06513	4.6
91.05473	41.1
93.07034	74.5
95.04369	3.7
95.04965	68.0
95.08600	91.5
97.05982	2.0
97.06522	16.4
98.21539	3.6
101.21007	2.0
103.05450	4.7
105.07024	100.0
106.07352	2.5
107.04938	6.1
107.07877	4.5
107.08588	63.0
109.06509	18.9
109.10149	6.6
111.08065	2.7
115.05450	9.0
117.06214	3.5
117.07010	43.5
119.07805	2.4
119.08577	30.2
119.29771	1.7
121.06502	20.7
121.10153	20.0
123.08051	28.1
125.05933	3.3
128.06232	4.4
129.06970	6.1
130.07788	18.2
131.08562	13.5
133.06485	7.0
133.10123	17.1
135.08046	28.4
135.11708	15.1
137.09579	6.7
143.08559	13.3
144.09364	2.9
145.10115	89.6
146.10490	3.8
146.65526	2.0
147.08078	15.3
147.11647	3.3
149.09642	5.2
151.07535	52.1
153.09178	3.1
155.08533	2.8
157.10123	9.4
159.08025	7.2
159.11697	12.1
159.62691	1.7
161.09602	11.1
161.13206	4.4
162.04692	1.7
163.11171	60.8
164.11574	2.6
165.09106	19.0
167.08580	2.6
169.10185	2.9
171.11679	7.3
173.09628	5.0
173.13284	3.1
175.11127	5.3
177.09093	6.4
179.07001	3.9
181.10098	1.9
181.12184	2.2
183.11742	2.9
187.11227	4.2
189.09100	2.9
189.12753	10.4
191.10703	3.0
191.14368	2.8
193.10124	2.7
195.11621	1.9
196.12505	2.5
197.09521	2.1
197.13293	2.7
201.12593	2.8
203.14275	7.8
207.10078	3.9
207.13788	7.2
209.13284	3.3
209.15182	3.8
215.14296	3.6
217.12193	2.2
221.13335	3.9
221.15344	29.8
225.12732	3.9
229.31076	2.3
230.13165	2.5
233.15331	3.9
241.15883	3.5
245.15236	1.8
263.16360	7.4
269.15265	3.6
274.19296	2.0
285.18817	2.0
286.19168	5.0
287.16452	1.8
287.20163	2.7
300.31265	1.8
325.21667	10.6
343.22650	66.4
344.22946	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	343.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
55.01867	6.5
55.05508	22.7
57.03429	9.0
57.07069	7.8
59.04990	9.1
67.05504	41.7
69.03415	12.0
69.07050	4.0
70.98277	3.6
70.98619	10.2
71.04983	26.7
79.05491	35.6
81.03419	5.0
81.07044	41.2
83.04971	4.6
91.05478	46.3
93.07037	92.1
95.02863	3.5
95.04965	63.8
95.08601	98.8
97.06491	18.6
105.07027	100.0
106.07373	4.6
107.04931	5.9
107.08587	63.8
109.06486	24.6
109.10176	6.5
115.05450	7.7
116.25240	3.9
117.07027	40.7
119.08575	36.3
121.06488	22.5
121.10130	21.6
123.08052	35.7
128.06221	4.1
129.06989	8.1
130.07755	26.3
131.08530	8.1
133.06522	7.3
133.10159	21.0
135.08054	32.3
135.11703	15.5
137.09610	5.4
143.08546	15.7
145.10123	98.8
147.08026	18.4
147.11714	5.0
147.74335	4.2
149.09612	8.7
151.07550	64.2
156.09381	5.5
157.10146	12.5
159.11679	8.8
161.09616	9.8
161.13214	5.6
163.11185	74.1
165.09149	19.8
169.10199	5.3
171.11729	3.6
173.09642	6.7
175.11186	10.6
177.09149	7.7
179.06956	4.9
181.12149	3.6
189.12746	14.2
203.14236	8.4
207.13850	7.0
215.14447	5.0
221.15306	34.0
233.15321	6.2
243.13612	5.4
263.16272	7.0
269.15250	7.1
285.18402	3.8
286.19226	8.0
325.21622	9.6
343.22647	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.17161	1.5
53.03934	5.0
55.01859	4.8
55.05508	20.7
57.03438	9.2
57.07072	10.2
59.04993	8.7
65.03928	3.1
67.05505	33.9
69.03432	12.0
69.07056	5.2
69.76746	2.5
69.77155	7.8
71.04989	22.3
79.05497	32.3
79.84825	1.4
81.03415	3.3
81.07057	33.9
83.04964	6.1
83.08609	2.6
85.02885	1.7
85.06538	6.0
91.05479	46.0
93.07041	79.0
95.04361	3.6
95.04965	65.3
95.08602	90.1
97.06522	17.8
98.21430	2.2
103.05438	4.2
105.04514	2.1
105.07027	95.2
106.07360	3.5
107.04937	4.7
107.08593	60.2
108.05749	2.0
109.06515	22.5
109.10154	6.5
109.86460	1.5
111.08064	3.3
115.05427	8.7
116.06210	2.5
117.07011	41.5
117.07848	2.4
119.08575	36.8
121.06504	17.8
121.10134	21.8
122.07298	3.0
123.08058	31.1
125.05963	3.6
128.06209	5.9
129.06993	6.7
130.07788	21.7
131.08559	12.2
133.06445	7.8
133.10118	19.0
134.07275	2.0
135.08055	28.4
135.11674	18.2
137.05957	3.9
137.09605	6.5
141.06996	1.7
141.71312	1.4
142.07777	4.0
143.08575	14.3
145.06467	3.6
145.10117	100.0
146.10532	2.4
147.08038	15.4
147.11670	5.9
148.08839	2.7
149.09631	6.6
151.07535	55.5
153.09103	3.1
155.08505	3.2
156.09348	4.5
157.10126	13.0
159.08049	4.7
159.11676	10.9
161.09651	9.0
161.13293	4.2
162.82957	1.5
163.07492	2.0
163.11171	72.6
165.09131	21.8
167.08571	3.4
169.10133	5.6
170.10863	2.5
171.11710	10.1
173.09587	4.8
173.13210	5.9
175.11177	4.3
177.09048	7.5
179.07063	4.5
181.10106	3.3
181.12259	2.2
183.11673	4.1
185.09557	2.3
185.13232	4.4
187.11157	6.6
187.14832	3.0
189.09119	2.5
189.12679	12.3
191.10516	1.9
191.14308	4.3
197.13275	4.8
199.11206	2.7
199.14671	2.4
201.12686	2.2
203.14301	12.2
207.10098	3.4
207.11884	3.5
207.13808	6.3
209.13396	2.1
209.15353	5.6
213.12849	2.4
215.14293	4.1
217.12320	3.3
221.15369	29.4
225.12682	2.3
225.16283	1.9
227.14401	2.2
229.15843	3.1
232.75395	1.6
233.15288	3.2
239.18146	1.6
241.15800	3.2
243.13942	1.8
245.15399	2.1
263.16458	7.0
269.15335	6.3
274.19315	2.8
286.19199	6.0
287.16449	1.7
287.20023	2.8
325.21545	12.4
343.22641	81.3
344.22885	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	343.1903
Annotation	Trigonochinene D
Peak:m/z	Relative Intensity
55.05518	5.9
59.95606	3.0
65.03947	2.7
67.05497	6.6
69.07069	5.9
71.04255	4.3
71.04583	3.4
75.04488	3.1
79.05491	13.8
81.07054	17.1
83.08614	3.7
91.05458	20.7
93.07050	36.4
93.33818	2.7
95.04961	3.7
95.08614	19.5
103.05486	7.8
105.07017	23.7
107.04958	4.8
107.08590	44.9
109.06473	3.4
109.10139	8.6
111.08057	2.9
115.05431	4.6
116.06237	3.4
117.07019	8.9
119.04944	8.4
119.08594	15.3
121.06514	7.6
121.10141	97.5
123.08049	8.6
128.06218	4.7
129.06985	5.9
131.04968	2.9
131.08568	12.0
133.06499	9.7
133.10168	4.7
135.04401	28.6
135.08023	9.3
135.11679	28.7
140.37436	2.4
140.76457	2.4
143.08575	8.9
145.06468	3.3
145.10104	23.1
147.04390	10.5
147.08040	7.3
147.11668	4.0
149.05988	37.7
149.09615	10.3
155.08560	6.2
156.09367	2.8
157.10133	7.4
159.04466	5.5
159.08073	7.7
159.11763	3.5
161.05986	46.6
161.09558	2.9
163.07542	30.1
163.11179	12.2
167.08583	3.1
167.10719	6.4
169.10112	4.7
171.08020	4.1
171.11646	5.7
173.06015	5.8
173.09605	15.4
175.03918	51.5
175.07535	33.9
181.12250	5.7
185.09676	4.2
187.07581	11.8
189.05453	3.5
189.09120	11.5
191.07005	12.6
195.11827	2.6
195.13795	16.4
197.09595	3.5
199.07530	13.7
199.11171	3.6
201.09081	56.2
202.09349	3.2
203.10612	3.3
209.09651	2.8
211.07594	4.4
213.09143	28.3
213.12866	2.7
215.07144	4.7
215.10684	8.8
225.09132	12.2
227.10703	16.3
241.12163	6.5
243.33130	2.6
267.13788	21.3
269.15326	48.5
270.57172	3.1
283.16928	46.9
293.15225	18.4
299.20203	3.1
311.12778	4.9
311.16400	100.0
313.07098	4.7
328.09473	10.1
329.17264	3.9
343.11978	20.5
343.19022	81.9
343.22586	3.7
344.19647	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	343.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07969	1.0
53.03942	1.6
55.01860	2.2
55.05499	2.1
55.76984	1.1
57.03447	5.6
57.07068	2.2
61.02917	4.6
69.03082	1.3
69.03429	16.4
69.07072	1.9
70.06577	2.2
71.04233	2.0
71.04964	3.2
72.08148	2.4
73.02910	2.8
78.48833	1.0
79.05484	4.4
81.03416	7.5
81.07064	9.9
83.04990	6.8
85.02901	40.0
86.09727	1.3
87.04440	1.6
91.03947	2.4
91.05475	3.2
93.07047	12.0
95.04960	16.1
95.08598	2.3
97.02888	10.7
97.06525	4.4
99.04439	2.6
103.04002	1.1
105.07024	8.4
105.37931	1.1
107.04961	1.9
107.08588	12.5
109.02873	3.7
109.06512	2.7
116.01671	1.6
117.06995	3.5
119.08570	4.7
121.06510	4.0
121.10139	12.4
123.08102	2.3
125.05995	11.4
127.03895	10.1
129.07007	1.6
130.07765	3.5
133.10117	1.5
135.07980	1.8
135.11725	7.5
137.05974	3.1
139.83354	1.2
143.08553	1.6
145.04961	7.8
145.10106	18.5
147.08104	2.5
151.04074	1.4
151.07545	1.6
160.76343	1.2
163.05925	1.3
163.11179	100.0
164.11568	1.5
175.11171	1.9
181.12241	20.8
193.12195	2.1
205.12242	2.1
245.48746	1.1
262.21274	1.2
325.16559	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01844	3.2
55.05503	5.9
56.05026	4.0
56.25819	1.8
56.96565	1.9
57.29290	1.7
59.04854	4.1
60.05650	30.2
65.03941	4.1
67.05503	3.9
69.03423	7.0
70.06593	40.9
70.30737	6.8
71.05026	1.9
72.05646	2.6
72.08153	54.4
73.06421	15.4
74.02423	3.7
79.05507	3.5
81.03400	3.6
81.07066	3.3
82.30017	2.2
83.04995	2.5
83.06098	2.9
84.04480	4.6
84.08128	8.6
85.02892	12.3
86.02454	4.6
86.07189	12.8
86.09692	8.9
87.07977	17.5
91.05462	12.5
93.03384	2.1
93.07035	5.4
95.04944	5.9
96.08112	2.5
97.02886	6.1
97.07630	8.4
98.06030	13.4
99.04399	2.1
99.09248	2.1
100.07643	2.5
100.08740	19.3
105.07030	2.6
107.04945	3.1
107.08582	4.7
109.06512	16.4
110.07170	4.2
111.04440	6.1
111.84212	1.8
112.08726	4.9
114.10278	31.1
115.08699	5.8
116.07106	4.3
116.08163	2.8
119.04949	11.6
119.06917	6.2
119.08559	4.9
121.02859	8.9
121.06502	2.9
123.04423	7.7
127.08656	4.2
128.07088	20.7
128.08035	3.3
129.10222	3.7
130.09695	3.0
131.12923	100.0
133.02855	2.7
137.02307	5.7
138.05481	1.9
139.03894	6.2
141.10281	2.9
141.11336	1.8
145.10010	2.0
147.03232	2.9
147.04408	53.5
149.02313	6.1
151.03880	4.8
157.10854	11.0
163.03905	5.3
165.05486	16.0
167.03342	2.5
172.13216	3.0
178.04990	2.5
179.03412	3.2
180.06607	3.0
181.04942	2.5
181.08484	2.5
187.11914	41.6
190.10661	2.9
192.10165	3.0
195.02811	3.3
200.13885	4.3
200.41223	2.1
204.10248	2.2
204.12250	2.6
220.09636	2.8
222.11179	2.1
234.20573	2.0
248.09253	6.2
251.14973	2.4
255.14711	2.2
266.10345	3.1
267.14462	2.5
269.16095	3.7
281.16101	4.2
292.15253	2.4
293.16043	4.8
297.15619	10.9
299.16843	2.5
307.13843	2.6
309.15457	2.7
310.16223	6.0
325.15027	8.4
327.92603	2.0
343.16122	38.1
344.16663	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1177
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
55.25501	0.4
64.94308	0.5
68.36666	0.5
68.45848	0.5
70.71410	0.5
71.18920	1.2
72.13553	0.5
81.03450	0.4
121.02887	3.2
121.06497	0.7
123.04427	1.1
125.05972	0.8
135.04419	20.2
137.02322	2.5
138.55939	0.4
148.05109	0.6
149.02354	1.7
151.03896	0.7
165.01833	16.0
168.05608	0.5
177.01802	1.2
183.08022	0.8
201.09311	0.6
201.84460	0.7
211.07506	1.8
213.05411	0.6
214.06259	1.3
225.05392	0.9
227.07019	1.6
229.08601	1.8
239.07028	2.6
240.07706	0.6
242.05753	2.0
253.05026	0.6
255.06540	1.7
256.07333	0.6
257.08072	6.7
258.15259	0.6
267.06479	2.0
270.05191	2.9
283.06018	1.8
284.06821	1.6
285.07581	17.3
286.08032	0.7
295.05902	1.4
297.03986	0.9
298.04767	1.1
299.05789	0.5
299.09109	1.7
300.09891	0.7
311.05673	1.3
312.06308	2.7
313.07059	24.6
314.07648	1.0
327.08615	7.7
328.09406	63.8
329.09735	2.0
343.11752	100.0
344.12085	3.1
344.54245	0.5
355.84967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28634	0.8
55.05492	0.9
57.03428	1.0
63.02390	0.7
67.05486	1.5
69.03416	0.8
70.06578	2.3
72.08148	4.0
75.55595	0.6
79.05492	3.0
79.36911	0.7
81.03408	1.9
81.07047	2.7
85.02905	1.1
86.09690	2.8
88.11514	0.7
91.05468	10.0
93.07030	2.7
94.04172	4.2
95.04964	2.8
95.08595	1.6
103.05455	7.7
104.06243	2.0
105.07014	2.2
107.04948	2.2
107.08649	1.3
108.59472	0.8
109.06538	0.9
113.03504	1.3
114.32122	0.8
115.05445	6.1
117.07014	4.5
119.08567	9.2
120.08901	0.9
121.06488	0.8
121.10170	1.6
122.03650	11.1
128.06233	2.4
129.07019	5.4
131.04915	12.5
131.08612	1.1
132.05713	6.1
133.06473	1.0
135.04387	1.0
136.05130	0.7
137.05972	100.0
138.06293	2.7
140.04680	0.7
141.07010	3.9
143.04948	1.6
145.06448	3.5
145.10164	0.8
147.04420	0.9
147.08049	9.7
149.05980	1.0
151.07552	2.0
153.01906	0.8
157.06480	2.5
159.08038	1.7
160.05191	5.7
161.05965	4.3
163.07527	13.8
163.11205	1.4
169.06456	3.5
173.09560	0.9
175.07538	60.0
176.07954	1.9
177.05402	0.9
181.04982	5.0
183.07944	0.9
186.06717	2.8
187.07536	6.4
188.08272	3.3
189.09114	1.6
201.09070	3.8
205.10149	1.4
215.08655	0.9
218.07294	1.2
233.09625	2.5
261.09140	2.0
265.08762	0.7
265.12164	1.7
278.09265	0.9
293.11639	2.7
295.09686	0.8
297.03992	1.1
325.14182	12.2
328.05441	0.8
343.04083	1.1
343.08154	1.2
343.11798	1.5
343.17203	9.2
349.08493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.7
55.01875	9.3
55.05507	48.4
67.05505	30.0
69.07064	100.0
70.00665	34.5
79.05492	45.3
81.07060	41.4
81.07451	7.2
83.04956	7.8
83.08616	25.7
91.05473	37.2
93.07047	32.2
95.08595	19.8
97.06507	15.0
97.10175	59.5
105.07028	18.3
107.08583	48.7
109.06516	8.0
109.10135	10.4
117.07014	8.5
119.08543	17.5
121.10139	12.6
125.09624	67.9
131.08562	13.3
133.10130	16.7
135.08058	12.6
135.11652	10.2
137.09375	5.4
140.59386	6.0
145.10141	13.8
147.11725	10.0
149.09634	9.7
153.09103	11.8
155.53479	5.8
161.13293	9.1
163.11240	7.3
192.65088	6.8
203.12773	60.1
215.17958	6.9
226.18022	11.8
257.19037	14.9
275.20105	37.3
289.21579	14.1
307.22559	8.7
324.56174	6.1
335.33511	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	343.0811
Annotation	4,2'-Epoxy-4'-hydroxy-5,7,5'-trimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
51.68349	0.2
55.01866	0.3
55.05517	0.3
67.05491	0.2
69.07051	0.3
77.03957	0.2
79.05493	0.3
81.03399	0.5
81.07039	0.6
89.28121	0.3
91.05471	0.2
92.02614	0.3
93.07025	0.3
95.04973	0.5
95.08590	0.2
97.02882	0.3
98.21535	0.5
99.04498	0.4
102.05088	0.2
108.02117	0.4
109.10146	0.3
113.87615	0.2
121.10152	0.3
123.04388	0.4
128.06236	0.3
133.02846	0.4
134.03648	1.0
135.04402	0.8
136.06134	0.2
137.02391	0.4
137.05963	0.5
139.03810	0.3
141.06964	0.4
147.04323	0.4
147.11594	0.3
149.02321	0.3
150.03098	0.3
151.03885	0.8
152.06210	1.1
153.07011	0.6
155.04956	0.6
156.05664	0.4
161.02313	0.8
162.03096	2.0
163.03908	0.7
164.04639	0.4
165.01842	1.7
167.04895	0.4
168.05675	0.3
169.06519	1.4
170.07233	0.4
171.08031	0.3
173.05978	0.3
179.03464	1.1
180.05705	0.7
181.04916	0.8
181.06490	1.9
183.03001	0.3
183.04427	1.3
184.05191	1.0
185.05960	0.4
189.01820	0.3
195.04410	0.4
196.05234	0.3
197.05988	4.9
197.13203	0.2
198.06818	1.1
199.07556	1.1
200.04622	0.3
201.05461	1.1
204.87579	0.2
205.06668	0.2
207.04413	0.6
208.03636	1.7
208.05305	0.4
209.05934	0.9
210.06673	0.2
211.03844	0.7
211.07539	0.3
212.04684	2.6
213.05464	3.0
213.09021	0.2
214.05975	0.3
215.07082	0.5
222.02997	0.2
223.03943	0.3
225.05455	3.6
225.09171	0.4
226.06264	2.7
227.06995	3.3
228.04080	0.3
228.07664	0.3
229.04906	1.7
230.10728	0.3
236.04630	0.5
237.05486	2.3
239.03426	0.3
239.06987	0.4
240.04152	3.3
241.04877	1.2
241.08617	0.7
242.05695	0.4
243.06541	2.3
244.03635	0.6
244.07329	0.4
253.04948	2.9
254.05815	1.5
255.06519	3.4
256.07330	1.1
257.04492	1.7
258.05063	0.2
259.09595	0.5
259.25406	0.2
265.04922	0.9
266.05804	0.4
268.03665	1.0
269.04446	0.7
269.08051	1.2
270.05176	0.7
270.08292	0.4
271.06033	2.1
272.06787	2.1
273.07529	0.2
281.04388	0.7
282.05176	2.1
283.05997	3.8
284.06677	0.7
285.03918	2.9
286.04483	0.3
287.09027	1.5
293.04544	0.4
293.08044	0.2
297.07285	1.0
298.04617	0.6
299.05487	14.2
300.06216	2.4
309.03961	0.4
311.01962	0.6
311.05478	7.5
312.06100	0.7
313.03415	5.4
314.04147	3.8
315.04837	1.0
315.08636	1.7
325.03299	0.4
325.07144	0.3
327.04987	14.0
328.05743	12.8
329.05966	0.8
343.08112	100.0
344.08475	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	341.305
Annotation	Glycidyl stearate
Peak:m/z	Relative Intensity
51.79424	3.2
55.05500	10.3
57.03438	20.4
57.07072	61.6
67.05502	14.9
69.07053	14.4
70.64332	11.6
71.08628	40.9
81.07076	18.1
83.08612	10.8
85.10170	20.6
91.05785	4.3
93.07074	3.5
95.08611	23.9
97.10166	8.9
103.07598	5.4
106.76944	3.4
109.10163	11.8
123.11715	5.9
139.84734	3.4
158.55746	3.5
212.43680	3.4
249.47003	3.5
283.26303	3.7
285.27924	5.8
298.56152	4.3
341.30515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1407
Annotation	3-Trehalosamine
Peak:m/z	Relative Intensity
59.14897	0.2
66.45699	0.2
69.03411	0.3
70.06591	0.2
71.06118	0.7
71.32316	0.2
71.32647	0.2
72.92453	0.2
74.67943	0.2
81.03410	0.2
81.26437	0.2
85.02894	0.4
85.24332	0.2
90.90852	0.2
110.02765	0.4
110.03524	5.9
128.04532	0.8
135.02968	1.1
137.02580	0.2
137.08217	2.5
153.04076	2.6
162.07739	0.9
162.09033	0.2
165.06490	0.8
180.08800	100.0
181.09164	1.1
202.68335	0.2
324.51297	0.2
358.49960	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	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.7
55.05259	5.9
55.05509	62.0
58.90092	2.9
67.05497	19.9
69.03410	4.4
69.07070	22.0
70.84388	7.2
70.84712	4.0
79.05495	41.0
81.07040	24.6
81.50371	3.7
83.04984	7.2
83.08616	37.8
91.05454	18.6
93.07025	19.9
95.04965	5.7
95.08603	8.7
97.10164	83.3
97.10779	5.2
105.07025	17.9
107.04958	3.3
107.08591	100.0
109.10146	4.6
117.07005	7.4
119.08572	10.5
121.10137	4.2
125.09622	83.0
131.08583	7.5
133.10107	15.8
135.08057	15.4
135.11668	3.8
140.62732	3.5
143.10753	3.6
145.10141	11.7
147.11685	7.4
149.09636	4.0
153.09105	11.8
157.12215	9.9
159.11792	3.6
177.12717	3.4
203.12755	83.3
203.14539	6.6
239.17818	3.5
257.19031	18.7
275.20026	35.6
289.21649	11.2
307.22668	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	341.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.7
55.05505	31.6
55.25029	3.6
57.03438	37.0
57.06796	5.4
57.07075	88.7
60.04516	4.2
67.05502	43.1
69.07069	38.0
71.04990	12.4
71.08631	71.1
71.58460	4.9
79.05484	18.7
81.06590	5.3
81.07054	100.0
82.97715	4.0
83.08621	28.6
85.06525	6.8
85.10175	34.4
91.05421	23.0
93.07044	54.7
95.04961	7.3
95.08604	84.5
97.10163	23.4
105.07028	43.3
107.08588	46.2
109.06492	14.5
109.10157	40.6
111.08061	10.2
111.11716	9.4
119.08577	56.4
121.10146	38.1
123.11720	26.2
125.09571	4.8
129.06987	5.4
131.08530	19.3
133.10155	29.5
135.11665	24.6
137.09624	10.2
137.13205	11.7
142.07741	4.8
143.08530	5.7
145.10107	29.6
147.11685	20.3
149.13266	33.4
151.11176	4.8
157.10086	12.3
159.11671	34.3
161.13257	22.2
163.14784	16.6
169.10199	4.9
171.11745	8.0
173.13264	30.6
175.14774	12.5
185.13280	4.9
187.14711	19.7
189.16440	10.5
191.17950	13.5
199.14812	6.5
201.16386	8.4
203.17960	6.3
213.16425	21.3
215.17932	8.6
227.17900	15.7
229.19527	6.7
241.19438	5.6
267.20959	6.6
281.22592	8.9
283.24179	41.5
323.27347	38.3
341.27148	24.0
341.30353	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.1
56.05025	0.6
57.03431	0.3
58.06581	0.9
67.05480	0.7
68.05010	0.3
69.07054	0.5
69.45039	2.1
70.06590	2.6
71.04981	1.1
71.08625	3.4
72.08144	0.3
73.06536	0.7
73.21289	0.2
79.05482	0.3
81.07030	0.9
82.06570	0.8
83.08590	0.3
84.08138	26.3
85.06488	0.4
91.05429	0.3
93.07063	0.6
95.04945	0.3
95.08593	0.7
96.08084	0.5
98.21050	1.0
99.08086	3.5
100.07616	6.7
102.09172	3.3
103.05457	0.9
107.04973	0.4
107.08538	0.3
110.09674	0.3
112.11228	0.6
114.09133	0.7
119.08610	0.3
121.10123	0.3
129.06989	0.4
130.12265	1.8
131.04927	1.2
137.05977	1.3
142.08615	0.6
154.15900	4.0
155.14301	5.3
163.07512	0.9
166.15926	4.8
172.13327	5.8
175.07520	0.5
178.98947	0.5
184.16959	100.0
185.17299	1.4
188.13017	0.3
196.16922	1.0
198.18524	5.7
211.01294	0.3
219.08128	0.2
222.18463	0.3
226.18028	0.8
229.22836	0.3
230.85980	0.2
240.19579	1.9
252.19510	1.7
281.11520	0.3
281.25815	0.9
297.03851	0.4
299.26913	12.7
302.04102	0.8
323.26895	1.1
341.27963	42.0
342.06079	0.9
342.28262	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1933
Annotation	Lys His Gly
Peak:m/z	Relative Intensity
55.05502	0.7
59.93811	0.5
67.05494	1.5
69.07071	0.6
71.57913	0.5
71.58332	0.6
79.05465	0.8
81.03396	0.8
81.07039	1.6
83.04969	0.7
91.05467	1.5
93.07040	1.6
95.04948	1.0
95.08595	1.1
103.05465	0.9
105.07018	1.3
107.08578	1.1
119.08587	0.8
121.06532	0.6
121.10120	0.6
122.03750	0.5
128.06201	0.6
129.07013	0.9
131.08316	0.5
133.02812	0.6
133.06456	0.6
133.10159	0.6
137.05946	4.0
161.05945	0.8
163.03932	0.5
167.07014	1.7
175.07591	1.7
187.07475	1.1
189.09074	0.7
231.08052	0.6
241.04854	0.6
249.08594	0.5
269.04391	0.6
271.09711	0.5
277.08429	1.1
281.11685	1.0
291.09976	0.6
297.04004	1.6
309.11200	1.1
323.12738	0.8
325.03564	1.2
326.03915	0.6
341.06622	6.5
341.19330	100.0
342.19690	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01876	2.0
55.05516	12.0
57.03424	2.4
57.07069	5.6
59.02451	1.2
64.82546	1.2
65.03912	1.3
67.05503	18.0
69.03430	7.2
69.07075	8.3
69.27704	9.1
69.28128	3.7
69.58115	1.1
70.23170	1.3
71.04992	2.6
71.08637	15.3
79.05491	15.5
81.03452	1.1
81.07052	19.0
83.04979	5.3
83.08630	3.0
85.06551	4.4
91.05447	13.3
93.07040	23.6
93.40862	1.1
95.04968	10.8
95.08609	16.8
96.05750	3.5
97.02887	16.5
97.06543	7.2
97.10133	1.6
99.08089	6.8
103.05512	1.5
105.06335	1.7
105.07012	10.7
107.04939	3.0
107.08592	7.2
108.84276	1.2
109.06508	8.8
109.10184	4.7
110.07342	1.3
111.04436	19.3
111.08087	3.1
113.06001	4.5
117.07033	2.2
119.08585	6.4
121.06496	11.7
121.10154	12.3
123.04467	6.6
123.08081	5.1
123.11710	1.2
124.05225	3.8
124.98802	1.3
125.05978	2.1
128.06206	2.3
129.07002	3.2
131.08566	14.5
133.06502	1.3
133.10120	3.7
135.08051	4.5
135.11685	2.1
137.06001	4.4
137.09605	1.7
139.11183	2.6
141.08952	1.3
143.08588	2.9
145.06468	1.7
145.10115	2.4
147.08047	3.3
147.11729	1.6
149.09615	14.1
151.07581	1.7
151.11212	1.6
157.10156	2.0
161.13269	1.8
163.11174	2.8
165.12743	8.9
167.10674	2.9
171.11694	2.8
177.12804	1.7
179.14366	2.5
180.11543	1.3
181.12234	100.0
182.12592	2.3
189.12807	2.7
191.14311	1.6
207.10641	1.4
207.13870	2.6
245.63235	1.2
305.21002	9.0
307.22708	3.9
312.32813	1.3
341.06470	2.2
341.20938	3.3
341.24713	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.64350	1.4
53.03939	1.6
55.01870	1.8
55.05509	1.8
56.05041	1.5
57.13780	1.2
60.05638	2.2
65.03954	2.0
65.38660	1.2
69.03435	2.4
70.06591	8.4
71.05003	2.4
71.57443	3.0
72.08156	12.3
73.04733	1.2
74.94613	1.1
79.05500	6.5
81.03407	2.4
81.07054	3.2
83.06114	8.2
84.04483	1.4
84.08141	3.5
85.02893	1.9
86.09696	3.9
90.40633	1.6
91.05402	8.1
94.04168	3.2
95.04980	3.4
97.02871	2.0
97.07664	3.0
98.06047	4.3
100.07610	2.0
100.08749	1.5
103.05445	3.9
105.07032	5.6
107.04942	6.3
109.02911	1.9
109.06507	3.2
111.04434	1.9
114.10274	7.1
115.05435	1.8
115.08682	2.9
119.04935	3.5
119.08587	3.6
119.79434	1.4
120.08078	2.6
121.06534	1.3
122.03676	7.5
123.04453	2.0
125.05986	2.1
128.06218	4.2
129.07007	15.8
129.10260	1.4
131.04921	4.8
131.12930	3.9
133.02858	4.6
133.06480	2.1
133.10150	1.8
135.04448	1.5
135.08015	1.5
136.05281	1.3
136.06197	7.2
136.42842	1.3
137.05972	100.0
138.06352	1.8
141.07045	1.5
143.08519	1.9
144.05724	4.8
145.06482	3.2
146.03578	1.5
147.04390	4.1
147.08029	2.6
149.06000	5.5
151.03917	5.4
151.07532	5.5
153.05473	2.6
155.04887	2.5
156.05711	2.5
157.06474	5.9
157.10870	3.3
158.07280	1.7
159.04408	2.1
159.08122	3.3
160.05179	2.9
161.02376	2.1
161.05981	9.3
161.09630	3.5
163.07541	3.1
165.05524	2.0
165.06920	1.5
167.07074	8.8
167.08344	1.8
171.08066	1.6
172.05151	6.6
174.06723	12.6
175.07515	10.5
177.05484	4.7
177.08986	1.4
178.07832	3.5
179.03391	1.5
179.08580	1.8
182.12930	5.4
187.07533	42.9
189.07275	1.8
189.09113	16.6
190.07863	2.8
191.07056	1.5
191.08595	5.6
193.04939	2.8
199.07588	5.0
202.07779	7.0
203.08607	15.5
205.06493	3.2
206.07253	4.5
207.07922	4.9
208.08844	3.4
210.12424	2.1
211.07518	4.2
217.08560	21.5
218.07266	2.9
219.08073	14.5
220.08875	9.1
220.11798	1.4
221.05945	1.8
221.09613	4.2
223.07603	1.7
225.09093	2.8
227.07024	5.1
231.08078	17.8
232.08716	2.6
233.05984	4.2
233.09605	1.8
234.06769	5.3
235.07486	3.2
236.08388	3.3
237.09196	3.5
239.07088	3.8
240.07776	2.2
247.07544	11.7
248.08290	17.3
249.05495	1.5
249.09055	8.9
250.06160	1.9
251.07034	4.4
251.10762	7.7
252.07214	1.5
253.08614	4.3
255.06575	5.5
256.07190	1.6
259.07596	7.8
260.08258	2.9
261.09131	3.2
262.06363	2.8
263.07928	2.0
263.10703	16.3
264.07724	3.6
265.08646	6.7
266.09445	1.9
267.10144	2.2
270.08783	9.4
271.09610	9.2
275.07144	2.0
276.05304	1.3
276.07767	7.6
277.08698	7.5
279.10196	16.6
280.10800	1.9
281.08414	3.1
281.11700	10.0
283.09851	2.4
291.10153	32.1
292.10797	3.1
293.08136	5.9
293.11511	2.1
294.08734	2.1
295.09589	1.8
296.10400	10.7
297.11133	3.5
308.10468	3.9
309.11179	14.5
311.12704	12.2
323.12820	30.9
323.16733	3.0
341.13840	24.8
341.18134	9.2
341.21848	2.8
342.06210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.0
55.76524	0.6
57.07060	1.1
58.06604	0.8
59.24582	0.6
60.63586	0.6
62.61814	0.8
65.03928	0.6
67.05505	2.3
69.07056	0.9
70.06576	2.6
71.04993	1.4
71.08639	3.7
71.39251	0.7
71.55414	0.6
71.57449	1.1
71.57835	0.9
72.08150	1.2
73.04732	1.1
79.05483	3.1
81.03411	0.9
81.07051	3.4
84.04492	1.5
84.08142	31.6
85.02869	0.7
85.06537	1.8
85.08511	0.6
86.09700	1.2
88.44309	0.7
91.05412	4.1
93.07042	4.1
95.04938	1.7
95.08584	2.6
97.02886	1.8
97.06535	1.1
99.08105	3.0
100.07615	6.0
102.09182	3.2
103.05459	4.6
105.07009	2.5
107.04961	1.7
107.08604	1.7
109.10165	1.5
110.70723	0.6
112.11258	1.0
115.05466	1.4
116.81252	0.6
117.07009	1.1
119.04890	0.7
119.08585	2.0
120.08119	0.7
121.06499	1.0
121.10113	3.1
122.03624	1.8
123.11670	0.9
128.06236	1.1
129.07005	2.6
130.12288	1.5
131.04922	7.0
133.06445	0.9
133.10104	1.2
135.08014	1.1
137.02307	0.8
137.05983	20.1
138.06268	0.7
145.06485	1.4
147.04405	2.6
147.08015	1.5
148.39879	0.7
149.05910	1.3
151.03859	1.1
151.07535	0.8
154.15891	3.5
155.14297	6.2
157.06467	1.0
159.08026	0.9
161.05984	2.6
162.06740	1.2
163.07558	6.6
164.01352	0.8
165.09171	0.7
166.15880	4.9
167.07092	1.9
172.13359	5.8
175.07552	9.7
177.05377	1.6
177.09058	1.0
179.07130	0.8
184.16966	100.0
187.07579	3.0
189.09116	1.0
191.08606	1.0
196.17036	1.1
198.18578	5.0
199.07457	1.2
202.07788	1.5
203.08502	1.2
205.06516	0.8
206.07333	0.8
207.08044	1.0
212.19952	0.7
217.08478	1.3
219.08046	2.0
220.08821	0.8
221.09625	0.6
226.17871	0.8
231.08142	2.0
234.06694	0.8
235.07480	0.7
240.19557	2.2
247.07466	1.2
248.08315	1.8
249.09094	1.0
250.19232	0.7
251.10687	1.0
252.19510	1.8
259.07623	1.0
263.10736	1.5
265.08621	1.2
277.08676	1.2
279.10223	2.2
281.11768	1.7
291.10114	2.7
297.04266	0.8
299.26978	12.0
302.04263	1.4
309.11212	2.4
311.12720	1.5
323.12827	1.6
323.26785	1.0
326.11288	0.7
341.14078	3.6
341.27966	40.6
342.06024	1.7
359.02454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
51.92307	1.6
51.94197	1.4
55.01870	2.7
56.27502	1.6
69.03384	1.6
70.06577	2.0
77.04733	1.4
79.05493	6.2
81.07053	1.6
81.85425	1.4
85.02879	2.0
86.09692	1.7
91.05466	15.2
93.07027	4.0
94.04169	2.6
97.02874	2.8
98.21564	3.0
103.05463	37.0
105.03384	3.7
105.07029	14.4
107.04982	1.8
115.05467	5.1
119.04924	11.7
119.08601	6.0
121.06533	4.0
121.10160	2.0
121.17275	1.7
122.03649	7.1
128.06218	2.4
129.06996	4.7
130.04196	3.3
131.04932	38.9
132.05698	3.7
133.02823	3.8
133.06505	8.4
137.05974	100.0
144.22247	1.5
145.06451	2.8
146.03604	3.2
147.04420	8.5
147.08047	5.9
149.05942	4.1
151.07541	6.4
155.04919	2.3
157.06516	3.2
159.08107	3.2
160.05209	3.9
161.05992	22.6
162.06721	2.1
163.07536	41.2
163.08809	3.1
165.05582	2.0
165.06967	2.1
167.07080	2.3
172.05217	5.9
174.06802	2.3
175.07549	39.5
177.09142	2.7
185.06087	1.8
187.07559	22.2
189.07210	1.7
189.09117	7.0
190.07742	4.7
191.08557	10.2
199.07553	2.7
202.07805	4.9
203.08585	9.8
208.08885	2.4
217.08540	8.6
219.08070	14.7
220.08801	5.8
221.09508	1.9
229.26714	2.0
231.08063	11.7
234.06703	3.0
235.07573	2.4
236.08356	3.0
237.09071	4.1
247.07556	7.7
248.08331	10.1
249.09082	4.3
251.10658	12.0
259.07495	8.8
260.08319	2.8
261.09018	2.2
263.07208	1.9
263.10684	10.0
264.07870	1.8
265.08557	5.5
276.07767	6.1
277.08609	4.5
279.10101	13.8
280.10718	2.8
281.08035	3.2
281.11517	2.5
291.10165	19.2
292.10922	1.7
293.08105	2.9
296.10413	2.8
308.10410	3.9
309.11182	29.3
310.11679	2.2
311.12766	20.9
323.12692	26.8
341.13797	21.5
341.50525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01874	2.1
55.05502	2.8
67.08668	1.7
69.03419	3.9
70.06586	5.2
70.94485	3.6
70.94822	2.2
71.05017	2.1
72.08156	6.4
73.52757	1.6
75.62060	1.6
76.89808	1.7
79.05488	3.6
81.03432	3.5
84.08145	4.9
85.02862	2.3
86.09700	3.6
91.05475	7.5
93.07062	3.0
94.04160	2.2
95.08632	1.9
97.07590	1.9
98.06078	3.1
103.05467	4.1
105.07021	7.3
107.04988	5.1
109.06483	2.6
110.07171	1.8
114.10332	3.4
117.06960	2.4
119.04970	5.7
119.08582	3.6
121.06561	1.8
122.03663	7.7
128.06264	5.7
129.06993	12.3
130.04028	1.9
131.04933	6.3
132.05733	3.0
133.02859	3.2
133.06505	6.1
134.06038	2.0
135.04433	1.9
137.05974	100.0
138.07788	1.8
143.08607	2.5
144.05711	6.1
146.07249	2.6
147.04427	7.0
147.08067	4.3
149.06046	4.1
151.03923	4.3
151.07542	6.2
153.05460	2.2
157.06476	7.3
157.10852	4.1
160.05231	2.7
161.05989	13.4
161.07126	2.5
163.07526	5.0
165.05554	2.7
167.07039	4.2
172.05211	5.9
174.06787	11.6
175.07521	22.8
177.05524	2.4
177.09006	2.1
178.07608	2.0
179.07074	3.5
187.07552	38.9
189.09096	11.0
190.07745	3.1
190.42601	2.0
191.08583	5.0
196.05208	2.1
199.07573	4.4
202.07751	4.8
203.08540	14.1
205.06415	2.9
207.07703	14.1
208.08736	3.0
211.07657	3.7
217.08626	22.1
218.07263	2.3
219.07993	10.9
220.08846	5.0
221.05846	2.2
221.09657	2.2
227.07143	2.6
231.08057	16.7
232.08853	2.2
233.09433	2.4
234.06828	3.2
235.07600	3.1
236.08371	3.5
237.09145	2.9
239.06963	2.1
240.07819	2.9
247.07460	10.1
248.08333	14.8
249.09171	3.0
250.09819	2.1
251.10652	10.1
253.08600	3.9
255.06523	4.1
259.07565	6.0
260.08444	3.6
263.10693	14.9
264.07861	4.3
265.08606	7.5
267.09915	2.2
270.08878	4.8
271.09528	8.9
276.07874	9.2
277.08572	4.7
279.10107	19.4
281.07977	2.5
281.11719	2.4
283.09760	2.9
289.93912	2.1
291.10178	33.0
292.10797	4.0
293.08209	3.1
296.10416	8.5
297.11273	2.8
308.10547	6.7
309.11331	8.4
311.12723	14.7
323.12753	38.8
323.16678	2.6
341.13736	24.4
341.18097	7.1
341.21719	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	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01860	1.7
55.05505	2.2
57.68483	0.7
59.81029	0.6
63.02396	0.7
67.05493	2.1
69.03413	1.1
69.07045	0.7
70.06582	2.5
71.04952	1.0
71.08614	3.0
71.57858	1.1
79.05499	5.7
81.03396	1.0
81.07062	3.7
82.06586	0.9
83.04958	1.0
84.08141	28.9
85.06551	0.7
91.05431	4.8
93.07032	2.5
95.04957	2.1
95.08596	2.1
98.03005	0.6
99.08077	2.3
100.07604	4.6
102.09162	2.7
103.05431	1.2
105.06371	0.9
105.07026	5.8
107.04279	0.9
107.04955	8.5
107.08633	0.9
108.08129	0.8
109.06499	0.7
115.05447	2.6
116.06223	1.6
116.27833	0.8
117.07006	1.0
119.04890	1.1
119.08545	0.8
121.10124	1.4
122.03622	0.7
123.04421	2.8
124.05194	1.4
125.05962	0.9
128.06238	5.0
129.07018	19.0
130.12233	1.2
131.04907	2.0
131.08537	1.8
133.02849	1.0
133.06453	3.6
137.05983	8.7
141.06995	1.0
144.05682	3.2
145.06477	1.8
147.04416	1.4
147.08005	1.0
149.05942	0.9
149.13179	0.7
151.03813	0.8
152.04648	0.8
153.01781	0.8
153.05458	3.0
154.15948	2.4
155.04967	3.5
155.14305	4.8
156.05669	1.9
159.08064	10.3
161.05975	8.6
161.09607	1.7
165.07013	1.7
166.15948	4.8
167.07036	19.1
167.08359	0.7
172.05188	2.2
172.13316	6.0
175.07584	3.9
177.05531	0.8
177.09122	1.0
178.07773	5.2
179.07008	2.1
179.08553	1.6
181.06427	1.0
184.16963	100.0
185.31639	0.8
187.07536	30.0
188.07910	0.8
189.06999	2.2
189.09111	2.1
190.07802	2.1
191.08568	2.8
192.09334	0.9
193.10139	1.8
195.08055	1.0
196.16989	1.3
198.18530	5.6
202.07748	3.7
203.08539	5.0
205.06465	4.3
206.07275	7.7
207.08022	2.5
217.06508	2.9
217.08499	1.6
218.07278	2.7
219.08029	6.6
220.08823	2.9
221.09589	9.5
223.07446	3.3
224.08162	0.8
231.08044	4.8
233.05978	1.5
234.06754	8.3
235.07555	4.0
237.09042	1.8
238.09959	0.8
240.19534	2.3
245.05998	1.0
247.07634	2.4
248.08292	3.1
249.09114	13.9
250.06213	1.2
250.09743	1.6
251.06999	6.5
251.10873	1.0
252.07645	0.7
252.19621	1.9
259.07458	1.0
262.06232	2.6
262.09967	0.7
263.07031	1.8
263.10593	1.9
265.08521	3.4
266.09399	5.0
267.10043	1.1
276.07773	1.7
277.08603	9.3
278.09268	2.3
279.06461	2.8
279.10095	1.2
280.10907	1.1
281.11725	24.4
281.25836	1.1
282.12143	1.1
283.09543	1.7
291.10278	2.6
293.08157	0.8
294.08823	2.8
295.09656	1.6
299.26950	13.3
302.04187	1.6
309.11194	23.8
310.11847	2.6
311.09277	5.1
311.12561	1.2
313.10608	1.0
323.12845	1.0
323.27087	1.4
326.11490	2.4
341.13815	19.4
341.27966	47.0
342.06000	1.8
342.13617	0.9
349.79581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.1
55.05501	2.1
56.96562	1.7
62.54969	1.3
67.05491	3.2
67.30109	1.4
69.03423	3.0
69.07065	4.1
69.25406	17.9
70.06597	3.9
71.04992	2.1
71.08620	2.2
79.05491	9.6
79.14988	1.3
81.03401	1.9
81.07047	4.9
83.04983	1.6
83.08551	1.6
84.08141	29.0
85.06525	1.4
91.05417	7.0
93.07040	5.0
94.04172	4.1
95.04949	4.5
95.08590	4.6
97.06564	1.8
98.97597	1.8
99.08066	3.7
100.06569	1.4
100.07614	4.7
102.05691	1.3
102.09170	2.9
103.05462	3.0
105.07023	9.1
107.04937	10.2
109.06510	2.4
110.97705	1.6
111.04475	2.4
111.08079	1.7
115.05453	3.0
116.06274	2.0
117.07024	1.9
119.04929	1.9
119.08598	3.2
121.06416	1.5
121.10140	2.5
122.03636	5.9
123.04471	2.6
125.05981	2.5
128.06244	6.9
129.07005	16.2
130.12259	2.9
131.04900	5.4
133.02856	7.3
133.06465	3.4
135.04443	1.6
135.11723	1.5
137.05969	85.4
138.06285	1.5
143.04973	1.7
144.05708	3.9
145.02843	2.1
145.06451	2.9
149.05972	3.9
151.03893	3.3
151.07503	4.7
153.05431	2.5
154.15939	2.3
155.14310	3.6
156.05666	1.9
157.06422	4.8
159.08073	6.1
160.05190	3.6
161.05981	11.5
161.09589	1.6
163.07521	4.5
165.05460	2.8
166.15939	4.1
167.07057	13.8
168.05782	2.7
168.07347	1.6
172.05197	5.0
172.13347	5.0
174.06721	6.2
175.07532	18.1
177.05489	8.9
178.07776	3.9
179.07109	3.1
184.16962	100.0
187.07530	38.7
188.08099	1.6
189.07468	2.0
189.09061	11.9
190.07852	2.2
191.07039	2.4
191.08611	4.3
196.05156	5.1
197.05980	3.5
198.18558	3.9
199.07590	2.4
202.07819	5.5
203.08524	18.1
205.06506	4.8
206.07288	5.9
207.08060	3.6
211.07536	16.0
213.05493	2.0
217.06689	2.9
217.08540	12.4
218.07249	2.1
219.08028	9.7
220.08743	8.7
221.09727	8.1
223.07515	3.5
227.06966	10.3
228.07872	1.6
231.08078	12.3
232.08781	2.9
233.06071	2.3
234.06757	6.0
235.07523	6.5
236.08206	1.5
239.07048	9.1
240.07785	13.1
241.08562	1.8
247.07549	6.0
248.08327	22.3
249.09096	12.3
251.07060	5.6
251.10684	3.7
253.08473	1.9
255.06487	9.7
256.07321	6.0
259.07617	4.7
260.08298	2.5
261.09259	2.3
262.06207	2.4
263.07132	2.6
263.10635	11.9
264.07742	2.8
265.08618	6.7
266.09344	4.3
268.07324	3.7
270.08841	14.1
271.09634	36.2
276.07761	7.8
277.08627	10.8
278.09369	2.0
279.10144	6.7
280.10812	1.7
281.08636	2.8
281.11697	15.3
283.09616	11.5
291.10135	47.2
292.10791	5.5
293.08099	7.2
294.08893	3.7
296.10458	3.5
297.03799	1.7
297.11179	3.4
299.26920	14.2
302.04260	3.2
308.10355	5.7
309.11203	21.1
310.11774	3.4
311.09354	3.0
311.12790	6.1
313.10617	1.9
313.14133	2.6
323.12796	26.6
326.11682	2.6
341.06888	2.1
341.10025	3.6
341.13776	30.2
341.27982	49.8
342.06042	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	341.1017
Annotation	Vitrofolal F
Peak:m/z	Relative Intensity
53.23102	0.8
55.05507	1.6
57.07074	1.0
67.05493	1.6
69.07052	0.9
70.65275	1.7
70.65643	1.6
79.05484	2.5
81.07049	3.1
89.18087	0.8
91.05444	2.3
92.02609	0.9
93.07053	2.0
95.04948	0.8
105.07023	1.7
107.08593	1.3
109.10154	1.3
116.58279	0.7
119.04994	0.9
119.08595	1.4
121.10109	1.5
129.06998	1.3
131.08527	0.8
133.06424	0.9
133.10127	0.9
137.05983	3.7
149.05992	0.9
153.06989	1.0
159.04390	1.2
160.05188	1.8
161.05934	2.0
165.06947	1.2
171.08067	1.1
175.07521	1.1
181.06459	3.2
182.07236	1.5
184.08798	1.0
187.07584	1.1
195.06468	2.1
195.08069	2.2
199.07568	2.9
206.05721	2.3
209.05904	1.5
210.06790	4.6
211.07573	5.5
213.05402	1.1
213.09155	1.4
219.13026	0.9
223.07524	2.1
224.08296	2.2
225.09096	3.4
226.06168	1.2
227.07037	3.0
238.06210	3.4
239.07005	2.3
240.08043	1.2
241.08667	4.0
249.18735	0.9
251.07060	2.7
252.07777	2.5
253.08717	4.0
254.09503	1.8
255.06541	2.9
266.05722	1.4
269.07983	3.3
270.08875	2.1
280.07257	1.2
281.08118	3.1
282.08728	1.0
283.05997	3.4
285.11285	3.0
291.10132	1.1
293.01355	1.1
297.07556	17.9
298.08331	1.8
309.07562	6.1
309.10883	1.5
311.05435	7.9
312.06259	4.8
313.07196	0.9
313.10776	3.8
325.07062	17.1
326.07883	14.0
332.24155	0.9
341.10196	100.0
342.10477	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	340.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22300	0.8
51.49884	0.8
54.07005	0.9
55.05511	6.2
57.07069	1.8
62.06086	100.0
65.03944	1.0
67.05495	11.3
69.07060	5.1
70.07365	1.0
70.84671	2.1
70.85046	1.7
71.04975	1.1
71.08630	18.8
79.05490	6.2
81.07045	15.9
83.04988	1.1
83.08600	4.1
87.25639	1.0
89.74157	0.9
91.05465	5.0
93.07041	6.6
95.08599	13.5
97.06544	1.2
98.06036	2.4
99.04452	1.2
99.08089	13.3
105.07038	4.7
107.08562	4.3
107.95288	0.9
109.10181	4.3
111.87154	0.9
119.08562	3.1
119.68470	1.0
121.10113	2.4
123.11638	1.3
131.08554	2.4
133.10118	1.3
135.11714	1.9
137.13251	1.3
145.10103	1.9
147.11671	5.5
149.13216	1.7
163.14809	2.8
165.12723	2.2
173.13333	1.2
194.31836	1.0
205.12025	1.2
224.20064	4.7
242.21143	8.5
243.21027	1.9
261.22125	2.1
279.23114	4.5
283.38156	1.0
322.27377	68.7
323.25357	4.3
340.19690	15.5
340.23532	1.5
340.24338	1.1
340.28470	15.5
341.20847	52.9
363.45926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
55.06788	0.7
56.05032	1.3
56.96578	0.9
58.06583	2.8
59.04819	0.6
60.05635	2.1
65.03936	0.9
67.05480	2.1
68.05036	0.7
69.03412	1.3
69.07086	1.2
69.37242	0.6
69.58566	0.7
70.06590	11.7
71.04990	1.1
71.08625	4.2
71.41840	1.4
71.42200	0.9
72.08154	29.0
73.08472	1.3
79.05476	1.0
81.03412	1.9
81.07047	2.5
82.06588	1.3
83.06087	1.3
84.04482	2.8
84.08141	37.3
85.02914	1.1
85.04007	1.2
86.07191	0.8
86.09706	1.0
87.07973	0.9
89.06024	0.6
91.05392	4.0
93.07026	2.4
95.04951	1.6
95.08581	1.6
95.18860	0.7
96.08126	1.1
97.07644	1.8
98.06048	1.9
98.09704	0.7
99.08086	5.9
100.07613	17.5
100.08681	0.9
103.05450	1.0
103.49759	0.6
104.35450	0.7
105.07027	1.9
107.04948	1.9
108.04469	0.8
109.02879	1.2
110.07169	1.6
112.07599	1.1
112.11224	0.8
114.09157	0.9
114.10297	4.4
115.08685	1.0
115.10647	1.1
117.07036	0.8
117.82973	0.6
119.04966	1.5
119.08585	4.0
120.08105	1.6
121.02878	0.9
122.03635	0.9
123.04327	0.7
127.12275	0.7
128.10701	0.8
129.10178	0.8
130.05017	1.3
131.04533	2.0
131.12924	5.2
133.02832	2.2
133.10110	1.1
135.04453	0.7
137.05960	8.1
145.02837	1.5
147.04413	2.5
147.08054	1.9
148.04648	0.9
148.08502	0.8
149.05949	1.5
150.05382	0.7
154.15889	5.8
155.08186	0.8
155.14299	6.4
157.10873	2.0
161.02292	1.0
161.09581	1.1
165.05443	1.3
165.09120	1.2
166.08588	0.9
166.15913	5.6
167.07034	1.3
168.17439	3.4
171.14943	5.3
172.16992	1.8
175.07495	1.3
177.05441	1.7
178.05933	0.9
179.03395	1.4
179.07045	0.7
184.16965	100.0
185.17331	1.9
186.15933	0.7
187.07529	2.4
189.09038	1.0
193.02774	0.9
193.04944	1.0
196.17010	0.9
199.07245	0.7
203.08685	0.8
212.20081	6.2
212.76283	0.7
216.04691	0.8
217.08540	1.7
219.07974	0.7
222.18529	1.9
226.17931	0.7
227.83682	0.7
229.22739	43.9
231.08142	1.4
240.19588	1.9
248.08421	1.0
249.09184	0.9
252.06815	0.9
252.19632	2.9
263.10583	1.1
269.22382	0.9
279.10147	0.9
281.11749	0.8
291.10101	2.2
298.28659	1.2
309.11285	1.1
311.12830	0.8
322.28598	3.5
323.12885	1.0
323.16937	1.0
323.26913	3.0
340.13339	1.0
340.19754	2.6
340.29562	72.8
341.13889	2.7
341.18195	2.4
341.29834	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.65379	2.4
53.03946	6.4
55.05508	16.9
56.96579	2.6
57.03424	7.9
57.07067	6.7
57.56269	2.4
65.03949	3.6
67.05501	100.0
69.07065	17.6
69.35703	18.5
69.36127	6.7
71.04993	3.3
71.08609	4.6
79.05483	60.8
79.05906	4.7
81.03402	9.7
81.07053	95.3
83.08614	8.6
84.08215	2.8
85.06537	5.3
91.05474	30.9
93.07040	71.6
95.04971	7.7
95.08610	70.2
97.06522	5.8
97.10217	3.6
99.08078	3.8
105.07030	33.0
107.08589	40.1
109.06506	4.1
109.10152	40.8
111.04420	3.3
111.08068	3.2
117.07014	14.3
119.08572	30.9
121.10150	43.9
123.08051	5.6
123.11700	19.1
123.71492	2.8
129.07031	3.3
131.08562	28.7
133.10136	21.8
135.11693	36.9
137.09595	3.4
137.13232	6.6
145.02940	3.4
145.10086	18.3
147.11707	20.1
149.13237	29.4
149.99866	2.8
151.11115	4.4
155.08606	2.8
157.10159	3.8
159.11661	17.4
161.13260	6.1
163.14824	10.4
165.12820	3.0
173.13254	21.2
175.09579	3.8
175.11261	4.2
177.05498	6.7
187.14877	7.2
219.21173	4.4
229.19492	27.8
247.20560	78.0
248.21132	3.8
265.21634	4.7
283.16968	25.2
321.24329	7.8
339.31421	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	339.9834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44524	2.0
70.58516	8.2
71.48100	1.9
84.75195	1.8
87.78470	1.8
91.01886	2.2
94.92996	14.1
96.03076	1.8
116.89479	2.1
119.92516	6.1
136.94008	6.0
157.87984	2.1
168.70831	2.0
173.97182	10.3
188.93530	3.9
196.68390	2.1
212.85234	5.3
217.96196	6.2
218.94539	4.3
219.94099	88.8
221.95642	11.6
224.01756	8.2
249.95171	22.4
261.95160	6.8
265.12387	2.5
279.96216	100.0
285.89328	2.2
339.98209	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	339.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.8
55.25885	0.9
57.03423	3.1
57.07075	15.3
57.16047	1.0
67.05497	4.2
69.07070	13.6
71.08634	2.1
71.58670	1.5
71.59034	1.1
79.05500	3.7
81.07046	7.0
83.08632	6.0
85.10201	1.1
91.05480	5.8
93.07045	3.7
95.08604	6.1
97.06532	2.6
97.10175	5.1
105.07035	11.2
107.08590	5.5
109.10146	2.7
110.21947	0.9
111.11764	1.3
117.07015	1.3
119.08580	17.7
121.06528	3.6
121.10141	27.8
123.11720	1.1
133.06529	2.2
133.10127	15.8
135.11723	2.9
142.07710	1.6
145.10114	1.9
147.08182	1.1
147.11688	20.2
155.12328	1.0
175.11177	9.9
247.24226	1.1
283.16928	100.0
284.17322	2.0
339.23233	10.5
339.28949	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	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09729	5.6
53.03940	7.9
55.01877	35.2
55.05508	39.2
55.33995	5.4
57.03437	35.2
57.07056	5.0
67.05504	84.4
69.07069	28.6
69.91540	24.1
71.05006	5.8
79.05497	69.1
81.03407	11.1
81.07060	91.1
83.04963	36.8
83.08593	7.7
85.06528	10.0
91.05479	70.6
93.07044	60.3
95.04967	88.9
95.08590	38.5
97.02894	11.9
97.06544	9.7
98.07299	6.2
98.20793	6.4
103.05440	9.2
105.07024	52.7
107.04959	100.0
107.08591	20.6
108.05742	12.7
109.06505	47.7
109.10150	16.2
111.04414	6.7
111.08037	5.1
112.05236	10.9
113.06018	10.3
115.05416	6.4
117.07023	34.7
119.08588	40.8
120.05727	6.1
121.06540	26.6
121.10140	15.5
122.07281	21.8
123.04414	15.5
123.08054	8.5
128.06218	8.3
129.07019	14.7
130.79016	5.2
131.08554	43.4
133.06474	22.0
133.10083	20.1
135.08052	29.5
135.11678	14.5
137.09694	9.4
143.08594	9.3
145.06473	19.8
145.10127	28.6
147.08038	31.0
147.11691	8.3
148.08766	6.3
149.09627	5.8
151.07504	7.7
155.08450	5.8
157.10135	7.8
159.11720	18.4
161.09619	19.5
161.13257	8.2
162.10457	11.4
163.11163	17.8
165.09106	15.2
166.62407	6.3
169.10214	5.2
171.11638	13.5
173.13239	17.5
175.11145	7.9
177.12759	6.8
187.14798	20.3
193.04848	6.3
197.13274	12.7
205.15964	13.3
215.14322	19.0
216.79904	5.6
233.15376	87.0
265.18015	32.9
273.18475	16.6
286.05914	7.2
339.27823	23.4
339.77832	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	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	27.1
54.04509	3.3
55.01874	16.5
55.05514	50.2
57.03440	15.7
61.41220	3.6
65.03938	4.7
67.05505	94.2
68.05837	3.4
69.03421	7.8
69.07077	19.8
70.00358	12.4
70.00770	7.1
71.04646	4.7
71.04996	47.9
73.06531	3.5
79.05019	3.8
79.05488	72.3
81.03415	48.7
81.07059	100.0
83.04984	52.3
83.08625	16.7
84.41481	3.0
85.06545	13.1
91.05482	72.0
93.07037	81.0
95.04967	41.4
95.08613	48.2
97.06535	10.2
97.10184	6.9
98.21410	5.0
99.04430	4.0
99.08072	4.1
101.06012	5.0
104.10139	3.0
105.07042	49.2
106.72633	2.8
107.04953	34.3
107.08587	29.3
109.02895	3.6
109.06519	38.8
109.10171	7.2
111.04475	6.0
111.08080	6.9
113.06000	4.2
117.07024	27.2
119.08554	31.8
121.06519	20.2
121.10159	11.6
123.04407	9.0
123.08062	23.3
125.05949	4.0
127.62601	3.6
128.06221	4.6
129.06995	16.7
131.04829	3.5
131.08578	36.0
133.06502	13.7
133.10121	23.3
135.08058	14.7
135.11694	20.2
137.09596	7.9
137.34972	4.2
141.07019	8.9
141.09142	3.5
143.08597	14.2
145.06494	15.0
145.10155	19.4
147.08040	13.0
147.11653	16.2
149.09604	8.7
149.13261	11.8
151.07565	4.5
151.11180	4.1
155.08545	4.7
157.10114	16.9
159.08086	22.4
159.11685	17.9
161.09656	16.4
161.13240	7.9
163.07516	5.4
163.11241	10.0
169.10129	10.3
171.11670	16.4
173.09642	9.3
173.13281	10.6
175.11169	9.1
177.09138	8.7
177.12708	19.7
181.10130	4.4
183.10126	9.9
185.13330	4.7
187.11191	11.7
189.12776	12.4
191.14316	8.4
192.35738	3.5
199.11282	3.7
201.12822	3.6
207.13783	17.7
209.13260	4.8
215.14343	7.0
217.12268	5.9
219.13829	6.9
231.13924	3.9
233.11714	4.4
233.15433	11.3
235.15053	3.9
237.14894	9.5
243.17491	5.8
253.15991	6.2
261.18491	15.1
263.16415	4.3
269.11237	4.2
271.16940	33.9
289.17993	71.5
303.19598	28.3
321.20718	12.5
339.19000	14.0
339.21979	14.1
339.27747	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1929
Annotation	1-dodecylglycerone 3-phosphate
Peak:m/z	Relative Intensity
50.03385	0.5
53.03951	0.8
55.05499	1.3
63.94827	0.4
67.05489	1.7
69.03410	0.7
71.00249	1.3
71.04990	0.8
71.93787	0.5
79.05486	1.7
81.03426	0.9
81.07076	2.6
83.04981	1.8
91.05481	1.0
93.07018	1.2
95.04959	0.6
95.08587	1.5
103.87023	0.5
105.07024	1.6
107.04964	0.9
107.08582	0.6
111.72337	0.5
117.06977	0.8
119.08580	1.2
119.97625	0.5
121.10114	0.5
123.08045	0.6
127.27412	0.5
130.13864	0.4
131.08566	0.9
133.10118	1.0
159.07986	0.6
159.11719	0.9
177.12787	0.5
203.10468	0.7
265.33813	0.5
289.17999	1.7
295.20367	1.3
303.19400	0.5
339.19305	100.0
340.19705	4.9
361.40591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02998	6.7
55.05511	20.5
57.71886	3.7
59.04862	7.0
60.05651	30.2
68.12069	3.0
69.86370	3.1
70.06587	46.7
72.08153	92.4
73.06441	16.5
79.05476	6.4
80.13048	3.1
84.08109	3.2
85.02898	13.4
86.06107	3.5
86.07180	21.0
87.07969	34.8
89.03896	6.7
91.05448	9.8
93.03331	3.5
95.04967	6.7
97.07659	24.7
98.06066	22.8
98.07129	3.4
100.08735	9.7
101.09483	5.6
102.06626	3.9
105.03381	6.0
107.04954	6.9
110.07160	9.0
111.04386	5.0
112.08734	15.9
114.10288	58.9
115.08690	10.7
116.08196	5.6
117.03334	10.0
119.04957	9.2
119.06874	4.4
119.08570	13.0
121.02878	17.7
123.04433	4.9
127.09775	13.2
128.07037	3.9
129.11429	4.0
130.12149	5.2
131.12924	27.7
132.04491	3.9
133.02840	10.7
134.03619	6.4
135.04370	8.9
137.05980	27.9
139.03928	4.5
141.01801	5.8
145.02837	28.5
147.04373	14.9
147.08038	4.8
148.03891	7.1
149.02290	21.1
149.05942	6.1
150.05519	3.7
151.03873	13.0
152.07060	17.6
153.05417	5.9
157.10822	28.7
158.11543	4.7
160.03896	3.5
163.03891	11.9
165.05479	15.6
175.03883	14.9
176.04628	6.1
177.01790	3.5
177.05493	56.7
180.06685	3.6
181.04935	11.5
183.39183	3.3
191.03412	5.2
208.06021	7.6
209.04523	13.3
229.18552	4.2
234.11232	6.4
247.08060	3.4
247.10802	3.8
248.09171	4.6
258.53543	3.5
261.12103	4.8
262.10706	19.2
270.14703	3.5
272.10263	4.9
276.13391	4.7
279.13324	8.3
280.11786	11.3
289.13132	5.2
292.15329	12.3
304.12799	15.1
304.16241	3.6
305.16077	15.2
306.16876	15.6
307.13910	13.3
321.15524	28.4
339.16641	100.0
339.20285	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	339.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02974	3.5
55.05501	15.5
56.96552	6.9
57.39661	3.4
59.04855	9.0
60.05649	29.6
61.46811	3.3
61.55601	2.9
63.98081	3.7
70.06590	43.0
71.31879	4.3
71.32227	7.6
71.85910	3.4
72.08157	83.1
73.06437	8.1
83.10644	3.3
84.04488	6.7
84.08155	7.3
85.02898	17.6
86.06088	3.6
86.07195	28.9
86.09716	4.2
87.07967	42.6
91.05481	8.2
93.03405	3.8
95.04947	4.1
97.02877	7.1
97.07648	18.9
98.06075	20.5
99.85359	3.4
100.07597	4.6
100.08745	15.4
101.09582	4.6
105.03442	3.7
107.04929	4.5
109.02859	4.0
110.07169	12.9
111.04440	7.9
112.08739	9.7
114.10284	45.1
115.08701	13.9
116.08215	6.2
117.03388	12.7
119.04947	11.0
119.06945	3.6
120.08112	3.9
121.02879	15.8
123.04446	4.6
124.04055	3.4
127.09789	8.4
128.07045	7.3
129.10287	3.4
129.11351	8.3
130.04980	3.5
130.12125	6.5
131.12924	27.2
133.02870	10.5
134.03607	4.2
135.04410	8.3
137.05963	26.5
140.08206	5.2
141.01814	8.1
145.02861	25.2
145.04956	5.7
147.04411	33.0
148.03922	7.3
149.02356	24.7
149.05986	5.0
151.03905	12.4
152.07065	22.4
152.08131	5.0
153.05452	5.1
157.10837	30.5
158.11671	8.0
163.03894	15.0
165.05482	12.7
167.03415	4.4
168.19171	3.5
177.01874	6.4
177.05489	53.6
181.04942	13.6
187.11911	6.7
190.10641	4.0
191.03375	8.8
208.06041	4.9
209.04431	6.8
233.10583	4.3
257.07025	4.9
261.12549	4.9
262.10770	14.5
279.13556	5.9
280.11758	10.6
290.11282	3.8
292.15375	12.4
293.16058	5.2
304.05450	4.4
304.12903	13.3
305.11292	4.7
305.85965	3.6
307.14105	5.4
321.15509	16.8
339.16568	100.0
339.20349	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	339.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	6.2
55.05505	5.6
56.05022	5.4
57.03435	5.6
58.81107	3.6
59.41047	4.2
60.04509	8.4
61.02924	5.3
64.64475	4.3
67.05500	13.9
69.03417	29.6
69.07075	9.5
70.06589	11.9
71.56970	6.5
72.08154	12.1
73.02911	5.5
74.06075	7.5
77.66788	4.1
79.05485	6.8
81.03413	6.5
83.04972	11.7
84.04506	13.0
84.08153	13.8
85.02903	67.0
85.06553	5.4
86.06056	14.2
86.09698	8.8
88.03963	6.1
91.05447	9.1
93.07024	7.2
94.06562	41.2
95.01312	13.4
95.04956	6.5
97.02882	19.9
98.97591	6.6
100.07614	4.6
105.03739	9.7
107.07294	4.5
108.08116	27.0
110.07126	5.8
111.04426	13.3
119.07335	5.0
120.08106	44.3
122.06006	29.4
123.04478	5.4
123.06817	16.8
124.07680	5.2
127.03909	10.9
130.04984	6.8
134.09653	7.3
136.06679	5.6
136.07533	29.0
138.05437	6.2
138.09137	6.4
139.03912	14.1
141.01822	39.2
144.08104	12.6
145.02846	8.8
145.04971	17.7
147.04428	14.2
148.07549	31.5
158.09628	9.1
162.09145	18.5
164.07063	15.7
166.03217	33.1
166.08678	18.0
169.08899	11.0
170.09636	4.8
172.07556	9.7
173.07130	6.4
174.07880	9.7
175.08681	5.1
176.07108	5.6
177.05603	17.7
184.11240	10.7
185.09505	5.3
186.09128	17.9
186.12836	4.9
187.09926	10.5
190.08636	25.4
192.06551	11.6
194.08275	6.0
200.10847	5.9
202.08603	11.4
202.12207	22.4
206.08406	8.2
212.10825	11.1
214.08720	14.4
215.09517	10.0
218.08060	11.8
230.11765	52.6
232.09741	8.8
233.12813	7.0
236.09212	13.3
239.11845	14.9
240.10303	12.6
248.12801	32.5
257.12833	12.2
258.11252	68.4
267.11356	25.1
272.11639	11.9
273.12268	6.8
275.13873	18.0
276.12320	100.0
285.12350	40.0
286.10693	18.4
294.13202	10.7
303.13422	46.7
304.11725	54.8
321.14529	20.1
322.12799	32.1
339.11182	11.2
339.15359	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1227
Annotation	Terphenyllin
Peak:m/z	Relative Intensity
52.28399	0.8
53.03936	2.9
55.01866	1.9
55.05495	3.1
57.03417	1.5
61.02917	0.8
63.02359	1.1
65.03931	1.5
67.05498	7.9
69.03429	10.4
69.07070	4.6
69.85384	1.9
69.85793	3.1
70.06592	1.6
71.01359	0.8
71.04967	2.7
71.35040	0.8
72.08138	1.2
73.02903	0.8
77.57327	0.8
79.05493	4.6
81.03410	17.1
81.07047	11.9
82.06539	0.8
83.04992	1.7
83.08599	1.2
84.04478	1.2
84.08120	2.4
85.02896	7.9
85.06532	4.8
86.09717	0.9
89.03902	8.9
91.05469	5.6
93.07039	8.8
95.04952	2.7
95.08601	7.2
97.02882	2.2
97.06540	2.0
98.09667	1.2
99.04433	2.1
100.07612	1.8
103.05442	1.9
105.07038	5.9
106.04140	1.2
107.04962	3.3
107.08591	5.7
109.02863	7.0
109.06508	2.7
109.10145	6.0
111.04442	1.9
111.08083	2.2
115.05437	1.6
117.03378	26.7
119.04926	1.3
119.08554	3.4
120.08088	0.8
121.02873	1.0
121.06544	1.4
121.10139	5.5
122.03600	0.9
123.08035	1.3
123.11693	3.5
125.05978	2.3
125.09615	5.4
127.03972	1.0
129.06958	1.2
130.05008	1.0
131.04951	1.5
131.08562	1.9
133.06503	1.8
133.10083	2.2
134.03639	2.2
134.27287	0.9
135.04419	2.5
135.08072	1.3
135.11678	3.5
137.05975	6.5
137.09624	2.1
139.11195	1.2
144.05692	1.0
145.02840	50.9
145.06461	1.5
145.10109	2.4
146.03233	1.5
147.04399	2.3
147.11716	1.9
149.05965	9.2
149.09615	0.9
151.11128	1.0
153.05502	2.7
153.06935	0.7
155.04868	1.2
159.08066	3.4
161.05969	2.2
161.13245	1.0
163.03882	2.0
163.11249	1.5
165.05621	0.9
165.07014	2.2
167.10634	1.5
171.04427	1.3
175.07545	1.2
177.05466	100.0
178.05807	2.4
178.07785	2.4
181.06409	1.2
182.15489	0.8
185.05994	3.3
186.05380	1.2
186.06786	2.4
187.07524	1.3
189.06944	4.7
190.07768	5.8
191.08536	6.3
193.06526	2.0
194.07184	1.5
195.06474	2.3
195.08086	1.7
202.07829	1.4
203.08543	1.9
205.06500	3.2
205.10165	1.0
206.07237	1.6
207.06363	1.1
207.08151	5.3
208.08809	3.9
214.06219	3.3
217.06467	1.9
218.07272	7.3
219.08061	14.8
220.05148	0.9
220.08812	6.0
221.06003	4.5
221.09590	1.6
222.06769	1.6
225.08997	1.3
229.06691	1.2
229.08633	8.2
230.67491	1.0
231.08060	1.0
233.05959	3.0
233.09607	2.6
234.06752	3.4
235.07526	11.2
236.08270	10.7
237.08980	3.0
238.06230	1.2
239.07033	1.5
246.06772	3.6
247.07521	8.4
248.08327	4.0
249.05492	3.7
249.09036	4.7
250.06264	1.3
250.09808	1.2
251.06877	1.1
251.10666	17.3
252.11107	1.2
253.08580	2.2
260.07968	0.9
261.09113	5.2
262.06329	1.8
263.07019	7.9
264.07816	18.5
265.08521	7.6
266.05780	1.0
267.06543	1.1
274.06470	1.0
275.06946	4.1
276.07761	2.6
277.05844	1.1
277.08527	6.0
278.09296	5.6
279.10184	12.1
280.10876	2.4
281.08081	5.5
282.08856	1.2
283.09720	1.3
283.13055	1.1
285.07578	2.0
289.08594	2.2
291.06613	1.4
292.07288	3.7
293.08078	4.7
293.11264	1.4
294.08762	1.8
294.97693	1.0
295.09525	0.9
296.10361	1.9
303.23251	1.0
306.08923	2.3
307.09622	30.5
308.10297	6.9
309.07690	1.8
309.11075	1.4
311.09244	0.9
311.12808	20.0
321.09631	11.5
324.09857	3.0
339.08762	2.1
339.12277	38.7
340.12619	3.1
352.23441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03933	1.8
55.01865	1.0
57.03433	1.1
61.02914	0.8
67.05496	1.1
69.03429	6.7
69.67258	4.1
71.04992	0.7
73.02892	0.8
79.05465	0.8
81.03416	11.8
81.07037	2.0
83.76398	0.5
84.08129	0.6
85.02901	5.5
89.03914	7.3
91.05465	1.5
93.07030	1.3
95.04969	1.0
95.08604	1.0
97.02887	2.6
97.06512	0.6
99.04456	1.2
105.07020	0.6
106.04181	0.6
107.08609	0.9
109.02870	4.3
109.06459	0.7
109.10148	1.1
114.75311	0.5
117.03376	25.2
119.04936	0.8
119.08566	1.2
121.06539	0.6
121.10079	1.1
127.03899	1.5
134.03612	1.8
135.04387	1.7
135.11676	0.6
137.05977	1.6
141.01811	0.5
145.02838	56.5
147.04434	1.2
149.05978	8.0
151.66458	0.5
163.03915	1.6
165.09125	1.0
168.09093	0.6
177.05461	100.0
178.05806	1.3
186.05490	1.7
189.05510	0.7
195.06531	1.9
207.06444	0.6
219.08084	1.3
236.08292	0.6
247.07683	1.1
251.10692	1.1
265.08734	0.5
279.10251	0.6
296.88309	0.6
307.09677	2.0
311.12921	0.7
321.09656	10.7
339.11816	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08753	0.3
53.03934	1.3
55.01860	0.8
57.03440	0.5
57.41802	0.4
61.02921	0.6
61.57671	0.4
63.02371	0.6
67.05501	1.2
69.03429	5.9
69.07067	0.6
69.62131	2.9
71.04989	0.6
73.02918	0.4
79.05486	0.9
81.03422	8.7
81.07046	1.5
84.08131	0.9
85.02916	4.2
89.03915	8.9
90.83001	0.4
91.05482	2.1
93.07022	1.3
95.04934	0.5
95.08588	0.8
97.02887	3.2
99.04441	1.0
100.07608	0.4
105.07057	0.7
107.04946	0.6
107.08618	0.5
109.02884	3.4
109.10146	0.9
117.03378	26.0
119.04916	1.0
119.08588	0.6
121.10117	0.9
123.08006	0.5
127.03911	1.5
134.03609	2.7
135.04425	1.6
137.05939	1.2
145.02844	58.8
146.03191	0.6
147.04398	0.9
149.05997	9.9
153.05476	0.5
163.03954	1.0
175.03915	1.0
177.05470	100.0
178.05800	1.8
179.08603	0.5
186.05502	1.1
191.08521	0.5
195.06473	1.6
195.08032	0.4
202.07605	0.5
207.06499	1.8
208.08864	0.5
218.07133	0.7
219.07980	1.7
220.08859	0.5
221.05896	0.5
221.09520	0.4
229.08705	0.4
235.07437	0.9
236.08423	0.9
239.01964	0.4
246.06790	0.6
247.07541	1.2
249.05588	0.5
251.10710	1.2
263.06995	0.5
264.07776	1.4
265.08371	0.4
277.08493	0.7
278.09271	0.5
279.10101	1.3
281.07748	0.5
292.07211	0.5
293.08026	0.4
307.09564	2.5
311.12839	2.1
321.09656	6.7
324.09760	0.5
339.12207	4.7
339.16125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
65.03950	2.0
69.03394	1.8
70.04795	2.2
70.05195	7.7
70.06582	4.6
71.98647	1.3
72.08156	7.7
81.54484	1.3
84.04485	1.9
84.08148	4.5
85.02900	5.4
86.07201	1.9
87.07980	2.4
89.03943	1.5
91.05474	12.6
93.03396	1.6
95.01355	1.9
97.07663	2.0
98.06051	2.3
98.07164	1.3
98.20807	1.7
100.07620	2.4
114.10257	3.2
116.07155	1.8
117.03403	2.3
119.04932	24.7
120.08102	1.7
121.02900	1.5
127.03870	1.3
131.12953	1.7
133.02788	1.8
137.05988	3.7
141.01842	3.0
141.62221	1.3
145.02869	6.0
147.04408	100.0
149.02309	2.2
152.07051	1.8
157.51955	1.2
165.05522	3.0
173.84717	1.3
177.05486	9.6
219.02892	9.4
261.03949	5.4
262.10846	1.5
339.16507	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	339.1076
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.84762	1.2
53.03941	1.6
55.05515	3.5
65.82506	1.5
67.05499	2.9
69.03426	9.9
69.07070	3.0
70.06580	6.1
71.04974	2.7
72.08148	3.0
79.05487	4.2
80.05010	1.6
81.03428	7.8
81.07034	4.6
82.06568	3.0
84.04482	2.0
84.08146	62.9
85.02896	6.1
86.09713	2.0
89.03918	4.5
91.05488	11.0
93.07037	4.3
95.08592	2.8
96.08100	1.9
97.02895	2.4
98.09708	2.1
99.04424	3.6
100.07621	9.8
102.09170	4.0
103.05497	1.9
105.07019	4.0
107.08606	3.5
109.02863	3.4
109.06440	2.1
111.08077	1.7
114.09157	1.8
117.03387	9.6
119.04958	11.8
119.08607	2.5
121.06581	1.7
121.10130	1.8
126.12806	1.8
127.03915	4.4
127.07619	2.1
133.10126	1.9
135.11723	1.5
137.05984	8.7
145.02850	25.6
146.08136	1.5
147.04422	39.1
149.05984	6.5
151.03865	2.3
151.11188	2.0
158.52937	1.4
159.08206	1.7
164.14368	13.9
172.13321	5.7
173.09613	2.1
177.05472	45.0
182.15411	100.0
187.06047	3.2
189.09126	1.7
195.06439	2.1
196.17039	7.3
218.07343	1.8
238.18074	1.9
250.17836	2.3
261.08853	2.3
275.07251	1.7
289.08545	1.9
297.25430	15.4
307.09500	2.9
321.10498	2.5
339.12677	7.3
339.18304	2.0
339.26410	48.5
339.30603	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
55.05514	7.3
56.76434	1.1
57.07065	3.0
62.06087	100.0
65.23499	1.3
67.05498	16.4
69.07066	6.0
71.08629	24.2
79.05487	16.0
81.03413	3.3
81.07053	20.2
83.04974	3.7
83.08621	3.1
85.06532	1.9
91.05469	9.5
93.07042	16.0
95.04958	3.6
95.08607	10.9
96.08168	1.2
97.06528	3.6
97.10173	1.5
98.06051	3.7
98.20777	2.7
99.08092	14.8
105.07013	6.5
105.83084	1.2
107.08586	9.2
109.06532	2.0
109.10166	4.6
117.07016	1.3
119.08570	7.1
121.10135	5.9
127.56400	1.3
129.07010	1.2
131.08601	1.3
132.12225	1.4
133.10158	2.9
135.11696	6.6
137.09544	1.6
145.10121	4.5
147.11670	2.9
149.13298	2.0
150.31137	1.3
151.11214	5.9
153.12695	1.7
160.13281	1.2
161.13266	4.8
163.11171	2.9
163.86662	1.4
165.12817	1.3
171.11758	1.6
174.09140	2.9
179.14333	8.5
189.12636	2.2
196.13261	2.1
222.18552	13.1
240.19592	26.0
241.19626	1.4
256.23340	1.2
259.20740	1.8
277.21658	5.5
277.54684	1.2
320.25827	88.2
321.23907	2.7
321.26306	1.7
338.20526	2.3
338.26974	11.4
339.19327	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	338.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41030	0.8
55.01863	1.2
55.05494	3.5
55.06220	0.9
57.03439	12.1
57.25512	0.9
61.87786	0.8
62.06089	100.0
67.05502	12.3
69.07057	3.8
69.35908	5.1
69.36333	4.0
79.05496	11.8
81.03398	1.8
81.07058	12.2
83.08612	1.9
85.06522	2.4
91.05477	9.2
93.07053	12.6
95.04953	2.6
95.08607	12.2
97.06519	2.0
97.10175	1.3
98.06023	1.7
99.04494	1.0
99.08090	1.5
105.07032	7.3
107.08598	9.9
109.06544	1.4
109.10137	3.9
111.08076	1.5
117.07008	3.9
119.08567	5.2
121.10165	7.8
123.11710	1.6
131.08582	5.2
132.04402	1.7
133.10123	6.3
133.52898	0.9
135.11682	3.8
145.10121	3.3
146.06026	1.9
147.11662	3.7
149.13214	2.1
159.11702	2.9
161.13245	2.4
163.11179	1.1
163.14719	1.1
171.11702	1.3
173.13199	0.9
174.09116	4.7
175.14836	1.1
177.05426	1.0
181.17885	0.9
185.13187	2.1
187.14839	2.7
192.10312	1.1
200.63751	0.9
212.16400	0.9
218.76422	0.9
221.19043	2.9
259.20627	2.0
264.23193	5.0
272.15134	1.0
277.21597	2.9
280.22800	1.5
282.24295	7.6
283.17041	2.1
302.24902	1.1
320.25845	48.3
321.23877	4.2
338.23312	1.2
338.26968	13.7
339.19202	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01876	1.9
55.05513	8.2
56.08934	1.5
57.03434	1.8
57.07077	3.1
62.06089	100.0
65.46571	1.5
67.05504	19.9
69.07056	6.3
69.46627	13.5
70.06580	4.7
71.04974	1.6
71.08636	20.4
73.02911	4.3
79.05495	13.4
81.03433	5.0
81.07061	20.6
83.04993	4.0
83.08622	2.5
84.04503	6.6
85.02899	2.3
85.04838	1.6
88.07641	6.1
91.05479	10.6
93.07053	13.2
95.04969	4.1
95.08617	9.7
97.10181	1.7
98.06058	5.7
98.09113	1.6
99.08102	13.8
102.09171	3.7
105.07034	8.1
107.08594	8.2
108.08897	1.3
109.06499	3.3
109.10160	5.2
111.04415	2.4
117.07009	1.9
119.08574	8.3
121.10139	5.5
123.11742	1.5
124.11210	4.0
125.05975	1.5
126.05505	6.3
127.05809	1.7
128.06090	1.4
129.06999	1.8
131.08562	3.7
132.04451	3.8
133.10127	5.6
135.11682	4.9
137.05988	11.9
138.05476	3.9
140.06010	1.7
142.12149	1.8
143.08551	2.0
145.02882	2.0
145.10138	3.8
146.06009	6.3
147.11682	3.2
149.13184	2.0
151.11194	4.2
161.13260	4.0
163.11163	3.2
171.11729	2.7
174.09131	14.3
175.14899	2.8
177.05482	4.5
179.14247	3.6
185.13327	1.9
192.10187	4.5
196.13380	12.2
214.14383	15.7
217.19511	1.7
217.31400	1.4
222.18584	13.3
240.19569	14.1
253.50455	1.8
256.26349	23.5
259.20648	4.6
277.17896	2.3
277.21619	5.5
295.19092	1.8
320.22229	11.9
320.25775	68.6
332.93237	1.6
335.57391	1.6
338.23441	2.4
338.27267	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	338.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63504	0.9
54.12849	0.8
55.01861	1.4
55.05505	2.9
56.05031	1.5
56.96568	0.9
57.03430	1.1
60.04523	1.0
60.05641	2.1
61.02895	1.1
63.63943	0.8
67.05497	1.0
69.03428	2.4
69.07049	1.0
69.52117	2.2
69.52520	4.4
70.06596	8.0
72.08155	32.2
74.06068	4.7
79.05495	2.3
81.03434	1.0
81.07079	1.5
82.06568	1.0
83.06104	2.3
84.04499	3.6
84.08144	24.9
85.02909	9.7
86.09704	4.1
91.05480	15.0
93.07039	4.9
93.30526	0.9
94.06577	2.6
95.01327	1.5
95.04957	1.2
97.02895	3.5
97.06519	2.1
97.07613	1.4
98.09695	2.4
98.97596	1.0
100.07612	10.2
102.05544	0.9
105.07072	1.3
107.04987	1.4
109.02891	1.4
109.07635	1.6
110.06050	1.0
110.07167	6.7
112.11216	0.9
114.10298	5.0
115.03947	0.9
115.08663	1.7
117.06970	1.0
118.08620	4.2
119.04936	13.8
119.08649	1.0
120.08123	8.3
122.50523	0.9
127.03900	2.2
127.08636	1.0
128.79584	0.9
129.10211	2.4
130.05005	0.9
131.12915	2.2
134.65831	0.9
134.99632	0.9
135.04443	1.9
136.07578	100.0
137.05972	1.3
141.01804	2.6
145.02872	1.0
145.04935	2.2
145.09718	3.5
146.05969	1.9
147.04413	16.7
148.07582	1.3
150.05453	1.0
157.10902	1.3
162.05560	1.3
163.03937	2.1
164.14359	2.6
166.08643	3.9
171.14906	2.2
173.09265	3.2
177.05371	2.1
182.15413	21.9
190.04903	1.2
192.06561	2.3
193.09726	54.2
199.11900	1.1
205.87465	1.0
207.06493	1.4
208.06819	1.0
209.09293	1.1
210.18541	2.4
213.00696	1.2
221.09164	6.3
227.21191	12.0
250.18118	1.3
260.55023	0.8
277.16571	2.7
277.65039	1.0
292.16458	6.0
338.17377	16.1
338.27994	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	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.12848	1.0
53.03925	3.1
55.01873	1.5
55.05510	40.8
57.03436	26.3
57.07065	7.4
64.15084	1.0
65.03916	3.2
67.05502	94.0
69.03391	1.1
69.07067	54.4
69.41863	1.1
69.42203	10.6
71.04989	2.3
71.08626	2.2
79.05068	1.7
79.05492	23.8
81.03387	1.1
81.07052	93.0
82.07401	1.7
83.04982	2.1
83.08143	2.1
83.08617	26.2
85.06535	2.8
85.10220	1.0
91.05485	16.2
93.07037	21.5
95.04961	2.7
95.08604	68.3
97.06520	7.0
97.10165	14.8
97.91050	0.9
99.08087	3.2
105.07020	10.5
107.08600	11.6
109.10155	25.7
111.08098	2.4
111.11681	1.9
119.08571	8.9
121.10144	10.9
123.08148	1.7
123.11704	11.0
125.09604	2.8
133.10136	10.0
135.11703	6.6
137.09621	2.2
137.13249	4.5
147.11699	5.8
149.13271	2.9
151.14818	1.7
161.13261	4.2
163.14867	3.8
165.16417	1.6
175.14844	3.4
189.16353	1.4
213.82332	0.9
245.22527	3.2
263.23730	5.0
332.53592	1.2
337.27362	100.0
338.27686	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	337.2734
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03937	2.7
55.01867	1.7
55.05510	47.9
57.03153	1.7
57.03437	31.4
57.07079	6.4
57.19112	1.1
65.03935	3.2
67.05503	100.0
68.06213	1.0
69.07066	56.8
71.01125	3.4
71.04977	4.4
71.08608	4.1
77.70815	0.9
79.05492	24.4
81.07054	91.9
81.35165	1.0
82.07387	2.6
83.04962	2.1
83.08613	26.9
85.06526	3.1
85.10188	1.5
91.05487	16.2
93.06470	1.7
93.07043	21.7
95.04961	1.5
95.08606	65.3
96.08935	1.5
97.06522	5.4
97.10173	13.5
99.08088	2.7
105.07026	12.7
107.08578	12.6
109.06493	1.6
109.10152	25.1
109.43775	1.1
111.08062	3.5
111.11713	3.0
119.08579	10.2
121.10135	9.4
123.08068	2.2
123.11681	9.1
125.09623	2.5
133.09305	1.2
133.10144	9.7
135.11638	5.3
137.09653	1.7
137.13284	2.9
139.11169	1.6
147.11722	7.3
149.13287	3.2
151.14839	1.7
153.12708	1.3
161.13234	5.8
163.14809	3.0
175.14757	3.1
189.16197	1.4
219.21158	1.2
245.22595	2.8
263.23767	3.1
337.27347	89.3
338.27719	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	337.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91492	8.7
53.71312	11.3
55.01863	16.8
55.05499	35.6
57.03432	19.1
62.33908	9.0
65.95237	9.5
67.05514	52.0
69.03428	13.9
69.07056	32.9
69.54233	82.7
70.06609	13.9
71.05016	14.2
71.67999	9.7
79.05479	36.1
81.07059	92.7
83.04963	11.4
83.08627	16.0
84.04507	13.2
84.08121	12.1
91.05473	32.0
93.07042	83.3
95.04968	37.1
95.08589	58.0
97.02892	12.9
98.21477	20.2
100.07594	12.6
100.11281	12.7
105.07021	48.1
107.08599	43.2
109.06538	22.4
109.10165	54.6
111.04446	21.7
111.08097	14.7
119.08575	43.5
121.10125	31.7
123.08071	14.9
123.11722	34.2
125.06051	9.6
129.07039	13.5
131.08572	29.7
133.10114	39.5
135.07986	15.8
135.11734	13.7
137.06004	29.4
137.09599	27.5
138.05470	16.5
143.08525	18.5
145.10117	19.8
147.11700	26.6
149.09593	24.0
151.11154	18.3
157.10121	16.9
159.11664	21.2
161.13239	15.2
163.11185	15.6
171.11723	16.2
173.13147	15.1
175.07581	11.1
185.13399	10.7
189.07040	13.8
205.06474	17.8
206.07274	14.6
210.14847	20.7
223.07590	12.1
227.14268	10.7
234.06802	35.3
249.09052	17.3
251.07051	17.8
255.21185	12.9
262.06091	22.8
276.08038	14.0
277.08594	50.1
279.06354	12.5
281.11685	16.3
283.20569	31.6
290.05804	21.1
294.08755	21.7
301.21768	15.5
305.08072	41.7
309.10910	17.6
319.09534	12.7
319.22607	12.7
322.08264	14.7
322.14642	9.7
331.76526	9.6
337.10583	100.0
337.23517	12.7
338.10925	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	337.237
Annotation	(E,E,E,E)-1,5,15-Trihydroxy-2,6,10,13-phytatetraen-12-one
Peak:m/z	Relative Intensity
53.03934	2.6
53.27775	1.7
55.05503	15.3
57.03425	2.4
57.07050	2.7
57.71585	1.8
67.05499	18.4
69.03400	6.7
69.07054	9.6
70.24697	6.3
71.04996	1.9
73.02914	2.1
79.05139	2.0
79.05494	26.2
81.03400	3.1
81.07050	77.4
81.07523	4.5
83.04976	4.4
83.08604	7.2
84.04500	4.2
85.02857	2.2
85.06541	2.7
87.04470	2.7
91.05474	21.2
93.07039	50.4
95.04957	9.3
95.08601	41.0
97.06523	2.4
97.10157	3.4
99.04451	2.2
105.07033	24.7
107.04921	2.5
107.08588	24.0
109.06525	9.7
109.10156	23.3
111.04432	8.0
111.08070	6.9
117.07000	4.7
119.04933	2.0
119.08580	19.6
121.06512	3.8
121.10142	21.9
123.08099	9.0
123.11687	17.2
126.05508	3.4
129.06998	3.8
131.08530	13.4
133.06456	3.0
133.10107	15.4
135.08038	11.2
135.11697	10.1
136.35428	1.8
137.05933	11.5
137.09569	3.6
138.06781	2.3
139.05797	2.4
143.08577	6.6
145.10135	14.9
146.07127	1.9
147.08086	3.4
147.11646	8.2
149.09651	14.2
149.13237	5.4
151.07515	18.2
151.11163	20.1
156.09442	1.9
157.10045	9.8
158.10905	3.4
159.07997	2.9
159.11707	13.6
161.09608	8.9
161.13252	6.8
163.07536	4.0
163.11153	8.5
165.09178	3.1
165.12785	2.2
169.10155	2.1
171.11717	5.4
173.09633	5.7
173.13274	8.0
175.11148	5.7
175.14861	4.9
177.09134	4.9
177.12679	10.2
185.09668	2.6
185.13284	5.4
187.11180	5.6
187.14841	8.2
189.12714	10.8
189.16379	3.1
191.10640	5.8
191.14325	12.8
193.12253	3.1
193.15921	1.8
197.13164	2.4
199.14738	2.2
201.12703	4.3
203.14304	8.8
203.16170	2.1
205.12299	4.3
205.15895	9.4
207.13799	2.4
209.13318	3.1
211.14793	2.1
213.12714	3.0
213.16400	3.3
215.14343	10.9
217.15910	4.1
219.13777	8.4
220.14526	15.6
221.15337	4.1
227.14253	4.4
231.13919	2.7
231.17279	3.1
233.15356	53.9
245.15327	5.8
245.18947	2.8
245.22786	2.2
255.21075	4.7
259.20667	10.9
271.00131	1.9
273.22083	12.0
277.18082	2.7
283.20621	17.1
301.21600	28.3
319.22644	100.0
320.22592	5.9
337.10745	3.7
337.23730	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	337.237
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
53.03949	4.6
55.01862	3.8
55.05514	15.6
57.03431	6.0
57.07062	3.1
65.03942	2.1
67.05506	23.2
69.03423	7.4
69.07063	11.1
70.20444	9.3
73.02911	6.8
74.03262	3.3
79.05494	26.0
81.03422	2.5
81.07057	82.2
82.03766	2.2
83.04990	6.5
83.08611	7.2
84.04493	17.7
85.02895	4.4
85.04835	7.0
85.06551	3.1
86.90450	1.8
91.05476	21.3
93.07040	53.0
95.04964	8.5
95.08606	35.4
96.04504	3.0
97.06554	3.5
97.10178	2.5
99.04453	2.1
103.05441	2.1
105.07021	22.1
105.69884	1.8
107.04918	3.3
107.08585	22.1
109.06515	8.6
109.10162	22.8
111.04445	6.3
111.08057	4.5
115.05436	4.4
117.07039	4.9
119.04964	2.0
119.08575	21.7
121.06523	4.6
121.10146	25.7
123.08081	9.0
123.11695	17.8
125.06030	2.2
126.05519	14.8
127.05863	8.8
129.06987	3.9
131.08571	14.6
133.06496	1.9
133.10104	15.1
135.08044	10.4
135.11713	5.5
137.05994	7.7
137.09583	4.0
138.05479	9.7
139.05850	10.4
139.58907	1.8
143.08559	6.3
145.06570	3.1
145.10126	13.7
147.08064	4.9
147.11713	7.5
149.09628	14.0
149.13258	3.8
151.07533	17.0
151.11186	15.1
157.10136	5.9
159.08064	4.7
159.11681	10.5
161.09657	5.4
161.13266	7.9
163.07521	3.9
163.11208	5.3
165.09210	3.0
169.06805	2.4
171.08125	2.1
171.11725	7.3
173.09695	4.8
173.13272	7.8
175.11201	7.4
175.14810	3.3
177.05443	3.9
177.09178	3.3
177.12730	9.0
179.10713	3.2
183.11743	3.2
185.09526	2.7
185.13208	3.3
186.07649	2.5
187.07939	2.3
187.11212	4.9
187.14830	6.3
189.12761	9.7
191.10690	7.1
191.14281	11.4
195.11653	2.6
199.14818	6.1
201.12798	3.2
203.14235	9.2
204.08736	4.3
205.09024	6.3
205.12213	6.0
205.15863	4.1
207.13795	2.4
209.13174	2.3
213.12740	4.0
215.14310	10.1
217.12311	2.2
217.15898	4.6
219.13832	6.7
220.14604	11.3
221.15326	3.7
233.15349	48.8
241.19348	2.4
245.15421	3.5
245.19136	2.1
255.21097	5.4
259.20590	11.0
265.19489	2.6
273.14935	2.5
273.22141	9.3
283.20593	15.4
301.14270	6.1
301.21619	29.2
307.88763	2.4
319.22656	100.0
320.22968	4.1
337.23785	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1867
Annotation	Arphamenin B
Peak:m/z	Relative Intensity
52.16656	0.5
60.05658	3.0
65.03924	0.7
70.73534	0.7
70.73888	1.7
72.01292	0.6
72.08152	8.2
91.04897	0.9
91.05475	15.7
97.07645	1.0
98.06052	0.8
102.81987	0.5
104.51227	0.6
114.10287	18.2
115.08672	4.6
119.04940	31.7
131.12921	5.7
145.02805	0.8
147.04404	30.1
149.02374	0.7
157.03973	2.1
157.10820	2.4
165.82654	0.5
175.03903	59.3
176.04265	1.1
179.07010	2.2
192.04143	0.6
203.82228	0.7
207.06520	100.0
208.06841	1.8
221.64537	0.6
277.15436	2.0
278.13840	3.4
303.13443	0.7
320.16071	10.2
337.18680	81.4
338.18967	3.0
347.33673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1868
Annotation	Arphamenin B
Peak:m/z	Relative Intensity
54.32383	0.7
60.05644	6.7
62.69197	0.5
70.06593	0.7
70.98264	1.1
72.08156	17.6
89.10787	0.7
91.05477	26.4
97.07650	2.3
98.06058	1.1
99.99308	0.6
103.05470	1.1
113.38347	0.5
114.10288	22.1
115.08679	3.2
119.04939	44.0
120.05276	0.9
126.71872	0.5
129.03395	0.7
131.04910	0.7
131.12924	10.3
131.13820	0.4
132.02060	1.2
147.04408	37.2
148.04674	0.6
149.02298	0.9
152.41702	0.6
157.03964	2.9
157.10834	1.9
159.13441	0.6
164.04555	0.9
175.03902	70.1
176.04362	1.1
179.07040	2.3
192.04150	0.8
207.06520	100.0
208.06921	2.2
233.02019	0.6
241.34273	0.7
265.40625	0.5
277.15503	1.8
278.13858	2.6
295.16531	2.4
303.13663	0.8
320.16049	10.0
337.18671	87.5
338.18857	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	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
69.39902	22.5
69.40329	12.4
73.95908	4.2
78.67525	3.2
83.82497	3.9
90.75776	3.8
91.99604	3.5
98.20789	8.2
140.40179	4.3
145.89798	4.0
147.88977	3.3
160.65477	3.6
337.08896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22243	10.3
71.22609	7.7
84.83872	5.8
86.24593	6.1
90.64352	6.5
110.64394	6.7
171.13463	7.7
337.08890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32272	9.7
70.06586	15.7
70.29054	22.2
119.01918	24.9
121.01691	10.8
131.01775	10.3
133.03462	11.0
145.03453	26.3
148.56514	8.9
173.02992	24.1
215.18295	10.7
217.02043	21.0
235.02890	13.0
254.22353	9.1
295.08585	10.0
330.11240	10.8
337.08698	100.0
337.17267	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	336.1911
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
53.48862	1.4
59.97980	1.4
69.03408	1.4
70.06599	3.0
71.58302	2.2
72.08134	1.8
75.05592	1.2
79.05492	1.8
84.04494	3.5
84.08123	2.6
86.09703	100.0
93.07051	2.9
103.05453	4.1
105.06989	1.6
120.08101	74.7
126.05532	1.9
136.06190	6.5
137.02368	6.7
138.05479	2.1
141.87679	1.3
143.11790	79.1
166.08641	28.6
171.11287	12.5
177.10265	7.1
209.05724	1.2
262.14270	1.6
318.03156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1665
Annotation	Isopentenyladenosine
Peak:m/z	Relative Intensity
55.01880	0.9
57.03438	1.6
57.29530	0.5
61.02920	0.9
67.05490	0.8
69.03423	1.1
69.07068	7.1
70.06583	0.7
70.68217	0.5
71.01355	1.0
71.58073	0.7
73.02923	3.0
79.05492	0.7
81.07076	1.1
84.04509	4.9
84.08139	0.7
85.02906	2.0
91.05463	1.8
95.04942	0.7
95.08630	0.6
96.04498	0.6
96.08175	0.6
97.02917	0.9
105.07006	1.0
107.08585	0.8
115.03899	0.9
119.03556	1.0
119.08551	0.6
119.41874	0.5
121.02869	0.6
121.10155	0.8
126.05526	4.1
136.06190	100.0
137.04597	1.3
138.05548	2.6
148.06186	35.1
164.11800	0.6
168.06548	1.1
176.14311	0.6
186.07574	1.1
204.12453	71.6
205.12784	1.2
207.64540	0.6
233.15363	0.9
266.03012	0.6
336.16660	20.7
336.20956	1.1
337.10785	0.8
337.16104	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03928	5.1
53.17790	1.3
55.05514	25.1
57.03439	26.4
57.07048	3.0
63.43585	1.4
65.03919	4.5
67.05504	100.0
69.07066	23.2
69.94167	7.1
71.04962	2.1
72.04529	1.6
79.05493	55.5
79.75861	1.5
81.07057	76.3
81.78280	1.6
83.04952	3.2
83.08627	7.0
85.06577	2.5
89.50491	1.4
91.05479	23.9
93.06481	2.9
93.07042	51.4
95.04956	5.9
95.08604	62.6
97.06522	2.7
97.10178	2.9
98.20880	1.8
99.08064	3.2
105.07030	15.1
107.08587	24.0
109.06472	3.5
109.10158	21.3
114.96938	1.4
117.07001	4.8
119.08593	9.4
121.10137	16.4
121.11762	1.5
123.08000	1.8
123.11715	6.2
123.64574	1.4
131.08549	7.4
133.10100	5.7
135.11703	8.6
145.10089	4.5
146.10306	1.2
147.11673	3.3
148.31841	1.3
149.13239	3.3
159.11736	3.4
161.13229	3.1
163.14772	1.6
165.12668	2.7
166.13028	2.0
172.51677	1.6
173.13315	2.5
175.14836	2.0
221.17198	1.6
262.42087	1.6
335.25745	64.4
336.26151	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	4.5
55.01864	2.2
55.05511	20.3
57.03434	29.2
57.07064	6.8
63.34445	1.3
65.03928	2.6
67.05503	100.0
69.03413	1.7
69.07058	14.9
69.50993	10.0
71.04967	2.1
73.02893	4.4
79.05493	60.9
81.03421	3.0
81.07056	94.5
83.04959	2.8
83.08624	9.1
84.04504	8.9
85.06527	2.3
91.05481	33.3
93.07044	64.1
95.04967	9.4
95.08606	86.4
96.04515	1.5
97.06545	2.7
97.10178	4.8
98.20787	3.0
99.08086	1.9
105.07034	18.9
107.08595	36.0
109.06533	2.2
109.10152	30.6
113.34681	1.2
117.07010	10.2
119.08587	19.5
121.10141	26.3
123.11701	14.6
126.05515	10.1
127.07518	1.7
129.05444	3.3
130.07701	1.3
131.08574	19.2
133.10107	15.1
135.11679	22.0
137.09663	2.1
137.13248	4.1
138.05455	6.5
144.50836	1.2
145.10118	12.8
147.11723	6.2
149.13249	11.1
151.14832	2.0
159.11688	7.6
161.13260	7.8
163.14789	6.9
168.06537	2.2
173.13263	10.1
175.14806	3.9
177.16370	3.7
187.14836	5.6
191.14200	1.6
201.16330	2.2
204.08730	3.8
217.19499	1.8
219.20961	1.5
233.22676	2.2
243.21069	16.9
245.22768	1.3
261.22141	15.3
279.23145	1.9
291.23309	1.7
310.78757	1.4
317.24982	7.9
335.22159	3.0
335.25797	69.4
336.26230	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03927	4.8
55.01859	1.8
55.05272	1.7
55.05515	24.0
57.03439	30.3
57.07072	2.9
64.29971	1.1
65.03925	4.9
67.05505	100.0
68.05817	1.4
69.06735	2.2
69.07071	24.6
69.49574	9.1
71.04986	1.9
79.05492	55.0
80.29896	1.2
81.03484	1.7
81.07053	88.8
83.04964	2.2
83.08624	9.6
83.90813	1.2
85.06516	2.2
89.06030	1.5
91.05488	22.6
93.07043	59.1
94.21574	1.3
95.04961	9.1
95.08605	69.8
97.06511	3.4
97.10161	4.1
99.73250	1.3
105.07027	17.1
107.08591	28.4
109.06516	1.8
109.10159	26.8
111.08104	1.6
115.11424	1.4
117.07047	7.4
117.07742	1.2
119.08575	10.5
121.10149	22.5
123.08051	2.6
123.11713	9.9
131.08565	9.9
133.10141	8.9
135.11674	15.4
137.09637	2.0
137.13260	2.6
145.10121	6.2
147.11690	6.1
149.13272	7.7
159.11679	5.2
161.13243	4.5
163.14784	2.7
172.41310	1.3
173.13278	4.6
175.14862	2.4
187.14738	2.7
201.16393	1.4
215.17867	1.4
243.21097	4.0
261.22110	9.0
279.23288	1.3
317.24707	3.1
335.25787	74.5
336.26178	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.01867	2.0
55.05509	8.9
57.03436	9.1
57.07075	2.3
61.02919	2.4
65.03924	1.2
65.27715	1.2
66.53767	1.0
67.05502	27.9
69.03428	2.6
69.07063	5.6
69.33266	11.2
73.02916	15.8
79.05495	20.8
81.03402	2.2
81.06584	2.2
81.07053	34.1
83.01359	1.4
83.08600	3.9
84.04501	29.4
84.05270	1.2
85.02898	1.8
86.52901	1.1
91.05477	11.2
93.07040	23.3
94.08184	1.1
95.04987	2.0
95.08604	27.2
96.04495	3.0
97.02880	2.6
97.06504	1.6
97.10138	1.2
98.06056	1.6
99.08074	1.2
105.07030	10.1
107.08604	11.7
109.02858	2.3
109.06499	1.8
109.10151	12.0
110.02399	1.6
115.03920	2.3
117.07025	2.7
119.08560	7.7
119.09352	1.1
121.10135	11.2
123.08043	2.1
123.11715	4.5
124.12684	1.1
126.05512	33.3
129.05421	1.2
131.08588	7.0
133.10126	6.7
135.08047	2.0
135.11650	6.2
137.09602	1.2
137.13228	1.6
138.05492	22.0
144.06538	3.4
145.06503	1.2
145.10117	5.8
147.11650	5.1
149.13277	3.2
155.06975	1.1
155.08662	1.4
157.10066	1.2
159.11681	4.8
161.13258	3.2
163.14763	2.1
168.06586	7.3
173.09627	1.9
173.13252	3.3
175.14757	1.1
186.07632	4.1
189.12741	2.1
191.14333	1.2
201.16254	1.2
204.08699	15.8
235.13289	1.7
240.05022	2.0
243.14519	1.2
243.21048	5.7
243.25127	1.4
252.04980	1.9
261.22113	4.0
317.24643	2.7
335.21875	100.0
335.25772	18.2
335.29971	4.1
336.22205	4.9
344.23734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72189	1.0
53.03949	2.2
55.01859	1.7
55.05513	8.0
56.05048	1.8
57.03438	9.4
57.07075	1.9
61.02933	2.5
65.03926	2.2
67.05505	34.1
69.03432	2.6
69.07083	6.5
69.32495	7.3
69.32906	3.7
71.04979	1.4
71.08602	1.7
73.02921	14.6
74.01792	1.1
79.05496	21.4
81.03429	1.3
81.07059	36.5
83.08630	2.8
84.04502	23.4
85.02904	1.6
91.05482	11.3
93.07042	21.9
95.04976	2.0
95.08607	25.1
95.09178	2.2
96.04491	2.6
97.02887	1.4
97.06535	1.6
98.06045	2.0
98.20785	2.4
105.07023	7.6
107.08587	12.3
109.02879	1.6
109.06540	1.7
109.10168	9.1
115.03886	2.3
117.07058	2.9
119.08562	6.8
121.10146	12.0
122.02432	1.4
123.11707	3.3
126.05518	27.1
129.05518	2.4
131.08565	6.9
133.10109	5.9
135.08153	1.2
135.11650	6.6
137.13228	1.6
138.05504	20.5
143.08611	1.8
143.69023	1.2
144.06589	4.7
145.10185	6.3
147.11691	4.3
149.09595	2.6
149.13261	3.3
151.07407	1.4
157.10164	2.5
159.11714	5.2
161.13251	4.3
163.11247	2.3
163.14833	3.2
168.06587	4.9
171.11783	1.8
173.13295	3.4
175.11162	1.7
175.14766	1.0
177.16383	1.3
186.07614	3.2
187.14854	1.3
189.12791	2.7
204.08688	14.0
219.17493	1.8
233.22873	1.5
240.05180	1.6
241.46059	1.3
243.21123	7.2
252.05112	1.8
261.22107	5.7
299.20200	1.6
317.24609	1.9
335.21933	100.0
335.25812	20.1
335.29968	5.0
336.22263	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	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.05516	8.2
57.03437	7.3
62.95842	0.9
64.95059	1.0
65.82738	0.9
67.05505	27.9
69.07059	6.4
69.47558	7.8
71.04987	1.8
73.02902	2.3
79.05496	14.7
81.07056	26.5
83.04961	1.1
83.08615	4.0
84.04499	3.6
86.17395	0.9
91.05486	8.1
93.07051	16.6
95.04977	2.8
95.08605	21.4
96.04512	1.0
97.06540	1.7
97.10162	2.0
98.20776	1.5
100.06110	0.9
105.07024	7.4
107.08591	7.4
109.06510	1.0
109.10159	7.1
117.06995	1.5
119.08558	3.1
121.10152	7.1
123.11697	3.1
126.05519	2.9
131.08560	3.0
133.10106	4.0
135.11694	5.1
138.05515	2.3
145.10129	2.2
147.11690	3.4
149.13271	2.6
159.11761	1.6
163.14902	2.7
173.13248	1.5
191.72688	0.9
204.08640	1.3
243.14603	1.2
243.21303	0.9
261.22198	2.2
311.26331	1.0
335.21936	100.0
335.25797	21.4
336.22324	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	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72189	1.0
53.03949	2.2
55.01859	1.7
55.05513	8.0
56.05048	1.8
57.03438	9.4
57.07075	1.9
61.02933	2.5
65.03926	2.2
67.05505	34.1
69.03432	2.6
69.07083	6.5
69.32495	7.3
69.32906	3.7
71.04979	1.4
71.08602	1.7
73.02921	14.6
74.01792	1.1
79.05496	21.4
81.03429	1.3
81.07059	36.5
83.08630	2.8
84.04502	23.4
85.02904	1.6
91.05482	11.3
93.07042	21.9
95.04976	2.0
95.08607	25.1
95.09178	2.2
96.04491	2.6
97.02887	1.4
97.06535	1.6
98.06045	2.0
98.20785	2.4
105.07023	7.6
107.08587	12.3
109.02879	1.6
109.06540	1.7
109.10168	9.1
115.03886	2.3
117.07058	2.9
119.08562	6.8
121.10146	12.0
122.02432	1.4
123.11707	3.3
126.05518	27.1
129.05518	2.4
131.08565	6.9
133.10109	5.9
135.08153	1.2
135.11650	6.6
137.13228	1.6
138.05504	20.5
143.08611	1.8
143.69023	1.2
144.06589	4.7
145.10185	6.3
147.11691	4.3
149.09595	2.6
149.13261	3.3
151.07407	1.4
157.10164	2.5
159.11714	5.2
161.13251	4.3
163.11247	2.3
163.14833	3.2
168.06587	4.9
171.11783	1.8
173.13295	3.4
175.11162	1.7
175.14766	1.0
177.16383	1.3
186.07614	3.2
187.14854	1.3
189.12791	2.7
204.08688	14.0
219.17493	1.8
233.22873	1.5
240.05180	1.6
241.46059	1.3
243.21123	7.2
252.05112	1.8
261.22107	5.7
299.20200	1.6
317.24609	1.9
335.21933	100.0
335.25812	20.1
335.29968	5.0
336.22263	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12418	0.6
53.16771	0.9
55.05495	2.1
57.03425	2.8
57.07064	0.7
61.02917	0.9
62.17234	0.7
67.05502	6.5
69.07048	2.1
71.58401	0.7
72.04501	1.4
73.02921	5.5
79.05475	5.0
81.07059	8.2
83.08596	1.0
84.04511	11.1
88.03037	0.9
91.05463	3.8
93.07049	5.3
94.88626	0.9
95.04971	1.4
95.08605	6.1
96.04495	1.4
98.06071	1.0
105.07007	3.6
107.08575	2.1
107.53671	0.8
109.06512	1.6
109.10146	2.1
117.06993	1.4
119.08575	2.9
121.10126	2.5
123.11729	1.1
126.05504	13.3
131.08569	1.4
133.10118	2.1
135.11681	1.4
138.05516	7.5
144.06580	2.1
145.10110	1.8
147.11705	1.2
149.09581	0.8
159.11697	1.0
165.12747	1.7
166.13057	1.7
168.06566	1.8
173.13400	1.0
180.31168	0.8
186.07590	1.3
203.24034	0.8
204.08641	6.6
221.11491	1.8
235.21231	0.8
243.21103	1.0
305.16595	0.8
335.21915	100.0
336.22217	4.8
345.10043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48830	1.3
50.52332	1.2
53.03939	2.9
55.05510	28.3
57.03435	26.3
57.07058	2.1
65.03942	4.1
67.05504	90.2
69.07063	18.4
69.69681	8.4
71.04972	1.4
73.02896	1.8
75.92468	1.2
79.05488	45.7
81.03386	1.9
81.07054	75.4
82.07387	1.6
83.04964	1.9
83.08616	8.5
84.04473	3.5
91.05475	21.2
93.07037	46.0
95.04947	6.5
95.08603	57.7
97.06515	3.0
97.10133	2.1
105.04523	2.1
105.07022	12.6
107.08585	20.5
109.06519	2.9
109.10155	18.3
116.01344	1.4
117.07024	4.7
119.08586	11.2
121.10152	18.0
123.08086	1.5
123.11697	5.6
126.05514	4.3
126.15965	1.4
131.08568	5.8
133.10101	6.6
135.11694	9.9
137.13242	1.9
138.05443	3.1
145.10147	4.0
147.11659	3.3
149.09509	1.7
149.13274	5.3
157.82893	1.4
159.11673	2.7
161.13283	1.8
173.13278	3.5
197.66077	1.4
335.21887	100.0
335.25827	54.2
336.22113	3.3
336.25864	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	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58117	0.3
55.05504	0.8
56.04788	0.4
56.05036	5.4
57.07076	4.9
58.06601	7.4
60.04528	1.9
67.05493	0.8
68.05013	0.4
69.07052	0.5
70.06577	1.1
71.08637	2.3
72.08150	2.7
74.06081	4.6
75.04492	0.4
79.05499	0.5
81.07059	0.8
85.10175	0.7
86.06070	4.9
88.07631	38.3
89.05992	0.7
89.07964	0.4
91.05484	0.5
93.07041	0.4
94.40305	0.3
95.08594	0.4
97.82982	0.3
100.07578	1.7
102.09183	0.6
104.07101	4.0
105.07038	0.4
114.33490	0.3
118.08637	1.1
119.08598	0.3
124.78164	0.3
132.10202	9.2
162.11250	2.8
166.10760	2.9
210.22157	0.8
226.25261	0.4
228.23274	0.5
229.35411	0.3
237.93988	0.3
242.24783	31.7
243.25154	0.7
246.24324	0.4
254.24718	0.8
286.24380	0.7
286.27399	9.3
287.27740	0.5
306.81699	0.3
316.28525	1.7
334.29501	100.0
335.25934	0.6
335.29807	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	334.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62828	16.1
55.05496	27.4
59.70559	15.9
66.92370	19.5
67.05492	59.7
69.89781	100.0
79.05462	42.5
81.07044	51.4
93.07051	46.0
95.04947	22.7
95.08604	33.5
105.07018	35.1
107.08555	31.5
119.08603	48.6
121.10137	20.0
133.10120	54.9
135.38818	19.9
143.08516	27.3
146.10651	18.5
147.11578	21.6
158.66682	21.1
164.53574	18.7
165.12726	24.6
238.44249	17.2
244.85455	19.3
335.25647	29.8
352.99762	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	334.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
62.37793	0.2
67.05493	0.4
69.07056	0.3
76.01048	0.2
76.76032	0.2
79.05486	0.4
81.03425	0.3
81.07033	0.8
83.36270	0.2
84.08145	0.2
91.05470	0.7
93.07018	0.4
95.04958	0.3
95.08594	0.3
105.07002	0.5
106.06541	1.6
107.07339	0.3
107.08604	0.3
114.77806	0.2
117.05748	0.8
118.06535	4.4
119.07355	0.3
119.08629	0.3
120.08086	0.5
130.06502	0.7
131.07291	1.9
131.08339	0.4
132.08063	2.4
132.08908	0.3
133.08858	0.4
134.09641	0.7
134.31451	0.3
136.06180	0.4
144.08069	0.6
145.08905	0.3
146.09633	4.6
147.04341	0.2
148.11186	0.3
160.11209	2.9
162.09129	7.6
162.12733	0.2
163.09822	0.2
172.11206	0.9
174.09146	0.2
174.12732	0.7
176.10695	4.9
176.51733	0.3
177.11438	0.8
183.41853	0.2
188.14418	0.3
190.12262	13.6
191.12581	0.5
202.15729	0.3
204.13861	1.7
218.11501	0.3
218.15416	0.7
232.16957	0.4
244.20583	2.4
246.18575	0.4
270.12082	0.2
272.20081	12.8
273.20419	0.5
274.04245	0.3
290.21072	1.3
316.12613	0.4
316.22607	0.6
319.04031	0.6
334.06296	1.0
334.23734	100.0
335.24023	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	334.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05504	6.4
60.05643	5.6
70.06588	8.1
71.32690	2.5
72.08154	32.3
84.04527	1.4
84.08141	1.7
86.07184	4.1
86.09702	1.6
87.07964	4.7
91.05482	2.9
97.07648	9.2
98.06046	12.0
100.08730	1.2
102.05559	1.4
103.05476	6.0
107.04951	2.9
107.95726	1.1
110.07164	1.0
112.08724	1.7
114.10291	30.3
115.08665	6.7
119.04950	2.1
128.98601	1.1
129.10298	1.4
129.11177	1.1
130.06511	7.3
131.04922	13.9
131.12943	11.4
133.06482	5.9
134.06059	1.2
135.04410	1.0
136.07591	2.6
136.40825	1.0
140.08220	2.4
146.03604	3.9
146.05991	1.0
147.04404	17.1
148.07584	2.8
149.55014	1.1
153.10207	3.3
157.10844	11.9
158.05997	16.6
159.04419	3.3
160.07510	1.3
161.05995	2.7
162.05487	11.4
162.99126	1.2
163.03920	1.9
171.05527	1.2
176.07085	2.7
177.00583	1.5
177.05461	1.3
178.08655	1.5
186.05492	55.6
187.03918	2.5
190.10463	1.4
204.06523	5.8
212.15085	2.4
217.13409	1.3
218.11667	2.0
256.14386	5.4
257.12830	12.5
258.12424	4.3
260.14050	2.4
262.67276	1.1
274.15552	4.3
275.13748	6.8
276.15756	3.8
277.16571	18.5
292.16263	1.1
293.16000	1.9
294.16806	6.4
299.14871	6.6
300.13708	1.3
316.17703	15.8
317.16193	5.1
322.10269	1.0
334.18726	100.0
335.19098	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.02985	1.3
55.05514	5.9
60.04513	1.1
60.05654	6.0
69.63772	5.3
69.64206	3.6
70.06591	14.0
72.08157	34.3
74.70321	1.2
79.05469	1.6
84.04494	3.0
84.08140	3.1
85.02884	1.2
86.07181	5.0
86.09710	5.0
87.07971	6.1
88.04006	1.2
91.05471	2.3
93.41950	1.2
95.06068	1.9
97.07666	10.0
98.06054	16.7
100.08689	1.4
103.05463	5.3
105.07044	1.3
107.04941	3.5
110.07127	1.3
112.08712	2.4
114.10292	32.4
115.08687	10.8
116.07066	1.4
119.04948	2.4
120.08101	2.4
122.06011	1.6
128.52573	1.3
129.10245	2.4
130.06517	7.8
130.12161	1.2
131.04955	7.9
131.12930	7.9
133.00363	1.1
133.06485	7.0
134.05978	1.3
136.07573	3.0
140.08211	2.8
144.08067	1.4
145.02841	1.4
146.03645	1.9
146.05984	4.3
147.04407	32.7
148.07574	4.0
149.58649	1.2
152.86951	1.2
153.09058	1.3
153.10225	3.0
153.98326	1.2
157.10837	16.0
157.13416	1.4
158.06007	20.6
158.11496	1.2
159.04378	6.5
159.06383	1.2
160.07594	1.5
161.06004	4.1
162.05475	10.6
163.03920	3.8
163.53494	1.1
163.86734	1.0
173.12813	1.9
176.07094	4.2
177.05475	2.0
178.04927	1.1
178.08643	1.4
186.05502	50.2
186.07176	2.5
188.07039	6.2
190.10660	1.4
204.06526	5.1
212.15164	1.6
216.10130	1.2
217.11363	1.1
217.13394	2.7
218.11766	4.2
256.14468	4.4
257.12866	6.5
258.12482	5.2
260.13943	4.6
274.15500	3.9
275.13867	9.0
276.15811	3.6
277.16592	32.5
278.16714	2.0
293.16180	3.0
294.16837	6.9
299.14941	4.3
316.17639	6.6
317.16064	5.7
334.18726	100.0
335.18811	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	334.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
55.05502	0.8
56.05020	1.0
59.47781	0.5
66.91702	0.6
69.24925	7.6
70.06590	5.4
70.06932	0.8
72.08156	3.1
73.72485	0.7
76.52536	0.6
76.98317	0.6
84.04503	24.7
84.08131	0.8
85.02832	0.8
86.09712	1.1
88.82242	0.6
91.05475	1.8
97.07613	0.8
98.06055	1.5
98.20715	1.2
102.05534	0.9
114.10293	2.2
115.05451	1.4
115.08694	0.8
116.07056	0.8
117.03336	0.6
117.05798	1.2
117.07034	1.5
118.06541	22.1
118.41644	0.6
120.08099	1.2
122.06080	0.8
129.06622	0.8
130.04993	5.4
130.06497	2.5
131.04898	1.2
132.08061	6.7
134.03629	0.7
141.10211	0.9
142.06538	2.1
143.07288	1.8
144.04390	0.7
144.08075	13.2
145.02808	1.6
146.06003	58.2
147.04408	2.5
157.10811	1.2
158.05980	1.3
159.09160	11.3
159.10374	1.1
160.07584	1.1
161.06012	1.3
162.05426	1.6
170.06009	5.6
177.05428	1.1
178.08632	0.7
186.05482	2.0
187.03789	0.7
188.07057	100.0
189.07381	0.9
201.10226	0.7
204.06395	1.3
205.09735	17.0
225.10210	9.6
229.09760	1.1
243.11450	0.8
257.09094	1.6
263.13895	0.9
271.10748	2.0
276.74606	0.8
317.11389	8.0
317.15796	1.2
334.14096	2.1
334.18665	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	334.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32456	0.8
55.01864	1.2
56.05013	0.9
56.96568	6.1
57.03423	2.2
60.04515	2.5
60.04815	0.7
69.03421	2.2
69.74646	5.1
70.02967	0.8
70.06583	2.4
71.04851	1.5
72.08159	6.1
73.02909	2.1
73.08476	0.9
74.02470	0.8
74.06067	1.2
79.14660	0.8
81.03412	1.5
81.07030	0.8
82.06570	1.3
84.04478	2.5
84.08142	3.3
84.96047	0.9
85.02908	3.7
86.03554	4.2
86.05976	0.9
86.09702	7.9
87.05581	2.2
87.10058	0.9
88.03983	1.2
88.99184	0.9
93.07069	0.9
94.07357	1.5
97.02885	2.0
98.03532	1.0
98.97567	2.0
100.07633	0.9
101.20320	0.7
108.08115	1.0
109.02857	0.8
109.06456	1.5
110.03477	0.9
110.06000	0.9
110.07198	1.0
111.03034	0.9
112.03844	1.0
112.06190	1.5
113.04626	9.5
116.98622	1.8
119.01852	0.8
119.04101	0.8
120.08165	1.5
121.08450	0.9
123.05547	1.9
123.64554	0.8
128.07033	1.1
128.98601	1.3
129.10226	1.5
130.05000	0.9
133.06046	1.6
134.99586	1.4
136.07558	1.2
137.05965	1.2
139.02554	0.9
140.05656	2.9
141.04086	3.6
141.06453	100.0
142.04860	1.5
142.07333	4.3
146.99663	2.3
152.05673	30.3
154.05026	1.1
154.07259	3.8
154.08502	2.0
158.06793	0.8
159.09103	0.8
165.00737	2.9
168.05179	5.5
169.05954	55.6
170.06732	6.9
172.06134	1.3
173.12794	2.4
175.02724	1.0
177.00652	1.0
180.05119	2.5
182.06625	1.0
184.04646	1.7
187.10909	1.1
188.22240	0.8
190.98660	4.0
193.00139	1.0
193.03911	1.5
198.06212	1.9
201.12300	1.0
202.05713	25.6
205.00270	1.4
208.99594	0.9
213.06938	2.6
219.01674	1.1
223.01289	2.0
226.12672	1.6
227.06532	2.7
232.06766	1.1
232.99742	1.9
251.00748	1.7
257.12146	1.0
273.10718	7.1
301.10159	13.9
311.06360	0.8
316.15900	2.9
318.35016	0.9
334.09924	2.5
334.14651	1.3
334.18759	1.0
343.68747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2422
Annotation	Dendrinolide
Peak:m/z	Relative Intensity
51.02378	1.3
53.03932	3.8
55.01649	0.8
55.01870	7.0
55.05269	1.0
55.05510	16.2
57.03437	33.2
57.07080	4.2
59.04984	1.0
59.40382	0.8
60.85233	0.8
65.03925	2.8
67.05503	53.8
69.03423	1.8
69.07063	19.7
71.04975	2.3
71.08632	0.9
71.59197	1.5
72.08148	0.9
73.02905	2.8
74.06078	0.8
75.04489	1.3
77.00922	1.2
77.03923	1.0
79.05489	57.3
81.03415	5.8
81.07054	60.3
82.07357	0.9
83.04962	3.1
83.08611	8.2
85.06546	2.4
88.07624	3.7
91.05477	57.9
93.07041	72.3
94.07339	0.9
95.04971	7.9
95.08602	43.7
97.06520	4.5
97.10165	3.0
98.98459	5.4
99.04442	1.5
99.08083	2.2
103.03941	3.6
103.05428	1.7
105.07027	74.3
106.07290	0.9
107.04951	1.6
107.08592	47.4
109.06503	2.3
109.10159	16.2
110.10489	0.9
111.08055	2.5
115.05457	2.3
117.07017	19.4
119.08574	57.4
120.08916	1.4
121.06455	1.6
121.10135	32.6
123.08085	2.6
123.11720	4.8
125.09624	1.1
128.06221	2.5
129.05484	14.8
129.06981	10.1
131.08559	28.5
132.10175	1.5
133.06496	1.1
133.10130	38.8
135.08022	2.7
135.11684	31.8
137.09618	2.2
137.13252	2.3
141.06911	1.0
142.07779	1.4
143.08542	9.6
144.09322	1.0
145.10115	26.9
147.08058	1.4
147.11684	29.9
148.12045	1.2
149.09615	2.6
149.13251	18.3
150.13548	0.9
151.11133	0.9
155.07043	6.4
155.08171	1.2
156.09306	0.9
157.10115	9.7
159.10443	1.6
159.11687	22.3
160.12093	0.9
161.09641	1.4
161.13249	27.6
163.11226	1.6
163.14830	9.2
169.08630	1.1
169.10016	1.5
171.10237	1.6
171.11674	13.9
173.13266	17.4
175.11186	1.9
175.14824	13.3
177.12753	1.7
177.16353	1.5
183.10158	2.1
183.11678	1.0
185.11644	0.8
185.13258	13.4
187.14839	4.5
189.12727	2.3
189.16365	1.6
191.14215	1.5
195.11691	0.8
197.13322	1.1
199.14792	8.1
200.95044	0.8
201.16379	1.2
203.14273	1.8
213.16423	3.1
215.17944	9.6
217.15793	1.3
217.19501	8.8
221.15366	1.4
231.21082	4.7
231.23026	0.8
235.16856	1.0
241.19508	54.0
242.19777	2.8
242.24818	4.1
243.14325	0.9
243.21111	4.4
253.12776	1.3
257.18915	0.8
259.20584	26.1
271.13876	1.1
275.20053	3.3
277.21655	4.8
289.21774	1.4
297.22235	0.9
315.19730	1.0
315.23181	4.9
333.20395	10.8
333.24182	100.0
334.24777	5.8
334.29489	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	333.2421
Annotation	Dendrinolide
Peak:m/z	Relative Intensity
53.03939	5.4
53.60099	2.0
55.01864	8.6
55.05509	23.0
56.20527	1.6
57.03436	39.6
57.07075	3.4
65.03931	2.3
67.05502	53.9
69.07061	21.8
69.58846	4.4
69.59254	12.4
73.02917	3.6
79.05492	64.2
80.94859	2.1
81.03410	3.8
81.07052	52.6
82.28894	2.0
83.04982	4.1
83.08604	9.6
85.02887	2.4
85.06522	2.5
91.05477	69.5
93.07039	67.7
95.04951	9.4
95.08603	38.1
97.06537	4.5
97.10143	2.8
98.20758	3.6
98.98454	7.8
101.05968	1.9
103.03985	2.4
103.05460	2.4
103.24280	1.9
105.07030	100.0
107.08591	44.4
109.06477	4.2
109.10163	17.5
111.08050	3.4
115.05458	2.7
117.07018	27.1
119.08582	73.3
120.08907	2.8
121.06494	2.6
121.10135	32.8
123.08070	4.0
123.11687	4.6
123.50927	2.2
125.09613	2.9
128.06187	3.6
129.05482	19.1
129.06976	10.5
131.08571	24.5
133.06494	2.8
133.10132	48.4
135.08040	3.5
135.11684	24.2
141.06947	2.2
143.08554	14.3
145.10123	26.1
147.08026	2.4
147.11678	31.6
149.09622	5.6
149.13269	12.9
151.11162	2.4
155.06992	3.1
157.10103	9.9
159.11703	23.9
161.09579	2.3
161.13261	19.9
163.14847	3.8
169.10107	2.6
171.11676	17.5
173.13274	14.1
175.11212	2.1
175.14845	8.7
185.13231	13.3
187.14761	3.1
189.12715	3.0
199.14880	9.5
203.49724	1.9
213.16440	2.6
215.17943	5.6
217.19505	9.4
220.26567	1.8
231.21143	3.5
241.19516	31.1
243.20879	2.1
259.20581	20.8
269.18967	2.0
277.21600	4.1
291.19180	1.9
315.23096	6.0
331.67975	1.8
333.13416	9.3
333.24216	80.6
334.24475	4.9
342.07324	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.7
62.63607	0.7
66.09914	0.7
69.84417	5.1
79.05477	0.9
81.07043	0.8
93.07032	0.8
105.07021	2.1
159.11624	1.2
176.66747	0.7
221.11630	0.9
331.76660	0.8
333.20361	100.0
334.20810	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	0.9
70.72437	2.3
70.72779	1.1
93.07041	1.5
98.98444	1.4
101.50384	0.9
105.07004	2.4
119.08564	1.4
133.10162	1.8
220.30406	1.2
235.13118	1.4
251.12526	1.1
271.71671	0.9
315.22583	0.9
333.20337	100.0
334.20779	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00752	0.6
55.05497	1.4
57.03434	1.7
57.97243	0.6
65.03926	0.7
67.05492	2.9
69.07059	1.1
79.05486	4.2
81.07052	4.2
89.29407	0.7
91.05471	4.7
93.07035	4.6
95.04990	0.7
95.08600	2.8
98.21499	1.7
98.98418	1.6
105.07027	5.9
107.08605	2.1
109.10175	1.3
117.06997	1.8
119.08575	3.7
121.10116	0.9
129.05492	0.7
131.08548	1.5
133.10141	2.7
135.11658	1.4
143.08609	0.8
145.10086	1.5
147.11691	1.7
149.42264	0.6
157.10165	0.8
159.11700	1.7
161.13229	0.7
173.13252	0.7
181.75594	0.6
241.19562	1.1
243.14409	0.8
255.09749	0.7
259.20657	1.3
292.91858	0.8
333.20364	100.0
333.23978	5.3
334.20645	2.0
351.20184	0.9
359.34448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Japodagrone
Peak:m/z	Relative Intensity
50.80946	0.5
55.01833	0.7
55.05502	2.3
57.03434	3.5
57.07083	0.8
59.94638	0.5
61.02905	0.5
67.05506	5.5
67.26832	0.5
69.07059	1.7
69.41277	5.1
71.04988	0.8
79.05495	6.5
81.07048	5.3
83.08615	0.8
85.06557	0.6
88.07604	1.0
91.05470	7.9
91.82552	0.6
93.07037	8.8
95.04970	1.6
95.08606	5.6
97.02824	0.6
97.06540	0.7
98.98452	3.8
105.07024	11.4
107.08575	6.4
109.10162	1.9
117.07009	2.6
119.08590	7.4
121.10131	5.6
123.08050	0.8
123.11664	0.6
129.05460	0.7
129.07021	1.5
131.08556	4.5
133.06491	0.6
133.10132	5.3
135.08171	0.6
135.11702	3.5
143.08557	2.1
145.10127	4.2
147.08118	0.8
147.11679	3.5
149.13240	1.8
153.09076	0.6
154.20135	0.6
157.10034	3.2
159.11710	3.4
161.09724	1.6
161.13240	2.9
163.11174	0.9
163.14742	0.6
169.10187	1.1
171.11743	2.2
173.13261	2.1
175.14796	1.1
183.11606	0.7
185.13181	1.5
187.11205	0.9
187.14934	0.7
195.09987	1.6
199.14885	1.5
205.12170	1.1
211.14751	0.6
213.16316	1.3
217.19424	1.0
241.19522	4.2
255.17345	0.9
259.20654	1.9
273.18463	1.5
315.19833	1.2
315.23044	0.8
333.20386	100.0
333.24084	8.4
334.20212	3.1
334.29416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
57.03421	2.3
57.07072	1.0
63.87495	0.8
67.05494	4.9
67.28600	0.7
69.07063	1.7
70.06583	1.4
70.83598	1.6
70.83968	1.9
77.00897	1.0
77.28900	0.8
79.05471	4.5
81.07066	5.0
83.04980	1.3
91.05466	6.1
93.07032	6.1
95.04975	0.9
95.08599	2.6
97.02830	0.8
98.98451	6.2
103.84705	0.8
104.63096	0.9
105.07044	7.7
107.08606	2.8
109.10166	1.4
117.07005	3.0
119.08594	6.4
121.10136	2.9
127.41131	0.8
129.05460	1.0
129.07034	1.6
131.08548	2.7
133.10086	4.5
135.11691	1.7
143.08540	1.1
145.10112	1.3
147.11714	3.0
149.02359	1.0
149.13258	1.2
159.11696	3.2
161.13269	1.9
171.11801	1.1
173.13319	2.0
176.98969	1.3
185.13240	1.3
195.09976	1.9
199.14911	1.4
215.11293	1.4
241.19530	2.8
333.20389	100.0
334.20517	2.6
346.17227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23541	0.9
53.66066	0.7
55.05489	1.5
57.03424	1.1
60.90665	0.8
67.05499	2.1
67.94263	1.0
70.33105	3.1
79.05490	3.7
81.07056	2.8
86.31973	0.7
91.05470	4.1
92.40071	0.8
93.07058	4.4
95.04942	1.0
95.08625	1.4
98.98448	4.7
105.07027	4.3
107.08594	2.4
117.07024	1.5
119.08562	3.0
121.10149	1.3
129.06973	1.0
131.08595	2.4
133.10121	3.4
135.17390	0.8
145.10158	1.7
147.11708	2.0
149.13405	0.8
159.11684	1.3
171.11740	1.2
247.13148	4.5
257.12500	0.9
315.19342	9.9
333.20377	100.0
333.24066	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23923	0.7
53.03944	0.9
55.01868	1.2
55.05497	2.4
57.03441	4.1
67.05496	5.7
69.07048	1.9
71.03944	2.2
79.05489	8.8
81.03391	1.0
81.07057	8.1
83.08606	1.3
85.43586	0.8
88.07607	1.1
91.05482	9.2
93.07043	8.4
95.04958	1.2
95.08583	5.7
98.98470	5.2
103.32246	0.9
105.07037	10.3
107.08605	6.3
109.10120	1.7
117.07033	1.9
119.08589	9.1
121.10164	3.8
129.05484	1.8
129.06985	2.3
131.08560	5.1
133.10127	6.4
135.11717	3.2
137.09615	0.9
143.08560	1.8
145.10156	2.4
147.11655	4.4
149.13268	1.6
157.10184	1.5
159.11685	2.7
161.13243	3.8
171.11668	1.8
173.13258	3.2
175.14839	1.5
176.98958	1.2
185.13290	1.1
199.14888	1.0
215.17958	1.0
231.20959	1.0
241.19518	5.4
248.03166	0.9
259.20667	3.3
263.12689	1.0
263.38467	0.8
315.19266	1.4
333.20386	100.0
333.24203	11.0
334.20715	2.4
334.29492	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	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03947	2.3
53.20039	2.0
55.01868	5.1
55.05500	8.0
56.05024	2.3
56.96570	5.4
57.03422	9.9
57.07074	14.3
59.05004	13.8
60.04511	8.4
61.02932	11.3
61.73395	2.1
65.03960	2.4
67.05511	11.4
69.03429	30.9
69.07066	16.6
69.54439	2.2
70.06584	9.2
71.04975	8.0
71.57989	2.6
71.58391	3.1
72.08140	5.2
73.02906	3.5
75.87335	2.4
77.24901	2.5
79.05480	6.7
81.03406	14.5
81.07046	10.6
82.06579	2.2
83.01322	2.1
83.04967	3.0
83.08604	7.8
84.04488	3.4
84.08110	3.8
85.02908	84.6
85.06549	11.1
86.06063	3.8
86.09703	29.2
87.04459	5.6
87.10043	13.5
91.05482	7.0
93.07030	10.1
95.04959	5.3
95.08608	55.5
96.29971	2.3
97.02897	28.0
97.06516	5.8
98.97561	4.6
98.98472	20.1
99.04422	4.7
99.08088	18.7
100.98855	2.6
103.05453	2.1
105.03394	2.3
105.07023	6.7
107.04910	2.2
107.08594	11.9
109.02876	9.9
109.06499	11.2
109.10162	21.5
111.08090	11.4
112.07616	2.4
113.09644	53.8
116.98598	2.8
117.07012	2.4
119.04982	4.1
119.08592	3.8
120.08161	2.9
121.06508	4.3
123.04472	2.4
127.03919	16.8
127.11189	42.5
132.10226	2.6
133.10103	2.7
134.99689	2.7
135.11694	19.6
136.07516	3.0
137.02362	3.3
137.05978	9.1
137.13231	4.8
143.08530	2.9
145.04947	17.3
145.10068	2.5
147.04387	9.5
149.01285	2.1
151.03915	2.8
153.01778	3.2
153.12749	81.0
155.14311	6.7
161.01196	2.9
163.89235	2.5
164.07060	6.9
167.03421	4.2
167.07013	9.0
171.13800	33.1
173.12883	19.7
174.07669	13.7
174.13232	13.4
177.00626	2.5
177.12675	3.2
187.07526	2.3
201.12389	2.9
202.12660	3.0
213.14879	2.4
219.01639	2.5
229.04947	4.1
230.05714	7.2
237.02855	2.8
258.05206	9.1
259.06006	6.5
271.05939	2.8
273.04526	3.6
273.07483	23.2
285.03864	3.1
285.07489	2.2
287.09103	4.2
288.09845	3.4
289.14221	2.9
289.18948	4.5
301.11676	2.5
303.05002	14.6
304.05362	5.4
315.08820	5.0
315.13202	2.2
315.19775	3.1
318.07144	3.2
326.25824	2.5
333.06018	7.6
333.09647	100.0
333.13440	3.7
334.09833	7.9
346.67978	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.2
56.15555	1.1
56.96564	46.2
57.03416	1.9
57.07061	1.2
67.05487	2.9
69.07076	1.2
71.57421	1.1
71.57809	2.2
71.95262	7.0
74.06064	1.9
74.97600	3.3
79.05470	2.7
81.07049	3.5
84.96021	2.0
88.07625	3.3
91.05463	4.3
93.07034	3.3
95.08611	2.8
97.96799	1.4
98.98463	8.9
105.00159	1.3
105.07014	4.6
107.08601	3.0
109.10078	1.0
110.97583	5.0
115.97853	3.5
116.98505	1.5
119.08566	3.2
121.10135	1.9
123.01201	2.1
125.48135	1.1
128.98601	15.1
129.89096	1.1
131.00006	1.4
133.10109	2.0
133.98872	2.0
135.11737	1.4
137.02745	1.1
140.98430	2.4
141.02264	2.3
143.00079	2.0
146.99658	28.2
147.11673	1.8
155.03778	2.9
161.01215	5.2
161.13330	1.4
165.00723	5.8
167.00021	2.2
170.01205	1.7
171.03300	2.0
175.02750	1.4
179.02220	2.6
183.06926	1.1
187.02760	1.4
189.00569	2.2
189.04338	4.2
203.05888	1.5
213.07874	1.5
215.92921	1.2
227.09521	1.4
242.43198	1.3
258.93790	1.2
259.12228	2.6
263.09515	5.6
277.11041	1.5
281.10507	1.1
283.12198	1.6
285.29831	3.4
303.12720	3.1
313.14569	1.5
315.16284	53.4
316.16687	2.2
331.15854	3.4
333.17325	100.0
333.24045	4.2
333.32025	8.8
334.17609	3.5
351.14230	1.7
351.18442	24.5
356.18906	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	333.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.2
56.15555	1.1
56.96564	46.2
57.03416	1.9
57.07061	1.2
67.05487	2.9
69.07076	1.2
71.57421	1.1
71.57809	2.2
71.95262	7.0
74.06064	1.9
74.97600	3.3
79.05470	2.7
81.07049	3.5
84.96021	2.0
88.07625	3.3
91.05463	4.3
93.07034	3.3
95.08611	2.8
97.96799	1.4
98.98463	8.9
105.00159	1.3
105.07014	4.6
107.08601	3.0
109.10078	1.0
110.97583	5.0
115.97853	3.5
116.98505	1.5
119.08566	3.2
121.10135	1.9
123.01201	2.1
125.48135	1.1
128.98601	15.1
129.89096	1.1
131.00006	1.4
133.10109	2.0
133.98872	2.0
135.11737	1.4
137.02745	1.1
140.98430	2.4
141.02264	2.3
143.00079	2.0
146.99658	28.2
147.11673	1.8
155.03778	2.9
161.01215	5.2
161.13330	1.4
165.00723	5.8
167.00021	2.2
170.01205	1.7
171.03300	2.0
175.02750	1.4
179.02220	2.6
183.06926	1.1
187.02760	1.4
189.00569	2.2
189.04338	4.2
203.05888	1.5
213.07874	1.5
215.92921	1.2
227.09521	1.4
242.43198	1.3
258.93790	1.2
259.12228	2.6
263.09515	5.6
277.11041	1.5
281.10507	1.1
283.12198	1.6
285.29831	3.4
303.12720	3.1
313.14569	1.5
315.16284	53.4
316.16687	2.2
331.15854	3.4
333.17325	100.0
333.24045	4.2
333.32025	8.8
334.17609	3.5
351.14230	1.7
351.18442	24.5
356.18906	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	333.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41050	1.6
53.03933	5.9
55.01865	5.2
55.05508	4.4
56.05031	3.4
60.04534	2.2
67.05490	7.1
68.05012	5.0
69.03433	3.1
70.02949	4.7
70.46750	5.5
71.21932	1.3
72.04895	1.4
73.02911	8.9
74.02448	12.2
79.05499	10.4
80.05015	8.4
81.03399	2.0
81.07059	10.6
84.08139	3.8
86.09691	5.8
87.05069	2.6
87.05585	32.1
87.06087	1.4
88.03973	4.8
91.05479	32.2
93.07042	100.0
94.06572	19.4
95.04975	8.4
95.08598	14.4
98.98464	2.3
103.05490	2.0
105.07024	7.2
107.08576	7.5
108.08112	2.0
109.08910	17.9
109.10140	2.5
111.08070	3.9
112.03954	7.6
116.03451	5.6
117.06983	4.6
119.08575	22.4
120.08110	28.0
121.10147	4.6
122.09658	19.7
129.06958	1.6
129.85771	1.6
133.05168	3.0
133.06088	35.3
134.09660	3.7
135.08054	7.4
136.11197	2.9
137.09592	1.6
147.08052	10.6
148.07532	9.0
148.11177	5.7
162.09183	2.8
165.09116	7.0
166.08632	40.9
173.12860	3.5
179.11816	2.1
180.10106	1.8
181.84901	1.5
185.05550	3.1
187.54707	1.6
192.10240	2.2
203.06566	4.4
208.09714	4.7
210.11247	10.1
222.22475	1.5
225.12321	65.7
226.12466	1.9
231.47844	1.7
238.10719	1.8
250.28400	1.6
256.01089	1.6
256.11813	22.6
269.14929	2.8
315.12082	3.3
315.15521	52.5
316.15799	1.8
333.11380	3.0
333.16296	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0966
Annotation	1-Hydroxy-2,3,4,5-tetramethoxy-xanthone
Peak:m/z	Relative Intensity
53.03938	1.2
55.01859	1.7
55.05523	2.0
56.15799	0.4
57.07037	0.4
57.68624	0.4
61.24346	0.3
64.61512	0.4
65.03938	1.2
67.01875	0.5
67.05492	2.3
68.99776	0.8
69.03415	1.1
69.07072	0.5
70.76993	0.4
70.77333	0.9
71.04982	0.4
79.05048	0.6
79.05486	4.4
80.10340	0.4
81.03407	1.6
81.07047	2.7
83.01329	0.4
83.04974	0.8
83.08631	0.4
85.02918	0.6
91.05482	5.7
93.03398	0.5
93.07040	2.7
95.01339	0.5
95.04962	3.3
95.08598	1.0
97.02882	0.7
97.06522	0.7
98.98458	2.3
103.05471	0.9
105.03381	4.7
105.07039	2.1
107.04943	2.6
107.08585	1.4
109.02878	2.3
109.06520	0.6
109.10165	0.7
111.04412	0.7
115.05449	1.2
117.07032	1.7
119.04940	4.3
119.08564	1.0
121.02866	1.0
121.06526	1.8
121.10178	0.9
123.04427	0.9
123.07958	0.4
125.02362	1.3
128.06213	0.8
129.06985	2.0
131.04947	1.4
131.08562	1.6
133.02878	0.8
133.06482	1.5
133.10132	0.9
135.04416	1.5
135.08020	0.4
137.05948	1.3
140.68526	0.3
141.06967	0.9
143.04921	0.8
143.08571	1.0
145.02927	0.4
145.06470	1.3
145.10143	0.5
147.04405	2.8
147.08069	0.5
147.11693	0.5
149.02391	2.1
149.06007	0.5
149.09593	0.5
151.03926	1.6
152.45383	0.3
153.05484	0.6
153.06996	0.7
155.08522	1.0
157.06482	0.9
157.10153	1.1
159.04387	0.9
159.08064	0.4
159.11688	0.7
161.02365	0.8
161.06012	1.7
163.03918	1.3
163.07541	0.5
165.01880	0.8
165.05489	1.0
165.06903	0.7
166.07693	0.4
167.03410	13.4
167.07059	0.7
167.08528	0.4
169.06558	0.4
169.10085	0.7
171.04388	2.1
171.08022	0.6
171.11670	0.5
173.05954	1.1
173.09613	0.8
175.03915	3.6
176.04639	0.7
177.05440	1.4
179.03424	1.4
179.08572	0.7
180.04189	0.4
181.06453	0.7
181.10123	0.6
183.08121	0.7
185.05960	1.0
185.09578	0.4
187.03941	0.8
187.07542	0.6
187.11121	0.7
189.05510	2.3
189.09126	0.6
191.06999	0.9
193.04977	2.6
195.02907	0.9
197.04449	0.8
197.09587	0.5
199.04007	0.5
199.07541	0.5
199.11150	0.7
201.05482	0.6
201.09157	0.4
203.06999	0.5
203.10634	0.8
205.04890	1.2
207.06462	0.6
209.04469	1.7
210.06960	0.4
213.09111	1.0
213.12909	0.4
215.06975	0.5
215.71364	0.4
217.04990	1.4
217.08484	0.6
218.05571	0.4
219.06570	0.9
221.04443	5.3
223.11220	0.6
226.06079	0.7
227.07053	1.1
227.10625	0.5
229.08673	0.4
230.05717	1.2
231.06458	0.8
231.10114	0.9
233.04460	0.6
233.11725	1.7
235.05991	1.2
241.08586	1.6
241.12276	1.1
242.05721	1.1
243.06540	2.0
243.10147	0.7
244.07370	1.4
245.08121	3.1
246.05302	0.7
247.06023	1.4
249.07463	0.5
251.10663	0.9
254.05844	0.5
255.06390	0.6
255.10065	0.8
257.04510	0.5
257.08151	0.9
258.05112	0.6
259.06027	5.6
259.09665	1.5
259.13416	0.9
261.07574	0.7
261.11157	0.7
269.08096	3.2
269.11319	2.3
270.05298	0.5
271.06042	1.1
272.06824	1.3
273.07571	18.1
274.08121	1.1
275.09088	0.5
279.10223	0.5
285.07574	7.7
286.08264	0.9
287.09134	5.5
287.12732	2.3
287.16312	1.2
288.09702	0.5
289.06796	0.5
297.07574	2.2
297.11258	1.5
301.06821	0.4
305.13953	1.6
315.08624	3.3
315.12277	5.4
333.09656	100.0
333.13358	27.5
334.10080	4.5
334.13568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72232	3.9
71.56722	5.4
73.87925	3.5
78.15597	3.4
94.93010	10.6
96.92794	4.6
107.63032	4.1
129.99789	3.3
136.94028	32.0
172.88884	3.6
196.87709	8.8
200.60732	4.0
232.92221	6.1
234.91905	6.7
250.89424	10.1
333.06894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2212
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
51.14297	0.8
55.01864	1.3
55.05506	3.4
57.07064	2.2
57.31293	0.8
58.93357	0.7
60.96765	0.7
61.02901	0.8
65.03951	0.8
65.19855	0.8
65.72429	0.7
67.05511	4.0
68.05018	3.4
69.03400	1.1
69.07053	2.1
69.59977	5.8
70.06591	18.6
72.08140	1.3
75.97142	0.8
79.05469	4.2
80.05003	1.1
81.03395	2.6
81.07054	5.6
83.08611	1.1
84.04542	0.7
84.08117	1.2
85.02904	1.3
85.06535	1.5
86.09695	2.2
90.59245	0.7
91.05473	8.4
93.03447	1.1
93.07033	7.1
94.06586	1.5
95.01308	0.9
95.04947	2.1
95.08581	2.3
96.08118	2.0
97.02863	1.6
97.06546	0.8
98.06040	1.9
98.21500	0.9
98.98469	11.3
100.07598	7.6
105.07025	10.7
107.04943	1.8
107.08585	6.5
108.08126	3.9
109.06514	1.6
109.10178	0.8
112.07578	0.8
114.05537	3.9
114.09188	1.0
115.05434	1.6
116.07104	1.9
116.99467	0.8
117.07047	4.6
119.04903	0.8
119.08575	6.4
120.08109	1.6
121.06464	1.3
121.10148	3.1
122.09657	2.9
123.08040	1.4
123.10471	0.9
123.11676	1.0
128.06204	1.3
128.07051	7.4
129.06967	3.3
129.10197	0.8
131.04996	0.9
131.08571	16.0
133.10124	8.0
134.09677	1.0
135.08046	4.2
135.11670	1.2
136.06161	0.9
137.02347	2.4
137.05963	1.6
138.02684	1.7
140.10680	1.5
142.07774	0.8
142.08656	6.0
143.08521	4.7
144.09251	0.8
145.10110	5.4
147.04393	1.0
147.11674	2.8
149.02388	1.2
149.06032	0.9
151.06300	1.2
153.01926	1.8
153.06990	0.9
154.08626	5.4
157.10133	6.3
158.10918	3.0
159.11681	5.0
161.06004	1.2
161.09634	2.5
163.03862	1.8
165.76395	0.8
167.07076	1.3
168.10201	22.3
169.10205	1.9
171.11678	2.9
173.05962	1.2
173.13264	14.8
175.03932	1.3
175.11241	1.0
175.14894	1.1
176.99020	1.1
177.05566	1.1
178.08627	7.2
180.10211	0.9
182.11691	0.8
184.12505	1.3
189.05544	1.2
192.10115	1.0
193.12233	1.0
194.11798	0.9
199.07513	1.3
199.14790	6.2
201.16383	1.6
217.05077	1.1
217.15848	2.8
221.04471	3.0
232.13257	1.4
233.11717	2.0
233.14087	2.4
234.14935	0.9
241.12172	1.0
248.16434	1.9
251.10863	1.4
257.03577	0.8
258.14877	0.9
269.11816	1.2
272.20245	1.4
273.03949	1.9
273.11273	0.9
273.14194	1.1
274.04233	3.8
283.56577	0.8
284.16565	1.7
287.12732	1.4
288.20654	1.0
297.11301	1.1
299.09012	1.1
301.03217	2.3
302.03775	8.0
302.17532	7.8
303.04471	1.3
303.12076	1.2
305.13715	1.3
314.11545	2.5
314.21188	3.6
315.12177	4.8
316.05707	2.4
317.02420	0.9
317.06104	15.3
317.19775	3.1
332.04755	1.5
332.08557	20.0
332.22192	100.0
333.06235	2.3
333.13254	18.8
333.22406	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15333	2.2
53.04538	2.0
55.05503	8.3
56.96553	2.7
57.03421	2.3
57.07054	3.4
60.04504	2.2
67.05485	8.6
69.03418	7.6
69.07065	5.0
70.06594	10.2
71.02509	2.8
71.02843	4.8
71.04985	5.2
72.08140	3.4
74.00669	3.7
75.52413	2.0
79.05475	10.3
81.03395	8.0
81.07056	16.8
82.43478	2.3
83.04970	7.1
83.08602	6.3
84.04489	7.7
84.08146	4.7
85.02871	5.3
85.06541	2.5
86.06065	32.6
86.09718	10.1
87.04468	30.0
87.08115	15.5
91.05466	7.5
93.07047	10.5
94.06579	2.7
95.04960	3.5
95.08610	8.7
97.06534	4.3
98.06055	24.7
98.98478	15.3
102.05559	4.6
104.07108	18.8
105.07008	4.1
107.08609	5.3
109.10162	2.2
111.04427	3.1
112.07578	6.9
115.19521	2.0
119.08571	4.3
120.01170	3.0
121.10152	5.7
124.07514	4.3
126.05514	5.6
128.03430	2.2
128.07008	2.2
129.07039	2.7
131.08582	4.9
133.10146	4.9
138.12781	2.6
139.03902	4.5
142.08606	3.4
145.02840	2.2
147.11699	4.6
149.05943	2.1
149.09624	15.1
151.02177	2.8
154.08597	2.3
156.06546	4.7
158.08170	4.5
165.00026	6.0
170.06364	3.0
173.12863	6.8
175.11137	5.1
177.05470	5.4
179.01631	7.0
184.13300	4.4
185.02760	3.1
186.87206	2.8
193.12222	6.0
201.12370	2.2
202.07121	3.6
210.14908	8.2
211.00618	18.4
211.04056	4.9
211.13252	12.4
236.03621	2.9
239.03796	3.0
243.03221	6.2
246.09772	3.3
252.15971	6.6
270.16992	8.7
278.17453	3.9
288.18015	20.4
289.18512	2.3
296.18591	2.5
300.05383	13.1
300.14383	4.3
314.19595	100.0
332.17038	8.2
332.20575	4.0
332.24265	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	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03940	1.1
56.31417	0.5
56.96560	3.1
56.99625	0.4
57.03430	1.8
58.91045	0.5
61.02927	2.6
65.03942	1.0
66.96801	0.4
67.05508	2.7
68.02583	0.4
69.03432	7.4
70.06585	0.9
71.57368	0.6
71.57716	0.6
72.08140	1.1
73.02904	1.8
79.05489	1.3
80.04993	0.6
81.03408	2.1
81.04534	0.9
81.07062	0.6
84.08133	3.5
85.02896	7.2
86.09699	0.6
87.04456	1.3
91.03962	0.6
96.08115	1.0
97.02895	3.7
98.97594	1.4
99.04431	0.9
106.06546	5.0
108.08112	100.0
109.02873	1.4
109.08419	1.4
110.06010	0.5
116.98583	0.8
122.06001	0.6
122.07124	0.6
123.06809	4.0
124.07585	19.5
125.03584	0.6
127.03903	1.5
128.98624	0.6
129.10255	0.6
130.08626	0.6
131.00154	0.6
134.06010	18.0
136.07571	14.1
136.08363	0.3
145.04945	0.9
152.07060	87.9
153.07404	0.7
154.08604	1.7
158.99716	0.5
170.08099	20.7
170.09154	1.4
174.00751	0.5
178.04906	0.8
186.04390	0.6
220.05048	0.6
222.06473	0.5
259.80481	0.5
263.17117	0.6
269.74286	0.5
290.25708	0.4
314.12320	38.3
315.12405	1.4
318.47192	0.5
332.13394	40.8
333.13788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70969	1.9
55.05500	6.5
57.03437	4.4
57.07076	59.2
67.05510	12.6
69.07088	9.7
69.58232	11.3
69.58650	4.7
70.06588	12.2
71.06911	2.9
71.08632	36.8
72.08968	2.1
81.07054	15.6
83.08607	12.6
85.06556	2.3
85.10184	22.3
88.07637	16.0
89.07958	2.3
91.05482	2.8
93.07030	4.3
95.08610	37.1
97.10167	8.2
98.21478	4.4
98.98468	95.0
102.09195	3.2
105.07045	3.6
106.08656	6.5
109.10162	14.0
109.67232	2.0
111.11727	3.4
116.99529	2.3
117.07040	1.9
119.08591	4.5
123.11723	5.8
127.54318	2.1
151.86705	1.7
169.02489	2.0
174.99274	3.1
176.98921	5.3
212.85941	2.0
239.23723	8.9
255.43407	2.4
257.24808	4.1
295.94217	2.1
313.27335	27.1
313.32919	6.1
331.22903	2.8
331.26379	5.5
331.34003	100.0
332.74680	2.2
349.17142	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	331.2242
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
58.53751	1.0
59.56178	1.0
64.92656	1.0
69.73180	7.1
69.82960	1.0
71.39853	1.0
92.23663	1.0
98.21455	2.0
98.98467	29.0
132.64656	1.0
145.10081	1.5
176.98833	1.8
331.22427	100.0
332.22772	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.0
57.07081	7.7
66.24976	1.4
67.05490	3.3
69.07045	2.4
70.06584	4.1
70.44722	1.4
71.08620	5.0
71.14098	3.5
78.93401	1.4
79.05482	2.0
81.07038	3.9
81.19365	1.6
81.24105	1.3
83.08604	2.0
85.10180	3.0
88.07619	3.8
91.05440	2.9
95.08588	5.2
97.10161	2.0
98.98466	100.0
100.98904	4.0
102.09129	1.3
105.07047	2.3
106.08686	3.0
109.10158	3.5
116.99493	5.2
119.08549	1.8
133.10138	2.4
135.11679	1.6
140.01105	2.7
145.10059	2.7
174.99171	2.0
176.98935	5.5
193.34210	1.4
239.23660	1.9
313.27338	2.7
316.05551	1.6
331.22443	64.9
331.34003	25.8
332.22598	2.0
332.26105	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.0
57.03429	3.2
60.02404	1.0
67.05492	3.2
69.07085	1.0
70.34978	4.9
74.85004	1.0
78.72572	0.9
78.73024	1.0
79.05496	1.6
81.07050	2.5
83.04960	1.1
83.83215	1.0
91.05468	3.6
93.07046	1.1
95.08633	1.3
98.98460	36.1
100.98873	1.8
105.07018	5.0
116.99495	2.0
117.06984	4.0
119.08578	2.8
131.08571	4.6
133.10121	2.6
134.59261	1.0
143.08531	2.9
145.10123	33.1
157.10144	2.2
158.13277	1.0
159.11726	3.8
169.10114	2.0
171.11650	5.0
174.99352	1.2
175.03908	3.1
176.98944	2.6
183.11707	2.3
185.13297	1.4
197.13417	1.2
203.10997	1.0
229.08545	1.6
239.17998	4.0
247.09686	2.7
257.19046	4.3
331.18814	100.0
331.22552	9.2
332.19110	3.2
354.40158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
55.05509	10.3
57.07071	4.3
59.04993	1.2
65.03931	4.8
67.05503	21.3
67.05837	1.8
69.07071	2.2
70.84189	3.0
71.04980	2.7
79.05493	3.1
81.03431	1.0
81.07081	1.9
83.01340	1.1
85.06544	16.3
91.05478	10.2
93.07053	1.7
95.04964	1.9
95.08620	2.3
98.98466	65.7
100.98899	1.2
103.05479	1.7
105.07028	3.6
107.08604	1.8
109.10169	1.1
115.05410	1.4
116.99519	2.8
117.07018	2.3
119.04966	4.2
119.08599	2.6
121.06487	1.6
121.10149	2.6
129.07008	1.6
129.10825	1.0
131.04903	5.2
131.08583	3.4
131.85616	0.9
133.06480	2.7
133.10115	3.1
141.07018	1.7
143.08609	1.0
145.10146	8.4
147.04408	16.5
155.08562	1.3
157.10121	1.3
159.04410	8.1
159.11674	2.4
161.06018	1.3
163.03918	3.3
166.02753	1.0
166.26312	0.9
167.08488	1.1
171.04416	2.6
171.08040	1.2
171.11659	2.1
173.05997	2.1
173.09645	1.0
173.13278	1.1
175.03911	100.0
176.04456	1.6
176.98976	3.2
177.05490	14.8
181.04974	5.3
181.06435	1.2
181.82077	1.0
185.05984	1.1
185.09633	1.0
186.35699	0.9
187.03897	15.5
187.07536	2.3
189.05478	13.2
199.03879	7.8
199.07541	1.7
201.05492	6.3
201.09055	1.2
203.03366	3.2
203.07045	1.8
203.10677	1.8
213.05525	1.6
213.09293	1.3
215.07092	4.2
218.80647	1.1
219.98637	1.1
226.06245	4.1
227.07162	2.0
229.08600	26.2
231.10136	17.4
241.08601	18.2
242.95021	0.9
243.10173	16.4
245.08101	3.4
247.09660	36.0
253.08617	2.4
259.09680	16.6
261.11163	1.1
271.09537	1.7
295.13220	2.1
313.14343	10.9
313.17731	1.9
316.05704	1.5
324.84515	0.9
331.08063	3.1
331.11810	3.9
331.15430	4.8
331.18936	3.3
331.22565	2.9
331.26120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01862	1.1
55.05505	1.2
56.05019	0.6
56.96544	0.6
57.03437	1.3
58.07352	0.6
58.99577	4.2
65.03949	1.5
67.05492	2.1
68.05025	1.2
69.03430	1.1
69.07064	4.5
70.06593	1.4
71.57133	1.0
71.57524	0.7
72.08163	1.0
74.00672	0.7
76.02228	4.1
79.05506	3.4
79.21013	0.6
81.07056	15.4
83.06101	7.4
84.04491	1.9
84.08134	1.3
85.02855	0.9
86.00640	2.0
86.09705	1.7
86.99055	1.9
87.02660	3.7
89.03926	1.3
91.05478	1.2
94.06564	13.5
95.04953	2.4
95.08590	1.3
96.04482	0.9
97.06539	1.2
98.98466	27.7
99.08083	1.4
100.98830	0.6
105.00069	1.4
105.07024	0.8
106.06580	0.9
108.08108	2.4
109.10188	0.6
110.06039	4.3
112.07588	1.8
114.03664	0.6
115.05763	0.8
116.05002	3.6
116.99485	0.9
118.06512	0.8
120.04451	0.7
120.08095	1.3
122.06022	25.6
123.04427	1.1
123.08071	0.7
129.06592	10.1
129.07484	0.9
129.10249	0.8
132.04440	0.8
134.06020	2.0
140.07066	35.2
141.07794	2.2
144.04448	8.4
145.02882	0.6
146.06004	13.8
148.07558	6.2
156.08452	5.6
157.06717	3.5
162.05521	5.6
170.02673	1.0
170.95395	0.6
172.03931	26.0
174.05527	1.6
174.09523	3.4
176.98964	1.5
177.05511	1.1
187.05400	0.9
190.04985	100.0
191.05396	2.1
192.06564	7.5
203.07344	1.0
205.61406	0.6
210.11269	1.3
233.05922	4.1
286.10773	2.0
313.11957	3.5
316.75256	0.7
331.13120	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	331.081
Annotation	Dillenetin
Peak:m/z	Relative Intensity
50.47611	0.4
54.12485	0.5
55.05468	0.7
57.03396	0.4
67.05451	0.7
68.99773	0.4
70.25547	1.3
76.36120	0.3
79.05427	0.7
81.06989	0.9
91.05392	1.0
93.06966	0.6
95.01070	0.4
98.98467	10.2
100.98808	0.4
105.06936	1.2
107.04885	0.3
113.67856	0.3
116.99441	0.6
117.06936	0.6
119.08478	0.7
121.10051	0.9
122.03567	0.4
124.05160	0.6
129.06956	0.5
131.08505	0.9
133.10094	0.7
135.04373	0.4
137.05969	3.6
141.06926	0.5
143.08456	0.7
145.10123	6.0
151.03844	1.1
153.01830	2.0
159.11633	1.0
161.05879	0.6
171.04243	0.4
171.11659	0.9
174.99152	0.5
177.05478	0.6
179.03366	0.4
183.11693	0.6
187.04112	0.4
187.89574	0.4
189.05510	1.9
203.03346	0.7
217.04948	11.5
228.04079	1.3
229.04951	0.6
230.05644	0.5
239.17912	0.8
245.04440	18.4
246.04749	0.8
257.04410	0.5
257.18979	0.9
265.33636	0.4
267.17310	0.5
269.04263	0.4
273.03931	24.1
274.04193	0.6
287.05414	1.5
288.06287	1.3
299.05396	0.8
300.02533	1.9
301.03424	47.4
302.03815	1.3
315.04935	10.0
316.05756	63.4
317.06091	1.8
331.08102	100.0
331.22717	1.7
332.08383	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	331.0811
Annotation	Dillenetin
Peak:m/z	Relative Intensity
68.99773	0.4
69.55288	2.6
87.12154	0.3
98.20761	0.8
98.98466	7.5
98.99518	0.3
107.01276	0.7
110.03686	1.7
121.02857	0.4
123.00756	1.4
137.02347	14.5
137.03398	0.8
150.03040	0.4
151.00217	1.0
151.03853	1.1
153.01794	1.2
154.02589	0.7
155.08621	0.3
161.05971	0.9
165.01770	0.4
165.06905	0.4
167.03348	1.5
169.01323	0.6
171.04414	0.8
176.98872	0.4
184.07268	0.4
189.05478	0.8
199.03906	2.6
201.05383	0.4
207.02797	0.7
217.04967	1.9
227.03358	1.4
241.05008	0.4
242.05780	0.9
243.06416	0.9
245.04453	3.0
245.62462	0.4
255.02899	0.9
256.03635	0.4
257.04443	0.5
271.05972	0.4
273.03943	25.5
274.04517	0.8
283.02347	0.8
284.03323	1.6
287.05383	0.4
288.06262	3.5
299.05505	0.9
300.02631	4.7
301.03430	47.2
302.03787	1.1
315.04980	8.9
316.05780	67.3
317.06229	1.7
331.08127	100.0
332.08450	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
57.60505	0.3
62.21326	0.3
67.01716	0.3
67.05457	0.4
69.03398	0.5
69.56507	2.0
76.83243	0.4
81.06986	0.3
85.80168	0.3
90.84716	0.3
91.05454	0.7
91.38200	0.3
92.02596	0.5
93.07006	0.6
95.01277	1.1
95.08511	0.4
98.21581	0.4
98.98468	5.1
100.98861	0.4
105.06953	0.8
109.02854	0.5
110.03671	2.8
110.51492	0.3
111.04417	0.4
116.99441	0.3
117.06960	0.5
119.08524	0.6
121.02802	0.8
121.10130	0.6
122.03661	0.5
126.12164	0.3
131.04948	0.4
131.08521	0.5
133.10023	0.4
137.02341	7.6
137.03360	0.3
143.08571	0.3
145.10069	1.0
149.02292	0.7
150.03128	0.6
151.03905	0.7
163.64526	0.3
167.03409	2.3
168.04181	0.4
176.98848	0.3
179.03343	0.6
189.05453	0.6
199.03877	1.3
207.02841	0.5
213.05399	0.5
214.06297	0.9
217.04936	1.0
227.03378	1.2
229.04979	0.9
231.02946	0.7
231.06537	0.7
239.17921	0.4
241.04938	0.7
242.05672	3.3
243.06467	1.7
245.04507	2.5
257.04495	0.8
258.05188	0.7
259.05966	2.8
260.06561	0.4
269.04288	0.4
270.05215	1.1
271.06021	2.5
272.03137	0.8
273.03940	17.6
274.04221	0.3
285.04007	0.6
286.04749	1.0
287.05511	9.3
288.06271	5.6
299.05591	1.7
300.02643	1.0
313.17963	0.4
315.04984	22.6
316.05777	75.8
317.06085	1.9
331.08124	100.0
332.08493	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07571	7.2
52.80409	7.1
56.96554	13.4
62.26825	7.7
69.25958	100.0
70.06604	37.3
72.08147	19.2
84.04494	18.8
84.08149	47.6
86.09702	35.2
86.45657	8.6
98.98466	53.1
108.08166	21.0
116.07045	8.9
129.10231	31.6
134.01233	11.0
134.40794	7.8
147.07672	10.5
152.07047	9.8
206.32939	7.6
221.04922	8.8
257.04825	7.9
314.12314	9.0
331.07431	39.4
331.20587	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.5
56.05042	1.9
57.07077	2.7
67.05499	6.4
69.03416	2.0
69.07065	2.0
69.75697	0.9
70.06596	1.2
71.08630	4.5
71.59470	1.1
72.08129	1.0
74.06068	3.0
79.05492	3.2
81.07039	7.3
83.08607	4.4
84.04507	2.1
87.04469	7.4
91.05483	2.9
93.07026	3.0
95.08611	3.3
97.10170	10.2
98.98466	100.0
99.07378	1.0
99.08073	3.6
100.11258	2.8
100.98874	1.7
101.06033	2.4
102.06385	1.1
102.09187	1.3
105.07018	3.5
107.08588	4.3
109.10161	1.3
116.99518	5.5
119.08569	2.0
120.06576	3.2
121.10133	2.2
122.10362	1.2
125.09614	7.3
130.05025	1.4
131.08554	0.9
133.10120	3.2
139.11172	1.1
140.01076	2.2
140.14333	1.2
145.10118	1.3
148.06050	2.1
161.13182	1.6
174.99234	3.9
176.98929	3.6
179.14400	1.2
189.11180	11.2
202.71773	1.0
256.26453	1.6
258.94678	1.1
270.27890	3.1
277.21649	5.4
295.22577	1.1
308.21344	1.0
314.28375	1.1
323.39331	1.0
330.10309	1.1
330.30267	8.2
330.32977	6.7
331.08246	1.5
331.18924	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	330.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40807	0.4
55.05511	7.2
56.05015	0.6
57.03445	0.6
57.05808	0.7
67.05505	0.7
69.07061	1.0
70.06589	5.4
70.20171	1.3
72.08152	100.0
74.06041	0.6
79.05484	0.5
81.03417	0.6
81.07051	1.0
83.04974	0.4
84.04507	1.1
84.08149	2.3
86.08304	0.4
86.09700	8.8
88.03992	2.1
91.05485	1.6
93.07041	1.3
95.04985	0.9
97.02885	0.5
98.98460	25.5
100.07638	0.8
100.98875	0.5
103.05460	0.4
106.06530	0.4
107.04974	0.4
107.08614	0.5
109.10155	0.6
110.07095	0.5
115.05450	0.5
116.99486	0.9
120.08115	1.0
121.06557	0.5
129.07018	0.5
129.10199	0.8
132.10231	1.5
137.06001	1.7
140.07085	0.4
143.04959	1.0
151.03941	0.6
151.07545	0.7
156.08391	0.4
161.54861	0.4
162.05598	0.6
171.14922	33.8
174.99245	0.8
175.07466	0.4
176.98946	1.2
177.49409	0.4
183.08130	0.4
185.16505	2.0
186.99138	0.4
192.10213	4.0
198.11354	0.6
199.14421	12.7
208.05238	1.5
210.06778	0.5
213.05505	0.8
219.01872	0.4
231.17058	3.7
269.08188	0.9
315.05347	0.6
315.08551	2.6
320.15848	0.6
330.06879	1.2
330.11203	2.1
330.16876	0.9
331.08212	0.7
331.12021	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
52.81984	0.5
61.48522	0.4
67.03189	0.4
69.07088	0.4
70.04837	2.0
78.04726	0.5
80.56686	0.4
81.07038	0.4
95.01315	0.7
98.98470	11.6
108.05767	2.4
109.02882	0.5
121.02900	0.4
129.99905	0.4
135.04431	6.1
145.84352	0.4
148.05257	0.7
151.03923	0.8
164.22884	0.4
167.03453	0.6
174.99289	0.9
184.92032	0.5
187.07513	0.7
187.34654	0.5
210.19667	0.4
215.07021	2.5
225.05357	0.7
239.06865	0.5
239.21700	0.4
243.06535	14.4
244.06863	0.5
253.05043	0.6
255.06537	0.6
256.03662	0.6
256.07440	0.4
257.08267	0.7
263.08081	0.5
271.06021	25.9
284.03113	1.1
284.06851	1.1
285.07550	7.4
286.08377	4.4
298.04556	1.9
299.05484	18.0
311.20178	0.8
313.07068	20.1
314.07840	87.2
315.08228	1.4
329.10199	100.0
330.10532	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	329.2084
Annotation	HU-331
Peak:m/z	Relative Intensity
50.91110	1.1
68.93115	1.1
70.24524	2.6
70.24923	1.7
74.92760	1.1
98.98465	26.5
120.83954	1.0
174.99162	1.1
257.74872	1.2
329.20868	100.0
330.21277	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	329.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.7
57.03437	8.6
61.02901	1.9
67.05490	1.7
67.49799	0.7
69.07064	3.6
70.49129	3.3
71.08624	1.2
79.05504	3.6
81.07047	3.9
83.08610	1.5
91.05468	3.8
93.07046	5.7
95.04956	2.2
95.08584	3.2
97.10181	0.8
98.98466	100.0
105.07034	4.5
107.08598	7.9
109.06519	1.9
109.10169	0.9
115.05431	1.0
116.99506	4.1
117.05500	8.7
117.06999	2.9
119.08595	5.3
121.06506	0.9
121.10145	6.0
123.11684	1.3
128.06232	2.1
129.06990	2.2
131.08543	4.1
132.80132	0.7
133.10114	7.7
135.04427	1.4
135.08051	2.4
135.11682	4.3
140.01070	1.1
143.08554	6.9
145.06407	1.0
145.10121	4.5
147.11693	1.5
149.09564	1.8
149.13205	1.1
153.06969	0.7
155.08549	1.7
156.09248	0.8
157.10100	3.2
159.08076	1.7
159.11673	3.3
161.05951	0.8
161.09621	2.5
163.11214	1.9
167.08545	2.5
167.10678	1.2
169.08838	0.8
169.10126	4.2
171.11707	4.4
173.09656	1.1
173.13266	2.0
174.99237	7.5
176.98929	2.4
179.08527	1.0
180.09271	1.0
181.10159	5.4
182.10760	0.8
183.11728	3.5
185.13210	1.8
187.11147	1.8
193.10159	1.1
195.11731	6.2
195.13333	1.1
197.13264	3.2
199.11211	1.6
199.14732	1.7
201.12781	1.6
208.12468	1.2
209.13239	4.8
211.14865	2.0
213.12764	3.2
215.07028	1.1
215.14331	0.9
219.21049	1.2
222.14130	0.7
223.14787	2.3
227.14265	1.3
227.17935	2.3
235.14740	1.8
237.16342	11.1
238.16914	1.0
243.06593	4.4
243.08730	0.8
251.17935	3.0
253.15805	2.0
255.17473	4.7
261.16461	1.0
269.15640	0.9
269.19043	5.1
271.05975	7.3
279.17435	2.9
285.07489	1.3
286.08313	1.1
297.18521	7.7
299.05487	5.2
301.21890	0.9
311.20078	10.3
313.07040	7.3
314.07837	24.5
315.08359	1.8
329.10184	30.0
329.21030	10.4
330.10535	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	329.1018
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
53.03982	0.3
53.22869	0.3
55.01894	0.4
55.05532	0.6
57.03478	0.4
62.44516	0.3
67.05541	0.7
69.03436	1.5
69.07083	0.4
72.08151	2.1
78.04752	0.3
79.05484	1.4
81.03438	0.3
81.07104	1.0
83.05020	0.4
85.02946	0.7
86.94494	0.3
91.05521	1.3
93.07049	5.2
95.01370	0.3
95.05029	1.0
95.08649	1.1
97.02936	0.5
98.20687	0.4
98.98466	35.1
105.07090	1.2
107.04986	0.5
107.08640	1.0
108.05786	1.3
109.02946	0.9
109.10174	0.6
111.04488	0.4
111.08124	0.4
112.11237	0.3
116.99494	1.6
117.07047	0.6
119.08566	1.8
121.02917	0.5
121.10140	5.5
123.08106	0.5
127.03873	0.4
131.08643	0.8
133.10178	0.5
135.04407	4.3
137.02373	0.6
137.05992	1.0
140.01060	0.3
141.07053	0.5
143.08556	0.4
145.10165	0.3
148.05257	0.4
149.06023	0.4
149.09691	0.9
150.06734	1.5
151.03940	0.6
157.06512	0.3
157.90083	0.3
159.69748	0.3
160.73065	0.3
161.05914	0.3
165.01852	2.3
167.10764	0.4
168.53510	0.3
169.06548	0.9
173.13438	0.3
174.99249	2.4
176.99011	1.1
177.05450	0.4
187.07553	0.7
189.05443	0.3
197.06071	1.3
211.07451	0.3
215.07025	2.1
217.05017	0.8
225.05464	0.9
227.07083	0.9
229.04904	0.4
239.06967	0.3
240.23247	1.8
241.23668	0.7
242.05814	1.0
243.06511	9.4
253.04967	0.8
254.05698	0.4
255.06685	0.4
256.03677	0.6
256.07321	0.8
257.08148	0.6
268.07230	0.4
269.04599	0.5
269.08453	0.3
270.05237	4.5
271.06006	18.5
272.06317	0.5
283.06042	0.7
284.03476	0.4
284.06824	0.8
285.04028	0.9
285.07535	11.0
286.08356	4.9
297.07761	0.7
298.04742	3.5
299.05502	12.4
300.06232	2.1
301.07019	0.5
311.30548	0.9
313.07037	21.4
314.07837	65.7
315.08252	1.5
328.33191	1.5
329.10181	100.0
329.33463	0.9
330.10526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05494	0.4
57.19835	0.4
65.53731	0.4
70.26591	0.7
70.26975	0.9
79.05449	0.4
91.05488	0.7
93.07034	1.3
97.02892	0.5
98.98463	18.5
105.07004	0.5
107.01278	0.6
108.05731	1.7
116.99486	0.7
119.08552	0.5
121.10148	1.6
123.00793	1.8
125.05997	0.6
133.10078	0.4
135.00751	0.7
135.04408	15.4
147.04424	0.7
148.05199	1.0
151.00255	0.8
152.01044	0.5
153.01823	0.5
154.02625	0.5
157.06358	0.5
159.08034	1.1
159.29630	0.4
162.91476	0.4
167.03403	0.9
169.01285	0.5
169.06523	0.6
172.43701	0.4
174.99240	1.3
176.98947	0.8
177.41113	0.4
187.07516	1.5
197.06003	1.6
203.03416	0.5
215.06999	2.5
225.05406	0.6
227.07060	0.8
228.04175	1.2
243.06569	5.5
256.03693	1.1
268.03677	2.9
271.06006	27.4
272.06516	0.6
283.05771	0.6
284.03027	2.3
286.08316	3.1
298.04688	5.1
299.05499	56.9
300.05872	1.7
311.20428	0.4
313.07056	10.2
314.07834	72.0
315.08127	2.5
329.10184	100.0
330.10483	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	329.0653
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
55.01862	0.6
55.05512	0.5
57.03425	0.5
62.66961	0.3
65.03931	0.4
65.18736	0.3
67.05497	0.8
68.99788	6.1
69.03421	1.2
69.95013	1.9
79.05502	1.2
81.03378	0.4
81.07043	0.7
83.04970	0.5
85.02897	0.8
91.05475	1.9
92.27382	0.3
93.07032	5.0
95.04966	1.1
95.08614	0.6
97.02874	1.0
98.98460	49.3
103.05453	0.8
105.07034	4.2
105.39193	0.4
107.04968	0.4
107.08601	0.9
109.06474	0.4
109.10156	0.5
110.22687	0.4
110.87736	0.3
111.00803	5.8
115.05428	1.2
116.99505	2.4
117.06989	0.5
118.04190	0.3
119.08575	1.5
121.02897	0.4
121.06550	0.4
121.10142	4.3
123.04449	0.5
123.08030	0.4
124.01553	1.4
129.03375	0.5
129.07014	0.4
131.04924	1.9
131.08514	0.7
133.06506	3.0
133.10121	0.4
134.03633	1.7
135.08034	0.5
137.02339	0.8
137.05934	0.5
137.09587	0.6
140.01086	0.5
145.10098	0.6
146.03633	0.4
147.04402	0.4
148.05118	0.5
149.02345	0.6
149.09615	1.0
152.01006	0.4
153.01828	3.5
157.06435	0.5
159.04364	1.0
161.02350	0.5
161.05939	2.1
163.07544	1.4
164.04601	0.4
167.04950	0.3
170.02228	0.7
174.03091	1.8
174.99223	3.5
175.03896	1.5
176.04724	0.9
176.98938	1.2
177.05548	0.3
184.05206	0.8
185.05978	0.8
188.04634	0.4
189.01825	5.6
189.03603	0.7
189.05446	13.2
190.05847	0.4
191.06996	1.4
195.04449	0.5
199.07629	0.9
201.05492	0.5
202.02599	12.9
202.06363	0.4
203.03131	0.7
203.07014	1.3
206.02127	0.5
207.02798	0.8
212.04565	1.0
213.05394	2.4
217.04950	45.8
218.05312	1.2
220.03638	1.2
221.04520	0.7
227.07051	0.6
229.04916	1.6
230.05710	1.1
240.04152	1.0
241.04900	1.7
255.06541	0.4
257.04483	0.8
258.05231	6.6
259.05954	1.2
268.03644	4.1
269.04462	3.5
269.07416	0.5
273.04868	0.4
273.07602	2.9
285.03918	9.6
286.04700	8.8
287.05374	0.6
296.03137	5.1
297.03760	0.6
301.03726	0.5
301.07025	3.7
311.16406	0.5
313.03271	2.1
314.04184	13.5
315.04697	0.8
329.06519	100.0
330.06927	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	329.0654
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
55.05511	0.5
60.36222	0.4
67.05490	0.5
68.99439	0.8
68.99791	10.1
69.03394	0.5
69.86562	2.3
71.90598	0.4
75.47197	0.4
79.05490	0.8
81.07034	0.5
89.77116	0.4
91.05495	0.5
93.07022	1.3
94.18987	0.4
95.08643	0.5
98.98469	26.6
111.00806	10.2
115.05466	0.4
116.99480	0.9
118.04069	0.4
121.02806	0.5
121.10123	1.1
129.03328	0.9
130.86867	0.4
131.04936	1.1
133.06461	0.5
139.71202	0.4
140.29860	0.4
145.06474	0.5
146.03624	5.0
149.02345	0.9
149.05998	0.9
153.01843	1.5
161.05983	11.6
162.06215	0.5
163.07558	0.7
168.92058	0.4
174.03139	3.4
174.99274	1.7
175.03906	2.5
175.07553	0.6
176.04659	1.6
176.99026	0.5
177.05470	0.5
184.05107	0.7
185.06050	0.5
186.03085	0.6
187.07542	0.5
189.05464	22.6
190.05826	0.6
191.07039	5.6
199.07550	0.7
202.02606	6.8
203.03345	3.7
203.07042	1.8
204.04166	0.6
206.02158	1.1
212.04631	0.8
213.05528	2.0
217.04965	92.1
218.05321	1.8
221.04436	1.1
227.07031	1.4
229.04904	0.7
231.06480	0.7
240.04257	0.5
241.04968	1.3
245.08105	1.1
255.06628	0.9
258.05255	1.9
259.06052	1.5
269.04459	1.9
273.07669	2.9
285.04016	1.0
286.04742	0.7
287.05603	0.5
296.31693	0.5
297.03961	0.7
301.07086	5.2
314.04156	3.1
329.06555	100.0
330.06967	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	329.0653
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
53.41268	0.5
63.71658	0.5
68.99777	1.6
69.03419	1.1
70.25546	2.2
91.05480	1.1
93.07014	2.0
95.04906	0.5
98.98461	8.8
99.04428	1.9
100.59672	0.5
107.04986	0.6
118.99180	0.4
119.04912	0.8
119.08540	0.5
121.10114	1.5
125.02322	3.7
129.03334	1.1
135.04425	3.5
139.05380	1.1
141.07022	0.6
147.04413	18.1
149.09497	0.6
153.06915	0.5
157.02887	1.1
161.02362	0.8
162.03107	0.5
167.03392	2.7
167.04817	1.0
168.05618	0.7
169.06502	0.7
171.04491	0.8
174.99165	0.7
175.03908	15.5
184.05151	1.2
185.04504	0.5
185.05890	2.5
187.59299	0.5
195.04434	1.2
197.05994	1.2
199.07535	2.7
200.04770	0.6
201.05476	0.6
203.03391	64.6
204.03717	1.5
209.05946	0.5
212.04675	1.3
213.05496	3.0
217.08502	0.7
220.03577	0.7
223.03793	0.8
227.03372	1.3
227.06976	4.6
230.05678	0.8
237.05481	0.7
240.04178	0.7
241.04970	2.2
242.05711	1.0
243.06352	0.6
245.08141	2.1
253.04912	0.9
255.06459	2.4
259.05991	1.4
268.03714	1.8
269.04410	1.6
271.06024	4.6
273.07581	5.5
283.06049	1.3
298.04654	1.2
299.05463	11.9
301.07001	4.5
304.32132	0.6
313.07031	1.6
314.04382	0.8
314.07800	16.0
329.06528	100.0
329.10223	21.2
330.06870	3.5
330.10278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0656
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
58.66962	0.4
69.03414	0.7
69.27772	4.5
85.02880	0.5
86.09687	0.5
93.07038	0.6
94.92828	0.3
98.15421	0.4
98.98466	41.2
105.07001	0.6
108.02081	0.5
111.04430	0.7
116.99471	1.6
119.08498	0.5
121.02844	1.0
121.10142	0.7
123.04369	0.5
128.06242	0.6
135.04465	0.6
137.05965	0.6
139.03896	0.6
139.05481	0.7
143.37402	0.4
143.62267	0.4
145.06566	0.4
146.07219	0.5
147.04381	1.1
151.03912	0.5
152.01047	0.8
156.05615	0.6
157.06471	1.4
161.02332	0.7
162.03125	0.6
163.03909	0.4
164.04631	0.4
167.03387	0.4
167.04933	1.4
170.02150	0.5
173.05913	0.5
174.06671	0.9
174.99231	2.7
176.98927	1.0
179.03276	0.4
181.06427	0.5
183.04260	0.5
184.05196	3.1
185.05951	2.3
188.04637	0.4
189.01942	0.4
189.09033	0.5
195.04381	1.2
197.06003	0.6
199.07385	0.5
201.05434	1.3
202.06252	2.0
208.05202	1.0
209.06038	0.5
212.04654	3.7
213.05475	8.1
214.06010	0.4
223.03841	1.1
227.07057	1.4
229.04959	2.6
230.05711	1.6
237.05461	0.5
240.04184	3.1
241.04932	5.6
242.05666	0.8
251.03337	1.0
255.06519	1.1
257.04471	0.6
258.05203	5.1
268.03641	1.0
269.04453	5.1
269.07837	0.7
270.04935	0.5
271.05997	0.7
272.20108	0.5
273.07645	0.9
283.05951	1.3
285.03949	16.3
286.04712	14.4
286.07693	0.4
287.05023	0.6
293.19232	0.5
299.05609	0.7
301.06973	1.5
311.05383	0.5
311.20523	0.7
314.04193	56.9
315.04437	1.5
315.08432	1.4
329.06546	100.0
330.06897	3.5
330.10730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0653
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
53.18565	0.2
55.05494	0.2
65.03909	0.2
68.99785	5.1
70.06548	0.2
70.66463	0.2
72.08123	0.2
79.05455	0.2
81.03346	0.2
91.05457	0.2
93.07030	0.2
95.04919	0.4
95.08583	0.2
97.64519	0.2
98.98462	18.1
100.98869	0.2
101.02381	1.1
103.05405	0.4
107.04936	0.4
108.02079	0.2
111.00755	0.6
115.05422	0.4
116.99502	0.8
117.06972	0.2
121.02787	0.3
121.10096	0.4
123.04424	1.1
129.06927	0.2
131.04886	0.4
133.02789	0.6
134.03577	0.2
135.04359	0.5
137.02298	1.1
137.05882	0.2
139.05356	0.4
143.04860	0.2
145.06409	0.6
147.04402	1.8
151.03833	0.3
152.06198	0.2
153.01753	0.5
153.06952	0.3
155.03748	0.3
155.04910	4.6
157.06421	0.3
159.04370	0.2
161.02296	0.8
161.05914	0.3
161.59621	0.2
163.03996	0.3
167.03328	1.9
167.04855	1.2
168.23048	0.2
169.06450	0.3
171.04414	1.0
173.05994	1.7
174.03090	0.6
174.99243	1.1
175.03931	1.0
176.04591	0.6
176.98862	0.5
181.06448	0.3
183.04420	3.7
184.05061	0.3
185.05952	1.4
187.07448	0.3
188.04654	0.6
189.01726	0.5
189.03474	0.2
189.05437	0.7
191.03371	0.2
191.07031	0.2
195.04396	1.3
197.05922	0.5
198.06517	0.2
199.03868	1.7
199.07426	0.4
200.04623	0.5
201.05470	3.3
202.02573	1.0
202.06035	0.2
203.01497	0.2
203.03377	5.0
203.07076	0.3
207.02905	0.3
208.05116	1.4
209.05869	0.2
210.06639	0.2
211.07439	0.3
212.04669	0.4
213.05464	3.5
215.07071	0.3
216.04138	0.4
217.04877	0.2
218.05733	1.5
220.03676	1.8
223.03864	0.9
225.05432	0.5
227.03348	0.7
227.07045	1.3
229.04959	1.0
230.05553	0.3
231.06479	1.4
233.08063	0.8
236.04767	0.3
237.05449	0.4
240.04114	0.6
241.04964	1.8
242.05493	0.2
244.03622	0.6
245.08037	0.6
251.03442	0.2
253.04980	0.3
254.05566	0.3
255.02644	0.2
255.06483	0.9
257.04434	0.4
258.05246	0.9
259.06036	4.1
265.04855	0.3
268.03662	1.6
269.04590	1.6
269.07599	1.2
271.05646	0.2
273.04346	0.3
273.07468	1.3
282.05261	0.4
283.06030	1.4
285.03918	6.6
286.04678	5.2
287.05109	0.3
296.03140	0.5
297.03857	1.2
300.02734	0.3
301.06955	1.1
311.05496	2.8
312.05902	0.8
313.03397	21.9
314.04175	19.7
315.04510	0.9
315.08588	3.2
329.06522	100.0
330.06845	4.9
330.10941	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	329.0652
Annotation	Khrinone D
Peak:m/z	Relative Intensity
54.98635	0.4
55.01870	0.7
55.05506	1.4
55.43213	0.5
57.03430	0.6
57.19179	0.4
59.72645	0.5
61.02906	0.5
66.15518	0.5
67.01874	2.6
67.05504	1.4
68.99787	1.0
69.03433	3.6
69.07067	0.8
69.95363	1.5
69.95773	1.4
72.08145	0.7
75.07265	0.5
79.05486	3.5
81.03397	0.5
81.07050	2.4
83.04964	1.6
85.02896	1.9
89.03938	0.5
91.05484	4.7
93.03404	0.6
93.07043	12.4
95.04959	1.6
95.08618	1.6
97.02885	1.6
98.98462	100.0
99.04453	1.7
99.07952	0.5
100.98878	0.6
103.05466	0.6
105.03387	2.7
105.07030	2.8
107.04940	3.8
107.08588	2.1
109.06517	0.7
109.10165	0.8
111.04427	2.9
111.08067	0.8
115.05466	0.8
116.99507	6.2
117.07030	1.5
118.04173	1.6
119.08564	3.6
121.02864	1.5
121.06542	0.6
121.10138	12.5
123.04435	0.7
124.01582	0.5
125.02381	0.8
127.03967	0.9
128.06244	0.7
129.06982	1.4
131.08548	1.1
133.02856	1.6
133.10149	1.0
135.04393	2.8
137.09605	0.6
140.01074	1.5
143.08545	0.9
145.02866	3.3
145.10106	0.8
147.04419	1.4
147.08023	0.8
149.02299	1.6
149.09622	2.8
151.03859	0.8
153.07034	0.6
157.10185	0.5
159.04475	0.5
161.02322	1.2
163.03896	3.7
167.03397	42.4
167.10728	0.7
168.03775	1.1
169.06461	0.6
169.10104	0.7
171.08047	1.2
174.99245	6.6
175.03886	6.4
176.98909	2.7
184.05171	3.8
185.04472	2.0
187.03943	0.7
189.01804	1.7
189.08865	0.6
196.05209	0.9
199.07545	1.0
203.03403	8.8
206.79138	0.5
207.02890	1.0
212.04665	10.2
212.06590	0.8
213.05388	0.7
225.05521	0.6
227.07018	5.8
240.04147	3.4
240.23215	1.0
250.02515	0.9
252.99796	0.6
255.06476	4.2
258.05222	1.2
267.02948	2.7
268.03650	16.3
269.04202	1.1
273.07568	1.4
283.05991	32.5
284.06390	1.2
286.04633	0.6
296.03152	1.9
301.07037	4.0
311.05487	91.6
312.05841	4.0
313.29355	0.6
314.07773	1.4
329.06537	65.7
329.09808	2.4
329.21057	1.0
330.07065	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29366	0.6
53.03930	0.7
55.01851	0.8
55.05497	2.6
57.03435	1.0
57.06837	0.9
57.07077	11.9
58.06594	4.0
66.05145	0.7
67.05495	3.6
68.63918	0.6
68.99783	1.0
69.03406	2.0
69.07077	1.4
69.35879	6.6
70.06564	0.7
71.04976	0.7
71.08633	6.9
72.08159	77.5
73.08472	0.8
74.57889	0.7
79.05476	1.9
81.07059	4.0
83.08611	2.5
84.08130	2.1
85.02888	1.5
85.10187	4.2
91.05484	4.9
93.07052	8.6
95.04956	1.5
95.08611	6.7
97.02897	1.4
97.10181	1.2
98.98470	85.8
105.07018	2.5
107.04898	1.1
107.08546	1.1
109.06503	1.0
109.10153	5.4
111.00810	0.7
112.11250	3.8
116.99510	4.1
119.08562	2.7
120.08878	2.4
121.10156	6.3
123.11699	1.6
129.07004	0.8
131.04929	0.8
137.02353	1.5
140.01039	0.8
147.08031	1.1
148.08353	0.9
149.09618	1.4
164.48848	0.8
165.09088	0.8
171.08159	0.7
174.99245	7.5
176.98912	1.7
183.17496	6.0
189.05426	2.3
202.02570	1.4
214.53104	0.6
217.04965	4.7
229.04964	0.9
236.82382	0.7
240.23221	100.0
241.23549	4.4
257.25848	10.3
269.08224	0.8
284.06335	1.7
285.03979	1.2
285.07428	0.9
286.04913	1.2
298.04205	0.9
301.07172	0.8
306.02798	0.7
311.30557	29.6
312.05756	1.5
312.30865	2.5
313.06543	1.2
314.04208	1.5
314.07663	1.5
328.08917	5.3
328.33228	47.8
329.06528	20.6
329.10172	2.5
329.33539	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07259	1.9
52.97595	2.3
53.03941	4.2
55.05503	9.2
57.03413	3.2
57.07064	6.0
59.45646	2.0
64.24644	1.9
65.03931	2.6
67.05499	17.8
69.03416	2.7
69.07051	9.1
69.68031	10.3
69.68441	3.7
79.05487	15.8
81.03425	3.1
81.07066	19.8
83.04990	2.3
83.08596	5.3
85.06550	4.7
91.05476	23.9
93.07040	45.1
95.04970	48.2
95.08604	34.9
97.06512	12.1
98.98465	100.0
105.07029	39.0
107.08582	21.5
109.06514	8.7
109.10177	12.7
109.53140	2.0
116.99503	2.6
117.07028	12.5
119.08582	39.2
121.06520	8.9
121.10140	24.0
123.08122	10.7
123.11697	5.4
128.06218	3.8
129.06960	4.4
130.07829	3.6
131.08560	21.0
133.10138	30.2
135.08028	9.0
135.11665	5.8
137.09608	3.0
142.07770	7.2
143.08560	15.1
144.09377	4.0
145.10126	28.2
147.08017	2.6
147.11667	6.5
149.09604	4.5
155.08548	5.1
156.09361	5.4
157.10130	19.4
158.10872	4.3
159.08109	3.4
159.11693	24.3
161.09601	9.6
161.13184	3.6
165.07019	2.4
169.10144	8.2
170.10931	3.1
171.11691	8.5
173.13234	11.0
174.99243	10.0
175.03874	2.5
175.14847	9.9
179.08539	2.4
181.10115	4.3
182.11018	2.7
183.11708	5.7
184.12434	2.4
185.13278	8.6
187.11151	4.8
187.14787	8.7
195.11620	4.7
197.13278	7.7
199.14813	7.1
201.16420	3.3
205.15907	2.5
209.13171	5.1
211.14879	3.3
213.16342	2.9
215.14270	2.2
217.15799	2.7
225.16499	3.1
235.14845	4.0
241.19650	2.6
253.15843	2.4
309.22162	5.3
327.07968	3.9
327.23035	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01864	3.2
55.05268	1.9
55.05511	28.4
64.62510	1.3
67.05506	8.5
69.03418	5.4
69.07065	7.0
71.57697	1.5
75.90456	1.0
79.05495	11.9
81.07053	8.6
83.04978	2.7
83.08618	18.1
91.05449	6.7
91.26825	1.1
93.07025	7.8
95.04951	1.8
95.08606	3.5
97.10172	35.3
97.12238	1.1
98.98466	100.0
101.64400	1.3
103.82554	1.3
105.07017	6.0
107.08591	37.4
109.10149	2.3
116.99496	4.1
119.08602	4.5
121.10123	4.1
125.08762	1.9
125.09639	27.7
131.08543	1.8
133.10123	4.2
135.08035	2.8
135.11559	1.0
138.04414	1.0
143.10680	1.3
145.10172	2.8
145.11316	1.1
147.11705	3.2
149.09631	2.0
153.09090	2.6
153.12672	1.2
159.11676	2.1
166.04370	1.1
171.10210	1.8
174.99239	8.7
176.98929	2.1
189.11223	44.4
196.45384	1.2
196.58028	1.1
233.07050	1.1
239.18051	1.1
239.68755	1.2
257.19052	3.5
275.20047	26.3
329.06403	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2163
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.03940	0.9
53.26125	0.6
55.01858	0.7
55.05511	6.6
57.03437	1.5
65.55037	0.5
67.05518	3.5
69.03431	3.8
69.07075	3.5
71.04990	0.7
79.05488	4.1
81.03397	2.4
81.07057	5.4
83.04973	1.3
83.08620	4.4
84.08128	0.6
85.02924	0.9
91.05481	6.9
93.07048	7.1
95.04966	1.5
95.08609	3.8
97.02880	1.4
97.06504	0.7
97.10178	7.4
98.98464	100.0
99.08025	0.7
105.07020	1.9
107.04948	0.8
107.08582	3.0
109.10161	2.5
111.04447	0.9
115.05467	0.8
116.99500	5.0
117.07024	2.4
119.08575	8.6
121.06503	0.8
121.10134	1.6
123.08051	2.9
125.09637	7.8
127.03902	0.9
129.07051	2.1
131.08551	1.1
133.10147	1.2
135.08093	1.9
135.11710	0.9
137.06009	0.8
137.09676	1.1
140.01073	0.8
143.08508	1.1
145.06470	0.7
147.08047	5.4
153.09038	1.1
155.08522	0.8
157.10141	2.6
161.09654	1.0
163.11186	1.3
165.09096	2.2
169.10231	0.7
174.99243	8.7
181.04997	0.8
181.10031	0.8
183.10112	0.8
189.11215	9.3
189.12772	1.1
194.79259	0.8
199.11098	0.6
229.61696	0.6
232.91377	0.7
245.38123	0.6
250.99937	1.1
273.18506	1.0
291.19580	4.5
309.20581	1.6
327.04779	1.4
327.08365	0.8
327.19522	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01868	5.3
55.05500	12.3
57.07066	4.2
63.40224	2.7
65.03912	3.4
65.84177	2.8
67.05502	24.1
69.07079	16.2
70.03785	13.7
73.40450	2.5
77.01894	2.8
79.05489	17.0
81.07053	25.8
83.04974	3.2
83.08605	5.4
84.11465	2.9
85.06530	4.7
91.05481	37.6
93.07045	55.1
95.04372	4.0
95.04972	73.8
95.08611	41.2
97.06515	11.8
97.50431	3.3
98.98465	100.0
105.07035	49.4
106.57095	2.8
107.08598	29.0
109.06493	8.7
109.10164	17.9
115.05434	5.2
117.07037	19.7
119.08577	46.6
121.06497	12.0
121.10133	22.4
123.08045	7.5
123.11667	7.7
126.23641	2.9
128.06169	3.3
128.51233	2.8
129.06955	8.2
131.08554	25.3
133.10139	33.0
135.08044	8.6
135.11674	8.3
137.09593	4.0
141.06993	5.1
142.07780	14.7
143.08577	15.2
145.05272	2.9
145.06438	4.4
145.10121	30.3
147.08127	3.5
147.11684	9.8
149.09650	3.4
152.06187	3.5
153.06943	9.4
154.07840	3.1
155.08563	6.3
156.09393	4.2
157.10117	27.6
158.10860	3.4
159.08051	7.9
159.11694	27.9
160.56412	2.8
161.09624	12.0
161.13237	3.6
167.08528	3.7
169.10147	20.4
171.11665	12.0
173.13251	12.1
174.99222	10.0
175.14792	10.9
179.08571	5.2
182.10860	3.8
183.11693	13.1
185.09689	4.0
185.13266	8.6
187.11261	3.8
187.14856	11.7
193.10197	3.4
195.11743	4.7
197.09680	4.6
197.13258	10.2
199.11086	3.4
199.14806	10.7
205.10027	3.5
209.13251	6.9
210.10515	3.2
211.11322	4.9
211.14876	10.8
213.16414	4.5
217.15871	5.6
223.14760	4.2
225.16370	8.3
235.14787	7.4
249.16544	4.2
253.15771	11.6
267.17490	8.0
291.20859	3.7
295.16846	10.3
309.22372	7.0
327.07727	17.1
327.19803	5.0
327.23080	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	327.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.5
53.03946	6.1
54.55894	0.9
55.01866	2.5
55.05504	3.1
57.07058	1.3
65.03937	1.4
67.05492	4.6
69.07063	2.8
73.95961	1.0
77.03917	1.6
79.05479	4.0
81.07054	6.6
83.04962	1.1
91.05483	10.4
93.07030	9.0
95.04965	20.5
95.08606	8.2
97.06539	2.3
98.98463	100.0
105.04521	2.0
105.07027	11.5
107.08585	6.6
109.06484	2.5
109.10191	2.5
115.05444	1.8
116.99500	4.1
117.07011	4.4
119.08570	11.8
121.06502	2.2
121.10149	8.3
123.11687	2.0
128.06229	2.6
129.06984	4.0
130.07852	1.1
131.04912	2.2
131.08546	6.6
133.06491	2.8
133.10115	8.9
135.08052	3.0
137.09607	1.7
141.06979	4.2
142.07756	3.3
143.08546	6.5
145.06490	3.2
145.10109	7.3
147.08011	1.9
147.11681	2.1
149.09621	2.5
152.06212	18.1
153.06999	11.3
154.07697	1.2
155.08522	6.5
157.10088	6.4
159.08098	5.4
159.11708	6.8
161.09607	3.9
163.11176	1.2
167.08540	2.8
168.05690	5.4
168.09309	1.2
169.06436	3.3
169.10143	9.6
171.08061	3.5
171.11703	5.0
173.06036	1.1
173.09573	6.5
173.13307	1.8
174.99226	10.9
175.07587	1.3
175.11142	1.7
175.14769	1.6
179.08533	3.4
181.10158	2.5
183.08093	1.3
183.11743	4.3
185.09607	4.5
185.13200	3.0
187.02917	1.2
187.11252	2.1
187.14902	1.7
193.10104	4.9
194.10992	1.8
195.11725	3.3
197.09554	4.9
197.13297	3.7
198.10381	1.6
199.11162	5.5
199.14861	1.5
205.10126	1.7
206.10973	1.1
207.11742	3.0
209.13245	6.4
211.11230	9.6
211.14772	6.7
213.12726	2.5
215.02563	2.7
219.11691	1.3
220.12480	2.4
221.13284	1.7
223.14888	2.5
224.11916	1.2
225.12749	4.4
225.16359	9.1
228.09290	5.0
229.10077	2.0
233.03618	16.3
235.14798	9.0
237.12762	1.8
239.10512	1.6
239.14267	2.7
239.17957	3.9
249.16338	4.5
251.04613	8.2
251.14275	2.4
253.15869	14.6
267.17441	16.8
277.15921	3.0
295.16882	17.5
299.20279	5.7
309.18533	3.3
309.21933	1.5
310.30957	1.4
327.07803	59.4
327.19574	12.6
327.23154	2.5
328.08148	4.0
345.20370	1.2
349.45187	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01879	2.8
55.05505	4.3
58.38393	1.5
59.04856	2.8
60.05650	12.9
67.05502	2.1
69.03418	3.8
70.06580	8.1
70.46714	3.4
72.08151	36.9
73.06422	10.7
74.02441	2.3
79.05483	2.9
81.03419	2.4
82.06582	1.8
82.86073	1.6
85.02888	2.0
86.02435	3.8
86.07186	6.3
87.07974	7.9
89.10781	1.8
91.05473	10.7
93.07023	5.7
95.04969	5.6
97.02890	7.7
97.07649	6.4
98.06067	6.2
98.98466	100.0
100.08734	18.1
101.88538	2.3
105.03358	2.0
107.04957	5.9
108.22572	1.7
109.02850	4.3
114.10284	34.2
115.08694	9.2
116.99505	2.0
117.07018	2.2
117.69656	1.7
119.04971	2.6
119.08584	11.6
121.02852	4.2
123.04424	9.0
127.08691	2.8
128.07076	19.9
131.12926	73.6
133.02859	2.7
134.03682	2.0
135.04442	4.7
147.04404	37.3
147.08057	6.4
151.03909	6.9
157.10902	10.3
161.02373	2.3
162.03122	3.0
163.03899	10.2
167.90895	1.8
172.13226	5.1
174.99257	11.7
178.04906	1.9
179.03413	6.5
187.11908	22.1
188.12715	2.7
217.13432	2.8
218.11760	2.4
232.09785	3.8
234.11653	2.2
249.12242	2.4
250.10718	4.0
251.14983	7.2
260.13919	6.4
274.11957	3.4
276.15942	3.2
277.16602	63.7
278.17123	1.8
281.16214	4.7
291.14465	3.0
292.15341	4.9
293.16052	16.0
309.15674	11.0
310.16226	3.1
327.16635	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	327.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.02982	2.2
55.05509	9.3
59.04853	3.4
60.05649	26.3
60.16842	1.9
64.81850	2.2
69.98868	12.5
70.06590	15.5
72.08155	71.4
73.06420	7.9
79.05474	3.2
81.03388	2.4
86.02416	7.5
86.07195	11.9
87.07970	12.3
89.03932	3.0
91.05476	3.7
93.07035	2.6
95.04981	10.3
96.06860	2.7
97.07657	12.0
98.06062	10.7
98.98464	100.0
100.07619	3.1
100.08736	15.3
105.03324	3.2
106.82037	2.2
107.04947	8.0
112.08727	3.7
114.10281	43.9
115.08698	6.9
117.03378	3.0
119.04908	2.3
119.08553	5.2
121.02834	4.7
122.74740	1.9
123.04407	16.6
127.08676	5.2
128.07072	23.5
131.12921	83.4
133.02863	9.9
134.03665	5.6
134.06018	2.1
135.04427	11.1
138.60236	2.0
145.02866	5.7
147.04419	27.9
150.05429	2.4
151.03879	8.6
157.10837	8.5
162.05475	2.6
163.03877	24.2
166.09650	2.3
170.09239	2.0
173.84993	1.9
174.99191	8.8
179.03374	14.3
183.87823	2.0
187.11894	23.8
188.12741	4.4
204.10263	3.4
232.09705	5.5
247.41470	2.3
250.10701	4.3
251.15060	2.7
258.12582	2.7
260.14032	4.4
266.97037	2.0
273.48816	2.1
275.15164	2.3
276.15765	8.4
277.16559	17.1
282.17810	2.1
293.16138	4.2
309.15643	3.5
327.12823	2.0
327.16562	13.6
327.19885	2.3
329.35013	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03931	1.1
55.01860	1.7
55.05501	1.1
64.78928	0.7
65.03935	1.3
67.05486	1.7
69.03440	1.5
69.07053	0.9
69.99579	3.7
71.04930	0.6
79.05499	4.8
81.07054	2.7
84.08160	0.8
85.02883	1.0
85.13120	0.6
91.05486	8.1
93.07040	4.5
94.04186	3.9
95.04958	2.9
95.08595	1.9
95.95959	0.7
97.02929	0.8
98.21050	1.4
98.98463	57.4
103.05467	25.4
105.07034	11.8
107.04974	4.1
107.08598	0.8
108.05788	0.7
109.06506	4.3
115.05447	2.8
116.99500	1.9
117.07005	3.3
119.04922	1.7
119.08578	4.9
121.06501	7.3
122.03654	9.2
123.04429	1.2
123.08076	1.7
128.06224	1.4
129.07010	2.1
131.04933	26.4
133.06493	36.3
135.04419	0.7
135.08063	13.2
135.36476	0.7
136.05165	0.9
137.05977	100.0
138.06316	2.0
143.04892	1.5
145.06485	8.5
147.04364	0.8
147.08069	4.9
149.05975	1.7
151.07529	13.1
157.06494	3.4
161.06023	1.3
162.06763	0.9
163.07544	56.3
164.07919	1.4
165.05540	0.8
165.09117	1.8
171.08083	1.8
174.99236	4.5
175.04108	0.8
175.07527	3.7
177.09093	2.0
187.07536	1.5
188.08406	0.8
189.09058	1.6
202.07701	1.5
203.10652	2.2
207.08052	1.1
215.08530	0.6
220.08823	1.6
235.11264	2.0
245.09563	1.5
248.08177	1.1
250.99893	0.8
256.03778	0.8
263.10742	3.9
267.10178	0.8
295.09882	1.1
295.13232	8.1
305.04584	0.7
312.02499	1.1
327.05124	4.2
327.08490	1.1
327.12210	1.2
327.16022	5.2
328.91479	0.9
338.80142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1435
Annotation	Hinokitiol glucoside
Peak:m/z	Relative Intensity
53.03950	6.5
55.01868	3.6
55.05511	8.9
57.03440	4.7
59.04982	1.2
61.86316	1.0
65.03935	3.3
67.05503	9.5
69.03410	2.9
70.06593	5.8
70.39706	0.9
70.93610	2.5
71.04991	9.3
72.08155	5.5
73.02902	3.4
73.06429	0.9
79.05492	11.0
81.03413	3.5
81.07048	6.6
83.01321	1.2
83.04984	17.1
84.04509	2.2
84.08133	2.1
85.02901	2.2
86.09694	2.3
88.16317	1.0
91.05479	56.2
93.03403	1.8
93.07042	38.0
95.04958	7.9
95.08607	15.9
97.02867	1.2
98.98464	100.0
99.04458	18.8
100.11517	1.0
103.05454	4.3
104.06284	1.2
105.07027	7.5
106.51166	1.0
107.04927	2.6
107.08605	2.6
109.02879	7.8
109.06542	2.8
109.10165	5.8
114.10280	4.1
115.05481	1.4
115.08708	1.3
116.99499	3.5
117.05505	2.1
117.07012	12.8
119.04941	1.0
119.08579	81.1
120.08102	1.5
120.08907	2.6
121.06489	3.3
121.10169	1.6
123.04434	6.5
123.08064	2.3
127.03915	8.8
129.07030	6.5
131.12910	3.3
134.04610	4.6
135.08014	1.5
136.06175	1.5
137.05983	3.2
137.09592	9.5
145.04890	1.4
146.11290	1.0
147.04420	3.0
147.08041	34.6
151.03888	1.0
165.02313	1.7
165.09105	26.8
174.99228	11.4
181.19273	0.9
182.04968	14.3
183.10161	2.3
183.15105	0.9
187.11794	1.2
208.02867	18.6
251.00076	1.2
277.16656	3.1
283.19189	0.9
284.52936	1.0
297.13501	1.0
327.08514	1.8
327.13980	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	327.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01857	0.8
55.05509	2.8
57.03429	1.1
59.04853	1.2
60.05645	4.1
61.02943	0.5
65.03941	0.7
67.05497	2.2
68.81870	0.6
69.03423	4.1
70.06593	4.8
70.82935	1.4
71.04974	2.1
72.08152	15.0
73.02898	0.8
73.06415	2.5
79.05502	3.7
81.03413	4.2
81.07046	1.4
82.06558	1.4
83.04948	0.7
84.04512	0.9
84.08138	2.0
85.02896	3.8
86.02424	1.4
86.07197	2.9
86.09708	1.9
87.07981	3.1
91.05476	15.4
93.07036	12.8
95.04949	4.6
95.08601	2.3
97.02892	13.2
97.07656	2.2
98.06052	2.3
98.98461	100.0
99.04469	1.1
100.07667	0.7
100.08733	5.5
103.05449	1.2
105.03389	0.7
105.07028	2.2
107.04950	2.8
107.08572	1.4
109.02882	3.8
109.06512	1.0
109.10173	1.4
114.10287	11.9
115.08682	2.7
116.99515	4.2
117.07001	3.5
119.04906	1.1
119.08576	23.8
121.02843	2.7
121.06486	0.6
121.10159	0.8
122.06065	0.6
123.04423	3.8
123.08025	0.7
127.03931	3.0
127.08690	1.0
128.06229	1.2
128.07083	5.8
129.06992	1.4
129.11380	0.7
131.04941	0.7
131.12927	22.0
133.02852	1.6
134.03632	0.6
134.06032	0.6
135.04378	1.2
135.08034	2.7
136.07692	0.6
137.05966	1.9
137.09639	2.2
140.01155	0.7
147.04398	13.5
147.08037	11.6
151.03871	3.2
151.12283	0.9
157.10843	2.3
161.02327	1.1
162.03148	0.7
163.03925	4.5
163.07558	0.7
165.09106	5.5
165.91940	0.5
172.13170	1.2
173.79855	0.7
174.99217	10.7
179.03410	2.4
183.10135	0.9
187.11877	7.1
188.12703	0.9
191.11835	0.7
192.10454	0.5
217.13474	1.1
218.11710	1.1
221.09456	0.7
232.09676	0.9
250.10760	1.4
251.00061	0.7
251.14975	2.3
260.14008	1.7
276.15930	0.8
277.16586	18.3
278.16766	0.7
281.16119	1.1
292.15259	1.0
293.16058	4.8
309.15558	2.6
327.13437	0.7
327.16742	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	327.1436
Annotation	Hinokitiol glucoside
Peak:m/z	Relative Intensity
53.03942	2.9
55.01872	5.0
55.05512	7.9
57.03431	2.1
59.04976	1.4
60.05639	3.5
64.85391	1.3
65.03935	2.4
65.52858	0.8
67.05495	6.6
69.03427	2.3
70.06590	3.0
70.87626	2.0
71.04990	9.4
72.08152	12.9
73.02902	2.1
74.02452	0.9
78.14278	0.8
79.05479	9.7
81.03416	2.6
81.07061	4.7
83.01339	1.0
83.04977	21.6
84.08144	0.9
85.02890	1.7
86.09666	0.9
87.07953	1.0
88.26372	0.9
91.05482	53.5
93.03438	1.7
93.07044	48.2
95.04975	6.8
95.05527	1.3
95.08607	8.6
97.02891	1.7
97.07674	2.3
98.06030	1.0
98.98465	100.0
99.03839	1.7
99.04452	21.5
99.05096	1.3
100.08704	1.1
103.05457	4.0
104.06248	1.9
105.03415	1.2
105.07022	6.5
107.04963	2.5
107.08590	3.1
109.02855	3.2
109.06522	3.6
109.10167	5.8
114.10278	8.1
115.05445	1.7
115.08616	1.3
116.99484	2.7
117.05522	2.5
117.07008	12.2
119.04979	1.0
119.08577	80.1
120.08886	1.8
121.06544	2.2
121.10145	1.2
123.04427	5.3
123.08066	2.2
127.03913	14.3
127.08669	1.1
128.06241	1.2
128.07069	3.2
129.07014	4.9
131.12920	10.1
133.02792	1.0
135.08041	2.9
137.05995	1.6
137.09610	7.4
137.29059	0.9
140.01016	1.2
145.04942	2.1
145.94846	1.0
147.04408	3.1
147.08041	44.3
151.03860	1.7
163.03897	3.7
165.09113	19.3
174.99197	10.6
179.03442	2.8
183.10153	2.2
187.11884	7.5
208.02896	1.1
217.06998	1.5
232.09775	1.7
251.00169	1.0
263.12973	1.0
276.15802	1.6
277.16589	3.0
293.16034	1.3
297.13467	1.5
309.13220	2.7
327.14459	3.5
335.96320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0861
Annotation	Milletenin C
Peak:m/z	Relative Intensity
53.03935	0.4
54.84963	0.3
55.01872	0.7
55.05494	0.5
57.03434	0.7
61.02928	0.6
62.36678	0.3
65.03915	0.3
67.05499	1.5
69.03424	2.1
71.04990	0.5
71.58801	0.4
72.08152	0.7
75.04458	0.3
75.62011	0.3
76.67931	0.3
79.05483	1.3
81.03407	0.8
81.07043	0.9
83.04963	0.5
83.08611	0.4
83.49367	0.3
84.08118	0.3
85.02899	1.5
91.05466	7.2
93.07036	5.8
95.04969	1.1
95.08588	1.3
97.02882	1.5
97.06509	0.4
98.98460	67.1
100.07622	0.4
103.05473	0.7
105.07026	1.5
107.04962	0.9
107.08611	0.8
109.02882	0.7
109.06512	0.5
109.10143	0.5
111.04446	0.5
115.05464	0.5
116.99510	3.0
117.07028	2.1
118.04169	0.8
118.09902	0.3
119.04937	0.7
119.08578	10.7
121.06492	0.6
121.10143	1.1
123.04417	0.6
123.08107	0.3
127.03907	1.2
128.06261	0.4
129.06978	1.2
131.04922	0.6
133.06497	0.5
135.04407	0.9
135.08051	0.9
137.02341	0.7
137.05963	1.8
137.09607	1.3
140.01059	0.5
143.08531	0.6
145.02849	0.7
145.06512	0.5
146.03638	1.9
147.04407	0.8
147.08037	5.8
147.11685	0.6
148.05209	0.5
152.06227	0.4
153.07021	0.8
157.06473	1.0
161.09607	0.4
163.07550	0.7
165.01848	1.1
165.06981	1.4
165.09081	2.3
168.05719	1.2
169.06517	0.8
170.07225	0.5
171.08029	0.7
172.05104	0.3
174.99222	6.8
175.03940	0.4
179.03305	0.5
181.04921	0.9
181.06435	5.2
182.07245	2.4
183.08055	1.1
183.10152	0.8
185.05962	1.1
191.03384	0.6
192.04172	2.7
196.05202	2.7
197.05975	4.3
199.07437	1.5
209.05945	2.5
210.06776	2.0
211.07533	3.9
212.08249	0.9
213.05450	2.3
224.04710	3.9
224.08209	0.5
225.05411	1.5
226.06276	0.7
227.06987	2.7
228.04138	0.7
228.07652	0.5
235.07690	0.3
237.05397	3.0
238.06206	1.6
238.21584	0.5
239.07027	3.8
239.21915	0.4
240.07661	1.7
241.04938	1.3
243.10141	0.6
249.05382	0.4
251.00056	0.7
252.04132	1.0
253.04927	0.9
254.05768	1.1
255.06537	2.4
256.07239	2.6
266.05771	1.3
267.06525	3.3
267.09726	0.6
268.07239	0.8
269.04382	2.4
271.09674	3.6
282.05032	0.5
283.05991	13.0
284.06598	2.5
293.04407	0.7
295.06030	6.6
295.09418	0.6
296.06815	0.5
297.03937	6.4
298.04645	4.8
299.05457	1.0
299.09125	2.2
309.03793	0.6
311.05463	18.0
312.06238	15.0
327.08603	100.0
328.08975	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	326.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01874	1.0
55.05514	1.2
56.05025	0.8
57.03431	1.1
62.44667	0.4
65.03920	0.7
67.05512	1.6
68.05024	1.4
69.03428	2.5
69.07057	1.3
69.53507	1.2
69.53920	2.5
70.03790	1.0
70.06609	1.4
70.37271	0.5
71.01357	0.5
71.04995	1.7
72.08137	0.8
79.05489	2.9
80.05026	1.4
81.03419	4.4
81.07050	3.3
82.03757	0.8
82.06573	0.7
84.04502	7.3
84.08144	1.2
85.02901	10.3
85.03370	0.7
86.09692	0.9
91.05484	3.5
93.07040	9.3
94.06586	1.4
95.04992	0.6
95.06129	0.9
95.08604	1.5
96.04500	0.5
96.08141	0.9
97.02895	1.8
98.02426	0.6
98.06029	0.7
98.21508	0.9
98.98462	35.3
99.02691	0.4
99.04459	1.0
102.05554	1.2
103.05510	0.6
105.07047	1.5
106.06525	0.6
107.04974	0.6
107.08572	3.1
108.08113	24.0
109.02879	0.6
109.08921	1.1
109.10156	1.2
110.09686	1.8
114.05549	1.5
116.99512	1.5
117.07033	0.5
118.06552	0.7
119.06858	0.7
119.08582	2.8
120.08130	0.6
121.08907	0.8
121.10152	2.2
122.09670	11.5
122.10452	0.8
123.10452	2.1
127.03246	1.1
130.04971	0.7
131.03381	0.5
132.33647	0.5
133.10138	0.6
134.09654	0.7
135.08122	0.6
135.11699	4.8
136.11205	3.9
136.72595	0.5
137.05995	0.8
140.18243	0.5
145.07613	0.7
146.07922	0.5
147.08052	1.2
147.09149	1.0
148.09541	1.3
148.11243	0.5
149.06000	0.6
149.09615	1.1
150.09967	1.9
150.12775	25.4
151.13567	9.6
152.07072	0.6
152.14336	7.6
153.14899	0.5
161.05898	0.5
161.10753	0.6
173.07089	0.9
174.07401	2.0
174.99252	3.5
176.09010	0.8
178.15869	0.7
190.15962	0.7
191.08148	8.3
192.08507	13.0
208.13348	1.6
210.07619	1.3
218.15465	0.5
223.09003	1.9
228.12247	0.9
236.16481	1.7
238.10742	1.0
252.12323	1.6
264.16052	0.9
282.16983	100.0
283.17310	1.7
284.18622	3.0
308.13190	5.9
326.14081	2.9
326.19589	52.3
327.19870	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.6
55.01912	0.6
55.05543	1.4
56.05069	1.1
57.03461	1.1
67.05543	1.3
68.05071	1.5
69.07092	1.2
69.80869	3.5
70.06641	1.4
72.08170	1.0
79.05499	3.4
79.61599	0.5
80.05065	1.1
81.03452	1.2
81.07045	2.8
82.06618	0.7
84.04509	7.4
84.08175	0.7
85.02910	9.3
86.09757	2.2
88.89513	0.6
91.05472	2.7
93.07040	7.4
94.06609	1.2
94.07414	0.6
95.05012	0.7
95.08671	1.6
96.04630	0.6
98.02524	0.6
98.21018	1.5
98.98465	24.2
100.07693	0.6
102.05580	0.9
103.05483	1.2
105.07042	2.5
106.06634	0.6
107.08605	3.3
108.08116	21.5
109.08943	0.6
109.10183	0.7
110.09744	1.6
112.90537	0.5
114.05617	1.6
114.09222	0.8
114.31310	0.5
116.99544	1.4
117.07037	0.5
119.08617	1.3
121.06568	0.6
121.10198	1.1
122.03699	0.6
122.09670	11.4
123.10506	1.9
123.11771	0.6
130.05031	1.0
131.03470	0.9
131.04984	1.5
133.06549	1.8
133.10158	0.8
134.09738	1.0
135.08058	1.0
135.10754	0.9
135.11679	5.0
136.11214	3.8
137.05983	6.8
140.60136	0.5
142.05051	0.7
142.08708	0.8
142.12357	0.8
149.09625	0.6
150.10060	1.2
150.12781	25.9
151.07520	1.0
151.13560	7.7
152.14345	9.2
161.13254	0.7
162.09177	0.7
163.07535	3.2
168.10245	0.7
174.99295	2.1
178.15997	0.5
180.10303	0.6
190.15924	1.0
194.11806	0.9
208.13322	1.2
210.07715	1.6
218.05412	0.6
219.65335	0.6
222.11223	0.9
228.12338	1.3
236.16403	1.7
238.10718	0.9
252.12294	1.2
264.15988	2.7
280.15457	1.1
282.16989	100.0
283.17404	1.5
284.18579	4.3
295.13251	0.7
326.15958	5.3
326.19574	42.2
327.16171	0.6
327.19751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03933	2.0
53.49709	0.8
55.01866	3.3
55.05262	1.6
55.05510	17.9
55.39385	1.0
56.96555	2.9
57.03419	1.5
57.07063	4.2
59.04987	2.0
65.03946	1.1
67.05177	1.3
67.05504	14.7
69.03429	3.8
69.07067	100.0
71.04996	3.0
71.08633	2.2
72.08141	3.6
73.02904	1.7
74.81265	1.2
79.05493	11.2
81.03411	4.7
81.07058	36.2
83.04970	3.1
83.08614	7.1
84.04514	1.7
84.08137	1.9
85.06538	6.7
87.02280	1.0
89.03941	1.3
89.12151	1.0
91.05472	8.7
93.07049	16.5
95.04984	5.9
95.08604	30.6
97.02882	2.8
97.06548	5.6
97.10168	4.1
98.20787	2.7
98.97586	1.9
99.08103	6.9
100.07603	1.7
101.05997	1.7
103.05445	5.3
103.84718	1.0
105.07031	8.7
107.04938	3.2
107.08601	10.6
107.37315	1.1
109.06519	3.0
109.10154	14.5
111.04453	1.7
111.08093	3.8
111.10942	1.5
111.11717	22.7
115.05428	1.3
116.14581	1.1
116.98590	2.7
117.03375	1.9
117.07019	2.5
119.04958	1.8
119.08585	6.5
119.09712	1.1
121.06476	3.3
121.10134	11.7
122.03603	1.4
123.04393	1.2
123.08077	2.1
123.11718	7.9
125.09605	1.3
129.06979	1.4
131.04929	5.9
131.08565	3.9
133.02875	3.4
133.06496	1.5
133.10144	4.8
134.99622	1.1
135.08044	2.5
135.11659	6.4
137.05972	13.7
137.09567	1.0
137.13235	3.2
139.11185	17.5
141.07007	1.5
145.02831	3.6
145.06471	1.7
145.10123	2.3
147.04445	1.2
147.07954	2.4
147.11703	2.7
149.05963	2.3
149.09631	3.8
149.13248	4.6
151.07538	9.1
151.14836	2.5
153.12683	2.9
157.12250	3.6
159.11632	2.0
161.05978	1.8
161.13272	3.2
163.03937	3.0
163.07509	9.3
163.14824	1.7
165.12720	1.6
169.06517	1.6
171.11713	1.2
173.13147	1.5
175.07544	4.9
175.14742	1.2
177.05515	5.9
177.12782	1.2
177.16521	1.2
179.14328	1.4
187.07567	2.4
187.14836	1.4
189.09009	1.1
193.08513	1.1
194.07245	1.9
195.13901	1.6
201.05466	1.9
201.09119	1.5
205.61484	1.1
207.08134	1.2
218.07306	1.7
221.05878	1.4
222.06854	2.5
229.20927	1.0
233.06021	2.5
233.09578	1.9
233.15529	1.7
235.07498	1.1
237.09109	2.0
237.20569	2.1
244.09508	2.4
250.06133	1.1
261.09088	1.9
261.14911	1.4
265.08551	2.5
265.12308	1.9
280.15491	1.2
286.04431	1.3
289.25186	3.3
292.07166	1.2
293.08136	3.2
293.11456	2.3
307.09637	1.7
307.15335	3.6
307.26303	15.6
308.27783	1.4
325.07181	1.5
325.10501	3.1
325.16617	19.4
325.27286	4.1
325.30585	1.9
326.16165	3.2
330.06711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	12.4
55.05498	50.0
56.05500	10.6
59.00916	10.0
63.29911	11.5
67.05495	51.8
69.03405	11.2
69.07043	35.5
70.11370	52.4
79.05490	45.7
81.07068	100.0
83.04979	12.9
83.08598	19.0
83.56806	11.3
91.05475	46.3
93.07027	49.7
95.04958	26.6
95.08582	41.2
97.06528	24.7
97.68374	12.1
105.07005	37.9
107.08572	39.6
109.06500	20.0
109.10136	20.6
117.06978	13.4
119.08553	31.7
121.10137	37.8
131.08539	21.6
133.10133	31.9
135.11678	26.0
137.09584	14.9
145.10191	11.9
147.11693	26.1
149.09618	14.2
149.13249	13.2
159.11679	15.4
160.78659	9.6
211.38986	12.1
227.02966	11.4
263.20016	25.1
275.20062	80.4
276.20416	11.8
293.21127	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.86063	1.0
53.03935	2.0
55.01865	1.0
55.05508	14.9
57.03428	2.2
57.07072	4.5
58.67919	0.8
59.04987	1.9
60.23935	0.8
60.90128	0.7
65.03944	0.9
65.90295	0.8
66.72532	0.7
66.95131	0.7
67.05495	12.4
69.03419	2.3
69.07065	100.0
69.72411	6.4
71.04981	2.1
71.08621	0.8
79.05489	5.5
81.03421	2.7
81.07054	32.7
83.04968	1.8
83.08619	6.2
85.02928	0.8
85.06535	5.2
91.05495	4.6
93.07046	11.6
95.04949	4.4
95.08601	27.2
97.06521	5.7
97.10177	3.3
99.08075	4.9
101.06030	2.1
103.05451	2.7
105.07026	7.5
105.92786	0.8
107.04963	3.2
107.08584	10.6
109.02837	1.3
109.06555	1.0
109.10145	13.0
111.08080	3.3
111.11710	25.8
117.07002	2.2
119.08564	7.0
121.06499	1.6
121.10126	10.3
123.08028	1.2
123.11702	7.1
125.09615	1.3
127.11177	1.4
131.04901	4.1
131.08588	1.6
133.02863	2.6
133.06517	1.3
133.10094	2.1
135.11679	5.9
137.05942	8.9
137.09637	1.4
137.13255	1.1
139.11166	15.7
141.56737	0.8
145.10136	2.0
147.04422	2.0
147.11667	2.7
149.09607	2.7
149.13246	3.1
151.07539	6.0
151.11143	1.6
151.14857	2.1
153.12759	2.2
157.12296	1.6
159.11693	1.4
161.13290	2.0
163.03864	0.8
163.07515	6.7
163.11209	1.1
163.14822	1.3
165.12704	1.7
167.14339	1.2
173.13289	1.6
175.07526	1.6
177.05513	1.7
177.16370	0.9
179.14383	1.6
187.07622	1.2
201.09135	1.0
205.06448	1.0
233.09505	0.9
233.15340	2.1
233.19052	1.1
237.09015	1.3
250.06221	1.1
265.08749	1.3
289.25253	3.1
293.08191	1.1
307.09546	1.1
307.26294	15.2
325.10764	2.3
325.13739	1.4
325.16333	2.9
325.20126	1.2
325.27301	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03951	7.1
55.01863	21.2
55.05518	31.2
55.29306	5.3
57.03409	15.2
59.42746	4.6
67.05499	76.5
69.07074	55.0
69.91557	23.3
71.04986	7.9
73.60542	5.1
79.05482	43.4
81.07055	100.0
83.04978	10.8
83.08611	20.9
83.61674	4.9
85.06532	11.7
89.64988	5.1
90.82841	5.1
91.05491	47.6
92.24142	5.8
93.07043	57.4
95.04976	20.9
95.08611	57.6
95.55267	5.2
97.06511	25.7
97.10181	13.1
99.08045	5.8
105.07018	34.9
106.07395	6.6
107.08600	43.6
109.06509	18.9
109.10149	24.0
111.04406	7.2
117.06989	8.9
119.08604	34.4
121.06512	7.3
121.10136	30.0
123.08065	17.3
123.11693	13.6
125.09660	12.2
131.08569	14.7
133.10155	30.4
135.08029	10.5
135.11674	34.2
137.09595	8.5
143.08606	5.4
145.10129	21.6
147.11671	19.0
149.09599	15.2
151.11212	11.7
153.12772	7.7
157.10117	8.4
158.82559	6.0
159.11697	11.3
161.13254	9.2
163.11143	11.0
165.12720	8.9
173.13203	7.0
175.11142	11.3
177.12590	5.9
197.13205	6.2
223.13235	6.3
227.12807	6.2
229.19603	6.6
239.17975	8.3
247.20575	6.9
257.19125	9.4
263.20050	14.8
265.21783	5.3
275.20123	56.5
293.21097	30.1
307.22601	16.2
320.91608	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.3
55.01871	6.4
55.05511	79.8
57.03433	12.5
57.07070	17.6
62.06084	37.5
63.75633	5.8
67.05499	100.0
68.05872	6.7
69.03416	8.1
69.07059	62.9
69.36890	17.8
69.37309	38.8
71.04995	10.2
71.08633	7.9
72.07199	5.6
74.14000	4.6
79.05489	55.0
81.07050	92.8
83.04981	24.5
83.08619	51.1
85.02914	7.5
85.06538	10.8
85.10178	11.1
91.05487	42.0
93.07055	59.0
95.04981	26.7
95.08604	50.8
97.06540	15.1
97.10171	24.1
98.52348	5.8
99.30343	6.3
105.07037	38.6
107.04966	10.9
107.08592	48.6
109.06514	14.8
109.10157	40.9
111.08127	8.1
111.11667	5.2
113.09650	7.8
117.07026	11.5
119.08603	18.5
121.06532	12.6
121.10153	25.9
123.08109	7.6
123.11725	14.9
125.09660	13.8
129.07072	5.9
131.08607	19.7
133.10107	49.4
135.08067	13.8
135.11649	27.2
137.09612	9.9
145.10126	16.5
147.08060	6.3
147.11707	10.9
149.09625	13.1
149.13245	6.6
151.11192	54.9
159.11708	6.5
161.13321	6.1
163.11180	19.5
171.11688	6.5
173.13268	9.2
177.12740	13.6
179.10696	9.2
181.12234	9.2
183.13844	14.3
191.14423	6.1
195.13737	6.2
199.51709	5.9
209.15289	7.0
229.19527	7.9
234.65271	6.6
245.16614	5.5
247.20525	26.6
257.18912	12.1
265.21616	14.5
270.95703	5.5
275.20050	71.7
293.21103	92.2
307.22772	17.7
325.23859	10.4
325.27460	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	325.216
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03938	5.7
55.01849	6.5
55.05511	34.6
57.03436	16.5
57.07082	5.8
59.84011	3.3
63.90851	3.2
65.03946	4.5
67.05505	88.1
69.03449	8.0
69.07066	37.7
70.32212	7.2
70.32609	7.9
70.98066	3.5
71.04968	3.8
79.05485	56.2
81.03410	3.7
81.06580	7.1
81.07050	100.0
83.04968	19.2
83.08623	20.5
85.06544	8.8
91.05470	50.7
93.07043	76.6
95.04964	93.2
95.08605	66.2
97.06519	23.4
97.10184	4.9
98.21371	5.5
99.08075	4.4
105.07030	55.8
107.08584	46.1
109.06522	17.2
109.10149	47.7
111.08086	11.9
117.07012	13.9
119.08582	62.6
121.06506	15.6
121.10133	53.3
123.08042	8.6
123.11675	13.6
125.09632	7.3
128.06248	8.7
129.06990	15.7
130.07796	4.3
131.08554	23.0
133.06470	4.2
133.10120	31.8
135.08052	10.6
135.11688	24.4
137.05983	5.4
137.09587	6.0
139.11186	5.5
141.06979	8.2
142.07771	14.6
143.08588	28.0
144.09326	9.8
145.10106	49.2
147.08032	10.8
147.11667	7.2
149.09576	9.0
149.13245	7.4
151.11200	6.6
153.09030	3.5
155.08516	13.6
156.09341	13.7
157.10129	35.9
159.08057	6.0
159.11679	27.6
161.09627	14.2
161.13266	4.0
163.11186	5.8
165.07053	4.5
167.08585	7.4
168.09314	6.6
169.10115	19.0
171.08058	5.9
171.11647	25.6
173.09598	15.1
173.13264	9.7
175.11134	6.1
175.14854	3.9
179.08571	9.5
180.09396	4.1
181.10123	18.7
182.10869	9.7
183.11649	23.7
185.13214	8.9
187.11183	12.8
187.14812	10.2
189.12711	4.1
192.09381	5.6
193.04944	5.7
193.10136	14.3
194.10884	9.1
195.11688	14.0
196.12425	8.8
197.13232	19.1
201.12752	5.1
203.14386	5.8
205.15822	4.4
206.10942	7.3
207.11716	16.6
208.12535	7.7
209.13254	18.1
209.41824	3.5
211.11205	5.0
211.14787	11.5
215.14410	4.5
215.17947	5.4
219.11795	5.5
221.13174	6.2
222.14063	5.3
223.14810	21.7
225.12741	6.4
225.16400	11.2
227.14288	5.1
233.13280	5.3
233.18983	7.3
234.13843	4.6
235.14729	5.7
237.16431	9.1
238.17001	4.1
241.15938	10.6
248.28009	3.9
249.16434	15.0
251.14311	10.5
259.14957	5.9
263.17834	5.7
264.18683	5.7
267.17410	10.9
269.15414	10.1
275.20239	3.5
278.95493	3.3
279.20874	4.2
293.79776	3.9
297.22122	6.2
307.20425	18.2
325.21207	76.1
326.21878	6.7
346.79648	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01863	1.3
55.05512	5.8
56.05028	2.8
56.96556	1.5
57.03425	2.3
60.04531	5.0
61.02899	1.9
67.05489	4.1
68.05025	1.8
69.03412	2.5
69.07076	5.3
69.24863	4.1
69.25289	6.1
70.02950	1.1
70.06581	2.9
71.04985	4.0
79.05491	20.2
80.05009	5.0
81.07040	4.3
82.06603	5.2
83.04990	1.4
83.08610	2.4
84.04509	1.6
84.08132	3.9
85.02915	5.9
86.06079	9.4
88.04003	5.6
89.02381	2.5
91.05474	12.6
93.07043	53.3
94.06561	2.4
95.01301	2.4
95.04965	4.6
95.08607	7.7
96.08114	4.5
97.02885	1.7
98.06042	4.4
98.09682	1.6
100.03967	3.1
102.05537	1.1
103.05467	2.5
105.07033	26.4
106.06555	1.1
107.08592	12.1
107.35524	0.9
108.08119	22.0
109.06518	1.5
109.10154	1.5
110.09701	5.4
116.06266	1.9
117.07010	1.4
119.08579	9.3
120.08115	1.4
121.06493	3.8
121.10147	71.9
122.09650	4.4
122.10440	1.8
123.08099	5.1
123.10471	2.2
124.07578	1.8
124.11227	2.5
129.07021	1.2
130.05005	73.7
131.08578	6.8
133.02884	1.3
133.10135	3.4
134.09644	4.6
135.11681	9.0
136.11197	3.6
137.05956	2.4
141.01801	3.5
148.11201	3.2
149.09618	69.1
149.11949	2.2
150.09982	2.8
150.12775	6.3
152.14342	100.0
154.08611	1.0
154.15887	8.4
167.10777	1.9
176.14374	9.5
178.15907	46.4
180.17461	8.0
194.81496	1.0
196.16974	46.8
209.09416	1.0
222.14900	74.8
222.18307	17.6
224.16487	12.1
227.14008	1.1
249.58609	1.2
263.21149	1.6
266.17520	43.4
278.31860	1.1
281.18613	43.8
283.20154	3.9
303.05057	4.1
325.13019	3.1
325.21219	42.3
326.06537	1.1
326.19498	1.5
341.08163	1.1
346.82611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01867	2.2
55.05503	4.8
55.50331	1.3
56.05033	3.8
57.03431	2.4
67.05499	3.5
68.05016	1.5
69.03422	4.7
69.07071	1.9
70.06589	4.8
70.74203	2.5
71.01343	1.6
72.08167	3.6
73.53430	1.5
77.03969	1.4
79.05492	16.9
80.04984	1.9
81.03412	1.9
81.07048	4.2
82.06568	1.5
83.04980	1.4
84.04499	12.8
84.08133	5.6
84.13908	1.2
85.02892	13.4
86.06062	5.6
86.09696	2.0
88.03986	13.9
91.05472	19.9
93.07043	50.3
93.07629	2.6
95.01315	6.9
95.04969	8.1
95.08591	6.0
96.08137	2.9
97.02892	1.9
98.06050	1.4
98.09703	1.7
102.05544	4.5
103.05454	3.4
105.04517	1.5
105.07018	24.5
107.04977	2.0
107.08596	7.8
108.08112	22.2
109.06477	1.6
110.09679	3.9
111.08102	1.3
112.03939	3.1
115.05451	1.4
116.06261	1.8
117.07024	1.8
119.04916	2.2
119.08591	15.2
120.08091	1.5
120.37983	1.2
121.06516	5.1
121.10138	88.8
122.09637	2.5
122.10477	3.4
123.08064	4.9
129.07030	2.3
129.10184	1.3
129.71573	1.2
130.04999	48.9
131.08563	9.3
133.02864	6.7
133.07620	1.6
134.09590	1.6
135.11710	4.3
137.05939	6.6
141.01828	4.7
145.02856	1.3
145.06500	1.5
147.04408	2.9
147.08064	8.0
147.09056	2.1
149.05998	2.1
149.09612	100.0
150.06735	1.4
150.09941	4.1
150.12773	8.8
151.13475	1.4
152.14339	86.8
154.15906	4.1
161.05945	1.9
163.03853	2.1
165.09189	2.7
166.15897	2.2
169.06596	1.2
175.07501	3.1
177.05478	2.2
178.15880	2.2
186.03130	1.4
191.08160	4.8
196.16956	41.2
201.05498	3.6
205.06551	3.4
218.07149	1.2
219.08191	1.9
222.06683	1.7
233.05954	2.7
235.07521	1.6
237.09164	2.7
247.07474	1.8
249.05476	1.9
261.05768	1.3
263.07123	1.8
264.07712	2.6
264.15982	6.3
265.08588	3.4
281.18588	54.5
283.20309	1.6
291.60297	1.2
292.07269	2.1
293.08020	3.6
295.06335	1.5
295.09695	3.3
307.09647	3.6
308.18460	3.0
325.10638	4.8
325.13852	2.1
325.21222	43.1
325.24985	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66781	1.4
53.03954	1.5
55.05509	4.0
56.05007	2.0
57.03432	1.7
60.04528	3.7
61.02921	1.8
68.05024	1.7
69.03431	2.0
69.07094	3.2
69.97485	7.4
70.02957	1.3
70.06584	4.5
71.01336	1.3
71.04969	1.6
72.08157	3.7
77.97659	1.2
79.05499	10.7
80.05014	1.4
81.03415	2.7
81.07060	6.5
82.06589	3.8
83.04926	1.9
83.08563	1.3
84.04489	2.4
84.08136	6.0
85.02931	3.3
86.06069	7.6
86.09729	1.6
88.03973	3.3
89.02419	2.2
89.03926	4.0
90.04271	3.0
91.05481	5.5
93.07044	20.5
94.06552	1.9
95.04971	2.0
95.08606	4.6
96.08145	1.6
97.02903	2.4
97.06494	1.6
98.09711	2.1
100.03970	2.0
100.07616	1.4
102.05486	1.6
103.05476	1.9
105.07014	6.0
107.08604	5.5
108.08118	27.7
108.08851	1.7
110.09679	6.0
112.11221	1.5
115.05474	1.4
117.03387	14.1
118.03722	11.0
119.04968	2.5
119.08585	4.6
120.08107	3.1
121.10152	10.6
122.06030	1.3
122.09668	4.8
123.10386	1.8
123.11745	1.6
124.11193	1.8
126.12760	1.6
130.05002	66.3
131.08530	3.3
133.02870	4.2
133.10068	2.1
134.03609	2.1
135.04430	1.9
135.11708	7.1
136.11217	1.8
137.06020	4.6
145.02844	19.6
145.06529	1.3
145.10088	1.9
146.03185	28.8
147.04391	1.9
147.09167	3.7
148.11230	2.0
149.05983	5.3
149.09624	12.2
149.11966	2.7
150.06403	3.9
150.12811	5.7
152.14346	100.0
154.15913	4.9
163.03862	2.6
163.07602	2.4
173.13358	2.1
175.07625	2.4
175.14813	3.8
176.14374	5.6
177.05469	32.2
178.05804	46.5
178.08282	1.8
178.15912	36.0
180.17448	7.7
187.05919	1.5
187.14922	1.7
191.08177	10.2
193.10904	1.7
196.16965	29.1
222.14891	58.3
222.18254	10.0
224.16481	7.9
237.09090	1.7
266.17517	18.5
281.18597	87.6
282.16702	3.1
307.09534	1.8
325.13895	3.6
325.17941	2.4
325.21335	34.0
326.19717	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	325.2008
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.75005	2.1
52.91841	2.1
53.03949	15.2
53.37265	2.0
54.12367	1.8
55.01870	6.8
55.05513	31.0
57.03433	11.1
57.07057	2.1
65.03933	4.7
67.05501	54.6
69.03423	8.2
69.07059	11.6
71.01358	3.4
71.04991	25.5
72.60288	2.1
73.02895	2.5
79.05485	57.5
81.03412	33.3
81.07055	100.0
83.04981	33.9
83.08606	7.3
85.02865	3.0
85.06547	2.6
89.41285	2.0
91.05482	35.4
93.07040	45.0
94.51638	2.3
95.04952	22.2
95.08602	39.5
97.06554	6.8
97.10162	3.9
99.08087	3.2
103.05502	3.6
105.07017	24.1
107.04964	21.4
107.08590	19.6
109.02847	3.2
109.06506	41.0
109.10140	10.4
111.08125	10.6
117.07014	13.1
119.04928	5.4
119.08576	19.6
121.06522	10.5
121.10124	17.9
123.04448	4.7
123.08034	16.3
123.11731	3.4
125.09650	3.3
127.70818	2.2
128.06242	2.5
129.06981	7.0
131.08553	14.0
133.06540	6.1
133.10120	15.4
135.08051	5.7
135.11674	10.1
137.05988	2.8
137.09579	2.6
139.06012	2.2
141.06995	3.6
143.08563	5.4
145.06476	7.5
145.10126	9.8
147.08046	7.0
147.11693	9.7
149.05975	3.8
149.09645	7.1
149.13298	3.4
151.07549	4.1
151.11079	3.2
154.07680	2.0
155.08549	4.2
157.10103	4.8
159.08069	8.7
159.11694	7.8
161.09650	6.4
167.10712	3.8
169.10167	6.5
171.11743	6.0
173.09628	4.1
175.07596	3.7
177.12759	4.9
179.10730	3.5
183.10263	4.4
183.11671	4.4
187.11118	4.6
187.14865	3.4
189.12848	2.8
191.14214	3.3
197.13228	3.7
207.13832	9.7
217.12303	2.6
219.13824	3.4
225.16354	2.4
231.13661	3.2
233.15352	3.8
236.54478	2.4
237.14839	5.7
243.17464	3.1
249.15031	2.8
260.23056	2.4
261.18494	8.8
271.16940	12.2
289.17963	38.4
307.19244	3.7
325.20099	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
53.03936	9.5
55.01876	37.5
55.05512	41.7
57.03429	41.2
62.08425	5.3
64.15868	5.1
67.05510	83.3
69.07056	23.5
70.71307	6.7
70.71647	15.1
71.04978	6.7
73.10840	5.9
79.05497	87.6
81.03419	12.5
81.07061	83.4
83.04987	42.3
83.08628	14.6
84.08170	6.5
87.44838	6.2
91.05476	81.2
91.78230	5.8
93.07040	66.8
93.27769	5.6
95.04970	67.5
95.08607	50.2
97.02926	9.0
97.06493	10.4
97.10220	9.8
98.07288	8.6
103.05442	6.9
105.07022	56.3
107.04950	100.0
107.08588	36.9
109.06519	47.3
109.10136	29.7
111.04484	5.9
112.05225	15.4
113.06004	6.2
115.05414	6.1
117.07027	43.1
119.08575	32.9
121.06503	29.8
121.10136	16.9
122.07330	28.2
123.08053	12.8
125.05988	7.3
129.06987	15.1
131.08591	33.7
133.06519	30.0
133.10135	16.8
135.08043	26.0
135.11670	16.0
137.05972	6.7
137.09627	21.9
143.08562	16.6
145.06514	26.3
145.10123	23.5
147.08043	41.2
149.09612	7.0
155.08443	6.0
159.11681	9.9
160.87128	6.1
161.09625	25.7
162.10365	8.0
162.83148	6.2
163.11243	9.6
165.09135	9.8
169.10147	6.4
171.11652	10.7
172.22420	5.9
173.13295	14.8
187.14789	10.9
205.15944	16.2
215.14325	14.5
233.15350	95.6
251.16441	7.5
290.18594	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	325.2007
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03936	11.7
54.86623	3.7
55.01863	20.2
55.05505	44.3
56.68899	4.4
57.03444	21.8
58.47154	4.5
59.04990	6.5
59.48653	4.2
65.03926	7.4
67.05507	91.4
69.03437	22.8
69.07066	31.2
71.04976	18.4
77.03942	4.1
79.05489	75.7
81.03400	17.9
81.07057	82.5
82.04207	10.3
83.04991	30.4
83.08607	17.6
85.02908	10.3
85.06569	9.2
86.09703	34.7
87.10023	15.0
91.05476	100.0
93.06490	4.8
93.07043	73.9
94.04181	5.2
95.04968	62.2
95.08601	47.9
96.05744	15.4
97.06532	25.4
97.10178	12.4
98.21541	9.8
99.08087	12.8
103.05454	6.3
104.63931	4.3
105.07027	66.1
107.04952	52.7
107.08595	46.2
108.05693	6.4
109.02845	4.3
109.06514	40.2
109.10170	21.7
111.04427	6.1
111.08107	6.9
113.06030	5.1
113.07280	4.6
115.05444	9.5
116.06203	4.1
117.07008	28.7
119.08569	41.3
121.06506	43.5
121.10144	23.3
123.04420	9.1
123.08104	19.5
123.11696	10.0
125.09595	6.2
126.14642	4.3
128.06212	6.2
129.06972	10.7
130.48470	4.4
131.04956	6.3
131.08585	53.4
132.10216	8.0
133.06520	19.8
133.07391	4.5
133.10114	33.7
134.10635	4.4
135.08084	26.5
135.11684	11.9
137.05946	7.5
137.09613	11.8
141.06921	4.3
143.08562	17.7
145.06450	6.4
145.10097	26.9
147.08060	20.2
147.11685	13.8
148.12010	4.9
149.09630	17.4
149.13261	5.5
151.11171	29.5
152.11575	13.6
155.08508	7.6
157.06404	5.6
157.10118	12.0
159.08040	13.5
159.11685	14.0
161.09595	13.8
162.36241	4.4
163.07542	6.7
163.11101	7.5
169.10144	8.2
171.08070	4.0
171.11754	7.9
173.09610	8.1
173.13281	12.1
175.07578	5.2
175.11246	4.7
177.09094	4.3
178.13506	5.0
180.11424	6.3
183.11662	10.1
185.09645	8.1
185.13263	7.9
189.12737	4.5
191.37747	4.1
197.13348	6.4
201.12724	8.4
203.14226	5.1
206.13152	4.4
207.13730	4.9
219.13773	8.4
233.15363	6.1
249.14850	6.0
254.58868	4.5
261.18506	4.9
273.18481	90.3
279.21487	8.3
289.18115	8.7
291.19540	13.7
307.18906	5.1
325.14432	8.6
325.19907	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	325.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
55.02984	1.3
55.05503	11.5
60.05631	3.8
64.92727	0.8
70.06592	2.0
70.61406	2.5
72.08150	16.8
79.44014	0.9
89.03918	2.4
91.05493	1.6
91.15257	0.9
97.07622	4.8
98.06046	40.0
109.85166	0.8
113.10766	1.7
113.59927	0.9
114.09158	4.4
114.10284	19.0
115.08688	18.4
117.03374	11.8
119.04960	1.7
131.12927	3.5
141.40303	0.9
145.02841	49.7
146.03122	1.5
149.05986	5.1
151.07516	3.7
152.07016	1.0
156.11324	2.7
157.10838	77.5
173.13954	4.9
177.05458	100.0
178.05815	1.7
186.05598	1.1
194.10397	1.2
211.30435	1.0
232.12260	0.8
236.10347	2.0
247.14326	5.0
248.12843	3.7
290.14954	13.6
307.17621	37.3
325.18686	75.4
326.18927	2.1
338.16229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65099	0.6
67.05496	1.3
69.07049	0.8
69.81400	1.4
69.81805	4.1
71.54772	0.6
72.08168	0.8
72.41000	0.6
73.16946	0.6
78.03256	0.7
79.05476	1.1
81.07075	1.2
83.04974	1.0
89.80437	0.7
91.05476	1.4
93.07018	1.4
95.08582	0.7
98.21479	1.2
104.16859	0.8
105.07061	1.0
107.08545	0.9
111.63737	0.7
133.02867	1.1
137.05974	3.0
139.90555	0.7
163.03784	0.8
169.06467	0.8
175.07545	1.9
181.00113	0.6
234.48215	0.8
251.11227	1.1
269.12384	0.8
270.06653	0.7
281.17291	4.1
294.24600	0.7
325.16223	100.0
326.16568	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	325.162
Annotation	Istamycin FU-10
Peak:m/z	Relative Intensity
50.37038	0.3
55.05503	0.5
57.03437	0.4
57.33188	0.3
57.61534	0.3
67.05489	1.2
69.03421	0.5
69.07057	0.7
71.58218	0.7
72.08138	0.3
79.05481	0.9
81.07053	1.5
83.04971	0.4
85.06533	0.4
91.05465	1.1
93.07036	1.4
95.04961	0.6
95.08612	1.0
105.07019	0.8
107.04885	0.4
107.08601	0.5
109.06497	0.4
109.10165	0.4
117.07018	0.5
118.35962	0.4
119.08589	0.7
121.10099	0.5
123.11767	0.5
125.32639	0.4
128.30746	0.4
131.04904	0.5
133.02820	0.5
135.04463	0.4
137.05974	1.1
149.09549	0.4
151.07559	0.6
161.25729	0.3
163.07491	0.4
168.99283	0.3
175.07515	0.6
189.63019	0.4
233.06026	0.4
239.11279	0.4
251.11287	0.7
265.08649	0.5
269.12347	1.4
281.17191	3.9
287.13354	0.9
293.08017	0.5
293.11392	0.4
325.16214	100.0
326.16537	3.5
335.23749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Glabridin
Peak:m/z	Relative Intensity
50.84391	1.0
55.01859	3.4
55.05507	5.3
56.96557	1.4
57.03433	2.1
57.07058	2.0
58.83488	1.1
61.73247	1.1
64.82430	1.1
65.03947	1.1
67.05508	6.3
69.03429	2.0
69.07064	18.2
69.71146	8.2
70.06568	1.5
71.04998	1.3
72.08163	1.9
76.08494	1.1
79.05486	5.6
81.03422	2.5
81.07053	14.4
82.76572	1.1
82.90707	1.0
83.04982	1.5
83.08610	2.3
84.04491	3.9
84.08139	3.6
85.06532	5.4
91.05486	11.3
93.07044	8.3
94.04184	4.0
95.04968	4.4
95.08617	10.3
97.06512	1.3
99.08105	1.4
100.07615	3.7
101.05988	2.6
103.05451	9.9
105.07017	6.7
107.04950	3.6
107.08604	6.3
109.06533	5.1
109.10163	5.0
111.08086	3.4
111.11720	3.6
112.11244	1.7
115.05461	11.7
117.03326	1.6
117.05508	1.3
117.07027	10.6
119.04927	2.0
119.08557	7.8
121.02861	1.5
121.06458	2.0
121.10143	5.3
122.03642	8.7
123.04416	1.3
123.08089	2.8
123.11739	3.5
125.09537	1.0
128.06230	4.5
129.06985	10.3
131.04913	19.5
132.05672	5.5
133.02879	3.5
133.06490	1.8
133.10114	1.4
135.08101	1.2
135.11720	3.5
137.05971	100.0
137.09589	1.9
139.11201	2.7
141.06978	14.9
143.04915	1.2
145.06485	3.0
145.80711	1.1
147.04420	2.1
147.08041	27.0
147.11653	1.2
149.05984	1.8
149.13275	1.7
150.06712	1.2
151.07565	4.0
153.12692	1.2
157.06512	4.6
158.07317	1.9
159.11620	1.6
160.05215	4.8
161.05946	8.7
162.06668	1.8
163.03769	2.2
163.07545	18.2
163.11169	1.4
165.06982	1.9
169.06483	25.3
173.06006	1.6
175.07538	95.0
176.06253	1.4
176.07864	1.5
177.05489	2.5
177.06972	1.8
177.08926	1.1
179.14421	1.9
186.03151	4.6
186.06740	2.5
187.07562	4.9
188.08331	1.4
189.09100	13.3
191.08153	1.6
193.08611	1.4
194.07278	2.6
201.05464	7.1
201.09122	13.3
205.06483	4.9
205.10176	2.6
206.07256	1.4
207.08057	2.4
218.07167	2.8
219.08006	2.7
221.05858	1.9
221.09535	1.4
222.06763	4.9
233.05984	4.8
233.09616	5.2
234.06754	1.9
235.07478	2.6
236.08191	1.2
237.09158	4.1
245.19106	1.2
247.07593	1.7
249.05469	3.4
250.06300	6.1
251.11726	1.6
261.09036	4.3
264.07944	2.9
265.08646	8.5
265.12231	3.3
267.06628	1.6
277.05026	2.1
278.05624	2.5
279.10181	1.4
281.50436	1.2
292.07318	4.7
293.08075	9.5
293.11609	4.5
297.11264	3.1
307.09644	11.5
307.12839	1.9
307.26315	1.5
310.08167	2.3
325.10739	11.3
325.14359	46.5
326.14481	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
55.01870	0.4
56.96562	1.0
57.03428	0.4
57.91424	0.3
61.02926	0.7
69.03413	1.2
69.74290	2.4
70.06587	1.5
70.26641	0.3
72.08147	0.9
73.02927	0.4
74.06077	0.6
84.04452	0.4
84.08154	2.1
84.51151	0.3
85.02899	1.9
86.06099	0.4
86.09699	0.5
91.05481	1.0
95.04956	0.3
97.02898	1.0
98.31174	0.3
98.97594	0.5
109.02912	0.4
110.07182	0.7
116.98656	0.4
117.05737	0.3
117.72773	0.3
118.06535	4.7
123.06673	1.0
127.03944	0.5
129.10266	0.7
133.07593	5.4
134.99680	0.4
144.97905	0.3
145.07607	100.0
146.08398	2.5
147.09143	0.8
150.05492	0.3
150.07738	1.3
151.04935	0.6
151.06154	0.5
152.05664	5.3
153.04211	0.4
153.06459	4.8
163.05034	1.0
163.08667	61.5
164.09016	0.7
166.07263	0.4
176.05724	0.9
180.09087	0.4
193.08348	7.7
208.14484	0.5
252.04662	0.3
307.17477	0.4
325.13940	64.5
326.14258	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01664	0.3
55.01874	2.5
57.03428	2.7
59.04986	0.4
61.02919	0.8
68.81908	0.3
69.03430	15.7
70.06588	0.4
70.85190	0.3
71.01340	1.2
71.04988	4.4
71.21358	0.8
72.08128	0.8
73.02901	0.9
75.04455	0.4
81.03415	17.3
81.07042	0.3
87.04456	0.4
91.05470	1.6
93.07021	0.6
99.04467	5.7
114.10313	0.5
115.08678	0.4
116.04976	1.0
117.05499	2.1
118.06544	6.5
120.08045	0.4
125.37607	0.3
130.05037	0.5
137.06013	0.6
141.09286	0.3
145.02867	0.5
145.07602	7.5
146.57802	0.3
147.07991	0.5
147.09163	9.7
149.09750	0.5
152.14352	0.7
152.47665	0.4
161.07137	0.5
162.07887	1.5
163.08672	1.2
173.07111	12.6
175.07341	0.5
175.08691	5.9
177.05476	1.0
185.07150	0.4
187.08636	0.5
191.08153	100.0
192.08430	1.3
203.08192	0.6
205.09731	0.8
213.10283	0.5
215.11783	0.7
231.11234	0.7
233.09180	1.1
254.00356	0.3
266.13721	0.4
271.10959	0.8
281.18579	0.7
289.11896	1.6
292.15381	0.4
301.60388	0.3
307.12878	24.2
308.13104	0.4
325.13940	12.9
325.18265	1.1
347.40948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
55.01876	2.1
55.05504	2.3
56.66413	1.3
57.03417	2.8
59.40546	1.5
61.02922	1.5
67.05488	1.5
69.03429	16.9
70.06580	2.2
71.01359	1.3
71.04981	3.6
72.08149	3.6
79.05473	2.9
81.03419	17.0
81.07038	2.6
83.04992	1.4
84.08131	1.8
85.02927	3.2
91.05453	5.2
93.07027	5.1
94.26021	1.2
95.04974	2.5
96.83179	1.2
98.09660	1.4
99.04442	7.4
105.07034	3.0
107.08598	2.8
108.08095	2.4
109.06509	2.0
117.03329	3.4
118.03716	2.1
118.06538	6.4
119.08552	3.3
121.06528	1.4
121.10123	6.3
130.04999	6.8
131.08542	2.1
133.02814	4.9
133.10127	1.7
137.05934	7.8
145.02835	4.7
145.07619	10.2
145.10052	2.1
146.03181	3.1
146.20874	1.2
147.09181	7.9
149.09587	4.7
152.14311	6.7
153.05489	1.5
173.07133	13.5
173.13316	1.8
175.08725	7.4
175.11098	2.4
177.05475	8.1
178.05814	7.5
178.15865	4.2
185.72345	1.3
191.08159	100.0
196.16951	3.4
222.14886	4.3
229.13499	1.7
266.13950	2.6
266.17639	2.7
281.18546	5.8
289.11823	1.6
307.09506	1.7
307.12799	25.8
325.13745	14.8
325.17889	2.7
325.21564	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01844	0.7
55.05513	3.8
56.96553	0.9
57.03418	1.9
60.04521	1.5
61.02900	1.4
63.94392	0.9
65.03934	0.7
67.05489	1.6
68.99791	0.8
69.03432	4.4
69.07063	3.3
70.06563	1.7
71.01340	1.7
71.04978	2.3
71.47734	1.3
73.02914	0.9
77.10938	0.6
77.30905	0.6
77.79824	0.7
79.05492	19.8
80.04988	1.3
81.03416	1.1
81.07063	3.3
82.06573	2.4
83.04978	0.7
83.08627	0.7
84.08131	2.0
85.02901	6.6
85.52377	0.7
86.06059	5.1
88.03987	2.9
89.02390	1.3
90.07433	0.8
91.05470	15.0
93.07040	50.1
95.01331	3.9
95.04971	4.8
95.08601	5.6
96.08144	2.0
97.02856	1.3
98.06046	1.8
98.09711	0.9
100.03989	0.8
102.05507	0.7
103.05464	3.8
105.07025	31.9
106.06585	1.1
106.07807	1.8
107.04922	1.2
107.08600	7.2
108.08125	9.6
109.06514	3.3
109.08916	0.9
110.06072	1.4
110.09674	2.3
111.04449	0.8
115.05453	1.6
116.06206	2.0
117.06979	0.9
119.08570	10.1
119.18489	0.7
120.08096	0.8
121.06533	5.1
121.10138	100.0
122.09637	2.1
122.10440	2.0
123.04424	1.0
123.08060	7.0
124.11232	1.1
129.06993	1.2
130.04999	30.0
131.08559	9.4
133.07610	2.1
133.10149	1.9
134.09683	1.5
135.11699	3.7
137.05974	1.7
137.37605	0.6
139.11185	0.7
141.01819	5.1
145.06454	1.0
145.10153	1.3
147.08026	1.1
148.11214	1.2
149.09612	89.6
150.09895	1.1
150.12788	2.0
152.14337	35.3
154.15883	2.9
159.11754	1.0
161.13385	0.8
162.80606	0.6
167.10678	1.6
175.04028	0.8
176.14316	2.9
176.91821	0.8
178.15907	17.5
180.17516	2.1
196.16954	21.7
215.10562	1.0
222.14894	30.2
222.18352	6.9
224.16461	3.2
237.83894	0.8
248.36017	0.7
266.17532	15.2
272.71201	0.7
281.18594	18.4
281.21750	0.6
283.20203	1.5
303.04922	1.7
307.20248	1.0
325.12878	5.2
325.21210	14.4
326.06549	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2894
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.44636	0.8
54.62561	0.6
55.01877	1.0
55.05505	8.8
57.07075	1.7
62.06088	100.0
63.19884	0.8
63.81005	0.8
67.05502	24.9
69.07067	7.6
71.04997	1.3
71.57532	0.7
71.57968	1.3
79.05498	6.3
81.07056	20.6
81.07526	1.2
82.07407	0.8
83.05003	1.1
83.08624	6.4
85.10223	0.8
91.05474	5.4
92.29478	0.7
92.46117	0.7
93.07047	6.9
95.04993	2.1
95.08609	17.3
95.09172	1.3
96.08966	0.9
97.06537	1.3
97.10184	1.8
100.07639	0.7
105.07078	3.9
107.08590	5.1
109.06544	1.6
109.10160	6.8
119.08601	2.8
121.10169	2.8
123.11737	1.7
131.08580	1.7
133.10170	2.3
135.11739	1.7
137.09605	1.2
143.08646	1.1
145.10182	1.0
147.11659	1.7
161.13254	0.9
163.14804	0.8
175.14818	0.8
244.52188	0.9
245.22742	1.9
263.23795	1.1
275.20163	1.8
293.21216	1.7
306.27814	3.7
307.22946	1.5
307.26559	3.1
324.28973	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	324.2897
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.03938	0.4
55.01867	0.7
55.05515	6.4
56.45142	0.3
57.07071	1.3
62.06089	100.0
63.06418	0.6
65.03925	0.5
67.05505	18.2
69.07069	6.3
69.50594	2.9
70.02958	0.9
71.08640	0.7
77.11687	0.4
79.05492	4.5
81.07057	18.2
82.07404	0.4
83.05006	0.5
83.08621	3.3
85.06553	0.5
88.04018	0.4
91.05494	3.2
93.07043	4.5
95.04984	0.8
95.08606	15.3
97.06554	1.5
97.10157	1.8
98.06069	0.8
105.07018	1.9
107.08567	2.2
109.08484	0.3
109.10154	5.2
114.17611	0.3
119.08575	1.7
121.10147	2.0
123.11726	1.4
125.03065	0.4
133.10184	1.4
135.11739	1.2
137.13290	0.7
144.10271	0.5
147.11731	0.8
149.13268	0.6
151.11188	0.5
151.14920	0.6
155.53764	0.3
161.13293	0.9
165.34723	0.3
175.14929	0.7
179.18076	0.5
235.42245	0.4
245.22624	1.7
263.23837	1.3
275.20453	0.5
306.27853	3.4
307.26245	3.2
324.28973	10.9
325.29257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1954
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03941	0.8
53.17459	0.4
56.20008	0.4
71.58412	0.7
77.03944	0.6
79.05491	22.6
81.07069	0.5
91.05453	1.2
93.07053	2.1
94.07378	0.5
95.04962	1.7
95.08595	0.5
100.61052	0.5
103.05460	42.2
104.05767	0.8
105.07009	3.5
106.59156	0.4
107.04948	23.8
108.05259	0.5
117.03396	0.5
118.06536	6.3
120.47391	0.4
121.06487	1.5
131.04922	13.7
132.08089	2.2
133.08847	1.0
134.09634	1.0
145.02841	0.9
146.03198	1.0
146.09584	2.6
149.06026	0.6
160.11185	1.0
176.14340	51.9
177.05461	1.4
177.06934	0.5
177.14691	0.7
178.05818	2.1
189.15175	0.6
201.95222	0.5
233.13968	0.7
269.37311	0.5
280.13251	0.6
283.06393	0.6
301.07477	0.9
324.19556	100.0
325.19888	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2167
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01871	2.1
55.05506	3.4
59.18369	0.7
60.41017	0.8
67.05502	5.8
69.03416	1.3
69.07067	10.1
69.97445	0.9
71.57796	1.3
79.05495	6.7
81.07058	10.6
83.04972	3.9
84.04465	0.8
86.09702	100.0
91.05482	10.4
93.07037	13.5
95.04958	5.0
95.08593	4.7
97.02919	0.7
97.06522	1.4
100.07613	1.3
100.48650	0.7
105.07033	14.9
107.04944	2.0
107.08618	4.5
109.06518	10.2
109.10154	2.4
111.08092	3.3
114.43222	0.9
117.07030	1.3
119.08570	5.1
121.06525	1.2
121.10123	1.5
123.08060	2.0
128.10739	4.3
129.06993	1.4
131.08586	5.4
132.10199	26.2
133.06473	1.1
133.10127	16.8
137.05974	1.2
145.02870	1.5
146.03215	1.8
147.11687	13.5
149.09647	2.1
149.13300	1.4
151.07568	3.3
151.11176	44.0
156.10220	1.1
157.10075	1.0
159.08034	1.3
165.12727	1.7
175.11206	3.8
177.05464	3.1
178.05901	4.6
193.12244	4.0
206.59117	0.8
222.15073	1.1
228.04903	1.1
250.14432	2.0
260.20084	5.8
273.18484	2.1
278.21140	25.0
283.51755	0.8
292.10449	1.2
306.20432	3.8
307.27417	1.3
324.21686	12.0
348.18533	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.05507	0.5
56.05032	0.4
58.71999	0.3
61.33585	0.3
63.02364	0.4
66.69472	0.3
67.05496	0.4
69.07056	0.4
69.53743	1.8
69.54171	1.1
70.06586	1.4
72.08154	1.8
78.04681	0.4
84.04488	1.6
84.08133	1.0
86.07171	0.5
86.09708	0.6
89.03918	9.2
91.05474	2.0
93.07038	1.1
95.04989	0.5
100.07633	1.1
103.05509	0.5
106.04144	0.4
107.04961	0.5
108.08118	0.4
110.06054	1.0
110.07108	0.5
110.09673	0.4
114.10301	0.6
115.05466	0.4
117.03377	27.1
120.08085	0.7
121.06512	0.5
121.10148	0.5
123.04450	0.6
124.05238	0.5
130.05009	2.1
131.12914	0.5
133.02811	1.0
134.03691	2.1
135.04425	2.6
137.05995	0.8
138.06232	0.3
145.02843	61.0
145.34532	0.4
146.03194	1.1
147.04451	0.6
148.04771	0.5
149.05981	9.2
149.09598	0.7
150.06354	0.4
151.03981	0.5
152.14362	1.2
155.03384	0.5
158.11205	0.4
161.05954	0.5
162.03189	0.5
163.03897	1.2
175.76054	0.4
177.05467	100.0
178.05804	3.4
178.15971	0.6
180.13867	0.8
186.05513	1.2
191.08209	0.7
193.04958	0.4
194.05383	0.8
196.16959	0.5
222.14943	0.8
232.08414	1.0
249.08731	0.5
264.10895	0.6
281.18546	0.9
292.10464	1.6
307.17484	0.6
307.27551	0.6
324.09341	0.5
324.13019	1.0
324.17432	1.2
324.30249	0.4
325.21378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1955
Annotation	CW 69D
Peak:m/z	Relative Intensity
53.03923	0.8
53.55419	0.3
54.56532	0.4
55.01861	0.7
67.05489	0.8
70.98106	0.7
70.98470	0.6
76.42638	0.4
79.05490	20.7
81.07051	0.5
83.04941	0.4
85.02883	0.4
91.05470	1.4
93.07046	2.3
93.51324	0.4
95.04967	2.0
100.07597	0.6
103.05462	39.1
104.05772	1.0
105.07008	2.9
107.04948	22.7
108.05280	0.5
109.10178	0.4
117.03313	0.4
118.03758	0.5
118.06536	7.5
121.06490	1.5
121.10121	0.5
131.04926	12.8
132.08075	1.4
133.08855	0.7
143.35573	0.4
143.40498	0.4
145.02838	0.7
146.03177	0.6
146.09622	1.7
148.05629	0.4
149.05942	0.9
151.03813	0.6
160.11212	1.6
176.14337	54.3
177.05510	0.8
177.14757	1.0
178.02881	0.5
178.05800	1.3
189.14966	0.4
200.53014	0.4
206.15266	0.4
228.05043	0.5
233.14082	1.0
237.47163	0.4
266.11578	0.5
289.14340	1.3
324.19556	100.0
325.19818	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	324.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94967	0.7
53.03952	1.0
55.02964	0.8
55.05496	2.2
59.04863	1.3
60.05641	2.8
70.06592	4.0
70.12283	4.2
71.06911	0.8
71.37551	0.8
72.08153	7.3
73.08478	2.1
76.03983	0.9
84.04494	2.9
84.08132	0.9
85.04028	1.3
86.07178	4.2
86.09707	1.3
87.07966	3.4
89.03922	8.6
91.05462	2.2
95.04971	0.9
97.07678	1.1
98.06061	1.5
98.97572	0.8
99.06385	0.9
100.08724	1.1
103.05491	0.8
107.04988	1.1
112.03891	1.0
112.08693	0.9
114.10310	4.9
115.08707	1.3
115.10636	2.3
117.03384	28.4
118.03715	1.2
119.06876	0.9
120.08074	0.8
121.06492	1.0
122.32695	0.8
129.10292	0.9
130.04990	2.9
131.12985	5.0
133.02841	4.5
133.03671	0.8
134.03281	3.1
135.04393	3.2
136.07545	0.8
137.05939	1.4
138.06352	1.5
145.02847	61.5
146.03178	1.3
146.05957	1.0
147.09137	1.1
149.05986	8.7
151.58115	0.7
157.10875	2.5
161.02344	1.5
162.02675	1.7
163.03931	1.0
165.05397	0.9
166.41277	0.8
174.48343	0.7
177.05473	100.0
178.05818	3.2
179.03329	1.2
186.05534	1.2
191.08116	2.4
193.04973	2.0
194.05325	4.4
200.26103	0.8
201.32936	0.8
233.09987	0.9
265.12640	1.8
281.15186	1.0
292.14819	3.1
293.15637	2.1
306.16501	1.8
307.17545	4.9
324.10535	1.7
324.17651	10.1
325.18762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90716	2.0
51.02350	2.1
53.03946	3.2
54.02600	1.8
55.01855	5.7
55.05511	30.9
57.03419	7.3
57.07060	6.2
62.17953	1.9
67.05502	29.7
69.03406	8.8
69.07066	49.2
71.04993	4.5
71.50425	4.6
72.08125	3.0
79.05489	23.4
81.07056	100.0
83.04959	9.0
83.08615	32.0
85.06533	10.7
91.05469	12.6
93.07035	33.7
94.04177	2.3
95.04960	14.6
95.08602	36.1
97.06515	9.3
97.10156	5.0
99.08080	6.8
105.07027	27.8
107.04961	3.0
107.08585	30.0
109.06507	6.7
109.09465	3.5
109.10155	45.2
111.04433	2.6
111.08060	10.2
111.11732	3.3
115.05434	4.1
117.06981	2.8
119.04951	5.2
119.08569	15.6
121.06525	4.1
121.10133	28.3
122.03651	3.0
123.04402	2.6
123.08037	7.6
123.11713	28.3
125.09631	6.2
127.11209	5.6
131.08510	4.7
133.06490	6.8
133.10107	9.3
135.08115	5.1
135.11693	10.1
137.05971	39.0
137.09612	3.9
137.13274	4.7
139.11201	12.3
145.02814	2.5
145.10127	5.9
146.03615	3.2
147.04404	17.4
147.11656	9.3
149.06004	2.5
149.09618	5.4
149.13268	7.4
150.35895	2.1
151.11209	3.4
155.10637	2.4
157.10117	2.7
159.11667	7.1
161.05980	48.0
161.13234	4.8
163.11165	5.2
163.14774	3.5
165.12796	2.8
167.10693	8.2
167.14325	3.1
173.13254	4.6
177.05452	5.6
177.12759	3.3
177.16409	6.0
179.14330	3.7
184.05264	2.4
189.16478	2.2
191.08560	2.2
193.12167	2.2
193.50143	1.9
195.13760	2.2
199.07440	11.3
199.14822	3.7
202.07790	13.1
203.08568	28.2
205.06453	3.6
219.08032	7.5
220.08827	7.4
225.14690	2.4
230.07330	2.5
231.08020	33.3
232.08725	6.4
235.11299	2.9
243.08592	2.3
247.07536	7.5
248.08334	19.0
249.08916	4.7
258.06732	2.5
259.07547	25.9
260.08267	15.7
263.10706	13.9
263.20023	3.7
275.06970	2.9
276.07898	12.0
277.08456	6.3
287.20187	3.7
287.23682	5.3
291.10147	53.4
292.10684	9.7
293.08047	4.6
295.13278	3.2
305.24652	22.1
307.09839	2.4
308.10162	3.1
323.09390	2.7
323.12726	44.5
323.25800	31.4
324.13226	4.7
332.11026	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.9
55.01865	12.6
55.05508	49.3
57.03422	7.0
57.07053	2.9
61.04667	2.2
65.03928	3.3
67.05504	70.3
69.03422	6.6
69.07065	26.4
69.86501	11.5
71.04990	5.1
79.05494	55.1
81.03417	3.9
81.07053	67.4
83.01334	5.3
83.04981	18.0
83.08603	13.0
85.02898	4.9
85.06542	6.4
88.47750	2.6
91.05482	56.4
93.06476	3.9
93.07040	59.6
93.44552	1.9
95.04974	22.8
95.08054	3.6
95.08607	44.5
97.06512	10.3
97.10155	9.4
103.05482	3.2
103.46289	2.2
105.07027	48.2
106.31278	2.4
107.04958	13.3
107.07880	3.0
107.08588	38.0
109.06520	18.9
109.10154	38.5
111.04428	9.0
111.08065	16.1
117.06997	11.9
119.08578	26.3
121.06499	23.0
121.10126	17.1
123.04353	4.9
123.08050	9.4
123.11671	13.1
125.05993	4.1
125.09587	4.1
128.06227	3.6
129.07062	10.6
131.08580	16.6
133.06494	14.4
133.10129	59.9
135.08040	7.9
135.11723	11.3
137.05928	6.3
137.09596	5.0
139.07524	9.8
143.08551	10.2
145.06450	2.7
145.10141	14.0
147.08051	15.0
147.11665	11.8
149.09599	10.5
151.07500	2.7
151.11172	50.7
157.10100	6.3
159.08035	3.1
159.11702	5.4
161.09636	17.0
161.13290	5.6
163.11137	3.9
165.09052	3.8
165.12790	2.5
171.11700	8.0
171.80913	2.4
173.09595	3.1
173.13339	3.2
175.11197	10.3
177.09109	3.0
177.12787	2.6
177.51003	2.4
179.10686	5.0
181.08636	3.6
183.13799	16.8
185.13255	4.7
187.11240	2.5
189.12723	8.6
199.11313	3.6
203.14307	5.2
207.13811	4.8
213.12663	2.9
217.12286	4.3
227.17924	5.7
229.14116	3.4
235.13116	3.1
245.18976	18.3
255.17429	7.6
263.20053	20.4
273.18478	42.6
277.21466	2.4
291.19543	100.0
305.21075	7.5
323.22235	34.9
337.92975	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03941	3.7
55.01151	1.3
55.01862	5.8
55.05509	28.8
57.03431	4.5
57.07072	5.7
59.04996	3.3
65.03949	2.7
66.56123	1.2
67.05171	2.3
67.05506	31.5
69.03423	7.2
69.07067	49.7
70.06569	2.7
71.04985	5.3
72.08134	1.5
73.60160	1.3
79.05489	23.3
81.03418	3.9
81.07056	100.0
83.04986	6.3
83.08614	12.0
83.64118	1.6
85.06544	13.7
87.04457	2.1
89.03933	1.5
91.05469	20.3
93.07042	47.6
95.04979	19.5
95.08606	66.3
97.02888	2.3
97.06530	8.1
97.10169	32.7
99.08099	3.4
103.05460	2.4
105.07024	27.5
107.04975	3.3
107.08589	29.1
108.31722	1.5
109.06490	10.2
109.10155	27.5
110.10555	1.6
111.04433	1.6
111.08066	15.1
111.11716	6.5
115.05460	1.9
117.06979	2.0
119.04977	2.1
119.08578	17.1
121.06478	2.0
121.10135	34.0
122.10473	2.2
123.08080	5.4
123.11709	39.7
124.12082	1.6
125.09628	11.9
127.07571	3.0
129.06985	1.7
131.08560	4.7
133.06516	3.2
133.10149	9.0
135.08047	2.8
135.11699	14.7
135.59242	1.7
137.05977	13.8
137.09637	2.9
137.13243	9.6
139.11176	16.8
143.03372	1.5
143.08560	2.4
143.10661	8.3
145.02847	2.8
145.10144	7.5
146.03671	1.7
147.04433	7.6
147.08090	2.8
147.11681	13.0
149.05984	2.4
149.09628	3.3
149.13235	10.0
151.11142	3.6
153.12747	3.6
157.10085	2.4
157.12239	3.5
159.11716	9.1
161.05969	15.9
161.13261	6.8
163.11223	4.7
163.14870	3.5
165.12770	6.6
167.05101	1.6
167.10728	3.7
171.11694	2.7
173.13303	3.2
175.14845	4.5
177.05510	6.6
177.12759	2.1
177.16409	2.4
187.14801	2.1
189.04105	1.4
189.11208	1.9
189.16438	4.3
199.07552	5.6
202.07852	7.2
203.08546	9.4
205.06456	1.5
213.16371	2.8
219.07953	4.0
220.08867	2.9
227.18039	1.8
230.07162	1.8
231.08026	14.4
232.08784	2.5
235.02597	2.5
247.07669	4.1
248.08322	7.7
259.07547	7.8
260.08344	4.2
263.10678	5.9
276.07849	5.2
277.08420	2.3
277.25381	2.6
287.23737	4.7
291.10153	25.3
291.13092	2.6
292.10489	3.3
293.08084	2.6
305.24625	10.1
308.10541	1.8
309.02734	3.8
323.09259	2.7
323.12744	15.5
323.16586	2.6
323.25830	14.3
324.05005	9.5
324.13174	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.3
55.01857	14.0
55.05522	35.8
57.03422	6.5
67.05509	71.9
69.03425	12.3
69.07080	24.7
69.07397	4.7
70.04684	18.5
71.04977	5.3
74.12004	3.9
74.67353	4.4
79.05488	65.0
81.07054	81.1
83.04987	32.2
83.08640	11.7
85.06541	5.6
91.05481	55.5
93.07056	68.0
95.04977	25.6
95.08603	44.7
95.33779	4.4
97.06544	7.6
97.10150	10.7
105.07043	60.8
107.04964	8.0
107.08604	53.8
108.13165	4.1
109.06519	19.3
109.10169	47.9
111.04401	6.1
111.08083	18.4
117.07035	13.4
119.08590	23.5
121.06516	12.0
121.10168	14.2
123.08120	7.1
123.11687	12.4
129.07014	5.9
131.08585	25.8
132.72629	4.5
133.06471	15.2
133.10123	100.0
135.08055	11.6
135.11678	14.6
137.05984	5.4
137.09607	5.5
139.07550	8.8
143.08557	8.1
145.10136	10.2
147.08051	16.9
149.09637	13.7
149.13283	5.3
151.11177	81.4
161.09631	12.2
165.12668	6.3
171.11723	5.0
175.11160	7.8
177.09117	12.3
179.10661	9.5
183.13826	16.9
189.12682	10.5
201.94099	5.0
203.14415	6.1
207.13649	7.0
227.17937	5.2
245.19069	17.1
263.20135	16.1
273.18512	35.6
291.19534	69.0
305.21069	10.0
323.22052	42.5
333.37854	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84903	1.3
53.03939	2.7
55.01877	7.7
55.05508	34.1
57.03437	2.2
59.04994	1.3
59.87557	1.1
67.05501	21.5
69.03416	5.1
69.07067	17.7
70.11967	5.8
71.04993	1.9
79.05494	21.2
81.03418	3.5
81.07049	21.1
83.04973	4.3
83.08622	16.3
85.06548	1.6
85.37621	1.1
86.51234	1.1
91.05468	10.9
93.07046	14.4
95.04951	6.5
95.08590	8.1
97.02877	2.9
97.06524	3.6
97.10168	29.2
98.21398	2.1
105.07025	10.3
107.04961	5.6
107.08591	17.3
109.06546	1.9
109.10149	4.5
111.08089	1.9
117.07016	4.7
119.04959	1.6
119.08577	9.7
121.06483	4.4
121.10136	4.1
123.08046	7.4
125.09614	27.1
129.06981	2.8
131.08566	7.1
133.06470	4.2
133.10092	5.6
135.08043	7.9
135.11674	1.9
137.09612	2.9
143.08549	3.4
145.10110	4.6
147.08064	3.0
147.11673	4.6
149.05956	1.9
149.09599	2.3
153.09148	3.5
157.10081	2.1
157.12241	2.2
159.11699	1.8
161.09573	2.5
163.11121	1.4
164.35120	1.2
165.09085	3.4
171.11600	1.8
175.11205	2.9
185.13312	1.4
188.11055	1.2
189.12813	1.5
203.12781	11.2
213.12793	1.3
223.13376	8.1
227.17950	2.0
237.14824	2.4
245.18898	2.0
255.17400	1.4
273.18460	12.8
291.19528	100.0
292.19913	1.8
305.21088	29.0
323.22113	10.3
323.27689	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01875	9.5
55.02102	2.0
55.05510	45.7
57.03432	2.5
59.04991	2.2
65.03947	1.5
67.05173	2.1
67.05504	27.2
69.03421	6.9
69.06718	2.0
69.07067	21.4
69.98735	7.4
79.05487	28.2
81.03407	4.8
81.07056	24.9
83.04974	5.7
83.08620	23.8
85.02934	1.4
91.05471	14.6
93.07042	22.6
95.04958	14.5
95.08604	18.1
97.02854	1.7
97.06519	3.9
97.10170	40.4
105.07037	13.2
107.04957	7.1
107.08592	22.1
109.02837	2.4
109.06509	3.9
109.10166	8.0
111.04440	1.5
111.08089	2.7
115.05470	1.7
117.07019	7.6
119.04935	2.0
119.08606	13.0
121.06477	4.3
121.10141	7.2
123.08067	17.3
123.11689	2.3
125.09624	39.2
125.63176	1.4
128.22957	1.3
129.07028	3.0
130.07799	1.5
131.08543	8.4
133.06474	4.4
133.10112	5.0
135.08089	10.5
135.11684	2.8
137.09602	2.9
139.11284	1.2
143.08568	4.4
145.10123	6.6
147.08023	7.2
147.11694	3.1
149.09628	3.3
153.09085	5.0
157.10150	2.8
157.12221	2.5
159.11652	2.8
161.09589	3.7
163.11153	3.8
165.09109	6.1
171.10243	1.7
171.11638	1.9
175.11116	2.6
189.12769	2.4
193.12285	4.4
203.12785	16.8
223.13274	7.9
225.14862	2.8
245.19090	1.5
249.14888	2.5
255.17468	3.7
263.20270	1.9
273.18472	14.6
291.19531	100.0
292.19849	2.5
305.21085	28.9
323.22177	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62429	0.8
53.03930	0.9
55.01863	3.4
55.05503	3.5
57.03435	33.3
57.07072	1.2
65.03943	1.8
67.05502	23.6
69.07065	1.9
69.61079	6.5
71.04993	2.3
79.05489	8.7
81.07039	8.5
83.04983	0.8
83.08613	1.2
85.06541	31.1
91.05482	7.9
93.07050	7.5
95.04962	28.1
95.08600	3.4
96.54963	0.8
97.06521	1.4
105.07020	6.5
107.04951	2.4
107.08598	6.5
109.06514	28.4
111.08054	1.2
113.05998	100.0
114.06299	0.8
117.07023	4.3
119.08589	3.5
120.98790	0.8
121.06515	1.7
121.10152	2.5
123.08060	1.3
129.07013	2.4
131.08563	4.9
133.10152	2.0
135.08047	20.9
135.11696	2.3
138.33696	0.8
143.08575	2.9
145.10167	4.1
147.08040	1.0
147.11708	1.0
149.09653	2.7
149.13084	0.9
157.10161	2.7
159.11659	2.3
161.09608	3.0
163.11191	2.1
171.11578	1.1
173.13316	1.6
175.11264	1.2
177.12744	0.9
181.12236	1.3
183.11690	1.3
199.14793	1.1
201.12695	1.3
217.15863	7.9
255.17429	1.1
273.18469	10.4
291.19528	26.6
305.21167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01870	22.1
55.05512	59.2
57.03430	13.2
57.07074	2.8
65.03919	2.2
67.05502	52.2
69.03423	9.1
69.07068	34.2
70.06329	8.5
71.04983	9.3
72.05882	1.9
72.18255	1.9
79.05066	3.7
79.05492	54.2
81.03420	23.1
81.07056	100.0
83.04983	24.1
83.08620	26.6
84.08138	2.7
85.02917	2.7
85.06543	4.0
89.27757	2.1
90.15422	2.2
91.05476	30.9
93.07043	39.9
95.04971	23.5
95.08605	35.8
97.02838	2.4
97.06529	20.6
97.09542	3.1
97.10167	41.8
98.20834	2.8
99.04426	3.6
99.08081	8.8
99.17014	2.1
103.05494	3.1
105.07030	25.4
107.04955	11.6
107.08590	30.8
109.06530	14.8
109.10153	16.4
111.04426	14.8
111.08076	16.2
113.06015	4.8
115.05510	3.3
117.03374	3.6
117.07001	10.2
119.08580	22.2
121.06481	10.9
121.10126	12.6
123.04443	2.5
123.07203	3.0
123.08066	42.2
125.09622	38.1
129.07002	6.9
131.08571	15.1
133.06468	3.5
133.10130	16.4
135.08057	9.9
135.11690	14.3
137.06009	6.1
137.09653	17.0
139.11227	2.8
143.08531	4.2
143.82214	2.1
145.02858	11.0
145.10097	18.1
147.08064	12.2
147.11691	8.3
149.05995	5.2
149.09610	10.6
149.13216	3.2
153.09149	6.8
153.12766	10.0
157.10173	8.0
159.11705	4.9
161.06018	3.5
161.09627	5.3
163.11186	44.6
165.09113	16.0
169.10190	2.4
171.11794	4.1
175.11078	5.1
177.05466	26.0
177.12787	5.0
179.10504	2.7
181.12273	7.8
185.09636	2.4
187.11183	3.8
189.12701	2.5
191.10728	5.8
193.12289	17.7
199.11082	2.3
203.12764	9.5
205.12231	3.2
223.13342	2.9
227.12834	9.1
227.17967	2.3
245.19038	5.4
249.14935	2.6
255.17377	5.3
263.20129	3.9
273.18466	28.4
291.10422	2.9
291.19528	64.9
305.11923	2.6
305.20990	12.1
323.12613	2.3
323.18771	2.7
323.22192	7.2
323.27731	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26520	5.7
55.01876	42.0
55.05505	35.7
57.03426	36.6
57.07073	11.5
65.03922	9.3
67.05504	99.1
69.07063	57.9
69.50006	53.0
71.01348	8.4
71.04994	12.7
71.54275	6.1
79.05491	59.3
81.03412	15.0
81.07050	100.0
83.04978	17.5
83.08613	23.5
85.06542	39.6
91.05473	56.9
93.07030	70.8
95.04961	67.2
95.08604	71.3
97.02895	16.1
97.06538	61.0
97.10160	6.5
105.07046	30.2
107.04936	8.4
107.08599	36.8
108.08120	6.5
109.06528	48.1
109.10123	24.9
111.04406	10.3
111.08080	12.0
113.06004	98.9
117.07022	9.8
119.08567	23.5
121.06489	13.7
121.10139	18.1
123.08057	21.6
123.11719	12.1
125.05957	10.4
125.09612	12.1
129.06999	15.5
130.11473	6.3
131.08566	27.3
133.06470	7.2
133.10182	32.4
135.08060	45.5
135.11659	14.4
137.09596	14.6
139.07532	13.2
145.10121	16.0
147.08055	7.5
147.11655	13.8
149.09618	14.8
151.11205	6.9
153.09038	8.2
155.08656	7.1
159.07967	6.2
159.11670	11.8
161.09579	19.7
163.11185	10.7
171.11690	9.8
173.13252	6.4
175.02066	6.2
177.05499	17.2
183.11583	7.9
184.09975	5.7
187.19467	6.6
193.12360	6.3
217.15854	16.0
263.20001	13.4
273.18521	48.7
291.19543	93.1
292.20029	6.7
305.20963	14.2
323.22040	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	323.1712
Annotation	Monamidocin
Peak:m/z	Relative Intensity
54.34561	1.5
55.05512	10.7
60.05650	29.0
70.06593	17.2
70.98370	4.8
72.08154	84.2
73.06461	2.5
85.26520	2.0
86.07179	2.3
86.09708	2.8
87.07967	4.4
89.10793	2.5
91.05465	5.0
93.87965	2.0
97.07657	17.9
98.06068	16.6
105.03374	6.1
107.04947	2.6
112.08730	3.0
114.10291	73.5
115.08672	7.7
115.10559	2.1
117.03363	7.4
119.04939	1.9
119.08542	4.1
121.06514	1.9
127.42802	1.6
131.12927	74.3
132.50029	1.6
133.02846	54.5
134.03546	2.3
134.06021	2.7
135.04446	4.4
137.05974	23.3
145.02843	14.9
147.04433	5.1
149.05968	5.9
150.03072	3.7
150.05484	2.7
151.03893	7.5
152.04718	2.7
156.34499	1.7
157.10818	27.0
161.02322	26.0
163.03909	7.0
165.05469	10.6
167.07050	2.4
173.39368	1.7
174.05350	1.9
175.03882	2.9
177.05466	18.9
178.02597	9.4
178.04961	3.5
190.05072	4.4
192.06519	7.2
193.04973	76.9
194.05380	3.0
217.05998	2.4
231.08849	5.7
232.09682	14.2
246.11174	19.5
252.09845	3.3
263.13974	7.9
264.12323	13.8
274.11838	2.7
281.14865	2.9
288.13321	5.3
289.11850	2.9
291.10419	2.2
291.14496	11.7
295.17719	4.9
305.16049	24.4
306.14313	9.0
307.17349	2.1
323.17123	100.0
324.17456	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	323.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.9
55.05512	3.5
59.15729	0.6
67.05488	4.7
69.03419	1.8
69.07071	5.3
70.02370	2.6
70.02784	1.8
71.04987	1.3
79.05493	4.5
81.03445	0.9
81.07063	9.8
83.04982	1.1
83.08613	1.6
84.08165	0.9
85.06548	1.5
91.05490	3.3
92.62002	0.7
93.07049	5.5
93.37350	0.7
95.04973	2.9
95.08611	6.2
97.02891	0.9
97.06547	1.3
97.10160	0.8
98.21478	1.1
103.05453	0.7
105.07030	5.5
107.08617	2.4
109.06541	0.9
109.10178	2.7
109.86729	0.8
111.08089	0.8
115.05445	0.9
117.07055	1.5
119.08589	2.7
121.10108	3.9
123.08087	0.8
123.11729	2.0
125.09693	1.0
128.06253	1.0
129.07042	1.1
133.06529	1.7
133.10123	2.3
135.04422	0.7
135.11671	1.5
137.05959	5.1
137.09637	0.9
139.11214	1.3
141.06927	0.9
145.02832	1.2
146.03658	1.0
147.04445	1.6
147.08067	0.9
147.11719	0.8
149.06027	1.0
151.11197	0.9
157.10158	1.0
159.11659	0.9
161.06001	9.1
173.13310	1.1
177.05533	2.8
177.16301	0.7
191.08606	1.0
199.07607	2.2
202.07808	2.7
203.08507	4.4
219.08279	1.6
220.08902	1.7
230.04277	0.7
230.07179	0.8
231.08083	7.4
232.08907	0.8
245.09604	0.8
247.07658	1.8
248.08391	3.7
249.11086	1.5
258.07028	0.7
259.07498	5.2
260.08386	2.6
263.10733	3.9
265.08466	1.0
272.78299	0.8
275.06842	0.7
276.07864	2.6
291.10172	13.7
292.10977	1.4
293.08020	1.1
305.24826	2.1
308.10376	2.0
323.14734	100.0
323.25485	6.2
324.15100	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.3
55.05511	2.0
67.05491	2.7
69.07034	1.5
70.06586	1.2
72.08147	1.3
79.05480	4.1
81.07041	5.0
84.04550	1.1
84.08121	2.1
84.62022	1.1
84.62540	1.2
84.79625	1.1
85.02888	1.2
85.06487	1.2
91.05476	3.1
93.07040	2.7
94.04185	2.8
95.04991	1.9
95.08586	2.6
100.07610	1.6
103.05426	3.7
105.07036	13.8
107.04911	1.7
109.06499	3.4
115.05450	5.2
117.07048	1.6
118.04147	1.8
119.08540	1.3
121.10141	2.0
122.03635	5.0
123.11736	1.5
131.04930	2.6
133.06468	9.6
137.05977	49.0
139.05389	1.2
141.06967	1.6
143.04936	1.6
146.03618	10.6
147.04468	1.7
149.05948	1.5
161.05981	100.0
162.06462	1.8
167.04948	2.8
171.08022	1.7
178.07756	1.5
178.42015	1.1
184.05128	2.8
189.06989	1.3
191.08539	5.5
192.09328	4.5
199.07539	13.2
202.05898	0.9
202.07758	25.9
203.08556	39.3
204.09265	2.5
205.06464	3.6
213.06909	1.9
218.07147	2.2
219.08022	14.6
220.08846	13.6
221.09535	1.7
229.06558	1.9
230.07274	6.4
231.08038	64.1
232.08742	12.8
233.05896	2.9
233.09607	2.2
235.11087	2.2
237.09018	2.9
245.09604	2.4
247.07585	9.7
248.08324	27.8
249.09000	4.3
258.06757	4.8
259.07532	45.5
260.08328	23.0
261.08990	3.2
262.09866	2.0
263.10666	30.8
265.08578	4.5
273.09238	1.5
275.07001	7.9
276.07797	19.6
277.08499	6.9
280.10709	1.4
291.10156	87.5
292.10776	8.9
293.08130	7.2
293.10880	1.6
295.13272	2.1
296.93033	1.3
303.46561	1.4
308.10361	7.1
308.13455	1.3
323.12759	83.8
324.13043	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	323.1275
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
54.08927	0.9
55.01860	1.1
55.05508	2.0
67.05488	3.9
69.03420	3.9
69.07066	2.6
71.58601	1.3
79.05473	3.4
81.07042	7.6
83.04984	3.3
85.02892	1.9
89.03903	2.3
91.05463	4.1
93.07039	3.1
94.04199	1.2
95.04996	2.3
95.08599	6.8
103.05469	3.2
105.07023	13.8
107.04939	3.3
107.05642	1.0
107.08587	3.0
109.06519	4.1
109.07233	1.1
109.10141	3.2
115.05447	5.1
117.03361	6.9
119.08574	2.4
121.06470	1.5
121.10140	3.2
122.03642	1.7
122.13221	1.0
123.11724	1.5
133.06500	8.1
133.10120	1.2
137.05986	25.7
145.02826	14.7
146.03633	6.6
147.04370	1.6
149.05962	3.0
149.13252	1.4
161.05977	70.3
165.06996	1.3
167.04901	1.6
171.08136	1.6
175.07523	1.2
177.05460	27.2
179.08527	1.5
184.05235	2.0
189.07005	1.4
191.08507	5.3
192.09358	3.0
199.07515	10.8
202.07771	21.9
202.09521	1.8
203.08549	31.9
203.10402	1.9
204.09314	1.9
205.06517	2.2
207.08139	1.3
219.08081	12.6
220.08797	8.4
221.09622	1.7
230.07260	5.1
231.08040	50.3
232.08792	8.1
233.06094	2.2
235.11237	2.3
237.09135	1.8
240.39888	1.0
240.42416	1.1
245.09682	2.8
247.07559	10.7
248.08307	23.6
249.09142	2.1
249.14645	1.1
258.06836	3.9
259.07535	38.8
260.08301	25.1
261.09015	2.4
262.09845	2.3
263.10675	20.4
263.13321	2.2
264.11099	1.2
265.08694	2.6
273.09012	2.2
275.07001	5.8
275.09967	1.3
276.07816	20.4
277.08582	5.6
277.11285	1.2
280.10712	1.0
291.10144	100.0
292.10764	8.3
293.08109	4.2
295.13248	2.9
307.09787	1.1
308.10373	3.6
323.12775	50.5
324.13092	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01863	1.3
55.05512	4.3
67.05495	2.2
69.03418	1.3
69.07068	5.0
69.34340	1.6
69.34734	7.8
79.05479	3.7
81.07064	7.7
83.08606	1.7
85.06539	1.2
86.77183	0.8
91.05478	3.2
93.07024	3.5
94.04117	0.8
95.04958	3.2
95.08595	2.6
97.06561	1.3
97.10157	1.6
99.08068	0.8
103.05466	3.1
105.07035	13.1
107.04940	1.6
107.08595	3.0
109.06532	1.4
109.10119	2.4
115.05442	3.8
117.07048	0.8
118.04102	0.9
119.08576	1.7
121.06527	0.8
122.03629	1.1
123.11705	1.9
125.09596	1.3
128.06192	1.0
131.05009	1.2
131.08557	1.0
133.06474	6.6
137.05977	12.0
146.03654	6.7
147.04396	1.3
149.05997	1.4
149.09558	0.9
149.13304	0.9
151.11186	1.0
153.05438	1.2
161.05980	71.0
162.06500	1.6
165.07069	1.6
167.04927	1.7
175.07524	2.2
175.76479	0.8
177.05455	1.3
184.05156	1.2
189.06999	1.6
191.08614	4.8
192.09322	2.9
199.07562	6.4
202.05852	1.0
202.07771	25.5
203.08560	34.8
204.08977	1.4
205.06413	4.4
206.07231	1.3
215.08537	1.3
217.06561	0.9
217.10109	1.0
219.08069	12.0
220.08829	11.8
221.05898	1.1
221.09494	1.0
230.07298	5.4
231.08051	53.7
232.08801	8.4
233.05946	2.3
234.06755	1.6
235.07507	0.9
235.11131	1.8
237.08992	1.8
241.06435	0.9
242.07219	1.1
243.08063	1.4
245.09753	1.9
247.07539	8.8
248.08330	25.9
249.08916	2.7
258.06781	3.2
259.07547	38.9
260.08286	27.3
261.08942	3.7
262.09866	1.2
263.07794	1.1
263.10678	21.5
263.59836	0.9
265.08585	2.9
273.09210	1.3
275.07001	5.9
276.07800	19.1
277.08664	4.2
280.10861	0.9
290.09381	1.1
291.10153	100.0
292.10565	7.5
293.08109	4.8
295.13248	1.4
305.13858	1.3
308.10416	5.2
323.12759	57.3
323.25879	1.7
324.13092	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1275
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01876	1.3
55.05499	0.7
65.03933	0.7
67.05488	1.7
69.03431	1.2
69.07054	1.2
69.27605	3.3
69.28037	3.4
70.06586	1.2
70.29768	0.5
72.08157	1.2
79.05486	3.2
81.07058	3.8
84.04492	0.7
84.08128	1.3
85.06520	0.7
86.09655	0.7
91.05471	2.7
93.07032	1.8
94.04181	2.9
95.04954	2.0
95.08591	2.1
95.90969	0.6
103.05460	3.5
105.07027	13.9
107.04998	1.2
107.08601	1.8
109.06512	2.7
109.10187	1.0
115.05451	4.2
117.03356	0.8
117.07015	0.8
118.04161	1.2
119.08564	1.2
121.06491	0.8
121.10153	1.1
122.03652	5.5
128.06197	1.3
129.06961	0.9
131.04919	1.6
133.06503	9.4
137.05972	49.9
139.05432	1.2
141.07013	1.7
143.04994	0.8
143.06044	0.7
145.06529	0.7
146.03616	11.3
147.04375	1.1
149.05965	2.2
156.05716	1.7
159.08084	0.7
161.05977	100.0
162.06424	1.7
164.07117	0.9
165.05580	0.9
165.06905	1.1
167.04910	1.9
168.05815	1.0
169.06467	1.0
171.08064	1.4
172.13429	0.7
173.48495	0.6
175.07535	1.7
177.05482	1.2
177.06949	0.9
184.05188	2.8
187.07452	0.8
189.06897	1.3
190.07692	1.3
191.08574	5.2
192.09344	2.3
193.10065	0.9
199.07530	16.2
202.07768	26.8
203.08557	38.3
204.09193	2.2
205.06532	4.5
213.07007	1.6
215.08574	2.9
217.06387	1.0
217.10089	1.0
218.07346	1.7
219.08035	14.5
220.08807	13.5
221.09552	2.0
222.06757	0.7
229.06532	1.3
230.07228	4.8
231.08044	63.3
232.08781	10.2
233.05966	2.2
233.09576	1.3
234.06674	0.9
234.10440	0.9
235.07539	1.8
235.11214	2.8
237.09085	2.6
241.06445	0.9
242.07388	0.9
245.09656	2.5
247.07524	9.8
248.05743	1.4
248.08330	29.2
249.09106	4.5
250.06088	0.8
258.06824	4.4
259.07544	41.8
260.08301	22.3
261.05411	0.7
261.08987	2.9
262.09906	2.4
263.10663	29.9
264.11127	1.1
265.08527	5.0
273.09207	2.6
274.09973	1.1
275.07025	5.7
275.09995	1.0
276.07819	19.0
277.08508	7.5
278.05832	1.0
279.10156	0.8
280.10971	1.9
290.09399	1.7
291.10132	86.1
292.10733	9.9
293.08023	7.4
293.11093	1.3
295.13181	3.8
307.09833	0.7
308.10425	8.4
323.12769	86.9
324.13043	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.7
57.03437	0.9
57.07063	0.6
67.05481	2.2
69.03413	2.9
69.07062	1.9
71.04985	0.9
71.58101	1.1
72.08163	1.2
79.05480	1.8
81.07042	3.1
83.04977	4.2
84.08118	1.4
85.02875	1.3
89.03917	7.5
91.05460	2.2
93.07025	2.5
95.04965	1.6
95.08575	1.9
105.07014	2.7
106.04199	0.8
107.08596	1.8
109.10150	1.5
111.04432	2.2
117.03379	21.5
119.08581	1.0
121.10139	1.9
123.11668	0.8
129.05432	1.3
131.08510	0.8
133.10100	1.2
134.03615	1.7
135.04370	1.2
137.05992	7.3
145.02846	55.7
145.10104	1.0
149.05997	8.3
161.05974	2.0
177.05469	100.0
178.05824	2.5
186.05511	1.7
193.91762	0.7
195.06456	0.9
203.08543	1.5
231.06305	4.2
238.71548	0.8
247.05975	2.1
259.07684	1.2
260.08307	0.8
263.10602	0.9
291.10150	1.9
305.10242	5.5
323.12228	2.3
324.03540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81814	0.9
54.76632	0.8
55.01861	1.9
56.05033	1.2
60.05659	2.2
61.02934	1.3
65.03935	1.0
66.63079	0.8
67.05491	2.0
69.03422	1.2
70.06588	4.7
70.82995	2.2
72.08153	8.0
75.34884	0.8
79.05486	4.0
79.28441	0.9
81.07041	1.2
84.04487	1.6
84.08136	3.8
84.25832	0.8
85.02902	3.1
86.09700	3.9
87.00818	0.9
89.03875	1.1
91.05476	64.3
92.05803	1.2
93.07035	6.7
95.01320	3.9
95.04964	1.6
103.05427	4.3
104.06258	2.4
105.03404	2.6
105.07027	10.7
107.04970	1.5
107.08539	1.1
109.06590	1.3
114.10273	2.4
115.05436	1.9
117.03395	3.6
117.07018	19.4
118.51419	0.8
119.04944	3.3
119.08575	100.0
120.08112	1.1
120.08865	1.3
121.08424	1.0
121.10111	1.1
129.06985	3.6
129.10269	1.5
131.08543	1.3
131.12921	5.6
133.02940	0.9
133.06450	2.1
133.10075	0.9
137.05963	1.7
137.09648	1.0
141.01843	2.0
144.64047	0.8
145.02841	6.9
145.06505	0.9
147.04422	9.9
147.08040	87.3
148.08566	1.3
149.05978	1.5
151.03949	2.1
159.08018	1.2
163.03886	1.4
165.09117	10.1
166.92908	0.8
175.07668	1.6
177.05482	10.4
177.09091	3.6
193.04933	1.4
203.08363	1.1
208.62119	0.9
245.08160	1.0
249.11247	1.7
263.10263	1.0
277.10809	4.1
305.10345	1.9
323.11465	4.7
323.17050	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	322.2741
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03696	0.5
53.03942	1.2
55.05516	3.6
57.07067	1.9
60.04520	1.9
62.06089	100.0
65.03942	0.8
67.05503	17.0
69.07069	3.8
69.94363	2.5
71.08631	0.7
74.68092	0.6
79.05495	12.8
81.07056	19.8
81.07525	1.2
82.07416	0.6
82.61333	0.6
83.04953	0.7
83.08624	1.7
85.06557	0.7
91.05476	6.1
93.07043	15.7
95.04983	1.5
95.08602	16.1
97.06527	0.8
97.10194	0.7
98.06037	0.5
99.08121	0.6
103.05502	0.6
105.07030	4.2
107.08601	8.4
107.09316	0.7
109.10156	5.2
112.00873	0.5
117.07047	1.8
119.08588	3.1
121.10139	7.5
123.11652	2.5
127.35303	0.6
130.08678	1.0
131.08580	3.7
133.10179	2.3
135.11702	4.7
137.13277	1.1
140.03827	0.7
144.10204	1.1
145.02838	0.6
145.10150	3.0
147.11743	1.9
149.09650	0.7
149.13222	3.2
151.14825	0.7
152.11572	0.7
158.11815	1.2
159.11760	1.7
161.13258	1.1
163.11172	0.7
163.14870	1.4
170.11592	0.6
172.13399	0.5
173.13290	2.0
177.05511	0.9
177.12717	0.5
177.16440	2.1
186.14853	1.0
187.14868	1.0
214.18080	0.6
217.19576	0.6
233.22835	0.8
239.14232	0.6
243.21117	4.8
248.08742	0.6
261.22098	6.2
301.95227	0.5
304.26495	2.0
305.24951	2.1
322.21060	0.9
322.24487	1.5
322.27551	12.4
335.47931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85445	16.5
71.57281	24.5
248.89696	25.3
323.07358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
52.23954	0.9
55.01858	1.3
55.05501	6.1
60.04528	1.6
61.54642	0.8
62.06087	100.0
64.77009	1.1
67.05499	18.0
69.07058	4.3
69.73676	5.7
77.50977	0.9
79.05496	12.0
81.07059	19.3
83.08617	3.3
91.05473	6.6
93.07040	13.5
95.04993	1.5
95.08604	15.2
97.10179	3.0
105.07032	2.8
107.08591	7.4
109.10156	5.9
117.06995	1.8
119.08587	4.6
121.10154	5.1
123.11658	2.3
125.09631	2.3
131.08565	2.3
133.10117	2.4
135.08109	0.9
135.11690	4.5
137.13240	1.2
145.10149	2.9
147.11684	1.6
149.13255	2.9
153.70483	1.1
159.11670	1.6
163.14822	1.6
173.13304	1.8
177.16399	1.5
186.14983	1.0
243.21080	2.9
253.11449	1.1
261.22198	4.0
273.18399	1.1
291.19513	8.0
298.92593	0.9
304.26251	3.4
305.21390	1.9
305.24710	2.5
322.27393	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	322.1875
Annotation	Arginylphenylalanine
Peak:m/z	Relative Intensity
51.32301	0.8
54.54810	1.0
55.01872	1.2
55.05497	0.9
56.05020	3.9
56.96564	4.0
57.03427	1.4
60.04508	1.1
60.05372	1.1
60.05651	17.4
61.01157	1.3
61.02913	1.5
67.05487	1.0
68.05037	1.6
69.03427	1.8
69.64828	1.8
69.65222	7.3
70.02943	1.9
70.06593	100.0
71.04989	3.2
72.08145	4.5
74.06068	2.8
80.05056	1.0
80.07964	0.9
80.32578	0.9
81.03414	1.2
81.07033	1.2
83.04969	1.2
83.06126	2.3
84.04509	5.7
84.08148	4.6
85.02901	5.2
86.06042	1.2
86.09693	2.9
87.05617	1.3
91.05469	5.8
93.07049	1.4
95.04990	1.2
95.06047	1.8
96.04427	1.0
97.02882	3.4
97.07642	2.2
98.06071	4.7
98.20731	1.2
98.97562	3.0
99.04470	1.1
100.07559	1.4
102.05521	1.0
102.18720	0.9
103.05465	1.0
104.05344	1.3
105.00083	3.7
105.06962	1.1
107.04947	2.8
109.02903	1.6
110.07174	3.0
111.36823	1.0
112.07570	1.1
112.08733	14.1
113.07098	1.4
115.08666	2.8
116.07101	4.2
116.98608	3.7
117.06962	1.0
119.01661	1.9
119.08553	2.1
120.08101	11.2
123.05550	2.5
129.10240	1.4
130.05019	1.4
130.09723	1.6
131.04883	1.0
136.07547	2.2
137.05984	2.3
140.08167	2.4
145.09727	1.3
147.04454	2.2
147.08041	1.8
150.05775	1.4
157.09718	3.0
157.10858	3.2
158.09267	3.4
158.99677	1.5
160.07617	1.3
160.09718	4.1
161.04631	1.6
165.73494	0.9
173.09265	1.1
175.11902	18.2
177.00761	1.4
177.02170	2.5
190.09775	1.6
200.10728	1.2
205.10048	3.0
205.88560	1.4
217.13496	1.0
237.02753	1.2
258.15662	1.6
262.15518	3.1
263.13916	3.5
263.69437	1.1
305.16061	10.7
320.07388	1.1
322.15027	2.2
322.18732	48.1
323.19104	1.1
336.95508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01864	11.1
55.05506	7.9
57.03432	10.2
64.04225	5.1
65.03925	6.4
66.18027	4.7
67.05497	14.7
69.03428	10.6
69.07053	11.3
69.27425	51.4
79.05486	37.3
81.07053	37.7
83.04981	5.3
85.02922	15.0
86.09724	11.5
91.05489	23.6
93.07024	12.3
95.01321	16.7
95.04974	13.8
95.08609	5.9
97.02876	7.8
97.06520	26.4
105.07067	7.3
107.04943	7.9
107.08572	5.7
109.06491	23.2
115.05406	6.2
117.07031	11.2
119.04932	10.4
119.08578	14.5
121.06483	14.5
125.06000	6.0
129.06999	5.4
131.08540	7.8
135.08069	9.8
137.05984	15.7
139.03915	20.3
141.01837	5.4
141.05493	5.2
141.70923	5.8
147.08005	9.3
149.05997	10.3
149.09628	10.5
151.07507	5.8
155.07219	5.5
163.07533	18.8
165.09131	27.9
175.07584	6.6
176.72995	4.9
181.08560	8.3
189.90680	5.2
191.07085	6.2
191.10667	6.3
193.08624	37.9
197.04584	11.2
209.08096	15.0
211.09692	30.8
225.07579	7.1
237.07603	8.6
248.16554	5.3
255.08669	100.0
273.09750	7.5
290.09293	5.1
292.15894	4.9
304.05350	7.3
321.45187	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	322.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	9.1
55.05514	8.9
55.17445	3.5
57.03442	5.1
67.05507	13.0
69.03420	15.9
69.07069	7.1
70.06583	6.4
71.58141	7.9
72.08147	13.0
79.05501	33.4
81.03413	8.7
81.07050	36.3
84.08138	8.0
85.02911	9.2
86.23687	3.3
90.83556	4.5
91.05480	16.5
93.07063	23.6
95.01326	16.1
95.04970	13.2
95.08629	6.8
97.02901	9.8
97.06543	20.6
98.09695	6.0
100.07605	7.4
105.07031	10.8
107.04959	5.2
107.08582	5.3
109.06544	21.1
111.04447	4.0
117.31940	3.6
119.04965	10.1
119.08608	14.5
121.06501	8.9
121.10139	10.2
123.08063	4.5
130.04976	4.4
130.08643	5.3
131.08577	6.8
133.06494	4.3
135.08060	9.2
137.05972	9.9
137.39014	3.7
138.05534	5.8
139.03906	10.0
139.07524	4.5
141.01831	5.2
145.02766	5.3
147.04407	11.3
147.08023	10.1
149.06073	6.5
151.03891	5.9
163.07568	10.9
165.09106	20.2
177.05475	8.7
181.08598	7.6
183.10176	7.0
191.07086	5.3
193.08594	20.2
197.04434	10.2
203.08560	4.1
209.08070	8.0
211.09602	24.6
219.06425	3.7
225.07565	5.8
226.60823	4.0
227.09081	8.2
233.55655	4.2
237.07666	6.4
255.08632	100.0
273.09729	12.9
322.05515	5.5
322.16669	4.7
322.20773	4.1
322.28629	11.0
323.12769	5.1
334.36475	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	321.2422
Annotation	Beyerol
Peak:m/z	Relative Intensity
52.56472	2.3
53.03930	3.5
55.01865	3.5
55.05511	15.7
55.78214	1.9
57.03419	3.7
57.07080	2.4
57.84543	1.9
62.82317	1.9
65.03959	2.0
67.05506	32.5
69.03422	2.8
69.07066	14.1
69.47452	17.2
71.04993	3.5
78.95773	2.6
79.05018	1.9
79.05492	44.7
81.07056	91.0
83.04974	2.3
83.08612	9.0
91.05486	28.4
93.07040	65.8
95.04961	7.8
95.08606	60.0
97.06522	2.2
105.07023	26.9
107.04993	2.1
107.08598	55.3
109.06518	7.9
109.10160	24.9
111.04447	3.8
111.08080	6.6
117.06982	8.3
119.07784	3.5
119.08572	34.2
121.06485	6.9
121.10137	29.6
123.08038	4.9
123.11709	40.3
129.07027	3.6
129.87898	2.1
131.08566	15.3
133.06485	2.1
133.10120	18.3
135.08057	34.6
135.11684	22.6
137.13234	2.5
142.07776	3.7
143.08539	8.9
144.09370	2.9
145.10121	26.7
147.08015	6.8
147.11702	13.6
149.09608	11.6
149.13223	6.5
151.11174	8.5
155.08495	2.4
157.10120	8.0
159.11653	10.6
161.09631	7.7
161.13260	8.1
163.11150	8.1
163.14734	2.4
169.10138	4.4
171.11749	3.9
173.09714	2.2
173.13234	7.8
175.11195	2.6
175.14786	5.9
183.11653	3.6
185.13261	5.2
187.14757	4.5
189.12740	5.7
191.14281	3.1
197.13298	3.7
199.14810	8.7
203.14328	5.7
204.15065	6.5
213.16374	3.4
215.14301	5.0
217.15874	20.8
225.16234	2.6
229.15848	3.6
243.20973	2.3
257.22406	4.3
264.83691	2.0
267.20938	5.3
285.22104	34.5
303.23175	100.0
321.24127	13.6
321.30795	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	11,12-EET
Peak:m/z	Relative Intensity
50.00237	0.8
53.03941	1.5
55.05518	6.7
57.07071	1.5
66.63033	0.7
67.05509	17.0
69.03424	4.2
69.07060	5.9
71.04995	0.9
71.33395	2.1
79.05497	12.0
81.07059	79.8
83.05014	1.1
83.08614	2.7
85.06556	1.0
91.05488	5.4
93.07038	15.0
95.04948	3.5
95.08611	18.9
95.23690	0.8
97.10142	0.9
105.07042	6.7
107.08594	18.5
109.06515	3.6
109.10164	17.3
109.10905	1.4
111.04447	1.8
111.08070	2.6
117.06961	2.0
119.08569	11.0
121.06488	4.0
121.08025	0.8
121.10151	7.8
123.08070	2.7
123.11710	100.0
131.08540	3.3
133.10136	7.0
135.08083	8.2
135.11681	15.5
143.08516	1.4
145.10106	5.8
147.08057	3.9
147.11693	3.9
149.09641	3.4
149.11458	0.9
149.13266	1.8
151.11151	1.1
157.10167	2.7
159.08014	1.1
159.11716	5.0
161.09628	4.8
161.13252	3.0
163.11185	2.8
163.14894	0.9
168.09372	1.1
171.11673	1.7
173.13280	3.0
175.11273	4.0
175.14832	3.6
177.12717	1.1
179.08514	1.2
183.11668	0.9
187.14822	3.3
189.06944	2.5
189.12682	4.3
189.16391	4.3
190.07698	1.6
191.14345	2.1
197.13292	2.0
199.14835	2.4
201.16356	1.5
202.07767	1.7
203.14319	3.5
204.08502	1.0
204.15056	9.6
205.15813	2.1
207.08054	3.6
215.14278	8.1
217.06403	0.9
217.15875	37.6
218.07294	9.0
219.07948	2.9
229.06421	5.0
229.15956	2.0
230.07195	1.9
231.07964	1.0
233.09660	1.5
235.07532	6.7
245.06091	1.2
246.06805	11.7
247.07610	4.5
249.09306	1.0
250.09914	1.8
257.05746	1.7
257.22562	1.8
258.06781	1.7
259.07544	1.4
261.09103	14.9
262.09802	2.0
263.07034	5.6
267.21149	2.2
272.98730	0.9
273.05569	1.1
274.06238	6.6
275.07004	3.2
277.08670	3.2
278.09302	7.2
279.10056	1.1
285.22101	12.0
289.08615	17.1
290.09348	5.1
291.06516	2.9
293.11667	1.4
303.23196	52.9
304.23346	1.5
306.08887	9.4
321.11227	36.9
321.24225	34.6
322.11493	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	321.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.7
55.05497	1.5
56.05028	0.6
57.04549	1.5
60.05642	0.6
60.99152	0.5
65.03917	0.6
67.05485	0.9
69.03422	0.8
69.07070	0.6
70.04203	1.3
70.04595	0.9
70.06590	2.4
71.04974	0.6
72.08151	9.7
74.07212	1.1
79.05482	1.2
81.03421	2.8
81.07051	1.3
84.04497	0.7
84.08152	0.7
85.02923	1.1
86.00656	0.7
86.06069	1.2
86.09676	0.7
88.00233	2.6
89.03905	3.4
89.10768	0.8
91.05473	2.0
93.07031	0.9
95.04952	1.3
95.08616	0.8
96.04507	0.6
97.02881	0.8
97.07645	1.2
98.06076	1.1
98.09684	0.7
98.20821	0.6
105.07007	0.8
107.04939	0.6
107.08641	0.6
109.02867	0.8
114.10307	5.1
115.03791	1.5
115.08730	2.9
117.03374	13.3
119.04916	2.2
119.08553	1.2
120.02067	0.9
120.08065	0.8
122.06033	1.1
123.08082	0.9
125.40905	0.5
128.08220	1.0
128.11839	15.8
129.10233	5.7
131.12936	0.8
134.03604	1.2
135.04373	3.9
137.05956	0.6
145.02843	57.6
146.03197	1.1
146.06024	0.8
147.04407	7.7
149.05977	6.4
152.05762	0.7
152.07018	1.2
156.08405	1.9
156.10182	0.7
157.08737	0.8
157.10878	0.6
158.08002	7.8
159.28697	0.5
163.03909	4.1
164.07066	0.8
165.05429	0.9
177.05469	100.0
178.05803	2.3
190.08630	1.3
191.03224	0.6
191.06926	1.0
192.06569	0.8
200.09053	2.1
216.10458	1.1
217.10684	0.7
218.09969	7.3
232.11990	1.2
234.11266	2.0
236.75589	0.6
247.14442	6.6
248.12730	7.7
261.10635	3.6
262.10791	1.0
265.15463	4.9
290.14969	2.5
293.16064	2.3
303.09787	0.7
304.13162	0.7
304.16461	6.3
321.09781	2.7
321.15662	4.8
321.19174	51.1
322.15872	0.6
322.19406	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.16308	0.4
57.04556	1.4
66.33764	0.5
66.73003	0.4
69.62439	3.6
70.06590	4.0
70.53812	0.4
72.08153	16.2
72.67618	0.5
74.07198	2.9
79.05486	0.5
81.07069	0.5
84.04462	0.7
84.08128	1.3
85.02894	0.6
86.07197	0.6
86.09721	0.7
89.03912	3.8
89.10786	2.2
91.05468	2.0
95.04995	0.7
97.07661	2.9
98.06038	1.7
100.07597	0.5
105.07013	0.8
107.04940	0.6
110.07126	0.4
114.09559	0.9
114.10290	10.2
115.08698	1.3
117.03371	20.0
119.04938	1.4
119.08611	0.6
120.08083	1.2
122.05968	0.7
125.09515	0.4
128.11836	25.3
129.10237	4.6
134.03629	1.4
135.04420	2.1
138.05525	0.5
139.03870	0.9
140.08124	0.4
145.02838	67.0
145.14441	2.3
146.03185	1.4
147.04408	5.2
149.05969	6.3
152.07138	0.6
163.03925	2.0
164.07124	0.6
171.12399	0.8
177.05461	100.0
178.05795	1.7
179.96130	0.5
186.05505	1.2
190.08670	1.1
192.06532	0.6
208.06090	1.1
232.11958	0.5
234.11388	0.5
245.77568	0.4
247.14391	6.3
248.12759	6.3
250.08026	0.5
262.10715	1.3
265.15466	4.1
285.12366	1.6
290.14969	2.8
304.13123	0.8
304.16479	6.1
321.15704	3.6
321.19180	54.9
322.19189	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30503	1.8
53.03938	4.6
55.01868	2.9
55.05510	23.3
57.03424	2.9
57.07067	2.0
59.04982	1.8
67.05509	12.7
69.03444	11.7
69.03751	2.5
69.07072	15.2
70.06593	3.5
71.04984	2.9
71.57745	2.8
71.58117	2.3
78.21217	1.6
79.05490	12.4
81.03416	30.4
81.07054	27.5
83.04987	4.3
83.08601	2.7
84.04473	2.2
84.08138	4.6
85.02884	3.7
85.06541	3.3
86.09705	100.0
89.03932	3.1
91.05473	14.6
93.07035	24.4
95.04974	18.3
95.08620	23.8
96.04479	2.3
97.02882	7.9
97.06538	3.7
97.10171	38.9
99.04440	2.6
100.07572	2.3
103.05452	7.7
105.07037	16.5
107.04951	3.9
107.08588	17.2
109.02881	11.7
109.06500	7.4
109.10165	12.0
111.08065	3.5
116.00746	1.6
117.03401	10.2
117.06942	1.9
119.04947	4.1
119.08571	9.3
120.08102	99.2
121.06534	2.2
121.10140	13.3
123.08075	2.8
123.11720	7.6
125.05928	2.0
125.09634	9.2
128.10724	47.2
128.93817	2.1
129.07001	2.1
131.04887	3.9
131.08566	5.9
133.10149	8.4
135.04425	2.1
135.08080	2.8
135.11671	8.3
137.09612	3.2
138.05518	2.2
139.11191	2.8
141.09152	1.8
143.08540	4.0
143.10670	9.5
145.02853	22.3
145.10121	7.0
147.04410	14.6
147.08028	2.6
147.11671	6.7
149.05972	7.3
149.13260	4.0
151.11218	4.4
156.10240	11.3
157.10030	2.2
159.08041	2.6
159.11696	5.7
161.09677	3.7
161.13264	4.4
163.03865	2.2
163.11168	3.6
166.08644	55.0
171.11530	1.9
173.13321	3.0
177.05461	40.3
177.12701	1.9
179.14339	2.4
201.12589	2.1
261.09100	4.3
275.09012	3.4
278.09225	2.0
285.22079	2.0
289.08496	6.5
303.16797	2.1
303.23209	15.6
321.09650	18.2
321.13000	1.8
321.24265	11.9
322.16461	2.6
322.25592	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30989	0.7
55.05498	1.0
67.05495	1.2
69.03421	0.7
69.07062	0.9
71.26776	0.7
71.32846	1.7
78.06821	0.6
79.05481	1.1
81.03407	1.0
81.07036	2.5
82.58372	0.6
85.02926	0.8
89.05621	0.6
91.05471	2.0
93.07035	1.1
95.04940	1.2
95.08584	1.7
95.45976	0.7
102.97449	0.7
103.25333	0.7
104.40397	0.7
105.07033	1.8
107.08614	1.2
109.06508	0.9
109.10197	0.7
111.04467	0.7
119.04951	0.9
121.10191	0.8
123.08061	1.1
130.91731	0.7
133.10056	0.8
146.39099	0.8
147.04384	2.5
151.07533	2.7
177.05476	0.9
207.13773	1.8
222.49918	0.6
321.16721	100.0
322.17062	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51194	1.7
55.05501	2.4
57.01207	1.6
62.52634	1.5
65.64306	1.8
67.05489	2.7
69.03414	2.1
69.07077	2.4
70.53659	7.0
79.05508	2.6
80.64323	1.6
81.03403	1.9
81.07037	4.0
91.05470	4.0
93.07022	3.7
95.08583	3.7
105.07003	3.6
107.93867	1.8
109.10128	3.1
111.04417	3.3
119.08613	3.3
147.04364	4.3
150.48444	1.7
168.09381	2.7
177.05498	2.9
183.11708	3.2
201.52048	1.9
268.46234	1.7
321.16708	100.0
321.25861	6.8
322.16971	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	321.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54338	0.3
51.64119	0.4
53.03946	0.8
53.75056	0.4
55.01867	0.9
55.05510	1.5
57.03423	1.2
57.07074	0.5
61.02914	1.3
62.43502	0.3
65.03935	0.7
67.05508	2.6
69.03426	3.7
69.07068	1.6
70.06590	0.5
70.51873	0.4
70.91612	0.6
71.04970	0.7
73.02902	0.5
74.60096	0.4
77.79265	0.4
79.05491	2.1
81.03418	4.9
81.07050	5.2
83.04968	1.1
83.08636	0.6
85.02901	11.0
85.06535	0.9
86.03198	0.4
89.03910	0.7
91.03928	0.5
91.05469	4.7
93.07031	3.5
95.04963	1.7
95.08603	3.6
97.02899	3.3
99.04452	1.0
101.02172	0.4
105.07038	3.0
107.08566	3.2
109.02221	0.4
109.02820	1.9
109.06528	1.0
109.10152	3.4
111.04453	0.5
111.08060	0.8
115.05445	3.5
116.04984	0.5
117.03379	1.2
117.05747	0.5
117.07003	3.9
118.06535	62.8
119.07370	4.1
119.08590	1.4
120.08079	0.4
121.10114	2.0
123.11698	1.4
125.09688	0.5
127.03910	2.5
129.07034	0.6
130.06508	0.8
131.08572	1.6
132.08107	1.0
133.10123	1.7
134.09645	94.6
135.09982	1.2
135.11673	1.4
137.09612	0.9
139.11188	0.5
141.06963	1.0
142.06520	5.4
143.07291	6.9
143.08450	0.7
144.04439	0.8
144.08076	24.4
145.02893	2.8
145.04933	2.8
145.06468	1.1
145.10132	1.1
146.06000	100.0
147.04402	0.8
147.06328	1.0
147.11711	1.3
149.06027	0.7
149.09689	0.5
149.13264	1.2
150.73877	0.4
151.11130	0.9
159.08003	0.8
159.11656	0.6
160.07599	0.7
161.13228	0.6
163.11130	0.6
165.09070	0.5
165.12746	0.4
170.05984	8.8
174.09149	1.6
176.06993	0.7
177.05455	6.3
179.10645	0.4
187.07544	0.8
188.07056	90.6
189.07329	1.5
192.10181	2.3
208.91855	0.4
215.07076	0.5
218.07246	0.5
229.08598	0.5
235.07480	0.6
261.09082	0.9
275.09088	1.8
289.08493	1.0
293.33008	0.4
303.22968	0.7
306.08783	0.5
321.09738	2.9
321.15936	6.3
321.19717	0.6
321.20401	0.4
321.24161	1.8
322.16449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1444
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
55.01877	2.4
55.05513	3.6
57.03430	2.5
61.02930	3.2
67.05511	15.7
69.03423	6.2
70.06594	9.7
71.57341	3.2
72.08157	9.0
79.05492	5.3
81.03434	2.4
81.07052	2.3
84.04516	4.3
84.08145	5.0
85.02908	15.1
86.09711	3.5
88.24960	2.2
91.05488	4.3
93.07059	4.4
94.06573	11.2
95.04974	6.8
97.02903	9.4
97.06508	2.3
98.06093	3.3
98.97635	2.8
103.32214	2.0
107.04977	4.1
108.08124	9.6
109.02914	3.1
110.07183	3.2
110.09727	2.6
114.10300	3.6
119.04906	4.9
120.08129	8.8
122.06013	12.5
127.03941	5.2
127.14227	2.3
129.10281	2.5
132.08087	2.5
133.02826	2.4
134.09660	2.5
136.06165	2.9
136.07594	6.2
137.05978	2.8
138.05502	27.4
138.09132	8.7
139.03923	2.8
143.08652	2.6
144.08110	4.6
145.06415	2.6
146.08383	2.8
147.04434	17.9
148.07600	8.3
156.06538	13.3
158.09625	4.0
161.70053	2.4
166.08611	16.6
169.08716	2.3
173.07158	2.4
174.07881	5.4
177.05479	3.4
180.08850	6.4
184.11279	4.6
186.09225	4.5
189.10310	11.1
195.09167	3.6
196.09863	10.5
197.08342	3.0
202.08626	6.9
202.10762	3.6
202.12454	3.7
203.11826	3.3
206.08405	28.4
209.07137	2.7
209.10597	2.8
210.11488	2.6
211.08699	2.3
211.12279	17.1
212.09055	2.4
212.10817	3.5
214.08664	6.9
215.09465	4.2
220.09993	5.3
221.10809	15.0
223.08699	9.5
224.09474	6.8
224.65053	2.6
227.08255	5.7
229.13333	2.7
230.11732	4.8
232.09628	5.4
237.02911	3.3
237.10248	4.7
238.11060	9.2
239.11768	28.6
240.10149	4.1
241.09665	3.7
244.12109	8.5
246.65385	2.3
256.20108	2.6
257.12860	12.2
258.11267	9.2
267.11279	65.4
267.14014	3.2
268.11746	4.0
272.11618	8.0
275.13937	8.5
276.12253	14.4
278.72946	2.0
285.12344	100.0
290.12656	7.5
303.13391	56.6
304.11908	7.7
321.14429	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	321.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74559	0.4
59.29764	0.4
59.58723	0.3
69.91982	1.2
69.92410	0.7
70.06584	0.5
81.67279	0.4
84.08144	0.6
101.00854	0.5
114.05593	0.3
119.01922	1.1
131.01906	0.8
133.03479	0.8
133.47318	0.3
138.22162	0.3
147.05042	0.7
151.04466	0.3
159.06212	0.4
160.09718	0.9
171.05164	0.5
171.36360	0.3
173.02986	0.7
185.06580	0.4
189.06116	0.3
219.07184	1.3
221.05009	0.6
231.07162	1.1
261.08408	0.5
321.11566	100.0
322.11905	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	321.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12075	1.3
57.03048	1.2
60.43214	1.2
69.63626	3.1
69.64030	5.8
80.14409	1.0
84.08157	4.9
84.61831	1.1
94.06574	3.0
98.21485	2.3
101.00907	1.9
114.09220	1.3
119.01912	5.7
130.08652	1.9
131.01944	1.7
133.03488	2.8
137.03004	2.6
144.12558	1.1
147.05099	1.9
159.05135	1.3
161.02988	1.9
165.06094	1.4
173.02997	1.6
187.00984	1.6
190.01274	2.2
191.04132	2.1
192.00014	1.8
215.00504	2.6
232.68834	1.4
247.03114	2.5
277.15289	1.2
299.14148	1.2
321.11703	100.0
322.05637	9.0
322.12131	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	320.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96257	0.8
53.03933	1.0
53.98246	1.0
55.05502	3.8
57.07074	1.7
58.98495	0.8
60.04493	2.1
61.94296	0.9
62.06087	100.0
67.05500	11.7
69.07050	3.3
69.92429	5.4
70.02942	1.7
79.05493	14.8
81.07062	14.1
83.04919	1.0
83.08621	1.7
91.05483	13.3
93.07038	18.7
95.04937	1.6
95.08611	9.0
97.10149	1.4
105.07028	14.8
107.08598	14.6
109.10152	3.0
117.06998	2.6
119.08584	14.1
121.06535	1.3
121.10126	10.6
121.57626	0.9
123.08052	1.0
129.07002	1.5
130.08640	2.6
131.08574	4.9
133.10124	11.7
135.11711	10.0
137.09592	1.0
143.08530	2.0
144.10182	2.3
145.10149	4.2
147.11664	7.9
149.09621	1.1
149.13228	7.5
157.10175	1.8
159.11690	3.9
161.13243	8.5
163.14838	3.1
167.37558	1.1
171.11691	3.3
172.13402	0.9
173.13246	2.3
175.11096	1.3
175.14790	11.0
184.13370	1.2
185.13255	3.2
186.14862	1.2
189.12759	1.6
217.19460	6.4
224.16483	1.2
231.21039	1.9
241.19458	7.3
258.10239	1.1
259.20563	13.4
260.20923	1.3
274.67984	1.1
302.24789	2.9
303.22955	1.3
320.25809	26.2
320.30432	4.7
321.26297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.124
Annotation	Asp-Trp
Peak:m/z	Relative Intensity
50.70208	0.8
50.80467	0.7
55.02962	1.0
55.05494	1.5
65.03973	0.9
69.03436	1.2
70.02957	5.6
70.06593	4.3
71.16564	1.2
71.16897	1.2
72.08154	7.4
74.02425	1.9
79.05488	1.0
81.03401	0.8
83.06142	0.9
84.04491	1.4
84.08134	2.5
85.02919	1.8
85.04057	1.2
86.06084	0.7
86.09690	2.7
88.03992	21.6
88.04541	1.1
91.05492	2.5
92.07300	0.7
93.07019	0.9
95.04964	0.7
97.02876	1.1
97.03998	5.5
97.07648	3.4
98.02426	1.0
98.06049	1.9
108.53382	0.8
110.07160	1.4
114.10294	7.4
115.05463	1.6
115.08656	2.3
116.07094	0.9
117.03362	1.6
117.05764	0.9
117.07030	1.3
118.06546	17.7
119.04914	1.9
122.06011	1.1
128.11818	2.0
130.06526	44.6
131.12819	1.1
132.08090	22.9
133.06120	1.2
142.06503	4.0
143.04507	17.6
143.07295	1.6
144.08078	13.7
145.02846	5.7
146.06007	66.3
147.04434	7.3
147.06291	1.4
147.08058	1.0
149.05989	0.9
152.05661	4.1
153.04053	0.9
154.06494	2.1
156.08040	0.9
157.03836	0.8
157.07594	1.0
157.10831	2.8
158.08354	9.8
159.09180	21.7
159.88083	1.0
160.07576	3.1
162.05511	2.1
163.03859	1.2
168.08078	1.2
169.07613	9.1
170.06009	11.7
171.09158	4.6
177.05476	7.0
182.06032	2.2
183.09273	1.9
184.07492	1.1
185.07143	1.5
187.08678	3.5
188.07065	100.0
189.07397	3.0
191.03354	1.0
197.07179	1.1
198.05542	1.0
205.09712	27.4
211.08722	2.3
212.07159	1.0
215.08141	1.5
221.07039	1.1
222.07806	0.9
229.09712	0.8
239.08220	2.5
243.07715	8.0
256.10898	4.0
257.09259	1.5
260.10205	4.0
261.12476	1.0
262.10822	1.4
274.11865	18.9
277.15546	1.3
284.10217	3.5
285.08701	10.5
302.11368	7.3
303.17789	1.2
320.04919	1.1
320.12430	8.4
320.16879	3.1
320.20569	1.0
321.15552	2.5
321.19043	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	319.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69345	3.8
53.03939	4.2
55.05501	16.8
67.05503	47.3
69.07067	19.8
71.58482	6.0
71.58879	4.0
79.05061	5.7
79.05492	71.0
80.48288	3.6
80.65113	3.5
81.07057	54.5
83.08618	8.3
91.05465	30.0
93.06474	6.7
93.07044	100.0
95.04961	10.4
95.08597	37.8
97.06512	3.8
97.10180	6.4
105.07031	13.4
107.08600	64.7
108.08914	3.9
109.10157	13.1
111.33114	4.4
119.08576	13.3
121.10136	52.8
131.08578	7.2
133.10135	8.6
135.11690	53.4
143.08417	3.6
145.10115	6.4
149.13252	42.0
161.13330	4.3
163.14821	17.8
173.13210	4.7
177.16376	5.6
287.23798	9.3
319.26291	46.5
320.26297	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	319.2268
Annotation	11-oxo-ETE
Peak:m/z	Relative Intensity
50.20603	3.1
50.97206	3.0
55.01850	9.2
55.05500	15.0
56.05033	8.3
57.05355	3.6
57.07068	13.0
57.48501	3.6
58.06597	4.9
60.04523	16.7
67.05500	15.9
69.03405	4.1
69.07063	15.0
70.06580	3.7
70.15984	4.1
71.04975	4.0
71.08611	5.3
71.58314	6.0
74.06075	6.5
75.64052	3.5
79.05496	11.2
81.07069	23.7
83.04976	14.9
83.08611	4.6
84.08131	4.8
88.07649	27.1
89.07960	7.0
91.05486	10.6
93.07053	9.3
95.04971	10.1
95.08622	29.4
97.06545	11.2
98.09560	3.9
105.07022	14.4
107.08599	18.1
109.06551	19.4
109.10181	11.6
119.08578	17.7
121.06499	6.7
121.10158	11.9
123.08070	14.0
123.11711	9.4
131.08569	7.2
133.10155	10.7
135.08060	49.2
135.11667	8.1
136.07608	10.9
137.07930	4.6
145.10161	5.1
147.08076	7.9
147.11685	8.0
149.09604	4.8
157.10094	4.5
159.11758	4.4
161.09602	7.7
161.13213	5.2
163.11186	5.8
165.12704	5.1
173.13272	5.1
175.11201	7.5
175.14873	8.0
177.12746	4.7
177.16434	4.9
185.13246	7.1
187.14937	4.5
189.12674	18.6
201.16483	4.0
203.14299	8.3
205.15901	16.2
217.15878	4.0
222.14925	4.9
223.15192	14.1
241.19572	7.7
257.26602	7.8
259.20560	62.0
271.28271	28.5
273.22141	25.9
276.89905	3.7
283.20596	5.5
301.21686	48.9
315.21518	3.4
319.04587	4.2
319.15540	4.3
319.22552	21.6
319.30322	100.0
320.25781	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2267
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
50.14812	2.6
53.03938	5.7
55.05519	16.2
56.91400	2.6
58.21228	2.7
67.05501	32.1
69.03423	8.2
69.07071	16.4
69.25798	23.9
69.26221	9.2
71.05000	5.2
79.05495	31.0
81.07059	72.7
83.05008	3.2
83.08616	7.4
91.04525	3.0
91.05468	29.0
93.06477	4.1
93.07045	59.5
95.04958	12.8
95.08051	4.6
95.08604	50.2
97.06495	3.5
105.07029	47.8
107.04943	4.2
107.08589	51.0
109.06516	10.0
109.10149	31.4
111.08060	6.3
117.07003	13.2
119.08576	30.9
121.06496	5.0
121.10139	24.7
123.08051	10.3
123.11695	34.0
125.09631	4.1
129.07010	8.1
131.08568	19.9
133.06429	3.9
133.10141	33.1
135.08057	10.6
135.11668	10.9
137.09631	9.9
143.08551	12.5
145.10110	26.5
147.08000	5.5
147.11728	17.3
149.05962	3.4
149.09619	9.5
149.13260	8.2
151.03891	5.4
151.11166	12.3
155.08553	5.8
156.09421	4.6
157.10100	16.4
159.08054	7.5
159.11720	23.6
161.09586	13.9
161.13264	14.7
163.11157	6.2
165.09088	3.7
169.10094	7.0
171.11694	13.8
173.13272	19.5
175.11165	8.8
175.14848	5.7
176.14412	4.4
177.05438	9.6
177.12659	5.7
183.11713	6.2
185.09644	4.9
185.13245	14.5
187.11198	9.9
187.14828	13.2
189.12755	7.8
195.11609	3.6
197.13234	5.9
199.11137	4.5
199.14786	11.1
201.12756	7.1
203.14299	7.8
209.13277	6.4
211.14818	3.4
213.12764	5.9
213.16328	6.6
215.14296	11.7
217.15833	3.7
223.14781	5.0
225.01514	3.2
225.16261	3.9
227.08267	4.5
227.14276	10.4
229.16005	3.7
229.86685	3.0
241.09604	4.6
241.15804	3.5
245.15381	7.9
253.19527	5.5
255.21065	18.2
257.18967	4.3
265.19473	9.0
269.09195	4.0
271.20578	12.2
273.22226	18.1
283.20511	60.7
287.10126	4.9
301.12057	3.9
301.21619	100.0
319.19247	4.1
319.22717	72.9
320.22864	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	319.1653
Annotation	Phomamide
Peak:m/z	Relative Intensity
53.03941	1.1
55.01858	1.1
55.05497	2.3
56.05033	0.8
57.03439	3.7
60.04523	1.3
68.05013	1.6
69.03407	1.6
69.07059	1.3
70.02956	0.7
70.06575	2.6
70.10433	3.3
72.04496	0.7
72.08150	4.8
73.08475	1.4
74.02452	0.7
79.05496	1.1
80.05032	0.7
81.03423	0.8
81.07048	4.6
82.06577	2.2
84.04489	1.9
84.08126	2.4
85.02885	1.0
85.26648	0.7
86.09703	9.1
87.09980	0.7
88.03984	1.3
91.05457	2.0
95.04972	1.0
95.08579	0.8
96.04527	0.6
96.08101	1.0
97.02913	0.7
98.06017	1.0
98.09671	1.4
98.97556	0.8
99.08070	0.9
102.39243	0.6
105.03392	2.0
107.04944	0.8
110.07121	0.9
110.09628	0.8
110.78315	0.6
114.05541	0.8
115.05451	1.4
118.06525	0.8
119.04923	1.7
120.08102	0.9
121.06500	1.1
123.04419	0.7
128.07089	1.3
129.10237	0.9
130.06520	36.0
130.08623	1.5
132.04443	1.5
132.06573	0.8
132.08076	1.5
132.10184	3.7
135.04442	0.8
143.07260	0.8
144.08057	1.7
145.10149	0.8
146.05974	3.7
147.04417	4.7
151.03897	1.1
153.01808	3.4
156.06816	9.1
157.07603	60.4
158.05991	6.2
158.07932	1.6
158.19138	0.7
159.09163	1.1
159.11299	2.4
160.06044	2.8
160.07573	3.6
160.11652	0.8
166.04918	0.7
167.07158	1.5
168.08098	1.2
169.07610	4.8
171.04436	1.2
174.05505	1.0
174.07724	0.8
174.09160	1.5
177.05394	0.7
179.03386	1.0
179.79921	0.6
182.08264	1.5
183.09180	0.9
184.07607	0.8
185.07111	5.3
185.10712	3.3
186.11133	1.2
188.07082	1.4
197.10753	2.9
198.34309	0.7
202.07280	1.4
202.10713	1.2
203.08148	50.8
211.12267	3.0
215.08224	1.1
216.12276	3.6
229.13350	2.2
231.06682	0.9
239.11664	1.5
241.09689	0.9
245.04448	2.0
245.07962	0.9
255.06380	0.9
257.12833	23.1
258.13049	1.1
259.05966	5.1
270.09998	1.1
271.06027	2.2
273.07623	3.4
273.14496	1.6
275.13885	2.0
283.05801	1.0
301.15430	100.0
302.15750	2.7
319.04538	1.0
319.08109	27.2
319.12170	1.2
319.16412	11.7
320.08371	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01860	1.5
55.05497	3.3
56.05029	5.5
58.99577	14.3
61.01144	2.0
64.91788	0.9
66.25037	0.8
67.05491	4.1
68.05031	2.4
68.99783	3.9
69.03416	2.6
69.07052	1.9
69.24139	2.9
69.24564	9.2
70.02940	1.8
72.08140	2.3
73.01123	1.1
74.00661	2.5
76.02227	5.3
76.02828	0.8
76.04008	1.3
79.05494	4.5
80.05015	2.5
81.03400	3.1
81.07049	11.4
82.06603	1.0
84.04484	2.0
85.01112	7.7
85.02892	1.4
85.04041	1.2
86.00649	33.8
86.99048	1.5
87.02685	3.5
88.02209	3.2
91.05462	1.5
93.07022	2.5
94.06552	1.8
95.04978	1.1
95.08602	9.4
96.08162	2.3
97.01091	1.6
98.09695	16.1
98.21537	1.7
100.02190	1.8
101.04249	5.7
102.05558	5.0
105.07028	4.4
108.08124	1.3
109.02885	2.6
109.08841	1.0
110.09682	4.6
111.00796	2.4
112.03944	2.7
113.04221	19.7
115.05746	1.0
116.01670	7.1
117.03366	1.2
119.08595	1.9
120.08119	1.0
122.09659	6.7
123.04423	1.3
123.08071	7.3
127.03890	1.2
127.05794	1.3
129.07335	21.2
130.05023	1.8
130.06816	2.7
130.08539	1.3
137.02330	2.5
139.05748	4.1
143.02705	4.8
144.52415	1.1
145.02815	2.5
145.06079	2.9
145.10118	1.2
153.01833	13.0
156.08417	88.9
156.10214	10.6
157.08789	1.3
161.05974	1.3
162.02171	2.4
165.01852	3.6
165.12784	3.2
166.04976	1.1
177.05458	3.8
179.03334	2.3
179.04808	1.6
183.02873	1.0
189.03290	6.6
189.04919	1.0
198.09483	19.1
213.10533	1.9
216.06981	3.5
216.10521	100.0
217.04935	5.4
217.10710	2.2
226.08940	3.8
229.04796	1.2
245.04504	5.4
255.11584	1.7
259.11102	93.3
260.11469	2.3
273.03864	6.1
273.12466	2.7
283.11044	1.5
290.04068	1.0
301.11902	7.4
319.04495	60.8
319.13171	68.9
320.04779	4.5
320.13400	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	319.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07144	0.7
53.38400	0.8
54.70737	0.8
55.01580	0.7
55.01859	1.2
55.05502	1.7
56.05030	2.1
57.49139	0.8
58.99579	3.4
60.80182	0.8
61.01134	0.9
67.05481	1.1
68.05012	1.2
68.15048	0.7
70.70754	2.2
70.71114	1.4
72.08130	3.4
74.00661	3.8
76.02206	2.3
79.05469	2.0
80.05014	1.3
81.03417	1.2
81.07053	4.3
82.06562	1.0
84.04481	1.0
84.08107	1.2
85.01125	4.4
86.00134	1.6
86.00649	27.4
87.02695	1.6
88.02193	2.5
93.07018	1.1
94.06524	0.9
95.08599	4.5
96.08120	1.9
98.09696	7.2
100.02144	0.9
102.05526	2.3
105.06993	0.9
110.05981	0.9
110.09649	2.9
112.03931	1.3
113.04221	11.3
115.44209	0.7
116.01691	2.1
122.09676	5.4
123.04456	1.8
123.08054	3.6
127.83234	0.9
129.07353	1.5
130.06848	1.1
139.05745	2.2
143.02704	1.3
144.01083	1.2
152.01077	1.2
156.08420	73.3
156.10211	4.9
157.08751	1.4
162.02190	1.3
167.03432	2.1
198.09467	20.0
213.10529	4.4
214.01633	0.7
216.07002	2.8
216.10527	100.0
217.10831	2.5
226.08774	1.7
241.04997	2.6
245.08180	1.1
255.11493	1.6
259.11121	46.1
260.11356	1.5
270.48361	1.0
273.12292	3.1
283.11105	1.8
301.12057	6.6
319.04514	2.3
319.13199	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01870	1.6
55.05501	4.4
56.05032	4.8
56.96534	1.3
57.03418	1.2
58.99585	4.8
61.01144	0.8
62.69680	0.8
67.05485	3.8
68.05019	1.2
69.03427	1.5
69.07053	1.1
70.06570	1.4
70.18929	1.7
70.19331	1.8
72.08137	3.8
74.00649	4.2
76.02209	4.1
79.05489	6.4
80.05001	1.8
81.03403	2.2
81.07063	8.7
83.08601	1.0
84.04488	3.2
84.08161	1.5
85.01144	5.4
85.44469	1.0
86.00134	1.8
86.00650	36.2
86.01168	2.1
86.99063	1.1
87.02682	1.6
88.02213	3.1
91.05468	2.6
93.07039	4.8
94.06583	1.0
94.07367	1.2
95.04945	1.8
95.08621	6.2
96.08115	2.5
97.01064	1.1
98.09687	9.2
98.21433	0.8
98.97585	2.1
99.08018	1.0
102.05517	5.4
105.03365	1.8
105.07012	2.7
107.08565	1.1
109.06507	1.0
110.09654	3.6
112.03975	2.9
113.04224	15.2
116.01659	6.3
116.98663	1.2
119.08581	1.3
121.10116	1.7
122.05988	1.3
122.09680	4.7
123.08040	5.3
129.07306	1.6
130.04977	2.9
130.06841	2.9
130.08615	1.6
131.08536	1.1
139.05734	3.9
143.02632	2.0
145.06114	1.7
146.02698	1.9
149.01303	1.2
149.09651	1.2
156.08417	90.2
156.10194	8.3
157.08713	2.5
162.02158	2.7
166.05110	1.0
177.00917	0.9
186.99083	1.5
189.03357	1.6
191.02274	2.1
198.09444	21.1
213.10573	1.4
214.08812	1.0
216.06985	4.8
216.10519	100.0
217.10912	1.7
226.08968	1.5
227.11787	1.9
228.10361	1.1
242.08305	1.4
255.11452	3.0
259.11105	58.8
260.11472	2.1
272.11264	1.9
273.12344	5.0
280.41315	1.0
283.10934	3.1
301.11893	6.4
301.15009	1.4
302.11685	0.9
319.04532	3.7
319.13193	59.9
320.13522	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0446
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
55.01856	1.6
55.05497	0.6
65.03924	0.9
67.05498	1.1
68.99788	3.2
69.03410	0.7
69.07054	0.7
70.73970	0.7
70.74313	1.1
71.01335	0.5
74.38074	0.6
77.03511	0.5
79.05476	0.8
81.03399	1.8
81.07043	1.8
91.05481	0.8
93.03423	0.6
93.07023	1.4
95.01308	1.3
95.04958	1.8
95.08574	1.1
98.58644	0.4
105.07021	1.0
107.01289	0.9
107.08598	0.8
109.02839	1.4
109.10144	0.9
111.00787	0.8
115.05442	1.6
119.04931	0.5
119.08520	0.7
121.02831	2.1
121.10143	0.6
123.00791	2.6
123.04394	1.8
125.02328	0.9
127.03894	1.2
131.04935	0.7
137.02342	25.0
137.03413	2.4
137.09613	1.0
139.00208	0.7
141.01836	0.6
143.04921	1.1
147.04433	2.6
147.11615	0.6
149.02299	0.5
150.03131	0.8
152.96869	0.5
153.01833	9.5
161.05969	1.5
165.01823	1.6
167.08400	0.5
168.90176	0.5
169.01326	9.5
171.02979	0.9
171.04375	3.7
175.03857	0.6
175.11211	0.6
179.03465	0.8
181.01332	2.4
183.02913	0.5
185.00798	0.8
189.05409	2.2
199.03893	4.3
201.05609	0.5
203.03363	1.0
217.04933	4.1
221.04387	0.7
227.03401	2.3
229.04980	0.6
244.03584	0.6
245.04475	9.3
255.02791	1.9
263.05453	2.0
273.03909	23.0
283.02222	1.1
290.04221	1.3
301.03418	15.2
302.03882	0.7
304.04858	0.7
319.04431	100.0
320.04782	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.081
Annotation	Taxifolin 3-methyl ether
Peak:m/z	Relative Intensity
53.03933	0.9
55.01861	1.0
60.06481	0.5
65.03924	0.5
67.01841	0.6
67.05479	1.0
68.99794	3.5
79.05489	1.4
79.65805	0.5
81.03403	1.5
81.07056	0.5
84.08134	0.5
91.05486	2.5
93.03445	0.6
93.07030	0.9
94.40468	0.5
95.01324	0.9
95.04951	1.3
105.03400	4.6
105.07015	0.9
107.04940	1.4
109.02876	1.4
109.06503	0.5
111.00784	2.0
115.05433	0.7
117.07023	0.6
119.04935	3.0
119.22938	0.4
121.02827	2.4
121.06480	0.9
123.00777	0.8
123.04414	1.4
125.02308	1.3
127.03922	1.2
131.04932	0.7
133.06479	0.6
135.04428	1.7
137.02341	13.4
137.03380	0.7
139.03867	0.5
143.03371	0.6
143.04904	0.9
145.06496	0.5
147.04420	2.3
149.02388	0.7
149.06044	0.6
151.04128	0.4
153.01822	17.7
157.02762	0.4
157.06462	0.6
161.05972	1.5
163.03922	0.8
165.01817	2.7
169.01315	7.4
171.02969	1.0
171.04366	4.9
173.05873	0.6
175.03905	0.7
177.05424	0.7
179.03387	3.5
181.01300	1.8
183.02933	0.7
185.00795	0.7
189.05431	2.6
193.01172	0.5
193.04988	0.5
195.02888	1.6
199.03856	3.4
201.05434	0.5
203.03391	1.1
205.04900	1.2
207.02791	2.2
209.05971	0.4
213.05408	0.7
215.07071	0.5
216.04329	0.5
217.04874	3.8
217.08473	0.6
219.02837	1.1
219.06485	0.4
221.04437	0.7
227.03401	1.8
227.07018	0.9
229.05016	1.8
230.05653	1.5
231.02983	0.8
231.06519	2.3
232.03679	0.8
233.04503	1.3
237.05525	0.5
243.06519	1.0
244.03650	0.7
245.04440	11.0
245.08144	1.7
247.06032	1.0
255.02937	1.7
255.06467	2.9
257.04367	1.4
258.05075	0.7
259.06009	16.1
260.06671	0.8
263.05505	1.1
271.06021	10.3
271.72507	0.5
273.03912	11.7
273.07529	6.8
283.02634	0.8
283.05984	3.7
289.07019	0.5
290.04175	1.2
301.03403	9.1
301.07028	3.6
319.04431	80.6
319.08109	100.0
320.04733	3.3
320.08447	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	319.0446
Annotation	Myricetin
Peak:m/z	Relative Intensity
52.01429	0.2
53.03954	0.2
55.01857	0.5
65.03928	0.8
67.01861	0.5
68.99432	0.4
68.99785	5.1
69.03409	0.6
70.93392	0.5
70.93743	0.3
72.00906	0.3
78.70241	0.2
79.01842	0.4
81.03404	1.1
91.05463	0.3
93.03396	0.4
97.02895	1.1
98.84037	0.2
102.80425	0.2
103.05492	0.3
105.06995	0.3
107.01366	0.3
107.04903	0.3
109.02883	3.0
111.00799	5.2
111.04438	0.9
115.05436	0.4
121.02912	0.6
121.06496	0.6
123.09892	0.2
125.02339	1.0
126.03133	0.6
127.03919	0.7
133.02844	0.4
133.06473	0.5
137.02332	4.9
139.03877	0.7
143.03365	0.5
147.04419	0.9
149.02374	0.4
153.01820	27.1
154.02086	0.4
155.23276	0.2
161.02332	0.5
161.05952	1.0
163.03928	0.4
165.01830	7.3
166.02650	1.2
171.04439	1.0
175.03906	0.7
177.05481	0.7
179.03400	4.0
183.02907	2.2
189.01831	0.5
189.05458	2.6
193.01367	0.6
193.04945	0.3
194.02051	0.3
195.02890	1.8
199.03917	0.9
203.03386	1.7
207.02849	0.8
216.04189	0.5
217.04944	10.2
218.05286	0.4
219.02812	0.5
221.04448	0.8
227.03365	1.1
229.04930	0.6
231.02866	0.9
231.35406	0.2
232.03760	0.3
233.04443	0.2
235.02353	0.4
235.05978	0.8
244.03716	1.2
245.04446	11.4
246.04926	0.3
249.03996	0.3
255.02936	1.4
261.04016	0.2
263.05438	1.3
271.02051	0.2
272.02945	0.3
273.03918	10.5
283.02316	0.5
290.04178	2.5
301.03366	2.1
319.04459	100.0
320.04779	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	318.2999
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
57.06823	0.7
57.07075	8.2
58.06590	1.8
69.86111	2.1
70.06592	17.2
71.08627	4.1
85.10204	0.8
88.07631	23.9
102.09177	16.2
132.10168	1.2
146.11792	0.8
212.23711	1.7
242.08469	0.5
247.84882	0.5
256.26346	46.0
257.26675	1.7
300.28922	2.8
318.30023	100.0
319.30460	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	318.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.4
57.07075	9.3
58.06590	0.6
61.04802	0.3
62.68928	0.3
67.05489	0.3
68.05018	0.4
69.36408	1.7
69.36830	1.1
70.06593	18.5
71.08630	4.0
71.17944	0.3
74.06063	0.5
76.33157	0.3
81.07047	0.4
83.38706	0.3
84.08135	1.2
85.10168	1.2
86.06057	0.5
86.09679	0.5
88.07630	18.4
102.09168	1.2
105.07016	0.3
106.08672	2.6
110.34378	0.3
114.09171	5.8
118.07928	0.4
118.08614	1.8
130.08609	0.4
132.10204	22.5
150.11252	19.5
159.11749	0.3
190.88954	0.3
202.79500	0.3
242.24757	1.1
252.05043	0.3
256.26361	1.2
274.27396	6.2
318.30020	100.0
319.30392	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	318.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.0
55.05511	7.6
56.05021	1.4
56.96553	2.3
57.03430	1.7
57.05780	1.4
60.04525	26.7
60.29346	1.0
68.05021	1.0
68.99774	1.9
69.03428	1.7
69.07048	1.6
70.02947	2.0
70.06589	6.5
72.08154	79.4
73.08490	1.1
76.76152	1.2
78.58929	1.0
79.05460	2.8
81.03430	1.4
81.07024	3.3
84.04478	1.6
84.08158	5.1
85.02879	2.3
86.07162	0.9
86.09708	37.1
87.05591	14.1
87.07946	1.6
88.03960	1.3
90.05517	1.0
91.05467	3.3
95.04974	1.3
96.08119	2.8
98.06059	1.4
98.97562	2.1
105.03359	2.3
105.07072	1.3
105.51752	1.0
107.04964	1.5
110.07139	1.6
112.11220	1.5
114.09161	17.2
114.10295	2.3
116.98615	1.3
118.08630	1.6
119.04922	4.0
120.08086	1.3
123.04330	1.0
128.10764	2.5
130.06543	8.6
132.10234	6.6
132.11037	1.1
134.99696	2.1
135.04419	1.3
137.06020	1.4
142.08717	1.4
146.06007	3.0
147.04408	8.4
151.03941	1.2
153.01859	6.2
156.06767	2.4
157.07591	14.3
157.10791	1.9
158.05991	2.7
159.11285	100.0
160.07555	1.2
160.11661	1.9
160.70284	1.3
165.01880	1.6
165.05443	1.4
171.04483	1.2
173.12857	22.1
179.03461	1.9
187.10771	23.5
188.07063	2.0
201.12314	4.1
203.08139	9.6
207.02367	2.1
213.02422	1.4
216.12242	3.2
219.13310	1.4
229.04893	2.0
245.04514	3.8
245.08049	1.9
257.12845	4.9
258.04059	2.0
258.16199	1.3
259.06015	8.9
259.14352	1.5
271.06024	5.2
273.04343	1.3
273.07507	4.0
300.13403	1.5
301.07001	2.0
301.12082	1.5
301.15433	21.3
303.04572	2.6
318.06949	4.0
318.19351	10.2
318.30167	1.3
319.05170	1.9
319.08112	53.6
319.65088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18375	1.2
53.41877	1.3
55.01855	1.4
55.05508	6.0
56.96567	1.7
58.06590	1.1
59.04875	1.2
59.06119	2.4
60.04498	1.4
60.05645	10.0
67.05508	1.7
68.05019	1.6
69.41698	11.7
70.06593	32.3
72.08156	43.6
73.02905	1.1
73.06434	2.8
84.04507	4.6
84.08134	5.2
85.02897	4.0
85.04033	2.5
86.07199	10.8
86.09706	4.3
87.05570	1.6
87.07974	13.6
88.03987	2.7
91.05480	7.1
93.07050	2.1
94.06576	1.5
95.06059	1.5
96.04469	2.4
96.08144	3.2
97.04039	2.3
97.07653	9.5
98.06065	9.0
98.07182	1.6
100.08728	4.7
103.05463	1.7
105.07033	2.0
107.04968	14.2
110.05980	2.1
110.07191	2.4
111.09209	2.2
112.08731	5.5
113.03455	1.9
113.10766	1.6
114.05495	1.3
114.10295	27.7
115.05469	2.1
115.08691	8.7
117.03407	1.6
117.07022	1.8
118.06527	5.0
119.04982	8.5
119.06918	4.2
120.08086	2.6
122.06021	4.4
125.03441	1.6
127.03077	1.3
127.03919	1.4
128.03407	2.0
128.07080	2.7
129.10294	1.2
129.11401	2.1
130.06532	17.9
130.12097	1.7
131.04861	1.2
131.12910	5.0
132.04469	6.3
132.08095	3.8
133.06477	3.6
134.06017	5.2
136.07597	3.1
137.02335	1.9
138.05505	2.3
138.09157	1.4
138.10254	3.7
140.96220	1.3
142.06537	2.0
145.02853	3.4
145.06468	5.2
146.03581	2.8
146.06015	33.6
147.04416	44.2
148.04800	2.4
153.10231	1.5
153.11366	2.7
154.05006	8.9
155.06108	1.2
155.12912	3.3
156.06572	11.3
156.10193	3.7
157.07605	5.9
157.10846	26.9
158.05989	7.6
159.09155	2.4
160.07564	11.2
161.05949	1.5
162.05508	3.1
162.09164	5.3
167.04506	2.8
169.07677	2.5
170.06024	8.1
171.04390	2.4
175.08711	5.0
185.07129	3.0
187.08685	1.6
188.07085	35.5
202.07114	3.6
205.09741	4.9
216.10133	2.4
217.09720	2.0
217.13387	2.0
221.09277	3.2
237.06763	6.5
240.07695	2.9
246.09743	5.2
255.07570	1.4
256.26566	1.7
258.08755	4.2
258.15979	9.5
259.14435	38.1
260.10089	1.5
260.14133	2.1
275.14975	2.7
276.16110	3.9
277.16684	6.8
278.17392	12.6
282.08713	5.3
300.09833	12.9
300.13089	2.2
300.18286	2.4
301.16589	18.5
318.11081	3.8
318.19254	100.0
319.04544	2.1
319.19199	1.7
335.26050	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57464	0.4
55.01860	0.5
55.05489	0.4
56.96557	2.1
57.03431	0.6
61.02916	1.0
61.25814	0.5
69.03426	1.7
69.50704	3.3
69.51114	0.8
70.06584	0.9
70.98107	0.5
71.98750	0.4
72.08160	3.7
73.02917	1.1
81.03431	0.7
82.06557	1.2
84.04464	0.7
84.08148	3.8
85.02902	3.2
85.08475	0.6
86.09698	1.2
95.06017	0.6
97.02892	2.1
98.97585	1.8
101.10790	0.5
109.05251	1.1
110.06064	5.0
110.06732	0.5
110.07140	0.9
112.99033	0.7
114.34686	0.6
116.98598	0.7
118.09179	0.4
119.01899	1.5
125.03624	0.5
125.39557	0.4
127.03922	0.6
129.10233	0.6
131.00177	1.0
131.01863	0.5
133.03529	0.7
137.06041	0.8
138.05501	51.8
139.05843	0.8
143.11783	1.8
146.99600	0.7
148.06082	0.9
149.01202	0.7
156.06552	100.0
157.06927	1.4
161.02928	0.6
165.00673	0.7
168.03334	0.5
171.11292	0.7
178.04929	1.4
186.04427	0.8
193.03693	0.5
222.06584	0.7
237.02835	0.7
237.08119	1.2
277.07666	0.5
277.26193	0.5
288.33463	0.4
318.11664	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
55.01885	2.3
55.05511	16.3
57.07072	9.6
58.90697	2.1
59.04995	7.8
59.27733	2.3
65.03919	2.9
67.05505	67.8
69.03411	5.9
69.07065	8.3
69.85361	15.8
71.04980	3.6
73.53281	2.2
79.05499	17.3
81.07048	40.5
83.04965	3.7
83.08613	5.1
85.06551	4.7
91.05464	21.5
93.07046	31.6
95.04970	38.9
95.08596	27.6
97.06535	7.7
101.99187	2.8
105.07027	21.9
107.04958	3.0
107.08593	52.8
109.06516	23.4
109.10155	100.0
117.07003	5.9
119.08574	70.9
121.06470	11.7
121.10111	12.3
123.08063	37.8
125.05982	4.1
125.66544	2.6
128.06279	4.2
129.07021	5.7
131.08568	11.6
133.06502	4.4
133.10127	11.5
135.08055	12.7
137.09613	81.1
139.07486	2.8
143.08559	7.0
145.10130	13.2
147.08061	5.2
147.11691	8.8
149.09602	9.7
151.07532	80.8
153.05457	8.1
156.09395	3.5
157.10100	4.0
159.08014	3.2
159.11685	6.0
161.09647	9.8
163.11220	6.3
165.09099	10.1
167.07141	3.0
171.11775	6.1
173.13286	5.1
175.11250	4.3
177.09067	2.8
181.08647	5.9
187.14697	2.8
189.12708	31.9
197.13258	3.6
199.11162	4.2
201.12668	4.7
203.14215	4.6
207.13811	32.9
213.12613	3.0
215.14250	3.3
217.16052	2.8
221.15326	5.7
237.14816	7.9
243.13864	9.2
256.26096	3.1
261.14926	5.9
263.17886	2.7
280.25806	2.4
281.19055	4.2
299.16965	2.4
299.19904	14.4
317.21103	72.8
317.24603	4.5
318.21570	3.4
318.30035	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	317.211
Annotation	rac 4-Hydroxy-9-cis-retinoic Acid
Peak:m/z	Relative Intensity
55.05499	9.2
57.07066	11.9
57.22842	4.4
60.04529	10.1
62.15057	4.9
67.05486	22.8
69.07052	19.1
70.06570	10.8
71.04307	12.0
71.08601	6.7
79.05496	24.4
81.07049	34.2
83.08623	5.2
83.87106	4.7
84.08127	8.8
85.10168	6.0
88.07635	24.4
91.05479	28.7
93.07046	29.7
95.04963	12.4
95.08600	27.6
97.06514	4.8
105.07027	34.6
106.08633	11.4
107.08582	51.2
109.06516	13.5
109.10155	35.9
111.08064	6.6
117.07004	9.2
119.08559	42.4
121.10149	40.6
123.08054	16.9
123.11707	47.5
125.90745	5.5
128.58362	5.5
129.06996	8.8
130.37407	5.1
131.08559	17.1
132.57953	5.1
133.10126	28.4
135.08049	23.9
135.11687	17.4
137.09647	11.8
143.08516	16.7
145.10127	23.2
147.11679	17.6
149.09608	17.6
151.11183	6.2
153.09100	6.3
155.08528	7.8
156.09219	5.5
157.10121	14.8
159.11699	22.6
161.13252	15.0
163.11151	5.8
165.09160	5.8
169.10086	10.7
171.11699	18.0
172.95209	5.8
173.13229	12.0
179.10675	9.3
181.12245	13.0
183.11678	13.0
185.13322	6.8
187.14825	6.7
197.13289	16.6
201.12640	8.2
211.14708	6.6
213.16359	8.2
215.17905	4.9
217.12297	5.8
227.17982	5.2
229.12186	6.0
239.18028	30.4
243.13890	7.0
253.19501	11.6
255.17548	6.3
257.18991	19.6
276.06683	5.0
281.19037	11.9
287.20084	5.9
299.20078	53.6
300.20319	5.2
302.04196	9.3
317.06476	17.3
317.21320	55.7
317.24750	9.9
317.32404	100.0
318.24414	11.9
318.29993	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	9-Deoxy-xeniolide A
Peak:m/z	Relative Intensity
51.93583	0.7
53.03941	2.8
53.93085	0.8
54.84819	0.7
55.01865	1.2
55.05508	5.1
57.03429	1.6
65.03931	1.5
65.25128	0.8
67.05499	7.8
69.03426	2.0
69.07063	3.2
69.31165	3.3
69.31594	5.0
70.06604	1.7
71.04993	1.2
79.05487	28.6
80.05836	1.1
81.07052	100.0
82.07369	1.7
83.04987	2.2
83.08626	1.6
84.04501	1.0
85.06589	1.0
91.05474	6.1
93.07036	8.3
94.67809	0.7
95.04957	4.2
95.08601	8.5
97.02882	1.0
97.06510	1.9
99.08095	2.3
105.07036	10.2
107.08578	8.3
109.06510	27.7
109.10153	3.8
111.04427	0.9
111.08072	2.9
117.07027	2.1
119.08584	10.9
121.06498	2.1
121.10114	5.2
123.08063	4.1
127.07540	1.1
128.06215	1.4
129.06996	1.6
131.08546	5.8
133.10141	6.1
135.08061	5.3
135.11705	2.9
137.06018	0.8
137.09599	2.0
141.06902	0.9
143.08571	6.0
144.09369	2.0
145.06436	1.0
145.10114	7.9
147.08060	3.5
147.11684	4.0
149.09602	6.0
149.13280	1.8
151.07558	1.4
155.08583	2.3
156.09351	3.2
157.10124	4.8
158.10854	2.4
159.08072	2.9
159.11656	7.4
160.08797	1.1
161.09618	4.7
161.13237	8.5
162.10402	1.0
163.07477	1.4
163.11206	2.6
163.14824	3.1
165.09109	5.1
167.08690	1.1
167.10811	1.0
169.10191	4.1
169.28746	0.8
171.11690	10.7
172.08853	1.0
172.12419	1.0
173.09641	3.7
173.13263	10.4
174.10388	1.2
175.07492	1.1
175.11154	12.2
175.12523	1.0
175.14761	2.1
176.11914	1.0
176.15160	1.7
177.09164	1.9
177.12738	10.2
179.14343	2.4
182.10951	1.0
183.08139	0.8
183.11723	2.8
185.09628	1.6
185.13257	4.7
187.11208	4.6
187.14771	1.5
189.09091	1.1
189.12726	21.6
190.13556	4.6
191.14293	35.4
195.11766	1.8
197.13225	5.0
199.11131	2.4
199.14792	1.4
201.11076	0.9
201.12715	5.1
203.10689	1.4
203.14320	4.4
205.12279	3.0
207.11975	1.3
207.13680	4.2
209.13342	1.6
209.15369	3.0
211.11130	1.7
211.14851	2.6
213.12793	2.9
215.14320	3.4
217.12292	3.1
218.13040	3.3
219.13805	3.6
221.13315	1.0
223.14906	1.2
225.12849	1.4
225.16434	1.3
227.14426	1.1
231.13818	8.4
236.14041	1.8
239.14326	1.4
239.17963	2.0
241.19649	0.9
243.13687	1.5
249.14859	9.3
251.18050	1.6
252.05020	2.1
253.19489	4.0
256.18262	1.0
257.15448	2.1
257.18951	1.6
263.17978	3.4
269.18985	2.8
271.17499	0.7
271.20639	3.7
281.18973	13.6
287.20267	1.4
289.21829	1.0
299.20032	27.5
300.20279	1.3
302.04361	1.8
317.06635	2.0
317.20819	38.0
318.21164	1.8
318.24298	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	317.2111
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
51.87239	1.6
53.03941	2.2
55.01865	4.8
55.05512	14.5
57.07076	8.4
59.04985	4.9
60.04524	9.3
65.03956	2.3
67.05506	53.1
69.03417	5.3
69.07057	6.2
69.95358	9.0
70.06586	4.0
77.06349	1.7
79.05492	13.0
81.07055	34.5
83.04971	2.8
83.63642	1.5
85.06541	2.9
87.04460	2.8
88.07614	4.3
91.05479	21.9
93.07034	21.0
95.04971	30.5
95.08609	19.1
97.06535	7.0
99.20187	1.5
102.09187	4.6
105.07029	16.8
107.04994	2.3
107.08596	42.9
109.06526	19.9
109.10155	100.0
110.10487	2.1
117.07009	5.7
119.08580	57.2
120.08879	1.8
121.06503	7.0
121.10172	8.5
122.07262	2.4
123.08067	27.4
123.35567	1.8
125.05989	4.5
129.06969	1.9
131.08545	5.8
133.06461	5.2
133.10150	11.8
135.08076	10.0
135.11656	2.0
137.09618	66.9
139.07594	2.4
141.06992	2.0
142.07767	3.0
143.08556	4.6
145.10153	9.7
147.08049	5.9
147.11703	5.2
149.09607	7.0
151.07536	66.8
152.07880	2.4
153.05479	7.9
159.08083	4.5
159.11688	5.0
161.09584	8.2
161.13281	3.7
163.07481	1.7
163.11176	5.2
165.09123	6.7
167.07022	1.9
171.11690	6.0
173.09546	2.9
173.13335	3.1
175.11218	4.2
177.09167	5.2
181.08575	5.3
181.12201	2.7
182.10973	1.7
183.11790	3.3
185.13211	2.0
189.12756	23.8
190.13040	2.2
191.14371	1.9
197.13284	3.6
199.11168	4.1
201.12709	2.3
207.13802	29.9
213.12814	1.8
215.14336	2.6
217.12193	1.9
219.13722	2.5
221.15320	3.3
231.13763	1.9
237.14952	6.7
243.13860	9.5
256.26254	12.5
261.14938	4.2
276.16574	1.6
281.18979	1.7
283.78799	1.7
299.20117	11.9
307.68985	1.7
317.06607	2.3
317.21115	55.1
317.28818	3.2
318.21533	3.0
318.30075	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	317.065
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
53.03949	0.1
55.01865	0.4
55.05502	0.2
57.03434	0.2
59.18276	0.1
59.79058	0.1
65.03948	0.7
66.01080	0.3
66.04746	0.2
67.01861	0.2
67.05491	0.3
68.99805	0.5
69.03425	0.5
69.07056	0.2
70.18800	0.3
70.19170	0.6
71.01379	0.2
71.61366	0.1
72.08150	0.3
78.01076	0.2
79.05492	0.3
80.78410	0.1
81.03417	0.3
81.07054	0.7
84.08135	0.2
91.05475	0.6
92.02628	3.2
93.03405	2.2
93.07034	0.3
95.04984	0.3
95.08613	0.2
97.06539	0.3
98.20777	0.2
102.21294	0.2
103.05461	0.2
105.07014	0.5
107.04955	0.2
107.08572	0.4
108.02105	0.2
109.02854	0.4
109.06483	0.2
109.10168	0.3
110.03641	1.1
111.00814	0.4
119.04955	0.2
119.08569	0.5
120.02070	0.2
121.02868	2.3
121.10153	0.3
122.03641	0.3
123.04433	0.6
124.01575	0.2
126.03119	1.0
131.04919	0.4
131.08588	0.2
133.10138	0.2
135.08054	0.2
137.02356	2.6
137.03407	0.3
137.05939	0.4
137.09627	0.2
139.03920	1.2
144.05698	0.2
145.06509	0.4
145.10025	0.2
147.04402	0.4
149.02327	0.2
149.09619	0.2
151.03906	1.1
153.01826	16.0
154.02470	0.3
155.04900	0.3
158.06012	0.3
158.09608	0.4
161.06013	0.3
163.03922	0.5
165.01823	0.9
165.05478	0.6
166.02586	0.3
170.02090	0.5
173.05972	0.4
175.11324	0.2
176.04755	0.2
177.05460	0.5
178.02689	0.2
179.03372	0.4
181.04970	0.2
183.02902	0.3
183.04391	0.3
186.09106	0.9
187.02353	0.2
187.03897	0.2
189.05447	0.3
190.02655	0.2
190.06291	0.2
193.01318	0.4
197.06021	0.2
200.04698	1.5
201.05475	1.4
203.03403	1.8
204.04146	0.7
205.04767	0.3
211.03929	0.3
212.10643	0.3
215.03566	0.2
216.03882	0.2
217.04967	3.1
218.05771	1.1
219.02881	0.6
220.47943	0.1
228.04176	6.1
229.04950	7.4
229.13351	2.4
230.05455	0.2
231.02881	1.0
232.03656	0.3
243.06592	0.2
245.04454	5.2
246.05225	2.9
254.45758	0.2
256.03702	1.0
257.04465	4.5
258.05054	0.2
259.02435	0.2
260.03204	0.4
261.07544	0.4
271.05908	0.5
271.14444	0.4
273.03915	3.6
274.04709	9.8
275.05054	0.4
284.03238	0.8
285.03955	6.9
286.04321	0.3
287.01886	0.3
288.06360	0.3
289.03345	0.3
299.13635	0.2
299.19849	0.2
301.03430	10.6
302.04205	43.2
303.04541	1.3
317.06552	100.0
318.06897	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.01851	0.4
55.05508	0.3
57.27098	0.3
63.12323	0.2
63.26782	0.2
65.03920	0.4
66.01048	0.5
67.05457	0.4
67.60577	0.2
68.08832	0.2
68.99780	0.5
69.03405	0.7
70.06565	0.3
70.85423	0.6
72.08099	0.3
77.35236	0.2
79.05461	0.3
79.41346	0.2
81.03401	0.4
81.07008	0.5
84.08138	1.9
86.09711	2.1
86.37293	0.2
87.04468	0.3
87.10024	0.5
91.05432	0.5
91.77077	0.3
92.02594	0.7
93.03364	0.5
93.06992	0.8
98.97559	0.3
105.07003	0.7
107.04903	0.2
107.08533	0.4
109.02881	0.3
110.03667	3.0
111.08029	0.3
116.98665	0.3
119.04906	0.3
119.08474	0.3
121.02838	0.7
121.10020	0.2
122.03661	0.4
123.04380	1.0
126.03082	0.7
131.04840	0.4
133.10094	0.4
136.01541	0.3
137.01367	0.4
137.02341	6.0
137.03365	0.4
137.05978	0.4
144.05652	0.3
145.10094	0.4
147.04378	1.2
148.07527	0.3
150.03113	0.6
153.01830	4.3
153.05571	0.3
157.13327	0.9
161.05988	0.4
165.01807	0.4
165.05490	2.6
166.02562	0.4
170.02026	0.3
172.05162	0.4
179.03424	0.3
187.03992	0.4
189.05325	0.2
192.04153	0.2
193.01297	1.0
200.04686	2.8
201.05338	0.3
201.31117	0.3
203.03372	0.6
204.04178	1.1
215.03313	0.7
217.04863	1.3
218.05623	0.3
228.04163	8.3
229.04950	4.7
231.02892	0.4
245.04449	3.9
246.05209	1.0
256.03690	1.4
257.04410	3.3
272.18726	0.3
273.03940	2.3
274.04709	9.7
275.05060	0.4
284.03174	0.4
285.03897	3.4
287.10275	0.3
299.10272	0.5
299.23279	0.3
301.03418	30.1
302.04193	83.9
303.04437	1.2
317.06546	100.0
318.06882	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
52.27058	0.2
55.01796	0.2
56.22487	0.2
59.24017	0.2
59.25101	0.2
66.00990	0.4
68.23007	0.2
68.99700	0.4
69.73434	1.2
76.12580	0.2
78.00968	0.2
81.03297	0.3
88.04800	0.2
89.03783	0.5
92.02457	0.7
98.21490	0.3
107.04842	0.3
108.02014	0.3
110.03498	3.0
117.03182	0.7
120.02068	1.3
121.02792	0.3
122.03473	0.3
126.02959	0.4
135.04417	1.5
136.01408	0.3
137.02336	5.8
137.03285	0.4
138.02928	0.9
145.02686	0.7
148.01355	0.3
150.02959	0.6
153.01820	2.8
155.08463	0.2
163.03897	3.4
165.01718	0.3
166.02602	2.2
172.05046	0.2
177.05391	0.2
181.04947	7.9
184.03560	0.5
187.03763	0.3
193.01306	1.0
200.04689	2.8
203.03253	0.5
204.04224	1.3
207.06296	0.3
210.01314	0.3
215.03305	0.3
217.04845	0.6
218.05652	0.5
228.04152	8.1
229.04961	4.5
231.02809	0.4
245.02147	0.3
245.04442	4.2
246.05081	0.6
256.03592	1.5
257.04434	3.0
273.03882	1.8
274.04706	9.0
274.88214	0.2
285.03918	3.7
299.09134	0.7
301.03412	31.0
302.04190	77.3
303.04550	2.0
317.06555	100.0
317.09836	4.3
318.06924	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.065
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
65.03951	0.5
66.01082	0.4
67.05508	0.6
68.99810	1.1
69.03445	0.6
69.27187	0.3
69.27486	3.0
81.03425	0.5
91.05471	0.4
91.06501	0.3
92.02621	2.3
93.03409	1.8
98.20951	1.2
105.07023	0.3
109.02882	0.4
109.10223	0.3
110.03667	1.9
116.06223	0.3
121.02858	1.6
123.04442	1.2
126.03158	1.0
135.04411	0.3
137.02325	4.6
137.03333	0.3
139.03908	0.8
147.04454	0.7
150.03104	0.3
151.03912	0.9
153.00565	0.6
153.01819	11.9
161.06003	0.4
163.03932	0.8
165.01834	0.7
165.05481	1.6
166.02661	0.4
170.02095	0.4
171.04460	0.3
177.05467	0.5
187.03912	0.8
189.05467	0.4
191.03537	0.3
193.01350	0.6
200.04681	2.2
201.05461	1.3
203.03351	1.9
204.04178	1.2
205.04944	0.4
215.03398	0.6
217.04991	3.2
218.05693	0.9
219.02916	0.7
227.03242	0.4
228.04164	7.2
229.04955	7.1
230.05330	0.3
231.02866	1.0
232.03714	0.4
243.06882	0.3
245.04443	5.5
246.05194	2.3
247.02475	0.3
256.03696	1.0
257.04443	4.2
260.03293	0.4
261.03958	0.3
271.06015	0.5
273.03897	2.3
274.04694	10.5
275.04974	0.4
278.70435	0.3
284.03119	0.9
285.03943	6.4
288.06158	0.3
289.03436	1.3
299.05402	0.4
301.03412	20.4
302.04190	65.5
303.04514	1.3
317.06531	100.0
318.06891	3.3
330.48569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
60.73000	0.3
65.03930	1.0
67.05489	0.6
68.99789	0.7
69.03433	0.5
69.07057	0.3
71.57678	0.4
79.03436	0.3
81.03415	0.4
81.07011	0.4
84.08160	0.4
91.05462	0.6
92.02614	3.7
93.03410	2.9
93.07050	0.4
94.04178	0.3
95.04985	0.5
95.08604	0.5
97.06583	0.3
105.07018	0.4
107.08565	0.6
109.02834	0.3
109.06466	0.3
109.10166	0.3
109.75911	0.3
111.00744	0.4
117.63585	0.3
119.04971	0.3
120.02103	0.4
120.04446	0.3
121.02875	2.1
121.10134	0.4
123.04428	1.0
124.01563	0.4
126.03128	1.4
133.02852	0.4
133.10121	0.4
137.02348	0.4
137.05954	1.1
139.03911	1.8
145.10117	0.4
147.04375	0.6
147.08058	0.3
151.03917	1.4
152.00998	0.3
153.01825	19.4
154.02219	0.3
159.76796	0.3
161.05908	0.4
163.03922	0.6
165.01883	1.7
165.05466	1.0
166.02505	0.4
172.05270	0.3
173.05984	0.7
173.13277	0.6
177.05453	0.7
179.03430	0.5
183.02991	0.4
187.03938	0.4
200.04735	0.8
201.05452	2.0
203.03430	1.4
203.06693	0.3
204.04234	0.3
211.03723	0.3
217.04999	3.0
218.05728	1.2
219.02901	0.7
219.71230	0.3
220.62622	0.3
228.04176	3.9
229.04967	8.5
231.02792	1.4
232.03792	0.3
245.04457	4.4
246.05243	4.3
256.03708	0.5
257.04398	4.6
260.03162	0.6
261.07651	0.6
269.33728	0.3
271.06006	0.6
273.03915	3.2
274.04703	7.3
284.03088	1.1
285.03906	7.8
286.04358	0.3
287.12866	0.5
296.61398	0.3
299.20056	0.8
301.03366	0.7
302.04193	23.3
303.04602	0.7
317.06549	100.0
317.21109	1.1
318.06827	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	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.97586	0.2
53.03923	0.3
55.01894	0.3
55.05483	0.2
58.53790	0.2
65.03932	1.1
67.05517	0.3
68.99787	1.0
69.03410	0.7
69.40299	2.4
79.05490	0.3
81.03412	0.4
81.07051	0.4
84.08128	0.2
92.02627	4.2
93.03412	3.1
98.97604	0.3
107.04942	0.5
109.02883	0.5
111.00797	0.6
116.29241	0.2
116.98608	0.2
121.02879	2.5
122.03680	0.5
123.04436	1.6
124.01604	0.3
124.30015	0.3
126.03123	1.1
133.02873	0.3
137.02339	1.3
137.05983	0.4
139.03902	2.0
143.08537	0.3
145.06499	0.4
147.04433	0.6
150.03082	0.3
151.03909	1.5
152.00926	0.3
153.01830	21.0
155.04834	0.5
161.05975	0.6
163.03923	0.8
165.01793	1.2
165.05466	2.0
166.02621	0.5
170.02104	0.5
172.05434	0.2
173.05966	0.5
177.05493	0.6
179.03461	0.3
183.02946	0.4
183.04454	0.3
183.08235	0.3
187.03842	0.4
190.06250	0.4
191.03511	0.5
200.04610	0.7
201.05421	1.7
203.03352	2.5
204.04103	0.3
205.05060	0.6
217.04958	4.3
218.05673	1.7
219.02869	0.8
228.04152	3.9
229.04935	8.4
230.05356	0.3
231.02818	1.3
232.03729	0.5
233.04456	0.6
244.99297	0.4
245.04448	5.0
246.05232	4.1
247.02473	0.4
256.03732	0.6
257.04446	5.6
258.05121	0.3
260.03159	0.7
261.03897	0.3
261.07562	0.3
271.06088	0.4
273.03934	4.3
274.04694	7.9
274.08981	0.4
284.03177	1.5
285.00797	0.6
285.03934	8.7
286.04398	0.3
288.06296	0.4
289.03415	0.9
301.03516	0.9
302.04202	24.0
303.04578	0.5
317.06546	100.0
318.06897	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51210	0.2
55.01919	0.3
65.03710	0.3
65.04009	0.7
66.01125	0.4
67.05556	0.6
68.99869	1.5
69.03481	0.5
69.76656	1.7
72.08198	0.4
72.53571	0.2
79.05540	0.3
80.61362	0.2
81.03468	0.4
81.07117	0.3
91.05550	0.5
92.02621	3.1
93.03410	2.4
93.07094	0.5
95.05064	0.2
105.07115	0.4
107.05043	0.8
109.02951	0.6
109.06635	0.2
109.10232	0.5
110.03726	0.7
111.00867	0.3
113.28274	0.3
114.33968	0.3
121.02872	2.5
122.03694	0.5
123.04543	1.1
126.03097	1.2
131.04938	0.4
133.02943	0.2
133.10205	0.3
134.05818	0.2
135.04460	0.4
135.08080	0.3
137.02336	3.4
137.03323	0.3
139.00320	0.4
139.03871	1.4
147.04514	0.7
147.08037	0.3
149.02399	0.3
151.03882	1.3
153.01819	17.0
155.04997	0.5
159.04439	0.3
161.06027	0.6
163.03926	1.2
165.01932	1.0
165.05466	1.6
166.02692	0.3
173.06039	0.6
177.05527	0.4
179.03491	0.4
181.05080	0.4
183.02974	0.4
183.04472	0.4
187.03992	0.8
189.05545	0.5
191.03490	0.7
193.01396	0.4
200.04698	1.6
201.05479	1.6
203.03365	1.5
204.04228	0.8
205.04947	0.4
215.03490	0.5
217.04964	3.2
217.06708	0.3
218.05804	0.9
219.02864	1.2
225.05528	0.4
228.04150	5.3
229.04942	8.4
231.02954	1.1
232.03717	0.3
233.04553	0.5
243.02943	0.3
243.06587	0.7
245.04445	4.7
246.05229	2.8
253.05084	0.3
256.03766	1.0
257.04431	4.9
260.03122	0.7
261.03925	0.6
261.07565	0.6
271.06012	0.5
273.03888	4.1
274.04700	8.8
275.05237	0.3
284.03107	0.7
285.03946	6.7
286.04501	0.4
289.03464	2.3
299.05392	0.8
301.03406	8.1
302.04193	38.7
303.04602	1.0
317.03134	4.9
317.06519	100.0
318.03531	0.4
318.06842	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
55.05506	8.5
56.05033	3.5
59.04871	2.7
60.04515	6.1
60.05651	12.0
65.68995	1.9
68.05053	2.1
69.07064	2.3
69.84163	12.2
70.06591	60.1
72.08150	39.3
83.06096	2.3
84.04515	6.2
84.08128	4.9
86.02435	3.5
86.07197	5.4
86.09712	32.1
87.05558	2.4
87.07992	2.5
88.03968	3.2
91.05467	15.0
93.07061	3.1
94.06586	2.7
95.05001	3.0
96.06859	2.5
97.07635	9.9
98.06044	20.8
98.21395	3.7
100.08720	5.0
103.05453	3.1
107.04974	3.7
111.09229	6.8
112.08753	8.8
114.10295	34.5
114.11033	3.1
115.08697	12.8
116.07069	12.3
118.04178	2.9
119.04933	23.1
119.06904	1.8
122.06086	2.4
128.03465	2.3
129.10307	2.4
130.06552	4.9
131.04933	9.4
131.12946	2.4
137.07240	1.9
140.08258	2.0
145.06067	12.3
146.03632	12.6
146.04674	1.9
146.06201	3.3
147.04404	87.8
153.11349	11.1
157.09706	3.0
157.10840	39.5
158.06012	35.5
159.04471	8.9
170.14040	4.4
173.12978	6.7
176.10718	2.3
186.05505	79.4
186.07182	3.9
199.18150	6.6
215.11856	4.7
216.10164	4.0
217.11101	3.5
245.10355	4.3
253.08736	2.1
256.14548	7.8
257.12811	16.9
258.12347	2.1
274.15601	5.5
275.15070	5.8
276.15900	19.6
299.09631	2.3
299.14960	19.9
304.69754	1.8
316.17767	100.0
317.17572	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	316.2845
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01875	0.5
55.05512	5.1
56.05038	4.0
56.05294	0.5
57.03442	0.9
57.07077	1.5
58.02971	0.7
58.06598	0.4
60.04528	100.0
61.04869	0.7
65.03946	0.4
67.05508	9.9
68.05044	0.6
69.03444	0.4
69.07072	6.2
69.65705	1.4
69.66131	1.0
70.06595	0.8
71.04994	0.5
71.08638	1.2
71.83183	0.4
72.04523	1.9
74.06078	2.5
79.05492	3.8
80.05027	0.6
81.03435	0.7
81.07060	9.3
82.06599	1.6
83.04990	1.0
83.08617	3.5
84.08153	0.4
85.10167	0.5
85.68092	0.3
85.77128	0.4
86.06078	0.7
87.04480	1.2
90.05569	1.2
91.05488	3.1
93.07040	4.1
94.06594	0.8
95.04957	2.0
95.08610	8.0
95.09172	0.6
96.08152	0.9
96.09000	0.4
97.06567	0.4
97.10193	1.4
98.06052	0.6
105.07018	2.3
107.08595	2.3
109.06510	0.7
109.10162	5.7
109.10857	0.3
112.07592	0.7
116.07108	0.5
119.08569	2.4
121.10135	2.3
123.08105	0.7
123.11719	1.1
128.19019	0.3
131.08589	0.4
133.10149	1.2
135.11710	1.3
137.05998	0.5
137.09680	1.7
141.98093	0.3
143.08598	0.4
145.10155	0.4
147.08142	0.4
147.11687	0.9
151.07564	1.7
161.09579	0.4
161.13232	0.4
189.12820	0.5
196.20653	0.5
207.13936	0.5
212.23746	0.6
245.22600	0.9
250.25311	1.2
256.26230	0.4
262.25339	1.3
268.26401	0.7
280.26370	11.4
281.26642	0.6
298.27420	11.4
298.30740	0.7
299.27771	0.5
302.04196	0.4
307.50372	0.4
316.28476	25.9
317.06558	0.6
317.21066	1.5
317.28943	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47189	1.6
63.14727	1.6
69.66079	12.4
70.12656	1.6
88.11476	1.5
97.02902	3.6
98.97584	4.5
104.37204	1.5
108.24711	1.5
113.03491	2.7
116.98625	6.6
119.01923	19.8
120.01998	3.4
121.01685	2.4
134.99646	8.5
137.02933	14.0
142.03499	3.4
153.00685	4.1
153.01790	2.3
155.01355	2.5
160.04538	2.0
177.00958	31.2
178.01050	11.9
179.00726	9.3
192.95108	1.9
200.02518	2.2
203.02480	2.1
215.01759	1.8
216.98979	1.8
217.04164	2.4
219.01999	40.6
219.03586	2.0
220.02072	18.4
221.01750	13.0
222.02007	3.6
234.03441	2.9
234.99866	4.6
243.02078	3.7
247.01602	1.7
252.94688	4.2
256.96548	8.9
257.96664	4.5
258.03058	2.1
258.96451	5.2
258.99985	5.0
260.00003	3.1
260.04739	2.1
261.03058	100.0
262.03168	15.4
263.02777	12.9
264.03128	6.2
272.94598	2.5
273.94833	2.0
274.06900	4.7
274.94537	2.7
274.97473	9.6
276.97656	2.6
277.00974	4.7
278.01129	2.3
279.00632	10.9
283.00372	2.9
283.94577	1.9
284.00192	3.1
284.04684	4.5
284.99915	2.7
290.95581	2.6
291.98373	2.1
292.07971	6.6
292.98251	2.4
298.05969	2.2
301.01132	7.5
301.95517	2.1
302.01239	6.2
303.00909	9.9
304.01099	2.4
307.10181	1.8
310.46191	10.7
310.96091	16.9
311.46048	8.5
311.96036	3.1
315.95569	1.6
316.07306	19.5
319.46838	5.3
319.96564	13.8
320.46567	5.6
320.96774	2.1
321.97192	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03951	3.9
55.05503	6.3
67.05500	17.3
69.07068	11.1
69.85695	16.5
69.86104	7.4
77.58990	4.2
79.05504	22.2
81.07067	33.0
85.06551	13.1
89.28732	5.2
91.05479	31.1
93.07050	31.2
93.74754	4.4
95.04943	5.6
95.08591	16.6
103.05415	6.9
105.07034	46.3
107.08591	36.1
109.06556	9.4
109.10156	12.4
110.90860	4.1
111.08100	5.5
115.05447	9.7
117.07019	28.8
119.08597	33.2
121.06516	4.9
121.10136	47.2
123.08005	6.1
123.11708	16.7
128.06201	4.9
129.07014	27.0
130.07822	6.4
131.08580	36.0
133.06471	10.8
133.10110	19.7
135.08035	16.0
135.11748	7.6
137.09660	5.1
141.06996	11.6
142.07750	5.4
143.08542	25.2
144.09375	7.6
145.06525	4.8
145.10153	24.2
147.08084	6.2
147.11700	11.1
149.09627	11.4
153.09079	6.7
154.07716	6.4
155.08568	10.7
157.10136	19.7
159.04442	5.7
159.11690	66.4
161.09633	11.3
163.11186	5.6
165.09068	5.2
167.08551	5.8
169.10085	20.6
171.11688	13.1
173.09647	11.6
173.13287	6.0
175.11197	14.7
181.10181	11.6
181.12175	4.6
182.10907	5.3
183.08148	5.9
183.11722	11.2
185.13272	10.2
187.11201	35.5
195.11700	15.7
197.13396	6.2
199.11156	7.6
199.14879	5.2
209.13141	4.2
210.45384	4.3
211.14859	5.2
223.14714	4.8
227.17967	6.9
237.16359	16.9
241.19452	5.1
251.18045	7.2
255.17503	19.2
269.18991	15.2
279.17398	6.6
287.19995	6.3
297.18512	34.2
315.19513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
51.12987	3.9
53.03952	6.5
55.01863	6.0
55.05500	18.1
57.07089	5.2
67.05491	22.3
68.13177	3.6
69.03428	8.7
69.07071	8.4
70.25478	10.3
70.25871	8.4
71.05015	4.7
79.05499	32.3
81.07055	35.5
83.04968	9.9
83.08585	5.0
85.02920	4.2
85.06528	21.5
89.00594	3.7
91.05469	46.9
92.05831	5.1
93.07043	76.2
94.07371	15.9
95.04970	17.0
95.07713	6.7
95.08606	26.7
97.06532	5.0
97.61062	3.8
103.05498	6.5
105.07027	71.0
107.08589	45.4
109.06512	16.0
109.10159	14.9
111.08054	10.1
115.05463	6.4
117.07027	31.4
118.10220	4.1
119.08564	46.3
121.06483	6.0
121.09315	7.7
121.10137	86.0
122.10482	15.6
123.08106	4.3
123.10828	9.1
123.11715	15.2
127.07512	5.1
128.06213	9.4
129.07027	27.3
131.08572	43.7
133.06461	10.5
133.10091	24.3
135.08081	21.2
135.11685	9.1
137.09590	10.9
141.07034	9.4
142.07762	5.5
143.08533	28.1
144.09312	8.8
145.06497	4.5
145.10120	29.0
147.08047	11.6
147.11682	9.3
149.09631	15.0
151.10257	4.5
153.09045	7.7
154.07758	10.4
155.08536	7.6
156.09308	4.1
157.10124	19.8
159.08008	10.0
159.11687	77.8
161.09636	15.3
163.11151	8.3
165.07079	4.5
165.09114	8.7
166.07759	4.0
167.08617	7.2
169.10130	26.0
171.11711	16.7
173.09642	16.3
173.13232	7.5
175.11159	12.2
181.10139	13.9
181.12207	4.7
183.08061	11.5
183.11674	15.6
185.09634	4.5
185.13202	4.3
187.11191	34.5
189.09056	8.9
191.10635	5.0
195.11710	12.9
197.09508	4.7
197.13263	13.5
199.11121	8.5
209.13341	8.2
211.14766	5.0
213.12762	4.9
215.14233	4.3
217.12312	4.6
221.22542	4.5
223.14908	4.7
227.14331	5.5
227.17871	8.9
237.16400	17.4
251.17848	8.8
255.17390	18.2
269.18973	16.7
283.09537	5.7
287.19980	8.4
292.38977	4.0
297.18558	30.3
315.04968	12.2
315.19580	100.0
315.22928	4.2
316.22687	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	315.1953
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
55.05508	11.2
65.28390	4.2
65.79166	3.5
66.60555	3.4
67.05497	13.2
69.07072	8.3
69.93375	9.5
69.93790	12.7
78.01645	3.8
79.05502	30.0
81.07069	26.6
83.08640	3.8
85.06551	19.2
86.10935	3.8
91.05483	43.6
93.07040	30.9
95.04990	8.8
95.08602	15.5
97.06547	5.8
105.07041	55.7
107.08597	43.5
109.06531	12.0
109.10157	10.2
117.07026	34.5
119.08569	38.3
121.06521	5.7
121.10140	57.6
123.11726	20.4
128.06250	8.8
129.06996	27.4
130.07797	5.6
131.08548	36.4
131.36958	3.9
133.06487	12.3
133.10149	23.0
135.08041	20.1
135.11674	8.9
137.09583	3.9
141.07018	9.0
143.08560	26.1
144.09389	7.7
145.06477	4.4
145.10104	24.1
147.08090	7.6
147.11691	7.8
149.09630	7.7
153.07037	4.9
153.09145	4.1
154.07822	8.7
155.08574	11.1
156.09326	4.2
157.10133	21.5
159.08089	14.0
159.11717	82.2
161.09641	15.2
163.11211	5.1
165.09103	6.6
167.08585	6.1
169.10124	25.9
171.08125	4.3
171.11699	16.0
173.09601	14.7
173.13197	7.2
175.11205	12.1
181.10135	13.6
183.08075	7.2
183.11673	11.0
185.09738	6.6
185.13312	5.8
187.11220	30.9
189.12650	5.0
191.10713	6.4
195.11697	11.1
197.13210	9.8
199.11197	6.7
209.09676	4.0
209.13332	7.3
211.14861	10.0
213.12643	5.5
227.14314	4.6
227.17960	11.6
237.16428	21.7
249.68073	4.4
255.17288	18.9
269.18924	24.7
279.17438	13.0
287.20062	8.5
297.18521	39.9
315.19589	100.0
315.22989	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	315.1952
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
51.26138	2.6
55.05509	5.3
55.07562	3.3
56.96562	72.9
58.01011	2.1
67.05495	8.8
69.07067	6.1
69.85554	6.3
69.85970	12.0
71.04969	2.5
71.08612	3.3
71.38354	3.0
71.95262	9.9
74.97600	5.8
76.75430	2.3
79.05489	11.7
80.17276	2.2
81.07041	13.2
83.04974	3.0
83.08629	3.7
85.06554	3.0
91.05485	22.5
93.07052	27.4
95.04939	6.6
95.08614	13.5
97.06519	3.0
98.21480	5.1
105.07013	23.1
107.08585	31.8
109.06510	9.1
109.10161	11.0
110.97554	5.1
111.08080	3.1
115.97817	3.4
117.06997	18.7
119.08577	30.6
121.10130	34.9
123.01157	2.9
123.08064	4.7
123.11705	7.9
128.06227	10.6
128.98619	17.8
129.07018	9.4
131.08572	17.1
133.06494	4.3
133.10121	31.6
135.08093	13.8
135.11687	14.6
141.02274	4.9
141.06987	4.4
142.07767	4.9
143.08557	34.6
145.06493	4.6
145.10130	27.3
146.99625	50.9
147.00772	3.5
147.07996	4.2
147.11703	6.3
149.09583	6.5
151.07549	3.0
153.07011	3.0
153.09099	9.3
155.03766	3.7
155.08546	12.4
156.09354	3.4
157.10104	21.1
158.10841	2.7
159.08047	3.5
159.11665	19.3
160.64951	2.6
161.01225	9.9
161.09651	11.3
163.07492	3.1
163.11166	7.6
165.00716	13.6
165.06995	3.4
165.09077	4.0
167.08536	7.6
169.10097	16.0
170.10709	3.4
171.11673	19.3
173.09590	3.6
173.13251	11.5
175.11131	3.7
177.09151	3.9
179.02283	6.2
180.09416	3.4
181.10123	17.7
181.12262	3.8
182.10893	4.0
183.11726	16.7
185.09698	3.4
185.13278	9.5
187.11186	10.1
187.14822	4.0
189.04384	4.6
194.10861	5.3
195.11684	24.9
196.12379	3.4
197.13239	18.6
199.11247	7.7
199.14775	4.1
201.12775	6.5
203.10757	4.5
207.11661	5.3
209.13214	15.9
211.14801	11.6
213.12759	6.4
213.16298	6.4
217.12355	4.4
223.14873	6.1
227.10806	2.7
227.14256	4.7
227.17915	14.5
231.13849	3.7
237.16396	33.4
241.11365	2.4
241.19307	3.5
251.18024	8.3
255.13815	6.7
255.17558	15.6
259.12466	3.6
263.25067	3.0
269.15891	3.9
269.18939	24.1
271.16705	3.7
279.17368	5.7
287.19965	23.0
297.18460	92.0
300.06274	4.9
315.04950	5.8
315.08508	3.9
315.16229	45.8
315.19562	89.5
315.22681	4.1
315.34467	5.6
316.20001	4.0
316.32053	3.1
331.15878	4.5
333.17346	100.0
334.17712	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	315.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31010	7.1
55.01866	34.1
55.05514	71.9
57.03437	36.7
59.02119	7.4
59.05007	12.1
60.05641	13.3
61.02929	14.9
67.05518	16.3
67.25407	7.8
69.03432	44.8
69.07070	32.6
70.06596	60.8
71.01340	11.7
71.04987	58.9
71.57356	13.3
72.08147	39.3
73.02905	26.3
79.05498	39.1
81.03424	22.8
81.07062	39.3
84.04533	14.6
84.08151	24.1
85.02898	68.3
86.09723	23.0
91.05469	59.6
93.07033	76.1
93.37711	7.3
95.04976	22.6
95.08622	24.6
97.02898	21.8
97.07663	20.2
98.06059	28.9
103.03966	15.7
105.07022	83.2
107.04941	22.7
107.08583	72.6
107.76750	8.3
109.06516	51.3
109.10162	29.4
111.04456	12.2
111.08083	10.8
114.10290	24.2
115.03919	20.9
115.08770	11.3
117.07043	21.9
119.04982	19.9
119.07321	16.8
119.08573	71.5
121.02841	7.5
121.06512	15.3
121.10161	22.6
123.08063	38.7
129.06987	9.3
131.08601	23.9
131.12933	21.5
133.02838	18.6
133.04979	26.5
133.06487	18.5
133.10138	19.6
135.08080	15.7
135.11699	31.4
137.02339	13.9
137.06039	24.9
137.09636	17.1
143.08527	20.6
145.02873	27.6
145.06470	13.8
145.10149	30.4
147.04442	18.9
147.08086	36.9
147.11649	15.4
149.09653	10.5
151.11191	8.6
153.12794	17.7
157.10905	14.8
159.08073	18.3
159.11711	13.2
163.03847	12.6
163.11230	28.7
165.01868	14.0
165.05434	12.3
165.12769	97.3
169.06470	7.8
173.09656	21.6
173.13196	8.7
174.08963	9.7
175.03900	16.8
175.07494	12.5
177.05452	28.9
177.12790	22.1
183.15115	9.3
187.11203	12.3
189.12746	7.5
194.07375	10.5
201.12752	14.0
209.62648	18.0
210.03030	11.3
219.13829	13.9
231.13991	9.1
237.09055	9.0
239.14922	15.3
243.13860	10.9
261.14859	18.6
265.08633	14.9
285.65079	13.3
305.16080	10.1
307.17596	19.5
315.05008	100.0
315.08417	10.8
315.12585	12.1
315.17648	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1942
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
52.58655	3.3
55.05517	8.3
59.04991	4.6
67.05502	11.3
69.07064	7.2
69.95346	20.1
69.95687	3.6
71.08602	3.7
79.05492	16.1
81.07041	15.7
83.08614	3.6
83.30504	3.1
85.06538	6.0
91.05476	25.3
93.07026	20.3
95.04952	4.6
95.08608	13.6
98.21434	5.6
101.17396	3.1
104.98182	3.6
105.07025	36.6
107.08588	32.4
109.06541	10.6
109.10164	8.5
117.07024	28.3
119.08554	31.5
121.10152	32.1
123.11671	4.0
128.06180	9.3
129.07007	20.5
130.07841	3.6
131.08582	31.1
133.06535	5.6
133.10110	24.8
135.08018	17.1
135.11737	6.7
143.08559	29.8
145.10107	28.6
147.08061	11.6
147.11696	7.7
149.09608	12.2
153.06944	3.4
154.07869	6.6
155.08583	13.4
156.09331	3.4
157.10124	17.1
159.08157	3.4
159.11699	36.7
161.09602	6.6
163.11247	4.0
167.08565	5.8
169.10110	19.8
171.11691	14.6
173.09619	25.2
173.13255	7.9
175.11212	6.5
180.09337	4.4
181.10133	16.3
181.12215	4.5
183.08037	8.8
183.11693	10.4
185.09651	5.7
185.13271	11.1
187.11188	22.9
187.14699	5.2
195.11742	20.0
197.13306	7.5
197.72925	3.6
199.11253	12.2
199.14799	4.3
201.12764	5.4
209.13367	10.8
211.14795	9.4
213.12790	8.0
213.16397	7.0
223.14790	4.9
226.16290	3.5
227.17943	10.0
235.14783	5.0
237.16318	21.5
241.19458	4.6
251.18031	8.2
255.17493	17.0
269.18988	28.2
279.17447	10.8
287.20105	10.0
288.95660	3.8
293.04483	3.9
297.18481	63.8
315.19388	100.0
315.34402	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	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38410	8.0
52.65369	7.4
55.01857	27.6
55.05501	58.9
56.05032	8.1
57.03439	38.9
58.06604	38.9
60.05630	22.7
61.02924	15.2
65.03928	13.6
67.05495	28.6
69.03423	48.9
69.07059	31.9
69.29096	87.5
70.06580	54.6
71.01334	7.8
71.04990	89.6
72.08147	87.5
73.02907	22.2
73.06474	8.8
79.05474	23.9
81.03412	21.5
81.07040	62.8
83.04969	23.4
83.08649	8.0
84.04513	17.5
84.08138	30.6
85.02902	87.3
85.74391	7.6
86.07185	15.5
86.09714	43.3
87.07962	13.0
91.05473	84.6
93.07043	66.4
95.04964	27.2
95.08596	30.0
97.02892	27.7
97.06480	10.0
98.06047	33.2
99.04508	8.4
103.03930	21.4
105.07030	79.4
107.04942	28.5
107.08583	79.0
109.02833	13.0
109.06513	44.3
109.10162	23.2
110.07143	8.1
111.04414	13.1
111.08025	11.3
114.10300	33.1
115.03938	23.9
115.08723	15.1
117.07018	17.3
119.04936	24.4
119.07281	12.5
119.08589	100.0
121.06499	29.6
121.10145	23.4
123.04425	9.4
123.08065	52.6
123.11709	9.3
127.03918	14.5
128.06195	10.5
129.06960	14.7
129.10231	12.1
130.06500	9.9
130.07835	9.2
131.08563	59.4
131.12857	8.9
133.02835	13.0
133.04953	23.7
133.06459	14.5
133.10110	19.2
135.08031	22.5
135.11676	21.9
137.02339	28.6
137.05992	13.9
137.09619	30.4
143.08542	34.9
145.02859	16.4
145.06332	11.0
145.10138	48.6
146.03604	18.3
147.04417	75.8
147.08051	80.2
147.11658	18.5
149.09572	20.0
151.11177	15.7
153.11356	10.7
153.12747	29.1
155.08525	18.5
157.07581	10.4
157.10878	29.9
158.06075	17.8
159.08046	28.0
159.11684	21.1
161.09645	17.0
163.03952	16.2
163.11208	32.0
165.01846	12.2
165.09131	11.8
165.12735	61.5
167.01552	11.8
171.08072	14.2
171.11745	13.7
173.09569	37.1
173.13237	21.5
175.07581	17.1
177.05432	21.9
177.12766	30.1
183.08054	17.9
183.11694	11.2
186.05437	42.4
189.12691	19.9
191.10657	12.6
193.06570	8.2
195.08017	8.5
196.45724	7.7
207.13829	8.4
219.13925	11.1
220.16953	7.3
225.09004	8.5
227.18291	12.4
228.19548	19.6
231.13751	12.2
239.14943	10.4
255.10182	16.3
261.14911	23.0
265.08493	9.9
283.09671	14.4
297.03632	9.4
297.17020	10.6
307.17578	12.4
315.04895	67.4
315.07980	9.9
315.12241	17.7
315.17419	46.0
315.28369	14.6
315.67477	10.5
316.17712	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	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.01872	22.6
55.05305	3.4
55.05511	39.9
55.36563	3.5
57.03423	15.4
59.04994	4.9
61.02635	3.4
61.02913	16.2
67.05497	11.4
68.05038	6.3
69.03432	31.2
69.07059	15.4
70.06593	9.4
70.91453	7.9
70.91765	4.1
71.01334	8.5
71.04995	46.5
72.08143	19.1
73.02920	21.6
79.05472	30.1
81.03413	16.1
81.07051	29.9
83.04970	7.6
83.06109	8.2
83.08632	6.5
84.04498	12.3
84.08131	13.9
85.02905	56.6
86.09702	12.3
87.04431	3.5
91.03928	4.7
91.05479	41.9
91.71338	3.9
93.07037	41.8
93.18073	3.5
95.04993	19.0
95.08608	18.1
97.02876	13.1
98.06035	5.8
103.03913	7.7
103.05446	5.7
105.06392	5.6
105.07032	47.9
107.04948	9.4
107.08598	45.6
109.02849	9.0
109.06514	30.1
109.10159	10.6
110.07183	6.1
111.04430	4.4
114.10263	3.7
114.48291	4.1
115.03929	14.9
116.07059	4.1
117.07019	11.8
119.04942	4.5
119.07292	4.8
119.08593	47.6
119.80930	3.6
121.06469	10.2
121.10136	15.3
123.04418	6.0
123.08046	25.3
123.11697	4.0
125.09573	4.8
127.03905	6.4
128.06117	4.9
129.05478	7.7
129.06984	12.6
129.10233	6.3
131.08569	23.1
133.04964	13.2
133.06447	9.6
133.10094	7.5
135.04393	6.5
135.08069	8.9
135.11667	12.8
137.02354	16.3
137.03343	4.5
137.05943	8.1
137.09621	10.8
139.11143	4.5
141.01775	6.9
143.08553	12.3
145.06383	4.5
145.10103	20.9
147.04405	7.5
147.08028	25.3
147.11684	10.9
149.09622	8.0
151.07538	5.8
151.11142	6.8
153.05432	4.3
153.12717	9.6
157.06456	5.1
159.08096	7.1
159.11618	7.9
161.09595	4.2
161.13170	4.5
163.03964	7.7
163.11121	18.5
165.01804	8.6
165.06987	8.3
165.12735	62.0
171.11670	5.3
173.09616	20.9
173.13254	5.0
175.07576	8.1
177.12816	18.0
181.06438	5.9
183.02780	7.7
183.11618	3.8
184.07362	4.0
189.12709	5.5
195.02847	6.5
195.07993	4.6
195.13789	5.0
205.79335	3.7
214.55113	3.8
217.05008	4.6
219.13850	11.5
222.06705	6.3
231.13817	4.8
237.09137	5.5
243.13638	5.4
243.36365	4.0
260.23779	4.2
261.14752	9.7
265.08627	8.7
275.98257	3.9
279.15784	8.0
285.11124	4.9
297.11349	6.7
315.04990	100.0
315.08649	7.3
315.17960	13.3
315.27872	4.7
316.05301	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	315.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01865	5.5
55.05500	4.2
56.05030	5.9
56.20890	1.0
57.07099	1.1
58.02993	1.0
58.06598	2.5
59.53740	1.1
60.04526	6.9
60.05613	1.1
65.03949	1.2
67.05503	3.3
68.05034	2.6
68.99765	1.9
69.07069	1.4
70.02948	2.8
70.06583	8.5
71.04961	1.1
72.04543	1.9
72.08150	20.2
73.08463	1.7
79.05487	7.1
81.03425	1.6
81.07049	5.3
82.02956	1.4
83.04968	1.5
83.06103	2.8
84.04501	23.4
84.08137	8.2
85.02901	1.3
86.02425	21.0
86.09712	7.0
87.05584	9.7
88.03982	18.2
91.05478	10.1
93.07039	20.5
94.06566	3.3
95.04968	2.8
95.08607	7.5
98.06049	6.3
99.05563	9.3
100.03983	16.3
100.07619	9.1
101.07146	12.0
102.05555	2.8
102.09185	4.9
105.07025	5.5
107.04941	3.2
107.08578	3.2
108.04425	1.3
109.06525	3.6
109.10125	1.7
110.07159	1.7
111.04458	1.5
111.08110	2.4
112.11223	1.8
114.71264	1.1
115.08665	2.6
116.07076	2.8
117.06593	9.0
119.04938	2.0
119.08576	6.8
120.08074	1.1
121.02899	1.3
121.10155	4.0
122.06022	1.2
123.04401	1.5
123.08070	5.2
124.07590	1.8
125.09660	1.0
127.05027	3.0
128.03436	18.0
129.10242	1.7
130.04950	1.2
130.06598	1.4
131.04921	1.7
133.02827	3.2
133.06271	3.9
134.06009	1.3
135.08055	12.3
137.02361	2.8
137.05981	5.5
137.09604	2.3
140.07060	2.8
145.06076	100.0
146.09639	2.4
147.04408	3.5
147.08069	4.2
148.07538	1.3
148.11217	2.0
148.56548	1.0
149.02353	1.2
151.03932	1.4
151.07536	12.4
153.05469	2.4
154.08621	1.6
161.06009	1.8
163.03912	2.4
165.05476	2.2
165.06920	1.6
169.08612	16.4
172.13322	14.8
174.09227	1.6
177.05486	2.9
183.02946	1.8
183.11607	1.2
192.10159	8.5
195.08049	1.9
205.06519	1.7
210.11263	7.6
220.09648	1.7
223.07629	2.0
226.18039	2.9
227.18329	3.8
231.53839	1.2
234.11301	1.2
238.10724	7.0
244.20958	1.2
251.14076	1.2
252.12350	1.6
256.11792	3.8
269.14966	3.9
283.09753	3.0
297.14462	2.7
297.25235	2.0
298.25650	3.4
314.27972	1.4
315.04935	7.9
315.15506	61.1
315.25946	1.8
315.28287	7.5
327.26764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	Gnaphaliin
Peak:m/z	Relative Intensity
55.01870	1.5
55.05526	0.3
57.41817	0.2
58.14696	0.2
65.41776	0.3
67.05502	0.7
68.05061	0.3
68.99777	1.2
69.03436	0.3
69.07043	0.7
69.86633	1.7
71.05000	0.3
72.08163	0.5
79.05473	0.4
81.03408	0.6
81.07056	0.8
83.04936	0.3
84.08118	0.3
91.05476	1.0
92.69112	0.2
93.07022	0.5
95.04939	0.4
95.08604	0.6
97.02856	0.5
103.05528	0.3
105.06986	0.4
107.08594	0.8
108.02081	1.3
109.02859	0.8
110.03653	0.8
111.00812	0.6
119.08592	0.7
121.02857	1.0
121.10129	0.7
123.04416	0.9
131.04922	0.5
133.10110	0.6
134.03622	0.8
135.04428	1.2
136.01617	0.4
136.05200	5.7
137.02345	2.9
140.07071	0.8
143.69034	0.3
145.10109	0.4
146.03627	0.3
146.06033	0.3
147.04413	2.5
147.07872	0.3
148.07526	1.3
151.00282	1.1
152.06227	0.9
153.01863	0.8
153.07060	0.3
161.02365	1.2
161.05936	0.5
162.03156	0.5
162.05449	0.3
163.03914	1.2
165.01836	1.7
165.06865	0.3
168.06654	0.5
169.06433	0.3
174.05490	0.5
175.03902	2.8
177.01921	0.3
179.07013	0.3
180.05746	0.3
181.06471	0.6
185.05954	0.4
191.03308	0.3
197.06013	1.0
198.09123	0.6
199.08768	1.9
201.05478	0.7
203.01472	0.4
203.03394	7.8
205.06445	0.3
208.05261	1.9
209.05898	0.4
211.04068	0.4
212.09482	0.5
213.05499	0.7
213.10179	0.6
214.10873	0.3
215.11905	0.5
221.40193	0.3
221.92819	0.3
223.07521	0.5
225.05399	0.7
225.10188	1.2
226.06252	1.1
226.08441	0.5
227.08105	0.9
227.11806	0.7
229.04926	3.0
236.04686	0.6
241.04939	0.7
241.08652	0.3
241.22517	0.3
242.05792	1.6
243.06526	0.4
243.11317	0.6
251.06987	0.3
252.10229	0.4
253.04985	1.0
254.05719	3.2
255.06557	1.2
255.11337	5.5
257.04410	2.4
259.05945	0.5
269.04440	0.8
269.08066	0.8
269.12857	1.5
270.05246	1.0
271.06012	30.7
272.06601	0.8
282.05237	0.4
283.06015	3.8
283.09589	1.5
284.06668	0.5
285.03934	5.5
286.04703	9.5
287.05490	1.8
297.03912	2.3
297.12311	1.3
299.05499	33.0
300.06277	24.9
300.09778	0.6
301.06738	0.6
315.04999	13.6
315.08630	100.0
315.13245	18.6
316.05716	0.4
316.09039	1.5
318.55692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03943	0.7
55.01858	0.6
55.05502	1.4
56.96574	0.5
57.03433	0.5
61.86961	0.4
67.05499	1.8
68.99778	2.0
69.03427	0.6
69.07043	1.4
71.57877	0.6
72.08129	1.3
79.05488	2.4
81.03399	1.3
81.07056	3.6
83.04987	0.6
83.74947	0.4
84.04465	0.5
84.08091	0.6
85.02888	0.7
85.06537	0.7
91.05481	3.0
93.07034	3.9
94.07357	0.6
95.04957	1.4
95.08593	1.9
97.02897	0.7
97.06538	0.7
98.06028	0.7
103.05461	0.6
105.07028	3.6
107.04961	0.9
107.08606	3.1
109.02861	2.8
109.10141	0.8
111.00797	1.3
111.08079	0.6
115.05429	0.9
116.98591	0.5
117.07023	1.7
119.04934	0.8
119.08539	2.4
121.10123	3.3
122.10471	1.1
123.04433	0.5
123.11686	1.4
128.06190	0.7
129.06992	1.3
131.04938	1.5
131.08580	1.3
133.06477	0.8
133.10098	2.1
135.04382	0.6
135.08098	0.6
135.11635	0.9
137.02336	1.7
137.05925	1.1
143.08600	1.0
145.02847	0.6
145.06464	1.5
145.10136	1.5
146.03566	0.5
147.04388	3.9
149.02390	0.7
149.09576	0.6
151.03853	1.0
151.07497	0.8
151.11165	0.6
153.01842	0.8
155.04877	0.7
155.08592	0.6
157.10098	0.7
159.04459	0.9
159.11665	1.4
161.06010	2.3
161.09677	0.5
162.05487	2.5
162.59975	0.5
163.03914	1.3
163.11194	1.2
165.07005	1.4
167.08585	0.8
169.73495	0.5
171.11691	0.7
173.06012	1.6
173.09647	0.7
175.03876	5.8
177.05522	0.8
177.07051	0.6
181.06563	0.7
181.10097	0.6
183.11757	1.0
185.05997	0.7
190.15556	0.6
191.03416	0.8
191.07013	0.7
194.07277	0.7
195.08070	1.7
195.11731	0.6
197.06026	1.1
201.05467	9.2
203.03389	12.9
208.05119	0.6
209.13208	0.5
211.07491	0.9
212.04668	0.5
213.05603	0.6
213.08969	0.6
223.07503	1.7
227.06915	0.5
229.04939	15.4
229.08473	0.7
229.12148	0.5
237.09175	0.8
239.07254	0.5
239.17717	0.5
240.07903	1.7
241.05051	0.9
243.06429	0.5
251.07025	0.7
251.17952	0.4
255.10484	1.6
255.13708	0.6
257.04434	26.9
259.06006	0.7
265.08560	0.7
267.17392	0.9
269.04688	0.8
269.07870	0.7
271.06116	2.3
272.06824	1.1
283.06363	1.0
283.09659	5.8
284.03140	1.1
285.03918	56.4
286.04379	1.4
287.19800	0.6
297.03885	0.6
297.12204	0.6
297.18710	1.0
299.05447	9.0
299.08585	0.8
300.06265	64.2
301.06689	1.1
315.04950	23.5
315.08615	100.0
315.19382	6.5
316.05460	1.1
316.08929	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
60.12677	0.3
70.53301	1.4
73.25623	0.4
80.37445	0.3
93.07045	0.4
95.01321	1.0
108.05769	1.3
121.02850	4.0
133.31192	0.4
135.04396	1.9
137.02335	0.5
145.06555	0.4
153.01826	0.4
173.05992	0.8
183.04398	0.6
192.41441	0.4
198.06731	0.4
201.05540	1.1
211.03888	0.5
213.05492	1.2
227.07039	0.4
229.02859	0.3
229.04944	9.4
237.16283	0.3
243.06561	1.1
256.03677	0.4
257.04434	16.4
258.04828	0.4
269.04449	0.9
271.06049	5.5
272.06787	6.0
284.03168	1.4
285.03940	12.4
293.42557	0.4
299.05490	25.6
300.06271	83.0
301.06577	1.4
315.08606	100.0
316.09042	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
65.78587	0.2
68.99818	0.4
69.47501	2.3
91.05484	0.4
101.84834	0.2
109.02879	0.3
109.10162	0.3
109.33436	0.2
116.89844	0.3
121.02901	0.5
124.01640	0.3
133.02881	0.4
146.03592	0.2
147.04440	0.4
148.05232	1.2
149.05991	0.3
153.01840	1.0
167.03403	0.6
170.02025	0.4
175.03938	0.5
203.03400	0.9
213.05496	0.4
229.04964	14.7
230.05252	0.4
243.06496	0.3
257.04456	13.9
269.04507	0.5
271.05994	1.0
272.06787	23.1
273.07156	0.5
283.06012	0.8
283.09485	0.4
284.03305	0.5
285.04037	1.3
299.05505	4.9
300.06271	64.4
301.06628	1.3
315.08600	100.0
316.08981	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0497
Annotation	Endocrocin
Peak:m/z	Relative Intensity
55.01826	0.9
55.05450	0.8
55.35315	0.4
62.06046	0.6
65.03889	0.5
67.01796	1.1
67.05444	0.9
68.99722	3.4
69.03374	0.8
69.03712	0.5
69.07018	0.6
70.89053	0.5
70.89391	1.2
71.04919	0.5
72.08092	0.6
73.51198	0.4
73.77026	0.4
79.05447	1.0
81.03358	0.6
81.06985	1.1
85.02837	0.4
91.05421	1.1
91.69731	0.4
93.06982	1.1
95.04941	0.9
95.08547	0.7
96.05480	0.4
97.02854	1.0
105.03302	1.8
105.06954	1.3
106.48193	0.4
107.04987	3.2
107.08536	0.6
109.02843	1.0
111.00748	0.5
115.05407	1.0
117.03265	0.5
117.06978	0.8
119.04862	0.6
119.08556	0.7
121.02766	1.9
121.06466	0.6
121.10088	0.5
123.04374	0.8
129.06953	0.9
131.04861	1.0
131.08502	0.8
133.02818	1.0
133.10046	0.6
135.04416	3.2
137.02278	1.2
137.05936	0.5
139.05383	0.7
141.06981	0.8
145.02832	4.3
145.06409	0.7
145.10120	0.6
147.04369	2.4
149.02274	0.9
149.05908	0.7
151.03793	0.5
153.01819	42.0
154.02104	0.9
157.06496	3.4
161.02295	1.1
161.05942	1.0
163.03905	5.2
165.01804	1.1
165.06918	0.6
167.08472	0.4
171.02931	0.9
171.04358	2.1
173.06003	0.6
175.03894	2.2
185.05875	1.4
187.03833	0.7
189.01781	1.6
191.03329	1.4
193.04927	0.6
195.04268	0.6
195.07994	0.9
197.05933	1.8
199.03880	4.2
203.03444	2.0
207.02887	3.5
213.05452	10.6
217.04921	0.5
223.03897	2.2
223.07492	0.6
225.05394	0.6
227.03346	1.1
229.05040	0.6
241.04968	5.6
251.03352	1.0
255.02702	0.7
255.10341	0.8
259.05972	0.6
268.03677	2.4
269.04440	36.5
270.04776	0.9
282.05035	0.5
283.09692	2.5
285.10767	0.5
287.05438	3.0
297.03922	100.0
298.04324	2.7
300.06351	0.9
315.04971	46.6
315.08249	2.0
315.12671	2.9
315.19565	1.0
316.05383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0498
Annotation	5-hydroxybowdichione
Peak:m/z	Relative Intensity
55.01854	0.4
61.58089	0.2
65.03911	0.2
66.09028	0.2
67.01862	0.3
68.00329	0.2
68.99787	8.3
69.07033	0.2
70.84138	0.4
79.05473	0.2
81.03410	0.4
81.07034	0.2
91.05466	1.0
91.60717	0.2
95.04950	0.2
101.59206	0.2
103.05463	0.3
105.03388	0.3
107.04935	0.3
109.02842	0.4
111.00798	5.7
115.05452	0.4
117.07008	0.3
119.04930	1.3
121.02836	0.2
123.04422	0.2
127.03867	0.3
129.03375	0.4
129.06970	0.3
131.04921	1.2
131.08537	0.2
133.02853	0.7
135.04480	0.2
135.11690	0.2
139.05421	0.3
141.07037	0.2
143.04855	0.3
145.06433	0.5
147.04398	18.9
148.04655	0.4
149.02335	0.5
149.05984	1.0
153.01830	2.3
155.04932	0.7
157.02858	1.1
157.06516	0.5
159.04378	1.6
161.02333	0.9
161.06004	0.6
162.03082	0.7
163.07506	0.3
167.04883	0.5
171.04402	0.5
173.05943	0.6
175.03897	24.9
176.04259	0.4
177.05463	1.9
183.04396	0.3
185.05957	1.6
189.05457	1.7
195.04442	0.6
197.05910	0.2
199.03935	0.5
201.05486	0.6
203.03378	67.9
204.03758	1.3
213.05457	2.6
214.06108	0.3
217.04991	1.1
223.03896	0.4
227.03262	0.3
231.02928	0.5
231.06563	1.3
231.08585	0.2
241.04913	2.2
245.04404	1.2
255.10135	0.2
256.07690	0.3
259.05975	3.6
260.06805	0.2
269.04453	1.5
273.04092	0.3
283.09497	0.3
285.03702	0.3
287.05508	3.1
300.06186	0.3
315.04956	100.0
316.05301	3.0
330.79260	0.2
335.71030	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	314.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
55.05511	2.3
56.05043	1.9
57.03437	0.8
58.06596	3.5
60.04536	1.0
60.05634	0.9
63.54942	0.7
67.05508	7.6
67.59787	0.7
68.05048	0.9
69.07065	2.3
70.06594	12.3
71.04998	1.8
71.17641	1.8
72.08157	100.0
72.18416	0.8
76.07635	1.9
79.05485	3.9
81.07057	8.1
83.08595	1.0
84.04503	9.7
84.08144	6.5
85.06560	1.1
86.02432	3.2
86.09702	4.1
87.05588	1.8
88.03999	4.2
88.38200	0.7
91.05472	4.9
93.07056	6.4
94.06584	1.2
95.08607	2.0
96.08115	1.0
98.06058	13.4
99.05602	2.4
99.06867	1.1
100.03983	1.8
100.07600	1.0
101.07141	2.4
102.05582	0.9
105.07050	4.2
107.04974	1.1
107.08596	5.2
109.06522	1.2
109.10165	6.5
110.06069	2.0
110.07155	1.8
110.09723	0.8
112.07620	3.4
112.11256	3.8
114.09199	1.0
114.10247	0.9
117.06621	1.6
119.08572	0.9
120.08099	1.7
121.10138	1.7
123.04415	0.8
123.08093	1.6
123.11728	1.4
124.07596	3.7
125.09615	1.5
128.03452	2.9
129.10272	1.7
130.05029	1.5
131.08495	0.8
133.10132	6.5
135.08046	2.5
136.06232	1.0
136.07578	1.5
137.05957	1.4
138.09178	1.4
145.02924	0.9
145.06090	16.9
147.04401	2.2
147.08035	1.3
149.09654	1.3
151.07556	2.0
151.11212	2.6
152.10675	1.0
161.06058	1.1
169.08638	2.2
173.12790	0.7
180.13873	6.1
192.10199	2.3
198.14885	4.2
201.53517	0.7
205.06619	0.8
208.16980	24.6
209.02710	1.1
210.11169	1.2
225.19595	3.6
226.18025	81.3
238.10739	1.3
243.20702	11.6
252.12158	0.8
256.11508	0.8
279.24271	1.7
297.25381	38.9
314.28006	52.9
315.04688	1.4
315.12112	1.2
315.15472	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	314.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01500	0.8
53.03930	1.0
55.01857	3.4
55.05510	4.5
56.05021	2.2
56.96558	1.1
57.03433	0.9
58.06598	6.0
60.04516	3.1
60.05572	0.7
64.53608	0.7
67.05504	9.7
68.05013	3.0
69.03419	1.2
69.07055	3.3
69.26604	6.8
69.27010	1.8
70.02955	0.9
70.06593	9.5
71.04988	1.8
72.08153	100.0
73.08489	1.1
74.06081	0.8
79.05474	2.5
81.03387	1.3
81.07047	10.9
82.06562	1.0
83.04975	1.7
83.06059	0.8
84.04509	11.6
84.08141	12.1
86.02444	5.2
86.06054	2.6
86.09702	8.6
87.05579	2.7
88.03985	6.5
91.05476	5.9
93.07043	10.3
94.06588	1.2
95.04956	2.0
95.08592	4.0
96.08128	1.8
97.02921	1.4
97.06517	1.8
98.06060	9.3
98.09664	1.0
99.05567	2.5
99.06837	1.2
100.03948	2.3
100.07600	1.9
101.07121	2.3
102.05548	1.3
105.07018	4.6
107.04953	2.0
107.08586	4.4
109.06515	1.9
109.10136	6.8
110.06013	2.1
110.07170	2.4
110.09665	0.9
111.04421	1.0
111.08073	1.2
112.07589	2.4
112.08705	1.0
112.11252	8.4
113.07168	0.9
114.05524	1.4
114.10267	1.1
115.08685	1.1
117.06552	1.7
119.04953	1.1
119.08569	4.4
120.08088	1.5
121.10127	2.6
123.04434	1.4
123.08080	2.6
123.11736	1.9
124.07572	4.8
125.09621	2.5
128.03455	4.1
129.10213	1.3
129.13864	1.7
131.04903	1.4
132.06537	2.6
133.02837	0.8
133.10107	5.2
134.06012	1.4
135.08069	2.2
136.06172	3.7
137.02303	1.9
137.05945	2.5
137.09515	0.9
138.09132	2.6
145.02869	1.1
145.06087	27.2
146.09639	0.9
147.04417	1.9
147.08032	1.4
149.00592	1.3
150.09125	0.9
151.07520	4.0
151.11179	2.8
163.03857	1.0
169.08591	4.1
171.74054	0.9
172.13327	2.7
177.05460	1.7
180.13820	7.3
192.10193	2.5
195.08041	1.2
198.14819	2.3
208.16959	35.2
209.02722	2.0
210.11215	1.5
222.18520	2.4
225.19624	4.0
226.18015	59.4
238.10706	3.4
240.19563	1.8
243.20689	11.4
279.24161	1.6
283.09763	3.0
296.26724	2.0
297.25357	34.7
298.25858	1.3
304.63977	0.9
314.10019	1.2
314.17349	1.5
314.28003	61.1
315.04971	4.5
315.11450	1.1
315.15475	17.8
315.28397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05265	1.1
55.05503	9.7
57.03157	0.9
57.03437	27.1
57.07073	76.9
59.04961	0.9
59.64567	0.8
62.96939	0.8
67.05497	16.9
69.07066	15.0
71.08630	54.8
79.05502	1.2
81.07050	18.2
83.04993	1.3
83.08613	14.4
85.10177	25.4
86.70833	0.9
88.46013	0.8
89.06031	4.7
93.07006	2.7
95.08604	28.4
95.84945	0.9
97.10170	7.6
99.11735	2.1
103.07570	2.9
107.08615	1.5
108.71105	0.8
109.10155	11.2
111.11713	2.5
113.13322	1.6
121.10119	2.6
123.11693	5.8
123.15182	1.0
137.13234	2.4
151.14819	1.4
162.71320	0.9
165.16420	1.5
179.46835	0.9
230.61414	0.9
239.23668	5.6
257.24753	8.5
275.25891	1.0
304.22281	0.9
313.27356	100.0
314.27872	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31861	0.9
52.70899	0.9
54.40915	0.8
55.05513	11.0
57.03440	23.7
57.07077	75.4
58.41579	0.9
59.16976	0.9
61.73554	0.9
62.20727	1.0
67.05508	13.1
69.07068	17.2
69.67629	4.0
69.68059	3.0
71.04985	1.1
71.08631	45.6
71.44218	0.9
79.05480	2.7
81.07058	22.0
83.04989	1.4
83.08619	16.8
85.06561	1.0
85.10184	28.6
89.06030	3.9
91.05466	2.0
93.07047	5.9
95.08604	24.4
97.06548	1.0
97.10169	8.8
98.20805	1.0
99.11750	1.6
103.07600	1.7
109.10158	11.8
111.11716	1.5
112.07380	0.9
113.13288	1.1
117.09129	1.0
121.10157	4.6
123.11682	5.7
125.13284	1.0
137.13275	3.4
146.71326	1.0
221.22697	1.4
239.23701	3.8
257.24680	7.8
298.80362	1.0
302.14069	1.1
313.27362	100.0
314.27658	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	314.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05502	0.9
56.05041	0.5
56.96563	3.9
57.03436	1.1
57.07084	0.4
57.13288	0.3
57.24397	0.3
61.01142	1.5
61.02929	0.7
63.92978	0.3
64.09970	0.3
64.97025	0.3
67.05505	0.6
68.05023	0.8
68.90579	0.3
69.03433	3.9
70.06590	4.3
71.04990	0.5
71.57376	0.5
71.96744	0.4
72.08147	3.0
73.02907	1.1
79.05489	0.5
81.03414	0.7
81.07046	1.3
82.80486	0.3
83.04984	0.4
83.06146	0.5
84.04494	1.5
84.08152	2.1
84.96011	0.4
85.02909	2.4
86.09696	1.1
86.99066	0.3
87.05597	0.5
91.05481	0.6
93.07038	1.1
94.17105	0.4
95.05058	0.4
95.06094	6.3
97.02888	51.7
98.03162	0.4
98.06094	0.4
98.09668	0.7
98.97588	1.6
100.07607	1.2
102.05492	0.5
105.89664	0.3
108.08131	0.5
109.02863	0.4
110.06065	0.4
110.07165	1.2
111.04387	0.4
116.07118	0.7
116.98631	1.6
117.01867	0.6
117.63564	0.4
119.01765	0.4
119.03519	1.1
119.08591	0.4
120.08065	0.4
122.06018	0.5
122.09695	0.6
124.07547	0.6
127.03871	0.5
128.98627	0.4
129.05515	0.4
131.01974	0.4
134.06033	0.7
134.99644	0.8
135.00635	0.4
135.05386	0.8
136.06181	100.0
137.04578	1.1
138.05502	0.4
142.12227	0.4
143.01578	2.3
146.02261	0.3
146.99672	1.1
148.06126	0.5
149.06898	0.5
150.07643	0.4
151.12277	0.5
152.05913	0.5
152.07056	2.6
152.10620	0.3
155.04602	0.4
161.02690	1.3
162.07727	0.9
164.05679	6.9
165.00687	0.6
166.08670	0.5
171.14899	0.4
177.00726	0.7
178.07211	3.0
179.03708	1.7
180.80013	0.4
189.00642	0.4
190.98680	0.4
193.13391	0.6
201.00690	0.4
205.00252	0.5
205.05524	0.5
211.14374	3.9
212.01970	0.3
219.01738	0.6
220.08273	0.4
223.20924	0.4
223.23210	0.4
225.12312	0.7
237.02876	0.6
248.07755	1.3
270.10986	0.5
270.21677	2.3
278.06937	0.9
296.08087	3.2
314.09067	4.9
314.12155	1.6
314.17328	1.0
314.21127	0.4
314.27911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0706
Annotation	5252-40-4
Peak:m/z	Relative Intensity
52.37083	0.4
55.01868	0.6
55.05494	0.4
57.03410	0.6
57.07052	0.6
63.33781	0.4
67.05488	1.1
68.99787	2.8
69.03410	1.1
69.07050	0.6
70.06569	0.5
71.57999	0.6
72.08159	0.9
79.05486	1.2
81.03391	0.7
81.07064	2.1
84.04471	0.4
84.08147	0.4
85.02908	0.8
91.05490	2.0
93.07053	2.6
95.04928	0.8
95.08601	1.8
105.07014	1.3
107.04943	0.9
107.08586	1.1
108.02112	0.4
109.06485	0.7
109.10139	1.3
111.08070	0.5
115.05462	0.5
117.06979	0.6
119.04948	0.6
119.08580	1.2
120.08081	0.5
121.06490	0.5
121.10149	1.9
123.11692	0.5
124.94847	0.4
129.07002	1.0
131.04924	0.6
133.10141	1.1
135.04433	0.8
135.08046	0.6
137.02332	1.0
137.05971	1.4
141.06953	1.3
145.10118	0.5
147.04340	0.4
149.09575	0.4
151.03900	0.9
155.04893	0.7
157.06433	1.2
157.10086	0.5
158.07224	0.7
159.08136	0.5
163.03928	0.5
163.07616	0.4
165.07022	0.7
168.05704	1.2
169.06490	2.7
169.10066	0.5
171.04373	0.5
171.11700	0.7
172.05252	0.5
175.07465	0.5
179.35217	0.4
181.06516	1.3
183.04329	0.6
185.05966	1.3
186.06723	1.6
187.07526	2.9
191.03404	0.5
192.04066	0.5
196.05185	1.8
197.05978	8.8
200.04694	0.6
200.19864	0.4
202.06241	0.9
210.06747	0.7
213.05424	2.4
214.06200	1.2
215.07051	3.6
217.08607	1.5
224.04616	1.3
225.05472	6.2
226.06168	0.8
229.08516	0.5
241.04930	0.6
242.05696	3.4
243.06500	3.7
252.07733	1.3
253.04912	5.8
253.08665	0.5
255.06497	0.6
257.08093	2.1
269.04431	19.0
270.05222	13.6
271.05716	0.8
281.04535	0.6
281.07858	0.5
285.07495	2.4
298.04718	52.4
299.05017	1.5
313.07043	100.0
314.07343	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.1
57.03437	28.0
57.07075	74.4
67.05179	1.3
67.05505	16.2
69.06720	1.4
69.07065	16.5
69.41525	9.7
71.08629	47.8
79.05489	2.2
81.07051	19.4
83.08620	16.9
85.10178	29.2
89.06011	5.0
91.05473	2.0
93.07025	5.3
95.08605	29.1
97.10151	9.6
98.20711	1.1
99.11708	2.7
103.07573	3.6
107.08565	1.7
109.10145	12.7
110.04381	0.9
111.11687	1.8
121.10146	4.1
123.11698	6.0
125.13275	1.3
137.13242	2.7
239.23665	5.2
257.24835	7.7
290.59613	0.9
313.27353	100.0
314.27661	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	313.0704
Annotation	Ochrolide
Peak:m/z	Relative Intensity
57.03438	0.3
67.05486	0.4
68.99789	5.0
69.03429	0.3
69.48216	1.4
69.48637	0.9
70.06618	0.3
79.05485	0.4
80.28917	0.2
81.07047	0.8
91.05467	0.6
93.07030	0.8
95.04983	0.3
95.08582	0.3
97.02901	0.2
98.20743	0.4
101.02368	1.0
103.05438	0.3
105.07030	0.4
107.04926	1.2
111.00824	0.4
111.04457	0.4
115.05442	0.3
119.04960	0.4
121.02880	0.3
121.10145	1.0
123.04431	0.5
127.04011	0.2
129.06960	0.5
131.04907	2.0
133.06432	0.3
141.06981	0.8
145.02824	0.7
145.06447	0.5
147.08040	0.5
151.03882	0.9
155.04930	0.9
157.06479	6.6
159.04445	0.8
159.08089	0.3
165.01863	0.3
165.07063	0.3
167.03403	0.4
169.06447	2.1
172.05110	0.5
173.02339	0.3
173.05980	0.6
175.07532	0.7
181.06462	0.9
183.04433	1.3
184.20964	0.3
185.05969	5.4
187.03920	5.5
187.07555	1.3
197.06006	3.7
198.06569	0.3
200.04669	0.3
201.05548	0.4
202.06242	0.8
204.04240	0.5
211.03862	0.7
213.05464	0.7
214.06387	0.3
215.07004	1.2
217.08597	1.2
225.05443	0.9
226.06238	0.3
228.04120	0.3
229.08611	1.0
239.07028	0.5
242.05815	0.6
243.06505	5.2
253.04956	2.5
257.08087	1.7
267.06534	0.7
269.04434	10.4
270.05206	7.9
271.05655	0.5
285.07635	0.8
297.03922	19.0
298.04697	22.9
299.04999	0.5
313.07034	100.0
314.04190	0.3
314.07446	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	313.0554
Annotation	cis-caftaric acid
Peak:m/z	Relative Intensity
51.74403	1.4
54.05927	1.6
55.01877	12.3
56.05025	2.3
56.96563	2.8
57.03432	3.0
57.07079	5.3
61.02920	7.2
65.03931	3.2
67.01833	2.1
67.05496	2.5
68.99792	3.9
69.03426	6.1
69.07060	1.9
70.06589	6.4
71.08601	3.1
71.56738	2.0
71.57098	2.0
72.08156	3.3
73.53812	1.6
79.05495	2.9
81.03419	3.9
81.07081	4.4
82.61227	1.5
83.08589	2.2
84.04485	2.4
84.08136	3.2
85.02911	3.8
85.10163	1.7
86.09676	2.4
91.05469	4.9
93.03423	2.5
95.04984	4.9
95.06088	1.9
95.08600	2.9
97.02883	2.4
105.03397	1.9
107.04950	4.3
109.02881	8.5
111.04474	2.6
116.98626	1.9
118.06649	2.4
119.04940	3.4
120.08131	2.1
121.02869	8.0
123.04430	3.5
123.07939	2.4
128.07066	14.2
133.02852	3.8
135.04401	6.6
136.07564	4.8
137.02344	14.0
139.03896	11.0
141.01810	7.9
147.04420	3.7
149.02347	25.5
149.05991	5.3
151.03902	24.4
151.07539	2.2
154.08592	2.2
161.02327	2.6
163.03886	9.9
165.01840	50.2
165.05484	1.8
175.03960	2.9
177.01833	21.0
177.05405	10.3
179.03386	17.5
183.02885	100.0
189.05574	1.9
191.03413	13.1
193.04913	2.3
195.02904	3.0
197.04883	2.5
203.03474	2.2
205.01396	2.1
205.04982	13.7
207.02893	5.9
215.03435	3.8
221.04504	10.9
223.02342	25.9
233.04446	24.2
235.02405	5.6
249.03889	19.0
251.05476	2.1
267.05026	21.4
269.09946	2.8
277.03448	25.2
295.04507	19.6
300.56271	1.8
313.05615	13.4
313.17825	2.1
313.27377	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	312.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01604	0.4
55.01858	0.6
55.05507	1.7
56.05030	0.7
57.69428	0.3
67.05495	0.7
69.03416	0.3
69.07054	1.0
70.06580	1.1
71.18842	0.7
72.08150	1.1
72.51585	0.3
73.02916	0.4
79.05495	1.0
81.07053	0.7
83.04993	0.4
83.08617	0.7
84.08144	13.4
84.92255	0.3
86.09708	0.4
88.03994	0.9
91.05479	2.9
93.06475	0.4
93.07046	6.5
94.07408	0.4
95.04958	1.0
95.08595	0.6
96.04530	0.3
96.08128	1.4
98.09695	8.1
100.07606	0.4
105.03386	0.5
105.07043	0.5
107.04918	0.6
107.08589	0.7
108.08096	0.8
109.06458	0.4
110.09693	0.7
111.08089	1.0
111.91061	0.3
114.09164	53.3
115.09499	0.8
119.08582	0.9
120.08113	0.5
121.06526	0.3
121.10127	0.5
121.76386	0.3
122.10459	0.4
128.07083	0.5
130.08606	2.9
137.05952	0.9
138.06363	0.4
138.09209	0.3
140.37421	0.4
142.08630	100.0
143.08989	2.0
150.12770	0.4
151.03871	0.4
164.07056	0.3
167.17671	0.3
177.05417	0.4
206.15446	0.6
217.38672	0.3
220.08388	0.6
252.11086	0.8
266.17450	2.5
268.15277	1.7
280.10675	0.4
297.04199	0.4
312.18045	43.6
313.07074	1.2
313.18451	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.27501	0.9
53.03944	2.4
55.01856	3.1
55.05510	73.8
57.03434	30.5
57.07075	35.9
59.49727	1.1
66.03349	1.0
67.05499	12.5
69.07066	74.7
70.04469	5.3
70.07388	1.2
71.08633	18.4
71.37585	1.0
73.02912	2.0
79.05491	7.8
81.07059	17.3
83.04987	1.8
83.08617	67.2
85.06526	1.0
85.10174	8.8
93.07029	9.1
95.08606	9.2
97.06548	7.0
97.10170	45.9
107.08598	6.0
109.10167	4.6
111.08072	3.8
111.11716	14.1
119.08546	1.7
121.10120	8.1
123.11718	2.3
125.09634	1.5
125.13289	1.7
129.05475	1.1
129.09192	0.9
135.11703	7.4
137.13304	1.8
139.11171	1.5
144.49164	1.0
149.13271	3.6
153.12648	1.3
158.49043	1.2
163.14819	1.9
177.16405	1.3
219.21132	2.0
222.28685	1.4
237.21976	1.3
311.25787	100.0
312.26117	4.6
334.98758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	29.6
57.03420	15.0
57.07073	17.4
67.05495	40.5
69.07064	80.7
71.58423	11.9
71.58791	15.5
77.17333	12.0
79.05481	16.4
81.07056	43.1
83.08601	27.3
89.76340	11.7
91.05474	46.1
93.07018	82.0
95.04970	66.3
95.08620	100.0
97.06517	19.8
105.07020	62.1
107.08598	55.0
109.06486	30.3
109.10165	43.8
117.06995	20.0
119.08591	61.7
121.10157	55.8
123.11666	22.8
131.08566	30.5
133.10103	40.2
135.11716	22.6
137.09644	14.9
139.88203	13.2
141.07034	14.1
145.10083	32.3
147.11703	17.5
149.51106	14.5
154.69682	13.4
157.10123	33.3
159.11684	45.3
159.24339	12.0
161.13312	16.8
171.11707	21.6
173.13225	21.7
177.16414	18.6
183.11693	14.9
184.54907	16.2
185.13271	15.5
201.16443	16.1
201.19969	11.2
202.05287	12.7
209.11763	18.3
211.14665	15.3
255.21043	17.0
301.29724	13.6
308.88092	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	311.2215
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.53295	3.4
53.03936	7.9
55.01875	18.4
55.05506	30.7
57.03426	11.7
57.07063	17.2
65.03918	4.7
67.05505	78.8
69.03426	15.6
69.07072	61.0
69.32598	39.1
71.04973	10.6
73.50481	3.9
79.05495	54.0
81.03399	9.2
81.06585	5.6
81.07059	96.9
83.04984	25.3
83.08620	10.8
85.02921	24.5
85.06550	4.5
91.05484	93.0
92.05804	3.6
93.03393	5.0
93.07042	81.7
93.19085	3.8
95.04432	4.3
95.04978	33.9
95.08054	5.7
95.08609	67.4
97.02894	4.1
97.06519	14.5
98.20782	7.1
99.04484	3.5
99.08091	6.2
103.05441	6.3
105.07035	45.8
107.04946	10.8
107.08597	25.4
109.06503	14.4
109.10162	34.3
111.04439	15.0
111.08096	5.4
117.07031	24.1
119.04887	4.2
119.08583	100.0
121.06538	19.3
121.10151	23.5
123.08068	25.4
123.11710	15.1
125.09650	4.2
129.05476	5.1
129.07016	10.0
131.08575	14.9
133.06511	7.8
133.10143	20.5
135.08070	18.9
135.11681	15.0
137.06036	3.9
137.09583	14.7
142.07913	4.1
144.84840	3.7
145.10133	12.3
147.08057	43.7
147.11688	31.0
149.09576	7.7
149.13263	9.1
153.05566	4.9
156.88971	3.4
159.11658	10.8
161.09605	5.7
163.11243	9.4
164.64432	3.6
165.09135	6.3
165.12766	10.2
169.10060	5.9
173.13260	5.7
177.12770	9.9
185.09549	5.6
189.09267	3.7
199.05933	5.2
205.15692	4.1
209.11749	17.1
221.15472	4.4
223.13339	4.2
231.10159	4.7
231.24359	3.5
237.11208	15.9
237.14841	9.5
247.20703	4.3
255.12329	4.7
257.18945	4.5
265.21692	5.6
275.20053	52.0
293.21078	35.6
311.22327	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03938	1.8
55.01862	3.2
55.05268	1.2
55.05510	18.5
57.03425	2.3
57.07074	4.4
67.05503	11.3
69.03416	3.2
69.05532	1.1
69.07062	5.1
70.12760	3.6
71.04990	1.3
71.08633	11.5
73.02887	1.0
79.05482	10.6
81.03415	1.6
81.07065	10.7
83.04975	6.3
83.08611	8.5
85.02895	8.3
86.08347	1.0
91.05476	24.2
91.36524	0.8
91.89021	0.9
93.07044	17.2
95.04960	5.5
95.08604	9.0
96.11123	0.8
97.02888	1.5
97.06525	1.5
97.10159	10.3
99.08094	5.8
103.05434	1.3
104.06287	1.0
105.07030	5.6
107.04948	4.5
107.08581	6.2
108.05750	1.4
109.06503	2.8
109.10175	2.7
111.04448	4.0
111.08054	1.3
115.05402	0.9
117.07000	7.8
119.08575	34.6
121.06492	7.8
121.10134	5.0
123.08087	2.6
125.05969	1.3
125.09618	7.4
128.06219	1.7
129.06993	2.9
131.08566	2.7
133.10173	1.6
135.08051	4.5
135.11720	1.8
137.05949	1.2
137.09627	3.6
143.08559	1.7
145.06461	1.4
145.10106	1.6
147.06900	1.7
147.08037	14.8
149.13277	1.3
151.11128	1.3
153.05498	1.8
157.10112	1.3
159.08064	1.2
163.11147	2.3
165.09123	3.6
165.12711	1.6
177.12717	2.0
187.11200	0.9
189.11229	3.2
209.11734	12.6
231.10132	1.3
237.11235	8.4
255.12123	1.5
275.20013	6.3
292.15674	0.9
293.21088	100.0
294.21454	3.3
306.38077	1.1
311.15134	1.7
311.25671	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.42048	2.1
55.01870	6.7
55.05505	17.4
57.03436	7.6
57.07073	12.7
67.05504	22.0
69.03422	8.9
69.07070	10.2
69.37763	22.5
71.01343	3.1
71.05003	4.6
71.08624	8.8
73.02914	3.1
73.90514	2.1
79.05497	22.0
81.03421	3.5
81.07050	17.5
83.04976	10.3
83.08610	7.5
85.02910	29.0
91.05479	69.9
91.83969	2.3
93.07044	52.4
95.04984	12.0
95.08616	17.6
97.02878	6.0
97.06561	3.6
97.10165	7.4
98.20777	3.8
98.79163	2.5
99.08137	3.3
100.51344	2.7
100.53843	2.3
103.05487	3.8
105.07031	13.4
107.04956	6.0
107.08633	12.1
109.02892	2.8
109.06516	7.2
109.10152	8.0
111.04446	9.1
117.07042	17.6
119.08578	100.0
121.06502	11.4
121.10159	12.2
123.08056	5.3
125.05980	2.5
128.06215	3.7
129.05482	4.5
129.06979	7.0
131.08566	5.5
133.10199	2.7
135.08026	6.4
135.11671	5.0
137.09636	7.1
138.22351	2.7
142.07790	2.7
143.08580	4.1
145.10114	5.2
147.08038	41.2
147.11737	3.2
149.05974	2.7
149.09631	3.0
153.05478	4.5
157.10114	3.6
165.09128	11.5
177.12703	2.4
191.10628	3.3
203.10777	2.7
205.97403	2.8
209.11748	17.4
209.13329	3.0
219.17479	4.4
224.43094	2.4
231.10208	4.9
237.11227	19.2
255.12436	4.0
293.21109	56.6
294.21436	3.8
311.15173	4.9
311.25916	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	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03946	4.4
55.01876	27.6
55.05513	68.1
57.03452	5.6
57.07082	26.0
65.03925	5.0
67.05174	3.3
67.05510	44.1
68.99763	3.6
69.03435	8.1
69.07071	20.2
69.98286	14.8
71.01354	3.3
71.04989	9.5
79.05496	53.9
79.62539	2.4
81.03406	8.2
81.07060	41.3
83.04980	51.5
83.08619	37.1
83.23971	2.6
85.02900	20.6
85.06557	2.6
89.08492	2.7
91.05480	63.0
93.07043	66.2
94.45346	2.7
94.98305	2.5
95.04971	100.0
95.08604	26.7
97.02881	4.3
97.06551	10.1
97.10168	25.9
99.04462	8.5
105.07027	27.4
107.04927	20.1
107.08597	50.2
109.02925	4.2
109.06511	10.3
109.10142	13.6
111.04444	60.3
111.08086	18.1
115.05454	3.3
117.07034	18.7
119.08584	80.6
119.09458	3.9
120.08980	3.1
121.06508	14.2
121.10138	26.3
123.08051	8.2
125.06023	9.3
125.09631	29.1
129.05470	2.7
129.07004	8.6
131.08595	19.7
133.06540	3.1
133.10139	10.1
135.04425	3.8
135.08037	12.9
135.11722	14.1
137.09628	5.8
139.11168	4.4
143.08521	5.5
145.10135	25.2
147.08038	33.5
147.09995	2.9
147.11662	8.6
149.09624	48.2
153.05441	16.9
153.09099	7.2
153.12744	8.0
157.10126	5.3
159.11702	7.9
163.11189	44.2
165.09103	7.0
165.12744	2.7
173.09653	3.2
173.13235	2.8
177.12752	7.0
181.12207	22.1
185.13229	2.5
187.11148	3.9
189.11205	25.1
191.10678	17.6
193.12427	3.1
194.99017	2.5
205.12254	9.0
209.11734	88.1
209.13657	5.6
223.13307	89.8
224.13734	3.9
227.12767	4.5
237.08810	3.1
237.11220	64.6
237.15016	5.3
239.17857	4.4
255.12323	9.0
257.18970	13.3
275.20068	94.9
275.23105	5.1
293.17801	4.9
293.21078	74.6
295.93250	2.6
311.21967	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	311.2214
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03939	5.2
55.01875	32.0
55.05507	63.6
57.03434	6.6
57.07069	7.8
62.36627	3.7
65.03941	6.3
67.05503	52.8
69.03411	11.6
69.07066	32.4
69.89920	7.3
69.90327	15.6
71.04993	18.3
73.08958	3.5
79.05492	68.4
79.73821	3.5
81.03403	9.3
81.07059	75.3
83.04991	43.0
83.08618	40.0
85.02898	25.0
85.06503	5.6
87.04438	3.8
91.05484	85.9
93.07050	70.2
95.04969	23.4
95.08623	40.6
97.02878	6.1
97.06513	41.2
97.10162	38.6
98.21379	4.9
105.07038	35.7
107.04957	7.7
107.08593	100.0
109.06512	16.5
109.10180	18.7
111.04450	14.5
111.08115	8.9
113.06001	13.0
117.07019	25.6
119.08577	91.4
121.06478	12.7
121.10144	20.3
123.08056	9.9
125.06003	8.9
125.09633	77.5
129.06984	8.8
129.47113	3.7
131.08543	13.9
133.10136	14.1
135.08046	10.5
135.11687	13.8
137.05974	7.8
137.09654	6.4
139.11191	7.5
143.08626	4.2
145.10130	14.4
147.08054	44.7
147.11662	15.8
149.09590	14.8
153.09123	3.6
153.12657	18.8
157.10072	4.4
159.11687	13.3
161.09636	5.8
163.11195	15.9
165.09155	6.8
167.10706	5.7
169.10077	4.3
169.61189	3.7
171.10243	3.9
177.12706	8.7
181.12158	6.6
187.11267	4.8
189.11243	29.4
193.12257	5.9
195.13686	4.6
205.12312	5.6
208.02011	3.7
209.11681	11.3
213.14832	5.1
223.13268	17.5
231.10213	4.1
237.11243	11.9
242.07350	4.0
247.20599	4.1
251.16446	6.9
257.18942	5.4
272.03754	4.4
275.20035	61.2
275.22809	5.8
293.21161	42.9
310.71982	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13759	1.0
55.05508	5.0
67.05515	4.4
69.03413	2.6
69.07053	3.7
71.01331	0.8
71.14732	2.4
71.27825	0.9
73.06544	1.4
79.05486	6.8
81.07044	8.0
83.04958	3.1
83.08605	3.3
85.02886	3.9
90.64571	1.0
91.05475	23.4
93.07050	14.2
95.04938	1.7
95.08594	6.2
97.06532	0.9
99.08054	2.7
105.07034	9.6
107.08591	13.2
109.06493	2.3
109.10125	1.7
111.04415	1.5
115.05459	11.3
117.07015	100.0
119.08580	26.0
121.06496	1.3
121.10139	21.6
123.08054	3.5
128.06212	8.6
129.07005	17.7
131.08574	10.0
133.10114	12.2
135.08046	1.7
135.11693	6.8
141.06975	9.2
142.07755	2.7
143.04904	4.1
143.08560	27.2
145.06458	1.8
145.10121	17.8
147.08035	9.3
153.05498	1.1
153.06973	4.5
154.07765	8.7
155.08537	8.1
157.10123	9.6
159.08028	1.8
159.11679	1.9
163.11166	4.2
165.07039	3.4
165.09120	2.4
166.07793	3.4
167.08556	10.7
167.10684	2.3
168.09341	3.4
169.10123	47.2
169.11571	2.3
170.10846	2.0
171.11650	4.8
179.08556	3.2
180.09337	3.0
181.08679	0.7
181.10117	18.1
182.10825	3.4
183.08051	14.8
183.11674	12.4
184.12375	1.6
185.09697	1.0
193.10092	5.0
193.12161	2.0
194.10896	3.3
195.11703	20.9
195.13672	2.9
196.12442	2.1
197.13258	8.2
207.11703	4.0
208.12476	3.7
209.09769	1.5
209.11690	1.9
209.13350	9.4
221.13283	1.9
221.15486	0.9
222.14034	3.5
223.11275	1.3
223.14861	10.1
231.13637	1.0
235.14807	2.8
236.15572	1.6
237.11147	1.7
237.16374	43.4
238.16841	1.9
241.12151	1.5
243.13606	1.6
251.17897	8.5
255.13841	2.0
256.14459	2.2
261.16336	1.7
279.17365	6.8
283.17004	1.1
311.20038	62.5
312.20352	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
54.45787	1.6
55.01875	5.6
55.05510	9.2
57.03437	4.9
65.03931	2.5
67.05490	7.0
69.03427	60.2
69.87160	11.6
71.01343	11.9
71.04984	7.1
73.02911	2.6
74.64104	1.9
79.05487	18.5
81.03410	4.8
81.07060	6.0
82.03214	1.6
83.04975	29.9
83.89867	1.6
85.02902	63.4
91.05478	68.0
93.03385	3.4
93.07036	70.0
93.07629	3.4
95.04959	11.0
95.08599	10.0
97.02864	4.8
98.11700	1.7
98.20792	2.0
101.69720	1.6
105.04595	1.9
105.07016	15.3
107.04952	5.2
107.08598	7.9
109.06519	5.0
109.10169	4.7
111.04430	15.1
117.07005	17.5
119.08573	100.0
121.06519	4.9
121.10127	19.3
123.04405	4.2
123.08074	5.5
128.06210	2.4
129.05467	14.8
129.06995	7.7
135.08060	4.6
135.97984	2.0
137.05995	3.6
137.09628	8.4
143.08626	2.1
147.08040	57.1
148.25447	1.7
149.09593	7.4
165.09103	19.9
187.07545	1.9
191.08678	2.5
216.57501	1.8
251.10619	3.3
293.13696	2.4
311.15082	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01864	4.3
55.05508	6.6
56.96547	4.0
57.03429	5.7
61.02921	1.7
65.03933	2.1
67.05496	5.5
69.03428	12.9
69.47838	1.2
70.06598	1.5
70.92621	1.2
71.05000	2.8
71.58290	1.8
71.58659	1.9
72.08134	1.2
75.04495	2.3
78.93898	1.6
79.05486	33.7
81.03418	10.5
81.07060	7.0
82.06581	2.0
83.04973	7.0
84.08214	1.4
85.02882	9.9
91.05476	32.7
93.07039	100.0
94.07396	2.3
95.04976	13.8
95.08586	4.0
97.02895	7.0
98.97575	13.7
99.04446	4.6
103.05459	3.8
105.07028	18.1
107.04951	5.0
107.08590	19.5
109.02222	1.4
109.02879	6.3
109.06508	6.5
111.04443	2.2
111.08117	3.6
115.05446	4.0
116.06232	1.9
116.98621	10.4
117.07026	6.2
119.08566	20.0
121.06483	4.8
121.10140	76.8
122.03626	1.6
123.04417	2.6
123.08067	4.5
127.03941	3.5
128.06218	3.5
128.07074	2.2
129.07004	4.9
131.08575	11.4
133.06494	4.1
133.10144	4.3
134.99648	4.0
135.08035	3.5
137.05977	18.3
137.09607	1.7
139.11188	2.1
141.06955	2.5
143.08524	3.4
144.05687	1.6
145.06503	2.2
145.10153	4.5
147.08054	6.2
149.06047	6.5
149.09593	14.5
159.08051	6.2
161.05963	3.9
161.09677	2.3
163.07599	2.1
165.09125	3.2
167.07047	7.3
167.10669	3.4
171.08112	2.0
175.07475	2.1
177.00711	4.6
177.09177	1.9
185.09676	1.3
187.07536	6.4
187.11348	1.6
189.09178	3.4
190.07816	3.3
191.08569	6.7
191.10252	1.5
207.10234	1.8
218.07280	1.7
219.08041	7.9
219.10014	3.1
223.04239	1.9
235.11774	1.6
236.08324	2.1
247.07579	2.3
249.11186	3.6
251.10641	11.3
253.04175	1.7
264.07819	3.0
271.04868	2.7
279.07471	2.0
279.10110	9.2
293.13824	2.0
311.12329	9.5
330.98679	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01850	1.5
55.05502	2.0
65.03899	1.0
67.05507	1.2
69.03418	1.9
70.06577	2.2
72.08141	2.5
79.05502	6.1
81.07044	3.6
83.04988	1.8
84.04483	1.2
84.08128	3.8
85.02898	2.1
85.05561	1.1
88.03992	6.2
89.03900	1.1
91.05500	9.3
93.07030	9.1
94.04182	5.4
94.75415	1.0
95.04955	3.3
95.08613	2.5
97.02891	1.5
101.64484	1.0
103.05467	2.2
105.07013	8.0
107.04936	3.4
107.08569	1.7
108.08131	1.3
108.63258	1.0
109.06506	6.1
112.08641	1.1
114.10312	1.4
115.05433	2.0
116.06190	1.0
119.08562	4.3
120.08110	1.0
121.06482	2.1
121.10149	3.9
122.03640	11.6
128.06204	2.3
129.07007	3.6
129.10217	1.2
131.04900	2.2
131.08531	1.4
133.02837	1.9
133.06487	4.5
135.04379	1.6
136.07620	1.4
137.05975	100.0
138.06297	1.3
144.05696	7.3
145.06454	2.7
147.04356	1.2
147.08061	1.7
147.11716	1.5
149.05986	4.0
151.07599	1.1
155.04926	5.1
159.08102	5.3
159.09268	1.1
161.06004	10.7
165.06989	1.8
172.05199	5.7
172.06541	1.1
175.07597	2.1
179.08566	1.9
181.06505	1.1
187.07532	35.2
188.08081	2.3
189.07007	4.4
190.07747	17.8
191.08554	33.1
202.07785	1.5
203.08569	1.2
205.06461	2.0
207.08012	5.0
208.08876	6.7
208.13194	1.3
217.06514	1.3
218.07262	9.5
219.08047	44.7
220.08780	5.3
221.05984	2.5
225.05685	1.2
225.09077	1.3
233.09706	2.9
235.07556	7.0
236.08368	9.9
237.09155	1.9
240.07755	2.7
247.07549	21.1
248.08211	3.5
250.06160	1.2
251.10664	50.7
253.08647	7.3
261.09088	4.5
263.06985	3.1
264.07840	8.2
265.08557	1.9
267.16937	2.5
268.07346	2.6
268.10828	1.4
270.08762	1.4
279.10153	46.3
280.10730	4.6
281.08163	7.3
283.09683	10.2
283.12753	1.6
293.12140	1.2
295.09698	2.0
296.10413	10.1
311.09454	1.8
311.12756	49.2
311.16299	1.8
311.19925	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63106	1.0
53.03932	2.6
55.01864	2.8
55.05499	3.1
57.03423	1.8
65.03936	1.2
67.05493	1.9
69.03419	8.0
69.07058	2.5
70.10646	1.0
70.14511	5.3
71.01337	2.0
73.64068	1.0
79.05493	18.1
81.03404	4.7
81.07047	12.5
85.02914	5.5
91.05473	14.0
93.07037	41.0
94.04178	4.2
95.04986	5.6
95.05505	1.0
95.08591	1.7
97.02878	4.8
99.04424	1.2
103.05450	3.7
105.04508	1.2
105.07033	14.5
107.04953	2.7
107.08585	12.6
109.02873	2.2
109.06512	4.9
115.05448	3.1
116.06190	2.1
117.06986	2.0
119.08572	5.6
120.40089	1.1
121.06496	2.7
121.09317	2.2
121.10138	30.3
122.03641	12.4
128.06224	1.9
129.07008	6.2
131.04942	2.4
131.08542	5.1
133.06512	5.9
135.04387	1.5
135.11652	3.3
137.05968	100.0
138.06339	1.9
144.05707	4.4
146.03600	1.8
147.08055	1.8
149.05957	8.1
149.09622	8.9
151.07512	1.7
155.04906	7.1
156.05643	1.2
159.08009	7.8
161.05975	15.7
163.07693	1.3
165.06956	5.4
165.09196	1.2
167.08447	1.1
167.10667	2.2
169.10153	1.1
172.05142	3.7
175.07544	3.8
179.08556	3.1
187.07530	28.1
189.07008	8.1
189.08691	1.8
190.07761	27.7
191.08539	52.4
192.05441	1.2
192.08755	1.6
202.07709	2.4
203.08575	2.2
205.06454	4.0
207.08041	5.4
208.08820	8.8
209.09599	1.2
217.06433	1.7
218.07249	18.2
219.08029	73.6
220.08778	8.1
221.05923	2.9
225.09134	2.3
229.07533	1.5
233.09602	2.5
235.07555	9.0
236.08279	16.2
237.09004	3.4
246.06682	1.9
247.07535	29.5
248.08206	5.3
249.05600	1.8
249.73180	1.2
251.10651	90.8
252.11029	3.6
253.08586	7.6
261.09140	5.5
263.07031	2.9
264.07819	8.5
265.08548	4.8
267.10214	1.6
268.10980	2.0
279.10150	69.1
280.10681	8.2
281.07990	11.9
296.10428	13.8
311.12720	67.2
312.13116	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	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01857	3.3
55.05507	2.6
57.03437	2.5
61.84051	1.2
67.05462	2.1
69.03407	5.2
70.06588	1.3
79.05486	16.8
80.27580	1.3
81.03395	2.5
81.07044	3.3
84.08089	2.0
85.02887	2.9
86.09682	2.0
91.05475	13.9
93.06477	2.3
93.07038	31.5
94.04168	6.2
95.04955	4.6
97.02884	3.7
99.04439	2.0
103.05495	2.8
105.07025	13.7
107.04932	3.3
107.08580	10.9
109.06504	4.7
115.05428	3.2
119.08547	4.8
121.06461	2.1
121.10140	32.0
122.03648	13.8
127.03949	2.0
127.05392	1.3
129.06984	3.8
131.04921	2.2
131.08548	3.1
133.02824	2.1
133.06444	6.1
135.08040	3.0
135.65652	1.4
137.05969	100.0
144.05690	5.1
145.06500	3.0
147.08057	1.4
149.05966	6.0
149.09705	2.8
155.04906	8.6
159.08043	9.9
161.05968	12.3
163.03885	1.8
165.06975	4.1
172.05203	2.5
175.07516	4.0
179.06944	1.5
179.08487	1.8
187.07530	24.3
189.07053	6.4
189.08702	1.5
190.07768	29.0
191.08543	51.0
192.08913	1.8
202.07774	3.7
205.06488	3.1
207.08041	8.1
208.08859	7.0
218.07234	16.4
219.08037	67.1
220.08701	6.9
221.05923	2.4
223.11107	1.9
225.09000	1.6
233.09631	2.5
235.07510	10.2
236.08270	14.9
237.09106	2.2
247.07538	30.1
248.08261	4.9
249.05421	1.8
250.09947	1.5
251.10652	82.0
252.11076	3.0
253.08578	6.7
261.09122	5.2
263.06915	3.1
264.07819	11.9
265.08636	2.5
279.10165	63.1
280.10788	6.4
281.08087	10.6
296.10406	12.1
311.12714	57.1
312.12869	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
53.03934	1.7
55.01855	2.3
55.05496	1.3
56.96567	1.6
57.03441	0.9
63.68078	0.7
65.03931	1.2
67.05492	2.0
67.06097	0.7
69.03423	5.1
69.07076	0.8
79.05493	12.0
81.03418	3.9
81.07063	5.4
84.08061	0.7
85.02885	2.7
91.05479	11.8
93.07042	24.4
94.04173	6.3
94.07368	1.4
95.04945	4.0
95.08594	1.2
96.05278	1.0
97.02877	2.2
98.97553	1.4
99.04438	1.0
103.05445	2.8
105.07019	10.9
107.04937	2.7
107.08585	5.9
109.06507	5.4
109.10084	0.8
112.43105	0.9
115.05438	2.9
116.06234	1.5
119.08564	3.6
121.06509	2.0
121.10136	17.6
122.03631	11.4
122.10466	1.4
123.04425	1.4
123.08076	1.4
123.11703	1.4
127.03957	1.1
127.05418	1.4
128.06239	1.8
129.06973	5.1
131.04903	2.6
131.08578	3.5
133.06500	5.0
137.05972	100.0
138.06323	1.5
141.07002	1.4
143.04922	1.4
144.05757	4.7
145.06477	2.2
147.07979	1.0
149.01323	1.1
149.05957	5.3
149.09602	7.0
152.06200	0.9
153.07018	1.3
155.04903	8.1
155.05992	1.7
156.05672	1.8
159.08063	8.3
161.05977	12.2
163.07515	1.3
165.06990	3.7
171.04382	1.0
172.05215	2.1
175.07547	2.9
178.07774	1.2
179.08586	2.2
180.09329	2.4
181.06511	1.4
186.99106	2.6
187.07541	28.4
188.08096	1.1
189.06978	8.0
190.07771	29.9
191.08545	54.6
192.08910	2.7
193.06454	1.4
201.06906	1.7
202.07803	3.0
203.08592	1.3
205.00117	1.1
205.06493	3.2
205.10112	0.8
207.08098	7.2
208.08824	7.6
211.07379	1.1
217.06438	1.2
218.07251	16.2
219.08047	70.8
220.08739	8.6
221.05991	3.4
223.11115	1.2
224.08086	0.9
225.09064	1.8
229.07614	2.2
231.08080	1.0
233.09641	2.4
235.07574	10.5
235.10927	0.8
236.08316	16.4
237.08948	4.0
246.06799	1.9
247.07556	29.8
248.08328	4.4
249.05452	1.8
249.09177	1.2
250.09982	0.9
251.10666	90.6
252.10971	3.5
253.08563	8.0
261.09048	3.0
263.07053	2.6
264.07813	11.0
265.04962	0.8
265.08539	3.7
266.05707	1.3
267.10141	1.5
268.10916	1.8
277.08466	1.1
278.09305	1.5
279.10150	64.9
280.07773	0.9
280.10791	5.5
281.08051	10.7
283.13324	1.4
295.09598	1.4
296.10431	12.7
311.05469	6.5
311.12741	59.5
312.13049	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89299	1.1
53.03932	4.2
55.01861	3.4
55.05503	3.5
57.03425	3.2
58.19088	1.2
65.03918	1.8
67.05487	5.1
69.03426	11.3
69.07057	3.3
69.96296	4.6
71.01340	2.3
71.04974	2.4
72.08155	1.6
79.05495	16.5
81.03418	7.8
81.07066	10.3
83.04976	4.2
83.08621	1.5
85.02910	11.8
91.05482	26.2
93.07043	40.9
94.04192	6.5
95.04946	5.8
95.08591	5.1
97.02885	5.4
98.98460	1.4
99.04437	2.6
103.05448	3.1
105.07037	15.4
107.04951	4.6
107.08584	7.0
109.02859	2.9
109.06532	6.5
109.10155	2.6
111.04434	1.9
115.05412	3.5
116.06206	2.2
117.07020	5.2
119.04973	1.7
119.08591	22.1
121.06496	4.1
121.09323	2.5
121.10147	34.7
122.03648	14.9
123.08093	1.9
127.03905	1.3
128.06238	3.5
129.05441	1.3
129.07021	7.5
131.04921	3.0
131.08557	6.3
133.06578	5.9
133.10172	2.2
135.04387	1.4
135.08096	1.5
137.05978	100.0
137.09596	2.5
138.06287	1.9
139.04483	1.3
141.06961	1.8
144.05713	4.6
145.06461	2.3
147.04350	1.6
147.08047	10.9
149.05978	5.8
149.09639	9.7
152.04544	1.2
155.04884	6.9
155.06036	1.7
159.08046	9.4
161.05969	14.9
163.03885	1.4
163.11162	1.6
165.06955	3.9
165.09128	2.9
167.07101	2.0
167.10706	1.6
172.05220	3.7
173.05940	1.9
175.07608	2.5
179.08560	2.3
180.09319	1.4
181.06587	1.5
187.07550	28.0
189.06996	7.7
189.09027	1.4
190.07780	27.6
191.08563	52.9
191.10320	2.6
192.08960	1.6
194.07269	1.6
202.07770	2.6
203.08569	3.0
205.06442	3.5
207.08041	8.7
208.08839	7.5
211.14847	1.6
218.07272	16.2
219.08063	71.4
220.08659	7.6
221.06039	3.3
222.06784	1.3
225.08975	1.2
233.09587	3.4
235.07538	10.9
236.08392	13.5
237.09134	2.5
246.06590	1.5
247.07539	28.1
248.08249	4.9
249.05200	1.4
250.09871	1.5
251.10678	86.7
252.10971	3.0
253.08672	6.1
261.09045	3.6
263.06976	2.9
264.07806	10.0
265.08566	5.3
268.10953	1.4
279.10175	67.2
280.10858	8.2
281.08075	11.3
283.12820	1.5
296.10449	10.6
311.05533	2.0
311.12741	55.9
311.15854	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	311.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64270	1.1
55.01862	1.8
55.05491	1.4
57.03422	1.3
67.05502	2.1
68.99788	5.6
69.07057	1.2
70.88013	3.6
71.04993	1.2
79.05482	5.1
81.03378	2.0
81.07043	4.0
84.38679	1.0
85.02931	1.9
91.05479	8.4
93.07042	7.5
94.04173	4.2
95.04928	2.1
95.08575	2.7
103.05464	2.7
105.03384	1.3
105.07027	6.7
107.04945	3.8
107.08599	3.0
109.06512	4.2
109.10149	1.9
115.05451	3.2
116.06204	2.1
119.08566	3.8
121.06473	2.3
121.10098	6.7
122.03641	9.9
123.04378	1.3
123.08099	1.2
128.06233	2.4
129.06996	5.5
131.04924	1.4
131.08571	3.1
133.06482	4.4
133.84207	1.1
134.03609	1.6
135.11644	1.2
137.02328	3.2
137.05974	74.5
137.09595	1.5
139.05473	1.6
141.06929	1.5
144.05682	3.4
145.06473	2.0
147.08047	2.0
149.05940	5.2
149.09613	1.6
152.06187	1.8
153.07002	3.3
155.04906	4.4
159.08026	7.8
161.05977	7.7
165.07013	4.3
169.10205	1.1
171.04424	2.6
172.05154	3.0
175.07506	3.3
179.08533	1.7
180.09309	1.3
181.06483	6.9
187.07538	25.4
189.05492	1.5
189.06979	6.2
190.07773	19.9
191.08545	43.9
192.08972	1.2
197.06038	1.4
202.07742	2.1
205.06473	4.2
207.08049	4.6
208.08888	6.3
209.05963	4.8
210.06635	1.8
213.05437	3.5
217.06641	1.6
218.07227	15.0
219.08049	55.8
220.08702	5.9
221.05983	3.6
223.11365	1.2
225.09105	1.9
227.06941	2.8
233.09619	2.1
235.07549	7.2
236.08330	10.8
237.05452	13.7
237.09126	2.0
241.04887	1.6
246.06647	1.9
247.07550	23.6
248.08368	3.1
251.10666	73.2
252.11021	2.0
253.08601	6.8
255.06522	2.6
261.09131	5.6
263.07013	3.1
264.05264	1.4
264.07788	8.7
265.04999	17.4
265.07996	1.6
266.05698	10.0
267.06177	1.2
279.10156	47.7
280.10776	4.6
281.08072	7.1
282.05399	1.7
283.06064	4.7
293.04440	12.1
294.05121	5.2
296.03088	2.1
296.10403	8.3
310.04968	1.4
311.05493	100.0
311.12762	41.0
312.05664	7.1
312.09146	1.4
312.13022	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
53.48070	2.9
55.01857	4.3
55.05505	10.0
56.05061	4.8
56.96566	4.1
57.03436	9.2
61.02916	5.8
67.05502	6.5
68.05021	4.2
68.79835	3.0
69.03436	38.4
69.07047	5.6
70.06598	32.5
71.01360	4.4
71.04987	3.0
71.06940	6.4
71.57394	5.2
72.08157	15.5
73.02917	6.3
73.64775	3.7
79.05499	10.9
81.03420	20.4
81.07055	4.2
83.06104	3.3
84.04500	24.2
84.08138	24.7
85.02898	22.3
86.09730	6.3
91.05489	20.9
93.07024	4.2
95.01308	4.0
95.04964	8.4
97.02893	33.7
97.89400	3.0
98.06039	11.5
98.97588	3.5
99.04409	6.8
103.03933	4.5
103.05464	12.8
105.07016	4.4
106.72540	3.1
107.04943	10.4
110.06001	3.7
110.07169	19.0
114.10320	5.7
115.03962	4.8
115.05504	6.3
115.08698	5.6
116.07042	3.4
117.07002	6.4
119.04932	26.1
121.06529	5.7
122.03651	7.9
123.04434	18.7
127.03916	15.8
129.05450	9.9
129.10233	7.5
130.05016	7.1
131.04924	16.4
133.06468	4.0
135.04442	8.9
135.08104	4.5
136.07568	48.9
137.05974	100.0
141.07016	9.0
143.04897	3.3
145.06493	10.3
147.04439	26.5
149.05998	25.0
151.03920	9.2
151.07587	8.8
157.06535	3.5
157.10875	5.9
159.04408	6.8
160.05200	8.9
161.05963	7.2
161.07092	28.4
162.03143	4.3
163.03923	10.7
163.07559	11.6
165.05490	24.2
167.07045	6.8
169.06491	10.5
173.05983	4.5
175.07596	10.0
176.04675	7.5
177.05472	32.4
179.07031	16.9
181.04915	4.0
182.08099	19.9
187.07518	8.3
189.05455	5.6
190.58614	2.9
191.06987	34.5
191.08270	4.3
197.05963	8.6
201.05820	3.3
203.07063	10.0
205.08618	4.4
207.06558	7.9
211.07639	4.4
215.07089	8.1
219.74063	3.8
221.08105	11.1
229.08527	20.7
233.08096	9.3
248.09158	3.4
251.10658	3.8
252.12309	9.1
257.08243	9.9
275.09311	6.4
293.10403	11.4
304.47806	3.8
311.06870	3.8
311.12048	13.3
311.17230	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.0
55.05509	38.9
56.05029	2.3
60.05630	1.9
67.05504	1.2
69.03421	1.5
70.06583	7.9
70.45946	1.5
70.46344	2.1
72.08154	6.2
73.06435	2.0
73.08495	1.2
74.02439	15.1
79.05483	2.0
80.05012	1.8
82.06577	100.0
83.06894	1.0
84.08135	4.5
86.07184	2.8
86.09721	0.9
87.07965	3.4
91.05489	8.1
93.07031	4.7
95.04951	2.0
95.77452	0.9
97.07655	1.4
98.06060	2.1
100.06988	1.4
100.07616	20.6
100.08702	2.6
104.99404	1.0
105.07026	1.3
107.04964	2.4
110.07188	1.8
114.10297	4.4
115.08688	1.0
117.03414	1.0
117.06970	1.2
117.37990	0.9
118.06554	0.8
119.08574	6.0
120.08080	1.8
128.07076	64.6
129.10236	1.4
131.04890	1.0
131.12903	2.5
133.02792	1.0
135.04344	1.6
136.06203	1.3
137.05937	2.9
138.06404	0.9
146.03152	0.9
146.08110	18.5
147.03372	1.1
147.04388	2.0
147.07994	2.8
148.04732	2.5
152.05652	1.0
157.10840	2.5
163.03867	3.1
177.05515	1.2
179.03462	1.0
179.05917	3.0
180.06311	2.4
233.09976	1.1
251.10796	1.0
281.16168	1.3
293.15955	1.9
310.07886	0.9
310.15521	5.8
310.18781	2.6
311.13538	1.0
311.17139	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	309.2787
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03945	1.4
55.01884	1.7
55.05263	1.3
55.05510	17.5
57.03440	4.9
57.07068	5.8
59.05000	1.9
64.13319	0.7
65.03927	1.3
67.05506	13.8
69.03428	2.7
69.07066	100.0
70.83143	1.6
70.83505	1.6
71.04986	2.5
71.08604	1.0
73.06562	0.9
79.05486	9.3
80.38556	0.6
81.03423	2.0
81.07056	36.5
83.04960	1.6
83.08604	9.1
84.04456	0.9
84.08167	1.1
85.02907	2.3
85.06561	4.7
85.10198	1.0
91.05465	8.8
93.07042	14.6
95.04974	2.4
95.08604	29.4
97.02894	1.4
97.06522	4.9
97.10174	4.6
99.08099	10.3
105.06406	0.9
105.07014	4.9
106.28609	0.8
106.99558	0.7
107.04919	1.4
107.08578	13.4
107.42096	0.7
109.06559	2.2
109.10154	11.0
111.08066	6.1
111.11716	25.7
115.51667	0.7
117.07029	2.2
119.04935	2.9
119.08577	10.5
121.10141	9.5
123.08073	0.9
123.11712	9.2
125.09624	1.3
127.07584	2.5
129.06993	0.9
129.12749	1.6
131.08607	1.5
133.10158	3.4
135.08113	1.2
135.11687	7.0
137.09663	0.9
137.13243	3.5
139.11176	15.4
145.02840	2.1
145.10098	1.0
147.04422	9.8
147.08081	3.3
147.11722	2.1
149.13261	6.3
151.11169	1.2
151.14888	0.9
153.12784	3.4
157.12270	1.2
159.11688	1.0
161.09669	0.8
161.13181	1.4
163.11211	1.5
163.14864	2.7
167.14352	1.7
177.05518	2.4
189.16489	0.8
191.17885	1.0
199.61183	0.7
238.21898	0.8
255.13200	0.7
273.18637	1.3
277.08630	2.7
277.37582	0.7
278.09192	0.8
281.11789	1.5
291.19669	2.0
291.26929	3.1
309.11258	3.1
309.27866	11.0
310.14981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	3.7
53.59108	2.2
55.01872	71.3
55.05508	32.6
57.03435	5.0
57.07060	10.0
64.95487	2.7
67.05501	46.2
69.03417	2.9
69.07053	23.3
70.26701	9.3
71.04976	4.1
71.08620	6.8
79.05493	30.3
80.03080	2.5
81.03413	6.4
81.07056	54.8
83.04638	1.8
83.04996	18.3
83.08617	21.9
85.06518	2.8
85.10176	14.9
91.05484	29.5
93.07043	36.1
95.04974	19.1
95.08608	44.6
97.06532	27.1
97.10168	5.1
99.08116	5.1
105.07042	22.4
107.04934	8.3
107.08603	19.3
109.06516	7.9
109.10148	19.4
111.08083	59.2
113.09644	19.7
117.07016	3.2
119.08601	17.6
121.10163	12.9
123.04376	4.6
123.08080	5.6
123.11702	8.8
125.09627	5.0
129.07034	4.5
131.08559	7.3
133.10144	24.6
135.11670	11.5
137.09651	4.0
137.13251	3.1
139.11218	5.2
145.10121	3.9
147.08075	2.9
147.11662	18.3
149.09660	11.3
149.13203	4.7
151.11165	11.0
153.12691	6.3
153.15436	2.2
159.11664	4.3
161.13249	6.9
161.16179	2.4
163.11140	7.7
165.12746	24.3
175.11314	4.9
175.14790	3.5
179.14249	7.8
189.12743	2.8
193.12273	3.2
215.01268	2.8
217.15802	2.4
231.21158	3.0
235.13284	4.6
241.19511	4.3
249.22147	14.8
256.18683	2.4
259.20572	8.0
274.16110	2.5
277.21631	100.0
295.22684	9.9
309.24277	13.0
309.29779	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	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96666	2.7
51.25571	2.7
53.03934	3.8
55.01875	87.3
55.05509	34.2
57.03432	3.8
65.57529	2.7
67.05504	43.8
69.03459	3.6
69.07068	42.6
69.25899	18.0
69.26323	13.4
71.04994	5.9
79.05493	35.8
81.03413	5.1
81.07053	93.1
83.04977	16.0
83.08626	30.2
85.06539	8.1
88.56042	2.7
91.05476	37.1
93.07045	52.6
95.04945	9.4
95.08614	50.1
95.78458	3.0
97.06530	100.0
97.10120	4.9
99.08099	4.9
105.07028	36.3
107.08598	34.7
109.06490	6.3
109.10162	14.9
111.08095	18.7
113.09641	2.8
114.81092	2.8
117.07008	5.6
119.08567	28.5
121.10152	31.9
123.08044	8.0
123.11735	17.9
125.09634	8.0
129.06999	2.8
129.09163	3.6
131.08600	3.3
133.10143	20.2
135.11699	22.3
137.09650	3.7
137.13239	4.6
139.11183	10.4
145.10141	8.4
147.11694	54.8
149.13229	14.5
150.56238	3.1
151.11154	7.8
154.15298	2.5
156.37262	3.0
157.10179	5.4
159.11694	3.6
161.13245	9.8
163.11348	6.1
163.14815	6.2
165.12767	31.3
173.13197	3.7
179.14275	8.2
193.12183	3.3
207.13831	3.4
221.15245	3.6
231.21059	4.2
241.19559	8.8
249.22124	9.0
259.20605	17.1
277.21652	93.7
309.24341	25.7
323.64960	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.05501	27.9
57.03428	23.8
65.03012	8.7
67.05506	100.0
69.07073	19.9
71.08632	61.4
71.19646	19.7
79.05494	76.7
81.03415	10.8
81.07063	90.6
82.51890	7.6
83.05000	13.4
83.08600	16.8
85.06532	9.7
91.05483	38.6
93.07040	93.7
95.04993	10.1
95.08619	71.5
97.06554	17.2
97.10175	19.5
99.08099	55.3
105.07031	30.0
107.04948	12.2
107.08604	55.7
109.10147	27.8
119.08569	21.4
121.10124	51.9
125.09631	14.6
131.08574	13.4
133.10136	22.5
135.11670	51.7
140.63136	8.1
145.10141	10.1
147.11693	15.1
149.13274	23.2
151.11162	32.5
159.11589	10.0
161.13251	23.3
179.14293	98.0
249.97559	8.4
259.20596	13.9
277.21674	67.4
303.99579	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	309.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.0
55.05509	15.6
57.03441	36.2
67.05515	38.3
69.03422	11.3
69.07066	11.1
70.54967	13.5
71.04990	6.3
76.02225	6.2
79.05518	28.6
81.03423	9.0
81.07056	33.5
83.04996	5.8
83.08620	4.8
85.02931	5.9
85.06539	38.8
91.05471	23.5
93.07057	32.7
94.04214	5.6
95.04980	54.2
95.08595	13.6
97.26397	5.2
104.39384	4.7
105.07036	20.7
107.08580	20.5
109.06514	51.1
109.10139	10.5
111.04366	4.9
113.06009	99.8
117.07001	7.3
119.08603	21.2
121.06479	5.0
121.10142	9.3
122.03619	8.1
123.03934	5.3
123.08111	6.3
124.04068	6.5
131.08585	15.3
133.10114	7.2
135.08051	39.7
135.11699	11.9
137.05977	54.3
137.09607	6.4
138.06325	81.1
139.06509	100.0
140.06740	57.6
143.08542	5.8
145.10135	10.3
157.10104	4.9
159.11673	6.4
161.09715	5.4
177.05534	5.3
196.45778	4.7
217.15872	11.0
233.87289	4.4
273.18448	13.6
291.19583	54.2
309.21564	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	309.221
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03934	5.1
53.64016	2.5
55.01867	6.1
55.05503	20.0
56.20833	2.8
57.03423	5.7
57.07074	4.1
57.19746	2.7
60.82167	2.4
65.03957	3.0
67.05505	35.2
69.07071	19.4
70.84184	6.7
76.02691	2.4
77.03896	3.5
79.05491	36.7
81.03412	3.9
81.07057	47.3
83.04946	5.9
83.08601	8.8
91.05474	41.1
91.42825	3.0
93.06480	4.5
93.07040	70.7
95.04968	57.3
95.08608	46.6
97.06530	18.0
103.05457	6.7
105.07029	88.2
107.08596	37.1
109.06503	12.2
109.10157	22.9
115.05412	8.1
116.06236	2.9
117.07042	19.0
119.08570	71.3
121.06478	11.5
121.10136	100.0
123.04362	2.9
123.08047	14.8
123.11705	10.6
128.06223	9.1
129.06990	13.5
130.07776	7.0
131.08556	40.1
133.10121	47.5
134.10461	4.7
135.07985	4.1
135.11679	12.2
141.06938	7.9
142.07793	20.3
143.08549	31.2
144.09344	4.1
145.06410	3.8
145.10103	47.4
145.11165	5.6
147.08031	7.6
147.11691	18.7
149.09605	4.2
153.06975	4.6
154.07765	5.8
155.08540	15.9
156.09303	12.7
157.10110	50.1
158.10855	5.2
159.08018	5.7
159.11687	38.1
161.09589	10.4
161.13245	9.4
163.51192	2.6
165.07051	4.0
167.08530	3.3
168.09337	3.0
169.10124	25.1
170.10866	7.7
171.11661	22.4
173.09590	3.3
173.13197	18.8
175.14891	8.1
178.07704	2.6
179.08524	6.7
181.10112	9.5
182.10881	8.3
183.11690	17.1
185.13196	16.1
187.11171	11.0
187.14784	17.8
189.12784	3.3
193.10098	7.6
194.10890	4.7
195.11632	7.3
196.12445	3.6
197.13252	20.4
199.11162	3.5
199.14792	11.5
201.54929	2.7
204.86694	2.8
206.10826	4.6
207.11638	8.3
209.13283	13.7
210.14081	3.8
211.11240	4.4
211.14764	11.4
213.16397	6.6
215.14407	3.4
221.13200	8.1
223.14780	6.5
225.12787	4.5
225.16402	7.7
226.47807	2.9
235.14787	6.9
237.16393	3.4
239.14156	6.2
239.17982	4.6
241.15816	3.0
249.16309	4.0
251.17767	4.3
253.15826	7.6
261.16193	2.6
263.68985	3.2
265.19543	5.3
274.00412	2.9
279.21176	3.3
281.22720	9.1
291.20889	10.0
309.18500	6.2
309.22064	98.6
309.28293	4.6
310.22458	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	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03935	7.1
55.01863	18.2
55.05267	3.9
55.05509	64.1
57.03423	7.1
67.05128	2.9
67.05499	46.2
68.59434	2.1
69.03419	10.0
69.07071	21.8
69.51558	19.6
71.04989	5.0
79.05069	3.8
79.05491	49.9
81.03420	17.6
81.07056	100.0
83.04975	16.9
83.08622	31.5
85.02876	5.7
85.06541	3.7
91.05465	22.0
93.07037	28.8
95.04955	14.9
95.08604	25.3
97.06522	9.5
97.10154	39.5
99.04385	2.4
99.08041	6.1
99.94711	2.6
105.07033	23.3
107.04976	5.6
107.08568	22.2
109.06513	8.8
109.10143	11.8
111.04414	15.3
111.08055	10.6
117.07014	8.0
119.08586	23.4
121.06507	6.6
121.10154	12.9
123.08050	45.9
123.11658	3.5
125.09633	30.3
129.06972	7.1
131.08543	10.8
133.10139	9.1
135.08047	9.4
135.11690	9.2
137.09590	11.2
139.11086	2.8
143.08551	6.1
145.10107	7.1
147.08046	9.6
147.11697	7.0
149.09570	7.6
153.09097	5.3
153.12729	6.9
154.44551	2.4
157.10156	4.2
161.09575	4.8
163.11143	23.0
165.09105	13.8
167.05342	2.9
175.11185	5.7
181.12195	9.4
189.11183	25.5
189.12532	2.9
191.10664	6.0
193.12238	13.5
211.13257	4.9
223.13280	5.7
227.12857	6.0
227.17998	3.0
235.13301	2.7
255.17380	3.9
260.56949	2.8
263.20206	2.8
273.18542	21.0
291.19537	62.9
292.19897	3.1
309.20493	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	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.42354	2.2
55.01884	5.3
55.05502	5.9
56.83086	2.1
57.03434	38.8
65.69141	2.1
67.05173	3.0
67.05505	35.7
69.03409	2.7
69.07067	4.4
69.38337	20.0
70.59749	2.1
70.83015	2.3
71.04987	4.7
71.10134	2.4
75.69007	2.1
77.96330	2.3
79.05495	18.2
81.07047	13.1
85.06545	33.8
90.59455	2.4
91.05479	15.5
93.07042	15.9
95.04962	33.9
95.08590	8.5
97.06544	2.7
105.07048	11.2
107.04954	4.1
107.08591	11.2
109.06519	45.6
109.10117	3.6
113.06002	100.0
115.41871	2.0
117.07032	8.6
119.08589	5.3
121.06492	2.6
121.10165	3.7
123.08025	2.8
129.07010	4.6
131.08563	9.4
133.10081	5.9
135.08043	33.8
135.11754	3.9
143.08554	6.3
145.10117	4.4
147.11765	2.5
149.09689	4.5
157.10205	5.4
159.11681	3.2
161.09596	6.6
199.14809	4.0
217.15788	14.1
263.20013	3.4
265.87479	2.1
273.18433	17.3
291.19574	40.6
315.19684	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	11.9
55.01860	20.3
55.05511	32.7
56.17299	6.6
57.03424	19.1
59.83601	6.4
67.05505	79.6
69.03417	9.9
69.07063	22.2
69.35498	62.9
71.04965	10.4
74.49420	6.0
79.05482	56.4
81.03411	21.9
81.07053	100.0
83.04969	27.1
83.08585	12.8
85.02885	10.4
85.06522	11.2
91.05461	55.6
93.07038	53.2
95.04951	34.3
95.08604	35.4
97.06506	10.6
97.10136	16.1
105.07028	28.2
106.03754	6.2
107.04933	12.2
107.08605	31.5
109.02833	7.4
109.06512	26.3
109.10157	18.8
111.04424	40.7
111.08068	14.2
113.05978	17.4
117.07008	16.8
117.46293	7.7
119.08583	46.7
121.06483	9.3
121.10136	19.7
123.04397	10.2
123.08064	19.3
129.07027	13.6
131.08539	24.8
133.06560	8.0
133.10153	10.5
135.08040	23.1
135.11674	19.6
137.05989	7.5
143.08574	6.8
145.02847	9.3
145.10120	26.3
147.08046	23.9
157.10115	8.0
161.09653	8.2
163.11186	27.1
171.11700	6.9
177.05502	11.4
181.12234	11.6
191.10669	14.9
193.12297	8.1
217.15932	7.3
249.14972	8.0
273.18564	33.3
284.74463	7.3
291.19510	82.2
309.20676	15.1
309.24020	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.58979	1.4
53.03934	3.9
55.01874	6.5
55.05512	31.1
57.03449	1.8
59.42526	1.3
63.34235	1.6
66.96023	1.4
67.05502	18.7
69.03421	5.7
69.07073	11.3
70.84150	2.3
70.84499	3.1
79.05493	19.4
81.03426	4.2
81.07052	25.5
83.04972	5.5
83.08617	16.0
84.47148	1.3
90.00867	1.6
91.05479	12.6
93.07046	13.7
95.04974	6.0
95.08607	10.0
97.06502	2.6
97.10174	26.4
105.07020	10.5
107.04958	5.5
107.08599	11.7
109.02856	1.9
109.10150	6.6
111.04433	4.0
111.08090	2.4
117.07017	3.6
117.07785	1.5
119.04928	2.1
119.08604	9.4
121.06525	3.6
121.10162	5.4
123.08042	8.6
125.09619	16.4
129.06996	2.7
131.08582	4.5
133.06512	3.4
133.10138	4.9
135.08089	3.4
135.11700	1.6
137.09624	3.0
143.08611	1.8
145.10175	4.3
147.08095	5.0
147.11662	5.1
149.09633	2.0
152.31857	1.6
161.09645	1.8
163.11237	2.1
165.09187	5.4
181.12189	3.1
189.11212	12.9
191.10663	1.7
221.11929	1.7
223.13368	1.9
227.17923	2.0
235.13373	2.3
239.68666	1.4
255.17470	1.9
263.20145	2.1
263.23770	1.7
273.18503	14.9
291.19550	100.0
292.19855	3.6
309.20566	7.1
328.60602	1.4
334.93704	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03936	6.2
55.01870	20.8
55.05263	3.0
55.05510	36.6
57.03424	8.3
57.07073	2.6
65.03931	3.8
67.05500	83.8
69.03429	4.4
69.06718	3.1
69.07066	33.4
70.12719	7.1
71.04992	10.7
73.06544	2.4
79.05486	53.2
81.03408	5.4
81.07053	100.0
82.07378	3.8
83.01334	3.8
83.04984	14.7
83.08616	15.4
85.06525	8.0
91.05476	60.4
93.06479	3.8
93.07041	55.7
95.04937	20.0
95.08604	35.3
96.57726	2.1
97.02876	3.4
97.06508	12.5
97.10169	4.8
99.04463	5.3
99.08073	3.7
101.06012	1.9
105.07021	60.1
106.76388	2.0
107.04940	9.2
107.08589	56.6
109.06506	15.7
109.10148	88.5
111.04440	6.4
111.08089	12.7
113.06015	4.0
117.07017	10.7
119.08577	19.9
121.06487	13.7
121.10138	13.6
123.04453	4.0
123.08080	9.8
123.11685	16.5
125.09609	4.7
127.07568	5.2
128.06189	3.5
129.06987	4.6
131.08551	17.6
133.06505	10.5
133.10120	95.7
135.08043	7.3
135.11671	10.5
137.05968	3.7
137.09599	4.9
139.07547	8.9
139.11104	2.5
143.08553	8.4
145.10081	12.0
147.07990	11.8
147.11676	7.5
149.09625	7.9
151.11171	56.1
157.10136	6.2
159.08138	2.0
159.11723	4.3
161.09622	11.0
161.13269	5.8
163.11134	3.5
165.09097	3.1
165.12785	2.0
169.10172	2.3
169.12263	11.5
171.11668	6.9
175.11165	5.7
177.05328	2.4
177.09052	2.8
177.12772	3.7
179.10632	4.9
179.14264	3.5
181.08501	3.4
181.12254	3.2
185.13232	2.5
187.11212	2.7
189.12709	4.9
193.12251	3.6
199.11235	2.8
203.14314	4.3
207.13730	3.2
213.12706	2.1
215.12720	4.4
217.12340	3.1
227.17931	3.8
233.15372	2.7
245.19032	16.7
255.17429	4.4
263.20108	13.9
273.18481	28.0
291.19498	64.6
309.20615	22.9
309.24313	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	7.9
55.01866	10.5
55.05263	3.8
55.05508	53.7
57.03425	6.4
57.07076	4.0
58.19497	2.5
65.03937	3.0
67.05505	42.9
69.03415	11.0
69.07071	30.4
69.60820	20.0
70.00172	2.3
70.04069	5.9
71.04977	4.1
79.05489	35.6
81.03405	11.3
81.07050	49.8
82.17039	2.2
83.04966	10.3
83.08611	32.8
85.02880	5.6
85.06566	3.4
86.78394	2.4
91.05471	24.3
93.07034	30.0
95.04975	18.6
95.08595	29.4
95.55804	2.5
97.06528	6.9
97.10159	44.1
105.07026	20.5
106.45801	2.3
107.04961	9.4
107.08590	25.3
109.06527	4.9
109.10138	11.2
111.04416	4.7
111.08075	4.3
117.07004	10.1
119.08570	18.4
121.06526	6.2
121.10146	12.0
123.08059	28.6
123.11705	2.5
125.09611	34.4
129.07013	5.3
131.08528	6.5
133.06468	4.0
133.10112	13.8
135.07996	6.7
135.11659	4.9
137.09605	5.7
143.08537	6.6
145.10095	10.0
147.08044	11.8
147.11710	7.2
149.09621	4.5
157.10112	3.7
159.11819	3.4
163.11194	4.5
165.09111	4.0
175.11060	3.9
181.12184	2.9
189.11163	24.4
191.10779	3.8
193.12276	3.2
211.13237	4.2
217.15906	3.2
223.13181	5.0
233.15344	3.4
236.99098	2.6
255.17171	3.0
273.18475	21.9
291.19534	100.0
292.19827	5.4
309.20584	18.5
309.24213	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	309.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.05502	16.0
59.04860	11.9
60.05647	40.6
66.91129	3.5
69.29594	39.6
70.06592	58.5
70.64069	4.7
72.05630	4.2
72.08154	92.7
73.06445	17.4
79.05501	6.7
81.03432	5.6
82.36463	4.2
84.05703	3.8
84.08138	14.5
86.07188	42.2
87.07977	39.1
87.58442	3.3
91.05462	20.0
92.76572	3.9
95.04967	12.7
97.07643	24.7
98.06061	25.3
98.07188	6.4
99.44228	3.3
100.08752	21.2
101.09549	5.7
105.00146	3.5
105.03380	5.1
107.04945	12.0
110.07185	9.6
112.08716	20.5
114.10278	59.0
115.08704	17.6
116.08231	9.6
118.04185	5.7
118.06586	5.1
119.04942	25.1
119.06919	9.6
119.08571	7.5
120.08140	5.5
121.02860	11.2
122.06024	9.4
123.04433	16.6
127.09798	12.8
129.10257	5.8
130.08598	4.2
130.12129	7.2
131.12935	31.3
133.02890	20.6
134.06053	5.8
135.04428	10.9
137.05986	9.5
140.08228	5.4
145.02876	3.7
146.03607	11.4
146.06073	6.3
147.04411	85.3
150.05493	3.8
151.03917	19.9
157.10873	35.2
158.11659	7.7
161.02336	8.2
162.05499	7.1
176.10747	4.0
178.05029	5.3
179.03400	37.7
190.08630	6.3
190.10516	5.3
204.10168	11.0
215.11810	5.2
216.10245	13.0
231.11270	4.1
232.09644	25.6
233.35251	4.2
240.62314	4.1
246.12186	4.4
250.10750	15.9
257.09793	4.0
258.12375	9.4
265.99051	3.5
268.90082	4.1
274.11801	11.1
275.14993	18.4
276.15826	64.5
281.16446	4.2
291.14594	25.2
309.11874	5.6
309.15619	100.0
309.19217	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01865	1.3
55.05310	0.4
55.05508	4.3
57.03439	2.3
57.07069	1.0
59.04999	0.5
60.59197	0.4
61.02925	0.8
61.52553	0.5
65.03929	1.3
67.05509	3.9
67.36339	0.4
69.03430	6.1
69.06723	0.5
69.07069	6.2
71.04973	1.3
71.08614	0.5
71.57609	0.5
71.57982	0.5
72.08145	0.7
76.02221	0.7
79.05492	3.3
81.03419	11.9
81.07057	7.7
82.06567	0.6
83.04971	0.6
83.08603	1.6
84.04507	0.9
84.08143	3.3
85.02902	5.4
85.06528	1.4
89.03909	0.8
91.05480	16.7
93.07046	4.0
95.04971	1.5
95.08604	4.2
97.02894	8.1
97.06537	0.9
97.10164	1.2
99.04442	1.2
99.08079	0.9
100.11245	1.0
105.07021	3.0
107.04939	1.0
107.08566	2.7
109.02885	4.5
109.06548	0.8
109.10160	2.9
111.08078	1.3
111.11718	1.0
115.05497	0.6
117.03394	2.8
117.07024	1.3
119.04946	26.5
119.08575	6.5
121.10143	2.0
123.11700	1.8
124.07551	0.6
125.09624	1.1
127.03908	2.2
128.06241	0.5
129.07079	0.8
131.08591	0.8
133.10123	1.2
135.04364	0.6
135.08070	1.0
135.11691	1.1
137.05980	0.9
137.09570	0.5
139.11133	0.7
145.02847	7.5
145.10150	1.0
147.04408	100.0
147.08017	3.4
147.11693	0.8
148.04781	1.5
149.05986	0.8
149.09644	0.7
149.13280	1.1
159.11674	0.6
163.14769	0.7
165.05443	4.3
171.08182	0.5
177.05472	11.4
178.07710	0.6
182.15408	1.8
189.06996	0.7
203.08540	0.5
206.07275	1.2
234.06718	1.5
235.07469	0.6
249.09140	1.5
251.07137	0.8
262.06232	0.7
263.21198	0.8
269.47171	0.6
273.04242	0.5
273.07645	0.5
273.18311	0.6
276.01025	0.5
277.08521	2.4
281.11630	0.9
291.08585	6.8
291.19550	0.5
291.26810	0.5
294.08911	1.0
309.11154	2.6
309.21353	0.8
309.27698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01866	0.9
55.05223	0.3
55.05502	1.6
57.03426	1.9
57.07077	0.7
65.03938	1.2
67.05494	2.3
67.35250	0.3
68.62659	0.4
69.03078	0.6
69.03431	6.5
69.07072	4.1
69.91422	0.3
71.04984	1.3
71.25688	0.4
71.57745	0.5
72.08147	0.8
73.02924	0.5
73.06499	0.4
76.02209	1.2
79.05483	2.2
81.03419	14.7
81.07056	4.7
83.04987	0.6
83.08620	1.0
84.04489	0.6
84.08139	4.3
85.02906	7.3
87.04485	0.4
91.05480	19.1
93.07049	4.8
94.06581	0.4
95.04962	1.7
95.08614	2.6
97.02882	2.9
97.06520	0.8
99.04442	1.7
105.07026	2.3
107.04977	0.6
107.08579	1.8
109.02879	7.1
109.06516	0.9
109.10159	1.7
111.04469	0.4
111.08062	0.8
111.11709	0.7
115.05514	0.4
117.03394	0.8
117.07019	1.3
119.04943	29.5
119.08581	11.2
119.09452	0.4
120.05276	0.8
121.06483	0.4
121.10151	1.2
123.04443	1.0
123.08018	0.6
123.11678	1.1
125.09661	0.4
127.03943	1.3
129.07002	0.8
135.08061	0.9
135.11728	1.0
137.06038	0.4
137.09660	0.7
139.11195	1.1
145.02847	1.4
147.04410	100.0
147.08047	6.0
147.11676	0.8
148.04778	2.0
149.06038	0.4
149.13286	0.6
161.06024	0.6
161.09740	0.5
165.05484	3.7
165.09113	0.9
177.05399	2.2
189.06961	0.6
190.07573	0.4
191.08638	0.4
193.07716	0.4
206.07239	0.8
207.06407	0.5
207.08095	0.5
217.06636	0.6
219.08063	0.4
219.86847	0.4
221.09569	0.6
234.06735	1.5
235.07510	0.6
235.13266	0.4
239.12779	0.4
248.08507	0.5
249.09193	1.5
251.07118	0.5
263.21262	0.5
265.15756	0.4
266.09534	0.7
276.07797	0.4
277.08624	2.6
281.11664	1.3
291.08621	9.2
294.08853	0.8
309.11169	3.1
309.18344	0.4
309.21704	1.3
309.28696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2217
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
54.23259	0.7
54.63968	0.6
55.01834	0.9
55.05502	0.9
56.05001	0.8
57.07066	0.8
58.37732	0.7
58.99584	1.5
67.05489	2.7
69.07061	2.2
70.04079	3.7
71.04966	0.9
71.08627	1.5
71.57668	1.3
76.02229	10.1
79.05488	2.7
81.07059	4.2
84.04504	5.0
86.40053	0.7
88.19648	0.7
91.05470	2.4
93.07043	2.1
94.04175	2.9
95.04949	2.1
95.08595	2.6
105.07021	1.4
107.04998	1.0
107.08596	1.9
109.06499	2.0
109.10151	1.1
116.01666	2.1
117.07072	1.1
119.08570	1.6
121.10168	1.6
122.03635	6.6
122.10497	0.9
130.05002	1.7
133.10153	1.2
135.08081	1.2
137.05972	100.0
138.06299	2.5
142.03165	1.0
145.02817	1.2
147.11656	0.7
162.02179	4.5
172.16956	1.6
178.05775	1.5
179.04875	4.0
184.16971	1.9
191.75877	0.8
228.82677	0.9
233.05923	1.5
276.20520	1.0
291.19604	0.9
308.23053	2.0
321.60986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01868	21.7
55.05510	40.4
57.07075	3.9
67.05501	52.3
67.25206	2.6
69.07063	20.5
70.13205	11.0
71.04976	4.0
73.80095	2.5
79.05491	62.1
81.03415	5.8
81.07056	54.6
83.04966	7.4
83.08618	18.1
91.05479	39.2
93.07041	46.2
95.04937	17.3
95.08613	29.5
96.46063	2.3
97.06528	28.0
97.10155	18.3
105.07032	46.7
107.04967	19.8
107.08598	70.5
109.06510	14.2
109.10151	17.0
111.08080	3.9
117.07009	12.4
119.08573	27.6
121.06490	6.1
121.10134	20.3
123.08061	6.8
123.11677	3.8
125.09634	27.1
131.08568	16.0
133.10127	32.0
135.08069	11.3
135.11673	13.8
137.09589	7.2
139.88309	2.7
145.10110	22.5
147.11693	17.7
149.09630	32.8
149.13249	4.4
151.11160	9.4
157.10100	6.0
159.11679	16.7
161.13301	8.6
163.11165	11.7
165.09105	6.2
165.12724	3.8
169.10089	4.3
171.11700	5.3
173.11887	2.6
173.13283	11.3
175.11082	3.4
177.12772	5.5
197.13220	4.7
203.12778	13.3
213.92455	2.9
229.19521	4.4
239.17970	11.0
247.20566	11.0
257.19025	13.8
275.20056	100.0
276.20538	5.9
289.21552	6.8
290.66068	3.0
307.22656	24.8
323.21423	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.69221	2.8
53.03935	4.4
55.01868	23.5
55.05510	36.4
57.03439	4.6
61.17261	2.9
65.03926	3.3
67.05502	48.1
69.06795	2.3
69.07070	24.8
71.04990	3.0
79.05074	3.4
79.05493	50.2
81.03390	6.8
81.06583	4.2
81.07044	45.8
82.42307	2.5
83.04980	6.6
83.08598	13.3
83.65092	3.1
85.06565	3.3
89.97657	2.6
91.05486	32.5
93.07039	36.4
95.04964	18.3
95.08616	28.1
97.06530	28.5
97.10167	14.7
98.06058	5.8
103.05489	2.9
105.07030	38.6
107.04926	11.5
107.08588	52.1
109.06493	22.9
109.10120	14.6
111.08035	3.4
115.05457	3.0
115.84852	3.2
117.07000	7.6
119.08582	24.8
121.06499	3.9
121.10152	15.5
123.08034	7.2
123.11665	4.4
125.09631	21.4
131.08582	15.5
133.10147	20.6
135.08005	7.8
135.11685	13.9
137.09604	4.8
145.10097	17.0
147.11662	9.8
149.09618	26.3
149.52907	3.5
151.11185	8.1
153.09030	4.9
157.10132	4.7
159.11674	13.3
161.13222	8.9
163.11165	11.1
165.09100	7.8
165.12785	31.7
171.11711	3.6
173.13243	9.3
175.11063	4.1
177.12642	5.3
183.11707	5.4
187.11226	5.2
203.12718	11.8
208.58804	3.1
213.16414	2.9
219.17426	5.7
228.89706	3.3
229.19473	5.9
235.63292	2.8
239.17960	6.7
247.20584	11.0
257.19058	13.8
261.22034	3.1
275.20038	100.0
276.20609	4.2
289.21521	12.0
307.22766	24.6
307.28247	30.5
310.51355	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22311	2.3
53.03954	5.6
55.01880	27.4
55.05512	38.5
57.03430	3.3
57.07058	4.6
61.83635	2.9
67.05507	48.6
69.03435	5.2
69.07068	27.9
69.94234	15.5
70.04073	4.3
71.04962	3.8
72.08143	3.7
76.02221	11.7
79.05490	61.2
81.03406	5.6
81.07056	55.3
81.24039	2.4
83.04984	10.2
83.08610	12.6
84.04527	3.8
85.06547	3.6
91.05479	43.9
93.07044	55.1
95.04961	26.3
95.08601	35.2
97.06528	24.8
97.10165	19.4
98.06056	2.7
98.21414	4.3
105.07035	51.9
107.04958	17.1
107.08587	57.2
109.06522	17.1
109.10158	23.3
111.08083	5.4
114.10258	5.8
117.03390	7.2
117.07023	13.7
119.08574	32.3
121.06503	12.8
121.10132	21.2
123.08043	9.3
123.11732	7.5
125.09622	17.5
129.06996	5.8
131.08568	25.1
131.12814	3.5
133.10141	30.4
135.08063	12.2
135.11710	11.2
137.05977	12.6
137.09622	8.1
138.06322	8.6
138.98317	3.1
141.06909	3.1
143.08537	8.5
145.02840	18.8
145.06480	4.5
145.10100	23.7
147.11673	21.7
149.09641	24.5
149.13264	5.1
151.11174	11.4
153.09128	4.2
155.08553	5.0
157.10100	8.3
159.11685	16.7
161.09660	5.0
161.13246	7.4
162.02153	3.1
163.11162	8.6
165.09142	4.1
165.12730	15.5
167.08493	3.7
168.09428	3.0
169.10039	4.5
171.11670	10.7
173.13283	8.3
177.05452	30.6
177.12796	6.6
179.08499	3.7
181.10127	6.7
183.11688	9.6
185.13309	7.1
187.11136	2.9
187.14917	6.8
192.09349	4.3
193.10187	6.8
195.11720	7.7
197.13258	5.5
203.08452	3.4
203.12726	7.8
207.11665	7.7
209.13287	4.4
219.11739	7.3
221.13210	4.5
223.14771	5.6
229.19604	3.0
233.13260	5.5
239.18022	5.8
247.20554	8.9
249.16362	12.6
251.14279	5.7
257.19003	13.6
275.20056	100.0
289.21921	4.9
307.17444	8.7
307.20303	16.4
307.22778	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87609	3.8
53.03933	9.8
55.01881	19.8
55.05500	35.6
57.03438	16.9
65.03926	6.1
67.05500	76.7
69.03415	4.7
69.07060	31.4
70.04059	4.0
70.07777	10.3
70.08186	6.7
71.04970	7.8
76.02216	14.9
79.05490	94.9
81.03392	13.3
81.06586	5.7
81.07054	91.5
83.04961	11.5
83.08612	18.5
84.04492	9.5
85.06530	7.3
91.05479	100.0
93.07038	64.2
95.04972	37.4
95.08606	45.2
97.06538	19.2
97.10145	10.7
105.07030	74.9
105.16281	3.5
107.04945	35.9
107.08582	46.2
109.06503	16.3
109.10166	21.3
111.08111	6.2
114.10274	8.4
115.05448	5.0
116.01691	3.4
117.03353	9.2
117.07031	29.3
119.08562	46.3
121.06478	14.6
121.10143	22.4
123.08060	8.5
123.11717	3.7
125.09584	9.6
129.06967	8.4
131.08546	43.5
133.06493	7.9
133.10156	22.2
135.08017	13.9
135.11690	10.5
141.07066	4.8
143.08557	7.3
145.02823	23.5
145.10126	24.3
147.08058	4.4
147.11671	14.5
149.05980	4.8
149.09578	21.6
149.13292	5.5
151.11235	5.1
153.09106	3.8
155.08519	4.8
157.10919	4.2
159.11714	18.3
161.13234	6.7
162.02147	6.8
162.07585	6.3
163.11165	15.5
169.10097	8.6
171.11713	11.2
173.13301	13.9
177.05452	41.3
179.04828	4.9
187.11177	5.5
187.14740	9.7
197.13277	6.2
203.12686	4.6
215.14330	6.8
233.15341	14.9
239.17886	7.6
247.20624	7.5
257.18967	12.2
270.59314	4.0
275.20047	51.3
289.17941	5.9
289.21490	4.0
290.15021	4.4
306.00681	3.7
307.18063	23.3
307.22696	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	307.2265
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
53.03935	5.0
55.01633	1.6
55.01873	12.4
55.05513	14.7
57.07052	1.5
57.19499	1.4
67.05172	2.3
67.05504	25.3
69.07064	15.9
69.27934	16.9
71.08603	1.6
79.05492	20.5
81.03401	4.8
81.07053	33.5
83.04946	2.3
83.08607	6.0
85.06550	2.4
86.79849	1.5
91.05479	13.5
93.07047	18.9
95.04958	15.2
95.08617	18.8
97.06531	19.4
97.10172	4.8
98.21461	2.7
99.08103	2.2
102.94144	1.6
105.07026	19.0
107.04965	14.2
107.08574	10.0
108.05760	3.4
109.06528	4.2
109.10167	6.2
111.08077	2.6
114.10242	1.8
117.03389	3.9
117.07026	6.4
119.08575	9.5
120.38327	1.7
121.03004	1.6
121.06470	7.9
121.10142	5.1
123.04468	1.5
123.08053	4.1
123.11694	2.5
125.09620	4.3
129.13925	1.4
131.08549	6.5
133.10150	7.9
135.08047	3.4
135.11685	5.7
137.09610	3.4
145.02869	6.1
145.10109	5.4
147.11665	4.9
149.09593	6.8
149.13237	3.2
151.11197	4.0
155.55302	1.8
159.11665	5.3
163.11115	2.2
165.06702	1.5
165.12761	2.9
169.10110	2.1
177.05513	15.4
177.12769	6.1
179.14325	2.5
200.41393	1.6
257.18845	2.1
275.20074	19.0
307.09573	1.9
307.17480	3.6
307.22681	100.0
308.23053	5.0
316.57443	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
54.09542	2.3
55.01873	15.2
55.05233	2.7
55.05505	45.1
56.05848	3.1
57.03418	6.1
57.07059	4.8
58.99574	3.5
65.03922	4.1
67.05173	3.9
67.05502	51.8
69.03408	4.4
69.07065	27.9
70.04063	2.8
70.10588	6.0
70.10988	4.4
71.04971	5.1
72.04504	2.3
72.08144	2.7
73.24608	2.1
76.02222	15.8
77.70997	3.1
79.05485	63.9
81.03396	6.9
81.07055	52.7
82.07408	2.8
83.04980	8.0
83.08612	15.6
84.04502	5.6
85.06531	3.6
91.05473	38.7
93.07036	44.2
95.04961	13.2
95.08607	30.2
97.06527	15.5
97.10152	21.2
98.06065	15.5
99.06406	3.6
105.07026	42.8
107.04936	20.9
107.08592	80.4
109.06516	10.6
109.10160	13.2
111.08076	4.7
112.07606	3.1
114.10276	7.6
116.01646	5.0
117.03339	4.4
117.07004	10.1
119.08564	24.5
121.02815	3.5
121.06458	5.7
121.10133	18.3
123.08054	9.8
124.53424	2.6
124.91806	2.5
125.09621	30.6
129.07008	5.7
131.08548	19.9
133.10123	20.0
133.63298	2.3
135.08034	10.9
135.11710	9.6
137.05954	5.2
137.09628	6.0
143.08556	2.9
145.02852	16.5
145.06511	3.0
145.10143	19.5
147.08118	2.5
147.11665	17.4
149.09616	30.6
149.13272	3.1
151.11224	7.5
153.09084	4.3
159.11761	11.3
161.13173	3.9
162.02238	8.2
163.11177	7.7
165.12749	2.6
169.10092	3.2
171.11687	5.1
171.62253	3.2
172.12141	2.5
173.13194	6.9
177.05438	29.1
179.04849	8.8
183.11694	4.0
185.13271	4.0
193.86140	2.9
194.11800	2.7
195.11978	5.0
201.12723	3.5
203.12778	16.2
203.14368	2.7
219.17426	9.0
229.19394	2.9
233.05956	3.2
239.17940	4.7
247.20444	3.9
251.18347	9.3
257.19049	12.8
275.20065	64.3
276.20355	3.1
289.18216	2.7
289.21585	7.9
307.17679	10.5
307.22986	15.5
307.28229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.6
55.01625	2.7
55.01871	26.4
55.05514	44.9
57.03437	2.5
57.07077	3.5
59.05010	2.1
59.50085	1.8
62.44004	2.0
65.03920	2.5
67.05502	51.8
69.03423	3.4
69.07071	21.1
70.13010	3.3
70.13409	6.7
71.04984	3.3
71.34791	1.9
79.05489	57.1
81.03429	9.2
81.07054	53.1
83.04977	8.6
83.08621	16.9
85.06557	4.1
89.51460	1.8
91.00109	1.8
91.05479	38.6
93.07043	44.9
95.04972	14.5
95.08607	25.9
96.23399	2.2
97.06536	27.6
97.10169	23.8
98.06050	2.5
105.07030	45.5
107.04946	17.2
107.08593	74.9
108.08922	2.2
109.06509	11.2
109.10150	18.9
111.08086	4.8
117.07025	16.3
119.08581	27.6
121.06534	6.7
121.10149	16.9
123.08086	6.6
123.11728	3.7
125.09624	25.7
129.07051	2.3
131.08574	20.5
133.10130	27.4
135.08070	9.9
135.11664	11.9
137.09615	4.1
139.07562	2.5
143.08583	3.7
145.10109	22.6
147.08046	2.3
147.11693	17.9
149.09624	30.5
151.11200	13.3
153.09143	5.3
155.08504	2.3
157.10162	4.1
157.12276	1.9
159.11665	12.9
161.09642	2.4
161.13316	10.4
163.11156	10.8
165.09111	3.7
165.12798	2.8
169.10219	2.2
171.11575	3.9
173.13239	9.9
177.05611	2.0
177.12743	3.5
183.11731	4.4
187.11205	4.4
187.14922	2.8
197.13252	2.3
203.12793	13.1
215.17953	3.8
229.19501	7.7
233.15268	2.6
239.17964	7.8
247.20665	9.5
257.18991	15.2
275.20059	100.0
276.20459	3.5
278.82971	2.1
289.21570	6.5
307.22687	18.9
307.28220	9.1
320.43036	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.52384	2.0
51.70033	2.0
53.03930	4.3
55.01858	6.6
55.05504	25.3
57.07069	4.2
58.99576	2.8
59.04988	7.0
60.05635	2.4
65.03941	2.0
67.05173	2.9
67.05505	36.8
68.47112	2.0
69.03434	2.3
69.07066	18.8
71.04990	16.5
71.58416	2.8
72.08141	6.3
73.06542	4.2
75.04471	3.5
76.02234	13.7
79.05493	39.8
81.07052	41.0
83.04996	5.0
83.08608	8.8
84.04496	8.5
85.02886	2.2
85.06548	3.8
87.04456	3.8
91.05473	43.8
93.07047	41.1
95.04987	15.2
95.08054	2.6
95.08609	28.0
97.06500	9.7
97.10163	5.7
98.06042	5.4
99.08069	2.1
103.05463	3.6
105.07029	55.8
107.04931	4.4
107.08595	26.0
109.06516	28.3
109.10158	14.3
111.08085	4.1
114.10313	10.6
115.05461	2.5
115.08665	3.4
117.03373	8.4
117.07019	13.5
119.08577	38.7
121.02843	5.0
121.06499	12.2
121.10143	19.9
121.10943	2.8
123.08059	14.9
123.11692	5.0
125.09562	2.8
129.06998	3.7
131.08557	20.5
131.12939	3.2
133.06496	2.3
133.10121	28.7
135.08034	12.8
135.11668	8.8
137.09613	11.7
139.11200	3.0
140.71072	1.9
141.07082	2.6
143.08583	3.2
145.02847	31.9
145.10095	20.0
147.08069	3.0
147.11705	28.0
149.06018	5.8
149.09628	11.3
149.13179	4.1
151.11179	23.0
157.10965	5.2
159.08022	2.3
159.11685	12.3
161.13269	6.3
162.02248	3.2
162.07613	10.4
163.11163	16.2
165.12749	13.1
171.11705	3.3
173.13263	7.1
177.04057	4.0
177.05484	53.9
177.12781	3.4
179.04843	2.5
179.14299	6.1
182.10999	2.4
187.11162	1.9
187.14890	2.3
197.13313	4.3
213.05424	2.3
215.14252	2.8
229.19502	5.9
233.05949	2.4
233.15433	4.4
239.18013	12.7
247.14497	3.1
247.20544	6.5
249.18561	3.0
257.19003	12.0
275.20081	58.7
289.18112	3.7
289.21573	4.4
290.15048	5.0
300.71237	2.1
301.22711	2.2
307.09818	2.5
307.17654	25.3
307.22681	100.0
308.22980	5.6
328.83459	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.5
55.01871	28.6
55.05511	53.9
57.03424	10.0
57.07077	3.9
58.99593	5.0
65.03922	3.8
67.05504	64.0
67.05835	6.3
69.03423	8.2
69.07068	29.3
69.47495	22.1
70.04072	3.9
70.78259	3.2
71.04987	12.0
72.08165	4.2
76.02221	16.8
79.05492	83.0
81.03416	16.5
81.07057	88.9
83.05003	16.9
83.08625	37.1
84.04520	10.0
85.06546	5.1
91.04974	4.6
91.05485	47.8
93.07050	64.0
95.01278	3.3
95.04975	33.5
95.08610	44.3
96.74854	3.1
97.06530	28.0
97.10172	15.9
98.06033	3.0
105.07034	52.3
107.04951	45.1
107.08589	65.8
107.53737	3.9
109.06525	26.4
109.10141	18.3
111.04446	8.0
111.08102	11.8
113.05996	5.7
114.10318	3.9
116.01691	3.7
117.03333	6.5
117.07024	20.5
119.08578	37.6
120.09702	3.2
121.02880	4.3
121.06493	26.9
121.10136	26.1
123.04454	4.0
123.08085	11.8
123.11745	6.6
125.09634	20.3
129.07019	9.0
131.08592	22.7
133.06487	6.6
133.10121	24.2
135.08044	18.7
135.11690	19.1
137.09636	10.6
141.06966	4.3
143.08572	6.5
145.02797	18.4
145.06500	8.7
145.10120	23.9
147.08043	4.3
147.11687	17.4
149.05959	3.1
149.09633	35.5
149.13278	8.2
151.07474	3.9
151.11172	10.9
155.08647	4.7
159.08116	6.4
159.11691	16.0
161.09601	7.5
161.13264	10.3
162.02205	6.2
162.07680	3.9
163.07524	21.6
163.11172	19.2
169.10107	5.9
171.10194	3.6
171.11653	6.5
173.09613	7.1
173.13277	9.9
175.11192	5.1
177.05495	26.4
177.09227	3.7
177.12766	10.0
179.04884	8.9
183.11708	5.7
187.11153	5.6
187.14821	3.4
191.14372	5.0
203.12823	8.8
207.69351	3.5
215.14514	3.8
219.13765	17.7
229.19514	9.2
233.15343	7.0
233.18935	4.5
237.14825	8.0
239.17986	7.6
243.17407	5.3
247.20599	11.4
257.18924	16.9
261.18509	5.1
275.20062	100.0
281.52081	3.4
289.17987	40.9
289.21530	9.2
307.18732	16.7
307.22696	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.0
55.01876	35.7
55.05512	59.5
56.48515	3.0
56.95794	2.5
57.03426	9.0
57.07058	4.1
58.99560	4.4
65.03934	5.4
67.05505	75.8
69.03413	10.3
69.07066	31.7
70.20394	7.1
70.20818	8.4
71.05009	14.0
76.02225	25.0
76.46951	2.7
79.05492	92.9
81.03410	22.0
81.06583	5.0
81.07053	93.8
83.04980	23.5
83.08620	44.1
84.04502	8.6
84.08102	2.8
85.06549	5.1
91.05482	60.5
93.07040	67.1
95.04964	30.4
95.08601	48.9
97.06533	34.0
97.10188	25.8
99.04471	2.7
99.08100	3.4
105.07018	53.0
107.04948	33.5
107.08591	78.4
109.06514	28.4
109.10153	24.5
111.04447	9.8
111.08100	6.8
116.01659	7.0
117.03409	4.4
117.06984	20.3
119.08568	39.6
121.06512	21.2
121.10153	28.1
123.08058	14.5
123.11682	7.3
125.09624	28.6
129.07016	7.7
131.08571	26.0
131.12865	3.6
133.06476	3.6
133.10121	34.7
135.08051	24.1
135.11668	17.6
137.09599	8.4
143.08531	5.5
145.02876	17.4
145.06451	4.0
145.10098	26.9
147.08054	5.2
147.11650	21.2
149.05940	3.4
149.09618	38.1
149.13243	6.7
151.11180	11.0
153.09109	6.2
157.10095	5.7
159.08025	5.3
159.11707	19.1
161.09592	6.6
161.13228	8.8
162.02214	7.2
162.07600	8.6
163.07547	24.1
163.11188	24.1
165.09047	7.7
165.12717	4.1
169.10101	5.5
173.09621	4.5
173.13266	8.1
175.14819	3.7
177.05458	24.2
177.08914	3.4
177.12772	6.9
179.04848	9.5
183.11723	5.4
187.11189	4.8
187.14832	4.6
189.12756	3.2
191.14236	3.8
193.12244	5.4
197.13271	5.5
203.12761	16.2
205.12151	3.3
213.16441	3.2
219.13811	9.6
229.19559	8.3
233.15379	5.2
239.17981	10.9
247.20593	12.0
257.18988	20.9
275.20068	100.0
276.20340	4.2
289.17963	26.6
289.21429	6.3
307.18152	12.7
307.22641	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	307.2054
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03947	2.9
55.01875	6.8
55.05510	15.0
57.03444	3.8
67.05499	27.5
69.07081	14.1
70.04108	3.7
71.04961	3.5
71.58421	3.1
72.08131	3.6
76.02225	8.5
77.34765	2.5
79.05492	22.6
81.05865	3.5
81.07064	28.6
83.04969	6.5
83.08604	7.7
84.04508	4.0
91.05011	3.0
91.05491	24.9
93.07025	24.7
95.04958	23.4
95.08608	18.6
97.06541	17.4
105.07018	39.1
107.04954	5.5
107.08578	17.6
107.40091	2.8
109.06528	8.4
109.10144	5.9
111.08082	5.1
112.59309	2.7
114.10296	7.2
115.05434	4.7
117.03411	8.7
117.07005	12.1
119.08557	37.2
121.06514	8.1
121.10121	10.3
121.19447	3.1
123.08056	4.3
125.09620	3.5
128.06233	10.8
129.06990	9.6
130.07797	4.7
131.08525	20.5
131.12924	3.7
133.06480	3.4
133.09137	3.5
133.10130	50.0
135.08089	5.4
135.11711	3.8
141.06967	6.5
142.07750	14.1
143.08565	35.3
144.09306	3.7
145.02846	24.9
145.10103	29.7
147.08051	9.5
147.11665	13.0
149.09630	7.7
153.06998	3.5
154.07756	7.8
155.08553	9.6
156.09338	6.6
157.10075	16.5
159.08025	4.6
159.11673	22.0
161.09628	8.2
162.02217	6.2
162.07651	3.5
163.11188	3.3
165.06973	8.0
166.07732	3.3
167.08560	10.0
168.09302	4.0
169.10141	17.5
170.10849	4.0
171.11687	13.1
173.09630	4.6
173.13268	9.2
177.05464	46.5
179.04861	5.9
179.08565	11.1
181.10114	12.5
182.10886	9.0
183.11705	12.6
185.09621	4.3
185.13277	5.0
187.11224	8.5
187.14758	3.7
191.08540	3.9
192.09406	3.6
193.10101	18.0
194.10954	5.3
195.11641	16.5
197.13246	16.1
198.13937	3.9
199.14879	4.5
201.88367	3.3
203.08762	3.1
205.10216	5.6
206.10919	10.4
207.11688	16.3
208.12500	6.2
209.13269	13.7
211.14812	10.7
215.14305	3.3
217.10133	5.2
218.10855	6.2
219.11729	4.6
220.12492	7.3
221.13229	21.1
222.13924	5.9
223.11203	3.6
223.14830	13.7
225.16310	4.9
227.14355	4.3
230.10861	4.8
231.11761	5.8
232.12415	4.7
233.13235	13.2
234.14056	8.4
235.14774	8.3
237.16400	5.7
244.12518	4.2
246.13782	3.1
247.14781	13.2
248.15530	8.2
249.16380	6.3
251.14433	10.2
251.17986	4.0
252.94160	3.4
257.19104	3.5
259.14813	9.6
260.15671	5.6
261.16046	3.7
261.18503	4.7
263.18005	24.8
265.15707	3.4
274.17160	9.0
275.20087	14.9
279.21085	9.7
289.19672	23.1
290.15033	3.5
307.17654	13.5
307.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
53.40441	1.3
54.73247	1.3
55.01873	7.1
55.05508	25.2
57.03434	12.5
58.99574	1.3
59.04997	2.0
59.80231	1.2
60.05643	2.2
67.05179	1.4
67.05506	17.0
69.03425	5.5
69.07074	10.5
69.46788	11.3
71.05008	3.0
72.04530	1.8
72.08149	3.1
72.66132	1.3
75.04469	2.7
76.02226	6.3
79.05500	14.3
81.03400	5.3
81.07056	20.1
82.16946	1.4
83.04974	4.7
83.08624	9.2
84.04501	5.4
85.02909	1.9
85.06555	3.1
91.05488	19.8
93.07050	14.7
95.04964	11.8
95.08604	12.2
97.06535	7.1
97.10175	13.1
98.06070	2.8
105.07022	10.0
107.04968	7.6
107.08604	10.5
109.06515	11.2
109.10172	9.6
111.04474	1.6
111.08083	3.0
114.10294	5.1
115.08760	1.4
117.03392	4.4
117.07040	3.6
119.08588	8.1
121.06507	100.0
121.10135	4.0
122.06852	1.9
123.04396	1.9
123.08074	3.3
123.11687	1.9
125.09637	7.3
128.06277	1.8
129.06996	1.8
131.08563	6.5
131.90468	1.3
133.10138	2.8
135.04494	1.9
135.08012	7.0
135.11703	1.5
137.09624	7.0
141.06934	1.5
144.05693	1.3
145.02870	17.2
145.10138	4.6
147.08072	6.3
147.11688	3.0
149.09642	3.0
157.10945	3.1
159.08055	31.1
159.11668	1.8
161.09636	3.3
162.02174	2.5
162.07594	8.0
163.11156	1.9
171.11761	1.6
173.09550	2.5
177.05472	29.3
177.12697	1.7
179.04871	2.1
183.11763	1.6
185.09622	4.6
187.14850	1.5
189.11220	3.0
202.83594	1.5
215.14243	3.2
233.15407	5.1
243.17480	1.7
253.15956	7.8
261.18555	2.2
271.16833	7.7
289.18018	27.8
290.15103	2.4
296.54672	1.4
307.17676	14.4
307.26254	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	307.1763
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
53.46036	0.5
60.05632	1.8
69.88644	0.5
70.98199	0.6
70.98528	0.9
71.20647	0.5
72.08157	7.4
78.00883	0.7
89.03908	6.4
89.67976	0.6
91.58562	0.5
96.22833	0.6
97.07638	2.0
98.06052	0.5
114.10294	18.0
115.08685	3.6
117.03379	22.9
131.12936	2.5
134.03606	2.0
135.04385	1.6
145.02844	71.1
149.05968	8.1
157.10863	1.3
163.03926	0.6
177.05470	100.0
185.60617	0.6
244.39645	0.5
247.14366	3.1
248.12819	4.0
265.15369	1.3
290.15033	9.4
307.17639	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	307.1902
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03938	16.3
55.01869	30.1
55.05508	95.9
57.03427	46.8
58.16095	10.1
67.05501	100.0
69.03429	18.4
69.07049	51.6
70.49655	10.8
71.58936	12.0
71.59307	15.4
76.02229	50.3
79.05496	96.5
81.03399	13.7
81.07055	98.1
83.04977	13.8
83.08611	53.0
84.04514	34.2
91.05466	77.3
93.07033	82.1
95.04969	56.5
95.08609	45.4
97.06535	25.8
97.10155	50.3
99.64203	10.4
105.07046	64.7
106.51924	13.1
107.04961	48.5
107.08595	87.5
109.06543	31.8
109.10164	44.9
110.25544	10.8
111.04458	14.0
111.08087	21.2
112.01614	11.2
114.10326	12.6
115.05495	15.0
117.03353	21.3
117.07026	34.3
119.08582	56.0
121.06502	25.9
121.10149	32.2
125.09644	55.3
129.07040	23.9
130.05025	15.4
131.08574	39.0
133.10156	32.9
135.08040	28.3
137.38536	10.4
141.08936	9.9
143.08540	19.7
144.01125	13.1
145.02850	68.7
145.10138	45.6
147.08107	11.5
147.11667	19.3
149.09668	20.5
151.07565	11.6
155.08580	15.5
157.10114	14.5
159.08087	41.1
159.11740	19.8
161.09654	12.8
162.02190	29.4
163.11264	12.1
165.12738	18.0
169.10094	22.0
171.11610	15.2
173.09618	11.6
173.13280	25.8
175.11180	13.2
177.05447	96.8
179.04994	14.7
181.82423	11.1
183.11797	24.7
189.11230	14.3
193.10146	18.1
195.11734	18.8
207.11740	13.7
209.13345	13.3
223.14743	17.5
233.13206	16.9
233.15443	23.0
239.17909	13.5
265.15930	14.1
271.16983	23.4
275.20111	41.0
289.17859	94.3
290.14917	15.4
307.09827	12.6
307.17465	24.8
307.20639	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1762
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
52.72881	0.3
60.05359	0.5
60.05646	5.6
63.02363	0.7
64.57936	0.3
70.19172	1.7
72.08157	13.5
89.03915	5.4
89.51637	0.3
91.05492	0.5
97.07648	2.3
98.06010	0.9
105.43244	0.4
114.10291	19.0
115.08694	2.3
117.03376	22.9
131.12933	5.7
134.03616	1.7
135.04376	1.4
145.02838	65.8
146.03178	0.8
149.05977	6.7
156.85954	0.4
157.10829	1.5
163.03923	0.6
177.05464	100.0
178.05766	1.7
186.05536	0.8
201.46481	0.3
204.92302	0.4
247.14445	2.7
248.12770	3.1
265.15512	1.0
275.57114	0.4
290.14960	8.1
307.17630	53.5
308.17868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	3.4
58.06598	3.4
68.05022	0.7
69.07059	0.7
70.06561	0.5
71.03740	0.7
71.20513	0.9
71.20844	0.5
72.08145	1.3
75.45446	0.5
76.02246	0.6
84.03986	0.6
84.04504	23.3
84.08139	100.0
85.08460	0.8
86.06071	6.7
86.09698	6.5
88.04015	0.9
91.21779	0.5
96.04506	0.5
114.10291	1.2
114.12827	0.6
130.06555	0.7
130.08665	1.3
141.13850	7.1
145.02863	2.1
157.07671	0.6
169.13362	9.2
177.05449	2.7
198.11263	1.7
209.62921	0.5
215.13902	30.2
243.17038	40.2
244.17471	1.1
262.11075	2.8
307.16885	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	307.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
55.05513	0.6
57.03433	1.1
60.05633	2.0
65.09316	0.5
67.05492	1.0
69.03426	1.2
69.87737	3.2
70.06570	0.6
70.73656	0.6
71.01350	0.8
72.08154	7.8
73.02898	1.0
76.02225	1.2
76.51546	0.6
79.05466	0.7
81.07038	0.9
83.04965	0.7
84.04476	1.3
84.08158	1.1
85.02907	1.0
86.09669	0.6
89.03900	3.3
91.05471	1.6
93.07006	1.3
94.06592	0.7
95.04971	1.0
95.08569	1.3
97.07645	2.2
98.06055	1.0
98.21033	1.0
105.07021	1.4
107.08588	1.2
109.06512	0.5
114.10290	15.7
115.03918	0.9
115.08707	3.9
117.03385	15.6
117.07048	0.8
119.08560	1.7
121.10149	1.0
122.06061	0.8
123.08053	0.7
130.06549	0.9
131.08583	0.6
131.12933	4.3
133.10165	0.7
134.03568	1.1
135.04402	1.5
135.08040	1.5
137.06038	0.7
140.07062	1.4
141.76892	0.5
145.02846	58.3
146.05908	0.7
147.04335	0.6
149.05988	5.4
149.09555	0.5
157.10835	1.7
160.07661	0.8
163.03925	0.9
168.06541	1.3
174.09122	1.7
175.07510	0.6
175.14888	1.1
177.05469	100.0
178.08630	8.0
184.07622	0.7
186.05524	1.6
187.14777	0.6
188.07079	1.5
198.09041	0.8
201.10214	1.6
202.08632	2.7
205.09744	1.6
206.08177	1.3
216.10201	0.8
217.09892	0.6
219.11345	1.8
220.09651	1.5
226.08607	1.2
229.09679	2.5
230.08122	2.2
243.11363	1.2
244.09753	2.6
247.10797	5.4
247.14415	2.9
248.12842	4.2
262.10837	0.7
265.11844	7.0
265.15292	1.0
271.10770	1.1
289.11819	6.8
289.17975	1.2
290.15021	9.1
292.07309	0.6
306.66974	0.9
307.12866	46.7
307.17639	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21064	21.8
71.30225	45.8
84.04482	36.6
84.08137	57.8
91.87665	26.1
99.91615	21.5
114.05514	27.4
119.01945	71.2
130.04985	40.7
131.03464	22.9
133.03473	40.0
134.46304	28.8
142.08658	26.6
173.27031	23.8
179.91867	21.6
202.89148	35.2
215.00374	31.5
244.11755	29.7
247.02930	44.8
274.35458	28.1
307.07895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96637	9.8
56.05035	12.2
58.58920	11.2
59.54585	12.8
60.04501	12.9
61.02947	12.7
63.21165	10.6
69.63312	77.3
69.63720	25.7
71.06095	30.4
84.08135	21.8
94.06541	16.3
99.05676	10.9
100.03987	20.2
113.07066	12.5
119.01910	26.9
130.04982	81.4
131.03360	14.8
142.05000	11.5
159.07675	16.7
177.05467	21.8
196.68048	13.1
245.97650	12.7
261.10754	27.1
290.08752	19.6
307.07687	100.0
310.05313	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25571	0.9
53.24999	0.9
54.03470	7.5
55.01876	1.3
55.05493	1.1
55.89724	0.9
56.04793	1.2
56.05036	14.4
56.96563	9.4
57.03416	2.8
58.05326	3.6
60.04523	12.0
60.05623	1.3
61.02932	6.2
62.55910	0.9
67.05486	1.1
68.05003	3.0
69.03421	2.5
69.04530	1.0
69.07037	0.9
70.02945	1.9
70.06586	5.5
71.01341	3.4
71.04990	1.1
71.06114	45.3
71.56945	1.5
72.04499	2.4
72.08165	4.9
73.02930	1.3
73.07681	5.0
75.04468	4.4
76.02235	1.5
82.02902	1.4
84.04505	11.5
84.08145	10.1
85.02895	7.1
86.06084	2.3
86.09703	2.9
87.10038	1.5
88.03991	14.0
88.99123	1.7
89.02382	3.7
95.06086	1.8
96.04471	2.9
97.02865	3.2
97.07650	1.8
98.06030	2.7
98.97575	6.9
99.05589	8.1
100.03374	2.0
100.03981	28.3
101.00902	1.8
102.05523	2.5
103.03943	11.2
110.07143	1.5
110.97549	2.0
113.07140	17.3
114.05492	3.1
114.10257	2.4
115.02432	1.0
115.08672	3.1
116.98599	5.6
117.03369	1.9
117.06596	6.7
118.05022	2.1
119.01907	11.4
122.07175	1.0
123.04399	1.3
124.03969	1.1
127.91535	1.0
128.98640	4.0
130.04999	100.0
131.00197	1.9
131.03398	23.9
133.03429	2.8
134.99652	3.6
136.06158	1.4
137.02927	3.7
141.06606	8.4
141.10381	1.1
142.04996	3.8
145.02760	6.3
145.04950	3.2
145.06010	1.5
146.99657	4.6
149.01210	2.1
153.00685	1.5
157.03497	1.1
157.10870	4.1
159.07649	31.0
160.06068	2.9
161.01294	1.9
161.02924	3.3
163.02686	1.3
165.00711	2.4
169.87149	1.0
175.04567	1.3
177.00717	2.2
177.02254	1.1
177.05466	12.6
178.06940	1.2
183.07574	1.2
184.06044	4.4
187.00900	1.1
187.07133	2.1
188.05524	7.7
188.97101	2.2
190.98524	2.6
196.54616	2.5
201.08748	2.0
202.07112	1.6
203.03954	1.3
206.98132	2.8
208.99664	1.3
215.00438	2.1
219.09714	11.1
230.06668	1.6
237.02852	2.3
243.09717	12.1
243.17221	1.2
247.03018	2.4
247.09085	1.7
248.07767	3.2
251.00589	1.3
253.07751	1.5
260.07870	1.5
261.10803	33.2
263.00577	1.2
265.10403	3.6
272.07590	1.7
289.04059	1.2
289.10336	4.8
290.08685	18.6
307.07574	1.3
307.11313	8.4
307.17642	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	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15364	0.3
54.29707	0.3
55.49302	0.3
58.02938	0.5
67.05501	0.7
67.23166	0.3
69.07052	1.5
70.24961	1.2
70.85818	0.3
77.19551	0.4
79.05483	0.9
81.07034	0.7
84.08112	0.3
88.95271	0.4
91.05465	0.9
93.07043	0.4
94.04195	2.8
97.06542	0.5
109.10088	0.6
120.86976	0.4
122.03645	6.7
127.60021	0.4
133.10066	0.5
135.11699	1.5
137.05969	100.0
138.06279	0.9
153.12749	1.2
170.15405	2.6
182.15494	2.0
306.20639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89751	0.1
53.03929	0.5
55.01875	1.2
55.05510	8.4
56.05021	0.4
57.03426	0.3
57.07072	0.9
65.03925	0.8
67.05502	12.5
68.05834	0.2
69.07064	8.7
69.51319	0.8
69.51723	0.5
70.06607	0.3
71.08575	0.2
72.04510	0.2
79.05489	3.9
80.05835	0.2
81.03398	0.3
81.07053	9.9
82.06592	0.4
83.04966	0.4
83.08614	2.7
85.05288	2.6
85.10177	0.2
86.06067	1.0
91.05476	2.0
92.05844	0.3
93.07032	2.5
94.07384	0.2
95.04979	1.7
95.08601	5.6
96.05283	0.4
97.06519	0.6
97.10159	1.0
98.06049	16.3
98.09651	0.2
99.06847	0.4
105.07016	1.5
107.04948	0.8
107.08564	1.5
108.08167	0.2
109.06507	0.8
109.10146	2.2
110.06848	0.3
110.09671	0.5
111.04439	0.2
111.08082	0.3
112.07601	2.7
115.67805	0.2
117.07054	0.2
119.08554	0.5
120.08094	0.2
121.06512	0.4
121.10133	0.7
121.85101	0.2
123.08036	0.2
123.11732	0.3
124.07606	0.4
124.11241	0.4
125.08380	0.4
126.09150	0.6
127.78239	0.2
131.08498	0.2
133.10106	0.6
134.09641	0.2
135.08028	0.6
135.11707	0.3
136.08369	0.6
137.05927	0.3
138.09114	0.6
140.10730	0.9
145.10130	0.5
147.07961	0.2
147.11676	0.4
149.09665	0.2
149.13239	0.2
152.10690	0.5
154.12248	0.8
161.09651	0.2
161.13385	0.2
165.12729	0.5
166.12250	0.3
168.13802	0.5
171.11937	0.2
175.11259	0.2
177.05464	0.2
180.13771	0.3
182.15445	0.5
194.15456	0.3
196.16974	0.8
208.16986	0.9
222.18593	0.8
224.20111	0.2
236.20094	0.5
274.18784	0.5
275.20099	0.5
288.04065	0.2
306.27890	100.0
307.19141	0.3
307.22607	0.4
307.28226	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.17
Annotation	Convolamine
Peak:m/z	Relative Intensity
50.97935	0.4
55.01860	0.4
55.05513	0.7
57.03436	4.3
60.05632	0.6
67.05502	0.9
69.07075	0.4
70.06586	0.4
71.01340	1.3
72.08160	1.0
76.89815	0.4
79.05451	0.5
81.03397	0.3
81.07037	0.9
85.02902	48.2
90.25895	0.3
91.05472	0.5
93.07047	0.9
94.07368	0.4
95.01324	0.5
95.04935	0.5
97.02872	0.4
98.06071	0.4
98.20760	0.6
102.20096	0.3
103.03939	0.6
105.07026	0.8
106.06565	0.4
107.08614	0.5
110.02453	0.4
113.02346	2.5
114.10271	0.5
118.06543	21.8
119.07334	0.6
120.08076	0.5
122.02717	0.5
131.03392	2.3
131.08653	0.4
131.12932	0.9
132.08075	7.6
132.09007	0.6
133.08859	3.9
134.09630	1.1
145.02818	1.3
146.09631	6.2
147.10416	0.6
157.10860	0.9
160.11188	0.7
161.11958	0.4
167.10707	0.6
176.14342	100.0
177.03192	0.6
177.05493	1.1
177.14716	3.1
190.07941	0.5
202.15939	1.5
216.13864	0.6
219.07991	0.6
235.07532	0.5
246.14841	1.0
247.07509	0.4
251.10542	0.9
262.10721	0.6
279.10056	0.5
288.15921	1.0
306.05905	2.6
306.16983	98.2
307.09723	1.3
307.17444	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	306.1698
Annotation	Convolamine
Peak:m/z	Relative Intensity
55.01874	0.4
55.05494	0.9
56.96543	0.4
57.03438	3.3
60.05633	0.5
61.68628	0.4
67.05492	1.1
68.89854	0.4
69.03416	0.5
69.07053	1.3
69.26747	4.8
71.01342	1.4
72.08153	1.8
79.05477	0.7
81.07039	1.6
85.02904	43.9
86.03219	0.5
86.09697	0.5
89.03899	0.7
91.05473	0.8
93.07058	0.9
95.01357	0.8
95.04942	0.9
95.08611	0.8
98.06039	1.2
98.21455	0.8
103.03945	0.9
105.07011	0.6
106.06544	0.4
107.08572	0.8
109.06514	0.9
109.10152	0.6
113.02343	1.6
114.10281	1.3
115.08675	0.5
117.03349	1.1
118.06544	22.5
118.67596	0.4
120.08050	0.4
121.10143	0.5
130.06543	0.4
131.03384	1.8
131.12933	1.8
132.08080	4.0
133.08856	1.8
134.09648	0.9
135.11644	0.5
144.08092	0.4
145.02832	4.5
146.09634	5.4
157.10828	1.3
159.11667	0.6
160.11209	0.8
176.14345	95.7
177.05460	5.4
177.14658	2.5
202.15955	1.2
216.13835	1.0
229.70042	0.4
246.14847	0.5
248.08995	0.6
262.28882	0.4
276.64511	0.5
288.15912	1.2
306.05783	2.2
306.16983	100.0
307.09738	0.5
307.17465	7.1
308.83887	0.4
323.08646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
55.01862	7.9
55.05507	33.1
57.03421	4.6
57.07062	16.4
57.67757	4.3
59.69543	3.5
65.03964	6.7
67.05502	64.5
69.03412	6.4
69.07069	60.0
70.31487	16.9
71.08607	6.3
74.61853	4.0
79.05495	43.8
81.06589	6.1
81.07051	90.0
82.54562	4.0
83.04977	7.5
83.08614	28.7
85.06554	6.5
91.05470	46.7
92.02553	3.4
93.07040	82.9
94.01481	4.2
95.04967	62.0
95.08603	100.0
97.06526	10.9
97.10166	17.4
98.06030	3.7
100.21909	4.8
101.21069	3.9
105.07044	57.6
107.04951	10.9
107.08589	71.9
109.06532	28.0
109.10154	48.3
111.08075	8.7
111.11713	6.9
113.06026	3.9
114.10271	4.0
117.07014	16.4
119.08575	64.1
119.67162	3.8
121.06473	13.3
121.10133	53.9
123.08059	15.7
123.11679	18.4
125.06009	6.4
125.09624	8.9
125.13264	6.4
129.06982	9.1
131.08551	31.0
133.06494	6.6
133.10118	35.0
135.08058	19.2
135.11659	23.9
137.05965	8.9
137.09610	11.9
137.13237	25.3
143.08546	11.7
145.10103	24.6
147.08034	6.9
147.11693	27.4
149.09583	15.4
149.13248	25.5
151.07484	4.4
151.11127	7.1
153.09192	7.6
155.10582	5.1
157.10089	10.8
159.11697	14.6
161.09602	7.0
161.13278	18.5
163.11154	14.9
163.14882	19.6
167.10689	5.1
168.33476	3.6
171.11688	8.0
173.13258	14.1
175.14803	42.4
177.12694	6.6
177.16360	20.0
179.10713	6.6
181.12323	4.3
185.13208	9.3
187.14854	6.3
189.16376	12.7
191.17924	7.0
194.48734	3.9
199.14873	9.4
201.16365	4.7
203.17879	7.9
205.15762	5.0
212.13239	4.0
213.16277	7.0
215.17848	5.6
217.15877	6.4
227.17972	5.1
231.17439	5.2
235.16905	19.0
237.99561	4.2
245.22629	27.7
259.24109	5.9
269.22592	23.6
273.18454	21.3
275.23627	6.0
287.23633	45.7
305.05637	6.5
305.21078	42.7
305.24664	24.0
306.27856	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	305.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42329	3.1
53.03951	9.7
53.77298	2.9
55.01873	26.8
55.05508	47.4
56.96563	5.7
57.03431	13.7
57.07057	5.3
59.05019	4.9
65.03922	6.0
67.05505	64.1
69.03423	10.3
69.07068	21.5
71.03797	7.5
71.04996	7.4
71.10324	2.9
73.06530	3.4
79.05489	87.8
81.03423	7.8
81.07054	100.0
81.07531	7.1
83.04989	6.7
83.08635	18.3
85.06539	5.6
88.07626	14.9
89.07934	5.1
91.05473	67.7
91.06019	5.1
93.07047	55.4
95.04969	33.6
95.08604	31.8
97.06524	5.9
97.10182	16.3
105.03392	4.6
105.07033	44.1
107.04951	33.8
107.08600	40.5
109.06511	56.0
109.10166	15.4
111.08071	5.9
115.05445	6.7
117.07028	38.4
119.04931	5.0
119.08562	57.0
121.06503	31.1
121.10140	19.6
123.04462	5.8
123.08078	10.4
123.11701	3.2
125.09603	22.9
128.06230	7.6
129.07004	20.2
131.08549	44.5
133.06502	12.4
133.10112	15.2
135.08047	71.8
135.11684	11.2
137.05980	41.2
137.09607	7.6
142.07797	4.8
143.08539	15.9
145.02843	6.6
145.10097	31.6
147.08035	34.8
147.11707	6.6
149.09598	23.0
157.10129	18.5
159.08066	10.5
159.11717	14.4
161.09616	21.7
161.13249	3.7
163.11154	17.4
171.11728	11.5
173.09619	4.9
173.13286	4.6
175.11205	17.0
177.05569	6.2
177.12698	4.3
185.13287	5.3
189.12764	3.8
195.11763	7.0
199.14751	4.7
203.12724	6.4
217.15857	11.8
227.17990	6.1
231.13806	4.6
245.19096	6.2
255.17410	13.8
257.26672	13.6
263.16415	8.7
273.18503	48.9
287.20450	3.5
289.34055	3.3
305.05496	24.4
305.21082	99.6
305.28909	33.2
306.21356	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	304.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85931	0.7
52.64363	0.8
52.69439	0.9
53.03936	1.7
55.01863	1.7
55.05488	0.8
56.05038	12.3
56.96567	7.8
57.03423	4.6
58.06601	7.3
60.05639	2.3
61.02919	5.0
67.05479	1.2
68.05020	4.3
69.03428	5.8
69.76720	5.8
70.06589	23.7
71.04971	1.8
72.08157	6.6
73.02906	4.6
74.02437	1.0
74.06075	2.7
79.05510	1.7
81.03405	3.5
81.07066	0.9
82.06566	1.9
83.00751	1.1
84.04520	4.3
84.08139	5.3
84.96021	1.4
85.02905	7.6
85.06593	0.8
85.07661	4.6
86.03686	1.4
86.06065	18.4
86.09708	6.8
87.04475	1.2
88.04002	6.5
91.05466	3.8
93.07037	6.1
94.06540	1.3
95.04922	1.0
95.06100	1.1
95.08591	3.2
96.08122	1.2
97.02877	2.9
98.06060	1.8
98.09672	1.8
98.97569	7.9
99.04496	1.1
100.03976	5.1
100.07638	1.1
102.05533	7.7
105.07044	1.3
107.08567	1.7
108.15803	0.9
109.02874	2.0
110.06049	0.8
110.97559	1.2
112.08727	1.6
113.07124	1.0
114.05528	54.9
114.09153	1.0
116.07086	2.5
116.98623	5.4
118.01181	0.8
119.01861	5.4
119.08559	6.8
121.10146	1.8
122.02696	0.8
122.05975	1.3
123.22950	0.9
124.07582	6.0
127.03922	4.4
127.08651	1.5
128.02309	2.6
128.07079	3.3
128.52480	1.2
128.98573	2.5
129.06621	5.5
129.10229	1.6
130.05017	1.7
131.01886	1.2
134.02760	0.8
134.99644	2.9
135.08083	2.0
137.09505	1.1
139.08635	2.4
140.07086	1.1
141.10220	11.6
142.08647	8.3
143.01923	1.0
143.08061	1.0
143.11865	1.1
145.03426	1.1
145.09735	2.5
146.99649	3.4
147.08061	2.8
157.09708	5.8
157.13379	0.9
158.09244	1.4
161.01183	2.1
161.02878	1.8
162.01744	1.0
165.00713	1.8
165.09113	2.9
168.06650	1.1
168.11311	3.2
169.03174	0.9
169.09756	1.3
171.11444	0.9
173.02901	0.9
175.11929	2.6
177.00719	2.6
183.11299	1.3
183.52544	1.1
185.09212	100.0
186.07639	10.9
186.09373	1.5
187.14389	1.5
188.97089	1.3
189.00777	1.3
190.01149	0.9
190.23473	1.0
190.98669	1.2
191.02303	1.1
191.03889	1.1
193.00208	1.5
196.10831	3.0
198.04683	2.1
201.00792	1.7
201.12349	1.5
202.98709	1.3
203.04002	1.2
203.10298	4.0
205.00195	1.3
206.57207	1.2
207.03462	1.0
207.05232	3.6
207.06996	1.5
213.03302	1.0
213.53598	1.0
214.11823	2.3
215.10345	1.8
216.05760	3.7
219.01904	1.2
240.13416	5.0
245.04863	1.1
251.04398	1.0
258.14670	1.9
263.00568	1.0
268.12949	2.8
269.05472	1.4
286.11255	1.6
286.13947	37.5
287.06384	1.1
287.12390	2.1
288.86859	0.9
304.05194	2.6
304.08023	2.5
304.15338	4.2
304.17859	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59044	1.9
53.03939	3.3
55.01875	11.0
55.05495	4.4
56.05003	2.0
57.03417	3.3
58.99155	2.0
58.99567	8.5
65.03941	2.8
66.00620	1.7
66.48568	2.0
67.05490	7.4
67.62537	1.7
68.05013	2.3
69.03423	3.2
69.07038	3.6
69.69884	5.8
69.70304	7.9
70.06608	12.6
71.05000	3.3
72.08158	4.7
73.02926	2.8
76.02231	3.3
76.49493	1.7
78.40480	1.9
79.05499	12.0
81.07045	7.9
83.43639	1.8
84.08115	2.6
84.62271	1.7
85.01087	4.9
86.09706	4.9
88.02193	5.0
88.03997	26.1
91.05481	51.7
92.05804	2.8
93.07040	100.0
93.07635	5.1
95.04971	10.4
95.05478	2.3
95.08613	9.5
97.01082	3.5
99.02660	2.5
99.87075	2.0
103.05421	3.7
105.07026	17.8
107.08605	10.8
109.06524	3.0
109.10088	2.9
111.02649	3.2
111.08078	19.9
115.05467	3.2
117.07014	24.8
119.04931	6.8
119.08583	75.9
120.05287	5.3
120.08118	16.4
121.06495	2.9
121.10123	13.3
122.02705	5.9
123.02653	2.8
123.04417	4.8
123.08028	2.6
124.07650	3.0
125.04191	5.5
129.06955	4.1
130.03194	2.4
130.06502	2.8
131.08539	4.7
133.06490	5.9
135.08063	11.8
135.84691	2.1
137.09567	7.3
139.03905	2.8
147.04411	22.8
147.08046	38.0
148.04756	22.4
151.05765	43.9
151.07619	2.2
153.07275	3.8
153.09113	5.7
162.05502	3.6
163.05823	5.8
165.09131	23.1
169.06778	3.4
179.05240	38.0
185.09291	3.2
197.06326	15.3
215.07361	71.7
258.11624	3.2
268.10031	23.0
286.11044	7.5
287.09555	3.9
304.05350	15.0
304.08804	5.0
304.11966	15.1
305.12393	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	304.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42427	1.6
53.03944	4.5
53.68155	1.5
55.01873	12.0
55.05509	4.8
56.05035	3.6
57.98034	2.0
58.99587	3.1
62.40160	1.7
67.05508	12.8
69.03429	13.2
69.07080	3.0
70.02966	3.0
70.06577	5.5
70.18553	3.6
70.18955	2.8
71.01396	2.1
72.08135	2.3
73.02917	20.2
74.00659	3.7
74.06075	7.7
76.02227	5.4
77.03881	1.8
79.05493	22.9
81.03398	2.7
81.07058	20.7
84.04517	3.8
84.08140	3.3
86.00690	2.1
86.06051	3.8
86.09702	27.0
87.04510	2.9
88.02232	3.0
88.03992	46.8
91.05485	62.6
93.07046	96.6
94.07412	1.7
95.04458	1.7
95.04976	12.3
95.08610	33.1
98.06064	3.5
99.02674	1.7
102.05555	2.4
103.05483	3.5
104.06183	1.7
105.00092	10.4
105.07037	18.9
107.04968	7.0
107.08588	22.1
108.08122	2.2
109.06512	4.6
109.10169	7.1
110.07163	2.3
110.09697	4.0
114.05518	6.1
115.03939	4.9
117.07034	12.9
119.08588	100.0
120.01173	4.6
120.08927	3.1
121.10151	28.4
122.02724	11.9
123.04420	3.8
123.08080	4.7
124.07596	1.6
125.04215	5.1
127.05775	4.7
128.06229	2.1
129.07053	3.7
135.08069	18.9
137.09625	11.0
142.08633	3.2
147.08055	38.3
151.05782	4.7
153.09097	9.9
157.13402	6.9
165.09116	44.4
168.08508	1.7
181.06772	3.6
183.10196	6.2
185.09276	9.9
187.14455	5.2
191.10225	2.3
197.06357	3.4
199.07887	7.4
204.06303	1.5
214.08881	3.5
215.13930	2.5
217.08913	3.2
225.02827	1.8
240.10483	2.1
286.11072	10.5
286.13824	3.0
287.09384	2.5
304.05365	3.1
304.12268	7.7
304.17609	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	303.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	2.4
53.03944	5.5
55.01870	4.5
55.05516	34.7
56.92951	2.7
56.96558	7.5
57.03431	6.6
59.73163	2.7
65.03934	5.1
68.99792	5.5
69.03430	46.9
69.07047	2.5
71.05000	4.3
71.58047	3.6
72.08147	8.4
73.06553	69.8
78.88329	2.9
79.05498	5.6
81.03423	23.1
81.07068	6.0
84.08144	10.3
85.02906	17.7
86.09712	5.4
88.02232	4.9
91.05491	3.4
95.04974	6.8
97.02893	13.1
99.04459	15.8
101.06020	49.7
101.06679	3.5
105.03411	3.2
107.04959	18.3
107.08607	3.3
109.02905	5.0
110.07182	3.6
111.04468	9.3
116.98660	3.2
119.08545	3.5
123.04412	14.8
127.03926	11.7
129.01814	2.7
133.02853	10.7
135.04422	100.0
137.02361	6.6
137.06030	3.4
138.03128	4.5
139.03923	13.6
141.05486	3.0
141.07027	4.0
143.03423	16.6
143.04376	2.5
145.04953	3.2
147.04414	7.5
149.06009	3.7
150.03116	7.3
151.03873	7.6
153.01874	5.3
153.05510	10.3
161.70625	2.8
162.05615	3.0
163.03903	77.4
165.05504	25.0
165.06799	3.7
167.07068	6.1
169.06522	10.1
181.06396	3.5
191.28258	3.0
192.03313	5.6
193.04930	24.9
197.05954	16.6
199.09746	3.4
206.08331	5.2
207.04510	3.3
213.03865	4.2
215.07028	4.1
224.09451	3.3
225.05524	5.6
229.05052	6.3
231.05020	6.2
239.11829	7.8
243.06505	3.1
253.04997	20.2
261.05600	10.0
267.11273	15.1
270.05460	3.4
275.09155	10.9
279.06552	7.5
285.07300	23.3
285.12460	12.5
285.23209	3.3
303.05002	28.7
303.08664	10.5
303.13806	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	303.0862
Annotation	Lespedol D
Peak:m/z	Relative Intensity
53.03942	2.9
55.05509	14.4
56.05041	2.3
56.96555	15.8
65.03922	2.8
68.99796	2.6
69.03437	19.1
69.37630	2.2
70.06591	6.2
71.04967	2.7
71.46519	3.5
72.08159	5.9
72.93797	2.2
73.06554	24.6
79.05489	3.6
81.03420	10.2
83.81360	1.9
84.04504	3.7
84.08140	10.1
85.02905	8.1
86.09697	7.8
87.10040	3.2
88.04001	2.8
89.03945	5.5
91.05456	3.3
93.03442	2.7
95.04946	4.2
97.02892	8.1
98.97578	2.0
99.04456	5.3
101.06009	25.8
104.87000	1.9
107.04945	17.0
109.02888	6.1
110.07154	6.0
111.04417	11.0
115.05459	3.3
116.98611	4.4
117.03367	2.4
119.04945	4.3
121.02837	3.1
123.04407	14.1
127.03924	5.6
129.10251	3.3
130.06548	2.2
130.58319	1.9
133.02858	9.8
135.04414	100.0
137.02339	4.1
137.05991	2.6
139.03920	11.5
141.05463	3.5
141.06979	2.5
143.03418	6.8
147.04395	8.1
150.03131	4.3
151.03888	11.9
153.01833	5.8
153.05469	10.3
163.03911	92.8
165.01869	3.1
165.05478	27.9
167.07042	2.5
169.06477	8.3
173.05956	3.0
175.11948	2.1
192.03297	11.7
193.04953	26.2
196.05276	3.2
197.06027	10.9
201.05464	3.0
206.04936	2.4
206.08511	3.4
207.04401	4.1
211.07596	4.4
211.12399	3.0
214.06285	2.4
215.04980	3.7
215.06992	4.8
225.05431	5.4
229.04942	5.2
231.05008	2.4
233.05956	6.0
235.07613	2.9
239.06917	3.6
239.11749	4.8
242.05821	2.7
243.06607	3.7
252.03757	2.3
253.04916	30.6
257.04385	2.4
261.05460	15.0
267.11337	5.7
270.05341	4.1
275.09183	8.2
279.06470	18.3
284.07001	3.1
285.07446	23.4
285.12347	9.9
303.05032	52.9
303.08554	9.9
303.14087	6.2
317.44058	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.086
Annotation	5,2',3'-Trihydroxy-7-methoxyflavanone
Peak:m/z	Relative Intensity
52.88868	0.3
53.03926	0.4
53.96281	0.3
55.01872	0.5
55.05490	0.6
62.05595	0.4
62.34486	0.3
65.03920	1.1
67.01851	0.6
67.05492	1.0
68.99780	3.3
69.03427	1.1
69.07056	0.5
72.13763	0.4
79.05476	1.3
81.03421	1.0
81.07035	1.5
83.04966	0.9
87.92270	0.3
89.03908	4.8
91.05463	1.5
93.03391	1.2
93.07030	1.0
95.04959	1.5
95.08596	1.7
96.86247	0.3
97.02871	0.5
103.05450	0.5
105.03408	0.4
105.07014	1.3
106.00482	0.7
107.01305	1.0
107.04939	1.7
107.08550	0.8
108.69662	0.4
109.02869	1.4
109.06496	0.4
109.10167	0.7
111.00811	2.1
111.04453	1.0
115.05421	0.5
117.03384	4.5
117.06999	0.9
119.04925	0.5
119.08559	1.0
121.02858	3.3
121.06483	0.4
121.10131	0.9
123.04430	1.4
124.01563	2.9
127.03933	0.8
131.04932	0.9
133.02797	0.6
133.10106	0.8
135.04416	10.9
135.11691	0.4
136.05159	1.3
137.02325	9.5
137.03311	0.5
139.03889	1.7
141.06985	0.4
145.02835	6.5
145.06454	1.1
145.10127	0.6
147.04379	0.6
147.11751	0.7
149.02322	1.1
151.03955	0.5
151.07523	0.9
152.01035	19.3
153.01816	13.0
153.05507	0.4
153.06905	0.4
155.04909	1.1
161.06000	1.3
163.03903	26.9
165.01823	4.0
165.06978	0.9
166.02573	0.5
167.03398	48.8
168.05721	0.4
169.06474	0.6
170.02095	16.5
173.05965	2.4
173.13243	0.4
174.09091	0.4
175.11076	0.5
177.05507	0.9
178.02586	1.5
179.03339	0.4
181.06371	0.5
183.02863	1.6
183.04326	0.8
183.08063	0.9
187.03874	1.0
191.03391	0.5
193.04912	2.3
197.05948	1.9
201.05455	5.6
205.04861	0.5
211.03889	0.5
211.07552	1.6
213.05490	0.7
218.08192	0.6
219.06421	0.8
225.05492	1.3
228.04156	0.5
229.04941	11.2
229.54646	0.5
238.25389	0.4
239.03519	0.6
239.07031	0.9
242.05618	0.6
243.11005	0.5
247.06036	1.4
253.04964	2.5
257.04428	5.3
257.08212	0.7
270.05310	0.5
271.06116	0.9
271.09592	0.7
274.04584	1.7
275.05542	0.6
285.03967	3.0
285.07593	4.5
285.22296	0.5
288.06329	1.4
303.04993	100.0
303.08621	35.0
303.23288	1.7
304.05316	4.4
304.09055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74502	2.8
51.78054	3.0
53.03939	4.5
54.95919	2.8
55.01867	12.7
56.05019	6.3
56.96562	50.9
57.03434	30.0
61.02925	63.1
69.03081	4.6
69.03426	55.9
70.03740	3.2
70.06586	19.2
70.79973	9.7
70.98129	6.6
71.01353	4.6
71.04994	6.2
72.08150	12.9
73.02917	32.9
74.97613	2.8
81.03421	21.2
83.01376	2.7
83.06095	3.2
84.04508	5.8
84.08140	32.5
84.96017	4.2
85.02901	95.2
86.09704	5.5
87.04456	7.0
88.99176	4.0
91.03948	3.8
91.05441	2.8
96.01550	3.0
97.02883	41.1
98.06049	3.1
98.97580	100.0
99.04450	11.3
104.01308	5.7
107.01815	4.3
109.02867	15.0
110.01289	13.5
110.97559	13.9
113.02394	5.1
114.05515	6.6
115.03979	2.8
116.98620	59.1
119.01813	33.9
122.01279	3.1
123.04421	10.0
124.95504	6.3
125.01801	7.2
127.03917	33.7
128.02310	48.8
128.04306	3.0
128.98608	25.0
129.10255	18.4
131.00203	3.6
131.01837	8.8
134.99655	20.6
135.03110	3.8
137.02866	17.9
139.01424	4.1
139.03917	3.9
140.02263	5.1
141.01212	2.9
141.06546	6.3
142.96542	6.6
143.00165	3.1
145.03476	3.9
145.04932	10.2
146.02303	9.4
146.99637	25.8
147.04407	4.5
149.01225	4.1
149.02879	4.0
150.01799	3.7
151.03885	17.5
153.01802	4.2
155.00145	5.6
155.02873	6.3
158.99692	17.3
159.01013	3.1
160.97612	7.0
161.01228	8.7
161.02904	10.2
162.01808	13.5
162.99187	3.5
165.00748	15.1
168.01846	3.2
169.02571	6.7
170.03212	3.4
170.96011	5.7
170.99654	11.5
171.02330	4.7
174.99149	10.0
177.00722	20.4
177.02348	15.8
178.03076	7.4
182.03333	9.0
183.02350	21.9
183.52556	7.2
184.97609	9.8
185.09203	11.5
186.02924	3.2
186.99127	6.8
188.97032	16.3
189.00691	31.0
190.98660	7.3
191.02338	4.5
191.03799	15.1
192.02856	20.3
193.00206	24.9
195.01999	4.4
200.04436	13.8
201.00737	11.2
202.98694	16.0
204.02794	24.5
204.53006	4.6
205.00226	11.1
206.06955	4.0
206.98175	12.2
207.01807	12.9
209.04948	5.1
213.03383	65.9
213.53549	6.3
214.98599	5.4
217.00253	9.4
219.01659	19.8
220.99686	6.0
222.03885	21.1
222.54044	3.6
223.01161	5.6
224.54196	6.0
229.04918	6.2
230.98187	19.5
232.99715	6.6
233.54791	5.8
235.01363	6.4
235.06651	4.0
237.02835	10.9
244.99681	4.6
247.01268	8.7
248.99234	7.2
260.99277	3.7
261.02948	4.8
263.00729	18.5
275.00671	8.8
281.01901	8.3
291.00269	3.4
293.01862	4.4
303.05060	35.5
303.08432	6.4
303.17831	6.7
305.01736	9.7
323.02679	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	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.01866	1.0
57.62445	0.2
65.03923	0.8
65.60830	0.2
67.01853	0.6
67.05496	0.5
68.99785	3.3
69.03413	0.5
69.98116	0.2
70.06598	1.1
71.01357	0.2
71.04243	0.2
71.04563	0.4
72.08150	0.5
73.08468	0.2
81.03410	1.4
81.07040	0.3
84.08130	0.8
85.02894	0.4
86.09208	0.2
86.09702	2.2
87.10036	0.6
91.05456	1.1
93.03383	0.6
93.07024	0.2
95.04958	1.2
96.40837	0.2
97.02868	0.3
98.97601	0.2
101.07117	0.2
103.05437	0.3
105.03394	0.6
105.07040	0.3
107.04950	0.6
107.08493	0.2
109.02866	1.5
110.03659	0.2
110.07156	0.4
111.00801	2.3
111.04428	0.4
115.05432	0.3
117.07011	0.6
119.04929	1.9
120.08071	0.4
121.02862	3.2
123.04423	3.7
124.45126	0.2
127.03912	1.7
129.07034	0.3
131.04916	0.9
132.08127	0.2
133.02896	0.2
133.06506	0.3
135.04442	1.1
137.02336	11.7
137.03380	0.8
137.05962	0.5
139.03862	1.4
141.06969	0.2
143.04921	0.6
145.02855	0.2
145.06500	1.4
147.04402	5.3
149.02322	1.3
149.05922	0.2
151.03893	5.1
151.07532	0.3
153.01817	12.2
153.05435	0.4
154.02142	0.2
155.04907	1.8
155.06047	0.4
157.06421	0.3
157.13359	0.7
158.13715	0.4
159.04385	0.3
161.05991	1.1
163.03894	2.2
165.01828	4.6
165.05453	0.8
166.02579	0.7
171.02878	0.6
171.04303	0.3
173.02443	0.2
173.05981	2.1
175.03908	0.2
176.04875	0.2
177.01851	0.3
177.05493	0.5
179.03383	0.7
181.04912	0.5
183.02869	1.6
183.04410	1.5
183.07976	0.2
185.05919	0.2
187.03798	1.1
191.03374	0.5
193.05006	0.4
195.02864	0.6
197.05995	0.3
200.04665	0.2
201.05458	5.5
205.04955	0.6
207.02841	0.3
211.03979	0.5
213.05511	0.3
217.04977	0.2
217.08751	0.2
219.02931	0.3
219.06573	0.6
228.04216	0.8
229.04955	11.3
230.05309	0.3
232.03577	0.3
239.03430	0.5
243.02762	0.3
245.04497	0.3
246.05025	0.2
247.06021	1.5
256.03473	0.2
257.04422	5.9
258.04919	0.4
271.09763	0.2
274.04681	1.2
275.05518	0.4
285.03934	3.0
285.12097	0.2
286.04617	0.3
302.03918	0.3
303.04974	100.0
304.05264	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51949	0.2
51.70456	0.2
53.03925	0.2
55.01859	0.4
64.85875	0.2
65.03918	0.6
67.01864	0.3
68.99439	0.2
68.99789	3.3
69.03407	0.2
81.03410	1.1
91.05474	0.2
93.03398	0.8
94.39478	0.2
95.04932	1.1
107.04957	0.3
109.02872	1.4
110.37888	0.2
111.00803	2.2
111.04394	0.2
115.05452	0.2
117.06991	0.6
121.02876	2.6
123.04444	1.0
127.03909	0.5
131.04945	0.6
132.41353	0.2
133.02863	0.2
133.06506	0.3
135.04405	0.5
137.02335	9.0
137.03387	0.5
145.02847	0.3
145.06432	0.9
149.02348	0.9
151.03917	0.2
153.01825	12.7
155.04910	1.2
155.06003	0.3
157.06523	0.2
159.04469	0.3
161.05928	0.9
163.03896	1.7
165.01823	4.5
166.02606	0.6
173.05962	1.6
177.01854	0.3
179.03334	0.4
183.02885	1.7
183.04431	1.1
187.03934	1.4
191.03354	0.3
191.07184	0.2
195.02892	0.5
200.04628	0.2
201.05455	5.1
205.04907	0.6
211.03845	0.3
215.70392	0.2
219.02837	0.3
219.06467	0.6
228.04170	0.8
229.04939	9.8
230.05356	0.4
239.03468	0.5
245.04538	0.3
246.05255	0.3
247.06078	1.4
257.04449	5.9
258.04803	0.3
271.07932	0.2
274.04736	1.6
275.05408	0.4
285.03928	2.7
303.04974	100.0
304.05316	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.02389	0.2
53.03942	0.2
53.36042	0.1
55.01873	0.6
65.03931	1.0
66.15921	0.1
67.01846	0.5
67.05485	0.6
68.99437	0.3
68.99787	3.4
69.03419	0.5
69.52742	0.4
69.53168	0.8
69.77676	0.1
70.06593	0.3
70.95882	0.2
71.01360	0.2
72.08152	0.7
73.08492	0.2
79.01827	0.2
79.05479	0.3
81.03416	1.0
81.07043	0.2
85.02891	0.3
89.03943	0.1
91.05463	0.5
93.03410	0.8
94.37214	0.1
95.04964	1.6
96.73522	0.1
97.02882	0.5
103.05448	0.3
105.03392	0.5
105.07023	0.2
107.04956	0.4
109.02882	1.7
110.03688	0.2
110.07164	0.2
111.00801	2.7
111.04430	0.3
111.20708	0.2
115.05447	0.5
117.07012	0.7
119.04962	0.8
121.02870	2.8
123.04434	2.8
126.03086	0.2
127.03925	1.3
128.06200	0.2
129.07008	0.1
131.04926	0.7
133.02806	0.4
133.06493	0.2
135.04387	1.0
137.02339	11.2
137.03372	0.5
137.05940	0.2
139.03897	0.9
139.05479	0.2
143.11707	0.2
145.02878	0.3
145.06471	1.2
147.04417	1.5
149.02336	1.2
151.02744	0.1
151.03886	3.2
153.01828	13.1
155.04903	1.8
155.06041	0.2
157.06541	0.2
159.04437	0.2
161.05965	1.3
163.03938	1.6
165.01830	3.9
165.05469	0.4
166.02597	0.8
167.03384	0.2
171.02876	0.4
171.04259	0.2
173.05975	2.3
177.01839	0.3
177.05453	0.6
179.03412	0.7
181.04936	0.3
182.53761	0.1
183.02878	1.8
183.04437	1.4
183.08174	0.2
184.05138	0.2
187.03915	1.3
189.05409	0.2
191.03375	0.4
191.07085	0.3
193.04996	0.3
195.02980	0.8
200.04707	0.4
201.05467	5.5
205.04924	0.7
207.02950	0.2
207.06564	0.3
211.03915	0.4
213.05515	0.2
213.88535	0.1
215.03413	0.3
217.04881	0.2
219.02866	0.4
219.06569	0.5
228.04210	0.9
229.04962	11.6
230.05397	0.3
232.03732	0.2
233.04515	0.3
239.03423	0.5
245.04466	0.2
246.05269	0.2
247.06046	1.5
257.04453	5.9
258.05048	0.4
274.04785	1.5
275.05316	0.4
285.03922	3.0
285.12366	0.2
286.04474	0.2
303.04990	100.0
304.05292	3.3
304.08652	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03952	0.2
54.29835	0.1
55.01878	0.3
60.11807	0.2
65.03931	0.7
67.01857	0.5
67.05489	0.2
68.99784	3.1
69.03412	0.3
71.01346	0.2
77.80977	0.2
81.03403	1.0
82.24393	0.2
88.18372	0.1
93.03391	0.6
95.04977	0.9
98.20810	0.6
98.21501	0.5
103.05441	0.3
105.03371	0.3
107.04917	0.2
109.02882	1.3
111.00806	1.7
111.04447	0.2
112.61252	0.2
115.05454	0.5
117.07027	0.5
119.04937	0.2
121.02862	2.3
123.04433	0.7
127.03895	0.6
131.04877	0.7
135.04393	0.7
137.02339	8.2
137.03357	0.5
145.02827	0.2
145.06473	1.1
149.02330	0.7
153.01825	11.4
155.04938	1.5
155.06068	0.3
157.06476	0.3
159.04413	0.3
161.06001	0.6
163.03912	1.5
165.01831	3.7
166.02573	0.6
171.02928	0.2
173.05992	2.0
177.01778	0.4
177.05499	0.3
179.03442	0.2
183.02864	1.7
183.04431	1.3
185.06026	0.2
187.03902	1.0
191.03368	0.5
191.07062	0.3
195.02913	0.5
201.05460	5.2
205.04915	0.6
207.02975	0.3
211.03902	0.4
213.05492	0.2
215.03212	0.2
219.06482	0.6
228.04134	0.6
229.04958	10.3
239.03447	0.4
245.04294	0.2
247.06050	1.4
257.04449	5.0
260.11081	0.2
274.04709	1.5
275.05301	0.2
285.03900	1.9
303.04974	100.0
304.05286	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01865	0.3
61.60993	0.2
64.06143	0.2
64.53445	0.2
65.03918	0.8
67.01853	0.5
67.05489	0.3
68.99786	2.8
69.37663	2.3
69.60149	0.2
81.03399	0.8
85.03363	0.2
87.13635	0.2
91.05388	0.2
93.03393	0.6
95.04951	0.9
98.20782	0.5
103.05434	0.3
105.03387	0.3
109.02866	1.2
111.00790	2.4
115.05398	0.3
117.07003	0.4
121.02852	2.6
121.56786	0.3
123.04412	0.7
127.03905	0.7
131.04871	0.5
135.04407	0.6
137.02332	7.6
137.03403	0.5
145.02802	0.3
145.06456	0.7
149.02356	0.6
153.01813	11.3
155.04904	1.5
161.05957	0.8
163.03899	1.2
165.01817	3.8
166.02580	0.7
171.02905	0.3
173.05966	1.5
179.03366	0.3
182.62450	0.2
183.02869	1.6
183.04425	1.0
187.03920	1.3
195.02914	0.3
201.05440	4.4
205.05025	0.5
211.03870	0.7
215.03134	0.3
219.06523	0.5
228.04164	0.6
229.04941	10.4
239.03459	0.4
245.04425	0.3
247.06001	1.8
257.04443	5.9
274.04678	1.6
275.05472	0.3
285.03903	2.1
303.04965	100.0
304.05154	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01870	0.4
56.09875	0.3
57.11407	0.2
65.03928	0.7
67.01857	0.8
67.05511	0.5
68.99789	3.8
69.03412	0.4
69.31673	2.9
71.01365	0.3
81.03419	1.4
89.39964	0.3
93.03395	1.0
95.04961	1.2
105.03385	0.6
107.04980	0.3
109.02896	1.7
111.00806	2.6
115.05437	0.6
117.06987	0.5
121.02852	3.2
123.04402	0.8
127.03902	0.9
131.04951	0.8
133.06488	0.3
135.04401	0.7
137.02341	10.8
137.03352	0.5
138.02745	0.3
145.06483	1.4
149.02350	1.1
153.01825	15.1
155.04907	1.7
159.04416	0.3
161.05954	1.0
163.03934	1.6
163.07426	0.2
165.01840	4.4
166.02527	0.9
173.05995	2.3
177.01765	0.5
177.05505	0.3
179.03297	0.5
183.02870	1.6
183.04408	1.8
184.05060	0.3
185.05971	0.3
187.03854	1.2
191.03384	0.4
195.02884	0.8
201.05460	5.7
205.04921	0.3
207.02933	0.5
211.03906	0.6
213.05334	0.3
218.64055	0.3
219.02945	0.4
219.06467	0.6
228.04204	0.9
229.04958	11.8
230.05328	0.4
239.03552	0.4
245.04292	0.2
247.06044	1.7
257.04453	6.3
258.04913	0.4
274.04626	1.7
275.05374	0.5
285.03922	3.0
303.04984	100.0
304.05353	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12906	0.2
53.48998	0.2
54.56426	0.2
55.01874	0.6
63.28462	0.2
65.03925	0.7
67.01853	0.3
68.99789	1.9
70.06960	0.4
70.07365	1.0
72.78317	0.2
81.03407	0.8
93.03419	0.7
95.04977	0.6
98.21493	0.3
102.97235	0.2
107.01319	0.2
107.04895	0.2
109.02884	1.0
111.00805	1.8
111.04341	0.3
115.05405	0.3
117.07050	0.4
121.02851	2.4
123.04424	0.9
127.03909	0.5
131.04892	0.3
135.04405	0.6
137.02345	7.7
137.03401	0.6
145.06493	0.9
149.02344	1.0
153.01825	10.1
155.04880	1.1
159.04352	0.3
161.05988	1.0
163.03911	1.4
165.01825	4.0
166.02631	0.5
173.05942	1.4
177.05409	0.3
179.03445	0.3
183.02873	1.7
183.04454	0.8
187.03932	1.2
195.02843	0.5
201.05464	4.5
205.05011	0.6
207.02779	0.3
208.40456	0.2
211.03989	0.6
213.05417	0.3
215.03502	0.2
219.02881	0.4
219.06497	0.6
228.04228	0.5
229.04955	9.5
232.03812	0.2
239.03470	0.5
247.05972	1.8
257.04456	6.0
274.04785	1.7
275.05438	0.4
285.03900	3.3
303.04987	100.0
304.05359	3.9
311.32394	0.2
317.34277	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08319	0.3
50.38189	0.3
51.82944	0.3
59.54011	0.3
65.03927	0.6
68.99779	3.3
69.03391	0.3
69.78508	2.2
70.98280	0.4
76.74495	0.3
81.03419	0.9
83.01694	0.4
90.97465	0.4
93.03392	0.8
95.04971	1.1
105.03387	0.5
105.65054	0.4
109.02885	1.4
111.00811	2.8
117.06997	0.4
120.87469	0.4
121.02869	2.5
123.04433	0.8
127.03883	0.5
131.04842	0.6
135.04399	0.7
137.02350	10.1
137.03410	0.8
145.06477	1.0
149.02361	0.6
153.01828	12.9
155.04916	1.6
159.04372	0.4
161.06012	1.0
163.03955	1.6
165.01833	4.9
165.03090	0.5
166.02565	0.7
172.63129	0.4
173.05963	2.3
179.03366	0.8
183.02858	2.2
183.04433	1.6
187.03893	1.2
191.03310	0.5
201.05449	6.1
205.04890	0.4
211.03818	0.5
219.02980	0.4
219.06494	0.7
228.04185	1.0
229.04961	11.0
230.05325	0.6
231.05330	0.3
232.03532	0.5
233.04527	0.4
246.05421	0.6
247.06007	1.5
257.04465	6.6
258.05063	0.6
274.04633	1.8
275.05548	0.6
285.04028	2.6
303.04993	100.0
304.05368	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
59.27438	0.2
63.27616	0.2
65.03918	0.6
67.01866	0.4
68.99781	3.3
69.03406	0.5
70.97919	0.3
70.98271	0.7
81.03403	0.9
93.03406	0.5
95.04943	0.8
104.31408	0.2
105.03379	0.4
109.02876	0.9
111.00800	2.1
115.05459	0.3
117.06978	0.4
119.04915	0.4
121.02847	2.8
123.04423	0.9
127.03896	0.6
128.06229	0.3
131.04805	0.3
135.04425	0.5
137.02332	8.7
137.03354	0.4
145.06470	1.2
149.02321	0.9
153.01817	10.8
155.04897	1.3
161.05994	0.5
163.03867	1.6
165.01830	4.7
166.02579	0.5
173.05972	1.9
177.05481	0.5
179.03445	0.4
183.02861	1.9
183.04427	1.5
184.05200	0.3
187.03937	1.4
191.03400	0.3
195.02950	0.4
201.05453	5.2
211.03914	0.3
219.06476	0.4
228.04109	0.4
229.04951	10.4
239.03346	0.4
247.06018	1.2
257.04428	5.6
258.04865	0.3
274.04648	1.5
275.05579	0.4
285.03979	2.7
303.04968	100.0
304.05334	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	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51629	0.2
55.01860	0.2
55.94168	0.2
59.70765	0.2
65.03928	0.7
67.01855	0.3
67.05490	0.4
68.99785	2.4
69.03413	0.2
70.38699	0.7
81.03416	0.9
90.44469	0.2
91.05482	0.3
93.03391	0.7
95.04973	1.3
103.05434	0.2
105.03410	0.3
107.04953	0.3
109.02886	1.3
110.03644	0.4
111.00787	2.1
115.05425	0.3
117.06985	0.2
121.02862	2.1
123.04403	0.8
127.03905	0.8
131.04910	0.5
135.04401	0.6
137.02332	8.3
137.03317	0.3
145.06467	1.2
147.04431	0.2
148.10443	0.2
149.02359	0.9
153.01817	10.6
155.04927	1.4
157.06415	0.2
159.04442	0.3
161.05980	0.8
163.03897	1.6
165.00529	0.4
165.01830	4.3
166.02609	0.5
173.05983	1.5
177.01849	0.3
179.03378	0.5
183.02858	1.7
183.04408	1.5
187.03914	0.8
191.03392	0.3
191.07036	0.3
194.83479	0.2
195.02873	0.3
200.04828	0.3
201.05457	4.7
205.04965	0.5
211.03908	0.7
213.05423	0.2
215.03249	0.2
219.02907	0.2
219.06554	0.6
228.04149	0.6
229.04945	9.8
230.05336	0.3
235.88976	0.2
239.03372	0.6
247.06021	1.6
257.04413	5.2
274.04730	1.3
275.05420	0.3
285.03928	2.4
289.79776	0.2
303.04965	100.0
304.05362	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	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01874	0.2
60.73352	0.2
65.03926	0.4
67.01852	0.3
67.05492	0.4
68.99789	2.2
69.97122	0.5
69.97513	0.6
81.03406	0.6
93.03394	0.4
95.04949	1.0
98.21295	0.3
105.03387	0.3
109.02866	1.0
111.00807	1.8
117.07013	0.5
121.02863	1.9
123.04422	0.9
127.03934	0.3
131.04927	0.3
135.04375	0.3
137.02339	6.9
137.03403	0.4
145.02837	0.4
145.06476	0.6
149.02348	0.6
153.01822	8.0
155.04895	0.9
161.05977	0.8
163.03889	0.9
165.01851	3.2
166.02548	0.5
173.05998	1.6
177.05357	0.2
179.03444	0.3
183.02882	1.3
183.04422	0.9
187.03964	1.0
191.03400	0.3
191.07007	0.4
195.02887	0.4
201.05447	3.0
205.05003	0.6
211.04030	0.3
219.02887	0.3
219.06502	0.3
226.91359	0.2
228.04131	0.7
229.04974	7.5
233.04309	0.2
239.03410	0.2
245.04535	0.3
247.05998	1.2
257.04395	3.8
274.04755	1.1
275.05392	0.3
285.03909	1.8
303.04984	100.0
304.05316	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31792	1.2
62.50432	1.3
66.10427	1.2
66.47152	1.3
71.22902	1.8
71.23215	1.7
73.95518	1.2
94.90382	1.1
98.97607	1.5
116.98627	3.5
119.01925	11.1
134.99690	3.3
137.02965	5.5
151.12187	1.1
177.00937	23.3
178.01093	5.4
179.00662	6.5
179.52797	1.3
197.99828	1.6
200.02614	2.0
201.01028	1.8
217.04214	3.1
218.03870	1.8
219.02010	35.6
220.02127	9.6
221.01779	17.8
222.01941	4.1
225.00864	2.0
235.03325	1.4
236.99725	1.7
242.03755	2.3
243.02083	4.0
260.00241	2.0
260.04471	1.4
261.03033	100.0
262.03186	42.4
263.02875	9.6
277.00961	3.5
279.00885	3.8
280.52097	1.2
284.04681	3.8
284.99704	3.5
285.04681	2.9
301.01019	5.4
302.97998	1.3
303.01050	5.8
303.05753	7.2
317.92450	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59483	0.6
55.01869	1.0
55.05488	1.0
56.05032	1.0
60.04525	0.6
62.39669	0.5
65.03956	0.9
67.05493	0.9
68.99773	2.7
69.03417	0.9
69.07061	2.8
69.97459	2.9
70.06599	4.0
72.08150	8.5
78.83550	0.7
79.05489	0.7
81.03400	2.5
81.07055	1.5
82.62628	0.6
84.04495	1.1
84.08133	1.9
85.02950	0.6
86.09702	66.9
87.10075	0.6
91.05446	1.6
93.03409	0.7
95.04958	1.7
97.02869	1.0
102.74580	0.6
105.03398	0.6
107.04939	0.8
109.02885	1.7
110.07131	0.6
111.00787	1.9
115.05474	0.8
117.07012	1.0
118.08626	0.8
119.04914	2.6
120.70090	0.6
121.02860	2.9
123.04423	8.7
127.03925	1.5
130.06511	1.7
131.04964	0.7
135.04395	1.2
137.02342	10.4
137.05965	0.8
139.03903	2.7
145.06442	2.2
147.04410	7.7
149.02379	1.5
151.03905	10.2
153.01822	10.7
153.05429	0.8
155.04903	1.5
155.06033	0.8
157.13358	41.1
161.05989	1.8
163.03932	2.9
165.01764	3.4
165.05482	1.9
170.06091	0.7
173.05980	2.2
181.04941	1.1
183.02946	1.3
183.04427	1.7
185.12865	10.2
185.16466	1.7
187.03879	1.3
188.07121	0.7
193.05066	1.0
201.05478	3.9
211.07594	0.7
217.01585	0.6
218.05370	1.0
229.04938	9.8
229.37225	0.7
245.04510	1.0
246.04846	1.3
247.05988	0.7
257.04492	6.4
274.04507	2.7
285.04004	2.3
285.07678	0.8
301.03378	1.6
302.04071	7.5
302.11224	1.3
303.05005	100.0
314.22906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05510	2.4
56.42565	0.3
57.03438	1.3
64.03841	0.3
65.03922	0.5
67.05503	5.2
68.99751	0.4
69.03423	0.6
69.07068	2.4
69.84204	2.1
70.13595	0.3
71.04998	2.3
79.05493	5.1
81.07056	10.0
83.04995	1.1
83.08636	0.9
91.05482	6.1
93.07050	7.9
95.04974	1.3
95.08601	5.6
97.06543	1.1
97.10196	0.7
99.08101	0.3
100.80469	0.3
105.04572	0.3
105.07018	6.1
107.04955	0.7
107.08595	7.1
109.06516	1.2
109.10155	4.5
111.08076	0.8
115.05523	0.5
117.07024	1.4
119.04941	0.6
119.08554	3.4
121.06499	0.9
121.10147	4.1
123.08113	0.6
123.11707	3.8
128.06255	0.5
129.07001	1.5
130.06511	0.4
131.08563	3.3
133.06487	0.7
133.10132	4.3
135.08054	1.3
135.11720	2.5
137.09605	0.9
142.07761	0.9
143.08577	2.3
145.06514	0.4
145.10109	3.4
147.08044	1.0
147.11649	1.8
149.06026	0.4
149.09599	2.8
149.13246	0.9
151.11183	1.5
153.01805	2.4
153.07013	0.5
153.12773	0.5
155.08537	0.9
157.10081	2.1
158.10828	0.4
159.08069	1.4
159.11662	2.7
161.09621	1.6
161.13254	1.1
163.11147	0.7
165.06985	0.4
167.08569	0.4
168.00650	0.4
169.10101	0.9
171.11647	1.8
173.09607	1.3
173.13242	1.7
175.03761	0.4
175.11226	1.0
175.14911	0.5
177.12695	0.9
181.06459	0.7
181.10194	0.8
181.12103	0.4
183.11705	1.3
183.13797	0.3
185.09662	0.7
185.13275	1.7
187.11227	1.2
187.13258	0.6
187.14848	1.0
189.12762	1.0
191.14354	0.4
195.11729	0.7
197.13269	0.8
198.06779	0.4
199.11247	0.7
199.14859	1.5
201.12790	1.2
201.14621	0.4
201.16449	0.4
203.14182	0.4
209.13246	0.8
213.12723	0.7
213.16350	1.2
215.14258	1.6
215.17891	0.3
217.04985	0.3
219.13919	0.4
225.16389	0.9
226.06416	0.4
227.14299	1.5
227.17970	0.8
229.04947	3.5
229.15912	0.9
230.05370	0.5
231.13768	0.5
237.16588	0.4
239.17920	0.4
241.08618	0.5
241.15762	0.8
241.19458	0.5
243.17433	1.1
245.04518	0.5
245.15407	0.9
253.19547	1.0
255.21101	3.3
257.04477	1.7
257.17526	0.9
258.05231	51.4
259.05511	3.4
265.19562	1.7
268.18188	0.5
271.20581	1.1
273.03738	0.5
273.22159	0.9
283.20544	8.9
286.04715	66.6
287.05042	4.7
301.03583	7.3
301.07040	100.0
301.21649	19.7
302.04037	0.5
302.07318	8.1
302.09955	0.3
302.22086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
51.82468	5.7
53.03935	10.7
55.05505	32.5
57.03428	13.6
57.07064	10.1
65.61466	5.5
67.05506	84.9
69.03415	6.8
69.07067	42.7
71.04975	17.3
71.50536	12.4
79.05489	53.8
80.39027	4.9
81.07050	72.8
83.04967	9.9
83.08604	16.7
85.06547	8.5
91.05489	58.1
93.07043	64.1
95.04965	32.2
95.08592	43.1
97.06527	14.5
105.07026	69.7
107.08596	98.3
108.10587	6.2
109.06526	21.2
109.09470	6.7
109.10154	74.7
111.08131	7.1
117.06999	19.6
119.05005	6.8
119.08585	100.0
121.06450	7.8
121.10154	63.6
123.08064	21.8
123.11676	14.4
129.07018	10.4
130.07729	7.5
131.08565	42.4
133.10136	74.1
135.08038	31.8
135.11671	32.2
137.09633	47.5
142.07739	14.2
143.08546	28.7
145.10120	61.7
147.11673	33.2
149.09602	8.7
156.09338	9.8
157.10106	39.4
158.10934	6.3
159.11703	25.3
161.09625	20.9
161.13225	8.6
163.11179	11.0
167.10667	8.5
169.09955	8.2
171.11696	59.0
173.09590	9.2
173.13257	37.6
175.14737	8.6
177.08994	6.4
181.12158	9.4
185.13274	28.6
187.14873	14.6
189.05513	7.4
191.10643	7.9
191.14297	63.4
193.12312	7.9
199.14842	21.6
199.91649	7.4
213.16451	18.4
217.04874	9.0
217.15773	6.6
221.15515	5.8
227.17982	29.8
231.13777	13.9
241.19446	48.2
245.04413	7.4
245.13582	8.7
252.83379	5.7
255.21103	10.2
273.04196	7.6
283.20483	15.9
301.03375	72.8
301.07034	16.1
301.21768	90.1
302.03851	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	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03928	1.4
55.01876	2.4
55.05504	10.1
57.07049	1.9
65.03939	2.2
67.05509	19.8
68.99799	1.9
69.03418	1.7
69.07071	8.0
69.40907	10.4
71.04993	3.1
73.08543	1.3
79.05487	18.8
81.07054	38.7
83.08614	4.7
83.74381	1.3
85.06541	1.9
87.15398	1.2
91.05477	22.2
93.06471	2.4
93.07042	34.0
95.04955	5.3
95.08601	26.6
97.06525	3.3
97.10152	1.4
99.08102	1.6
105.07037	30.6
107.04987	2.6
107.08591	32.1
109.06516	4.7
109.10154	16.8
111.08091	1.8
115.05428	1.6
115.51851	1.4
117.06991	7.4
119.04905	2.8
119.08581	26.2
121.02850	4.6
121.06476	4.0
121.10139	17.0
121.57980	1.4
123.08070	4.3
123.11719	13.0
125.09583	2.9
128.06238	2.1
129.06989	5.1
130.07784	1.4
131.08577	16.5
133.06519	3.9
133.10124	22.1
135.08052	3.3
135.11684	8.0
137.09621	4.8
141.06889	1.8
141.62248	1.5
142.07762	2.6
143.08528	13.6
145.06490	2.2
145.10106	16.7
147.04388	5.8
147.08037	5.0
147.11667	12.5
149.06018	2.4
149.09642	12.9
149.13261	4.4
151.11189	7.0
152.06221	2.0
153.06935	2.1
155.08537	4.9
156.09331	2.6
157.10095	12.4
158.10902	1.9
159.08049	5.0
159.11700	14.3
161.09610	6.2
161.13275	8.2
163.11174	3.5
163.14757	1.3
165.06903	1.7
167.08549	2.8
167.10742	1.6
169.10147	5.0
170.10884	1.5
171.07997	2.6
171.11650	11.8
172.12311	1.6
173.09607	4.0
173.13257	14.4
175.11185	6.3
175.14795	3.7
177.12799	3.6
181.06499	3.9
181.10110	3.0
183.08032	2.4
183.11702	5.5
184.05109	2.3
185.09589	4.3
185.13231	11.3
187.11214	5.5
187.14833	4.9
189.12720	5.5
191.14320	1.5
195.11761	3.1
197.13303	6.1
198.06819	1.7
199.11182	2.1
199.14803	9.7
201.12740	8.4
201.16396	2.9
203.14325	5.5
209.13283	3.3
211.14833	3.7
212.04713	2.5
213.12772	4.2
213.16377	4.5
215.14304	6.3
215.17889	1.4
217.04951	2.0
217.15819	1.9
219.13782	1.7
223.14906	2.2
225.16385	3.6
226.06258	2.4
227.14372	7.4
227.17921	4.5
229.05022	2.4
229.15916	4.6
231.13802	4.1
237.16347	2.3
239.17932	2.3
241.08603	4.9
241.15871	2.9
241.19524	2.7
243.17453	4.3
245.04388	2.7
245.15375	3.6
251.07053	1.5
253.19508	4.5
255.17415	2.9
255.21082	18.5
257.04391	2.5
258.05139	7.1
265.19391	7.0
269.08005	2.6
271.20624	6.9
273.04068	2.0
273.22101	5.3
283.20581	43.9
284.20950	1.6
285.03958	22.9
286.04712	44.1
286.07700	2.4
287.05127	4.5
301.03448	17.9
301.07080	51.4
301.10687	13.5
301.21625	100.0
302.04077	1.8
302.07480	3.7
302.21970	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	301.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01869	6.6
55.05507	20.0
57.03435	27.9
57.15497	2.1
59.05011	3.4
61.02903	2.6
65.03927	3.8
67.05504	77.8
68.99793	2.6
69.03421	5.2
69.07056	19.1
71.04990	81.5
71.58504	2.8
72.08155	2.4
74.06680	2.3
79.05486	38.8
81.07052	100.0
83.04975	10.2
83.08643	12.3
85.02887	3.4
85.06535	8.3
86.09705	22.4
91.05479	63.6
93.07037	62.1
95.04982	9.2
95.08607	21.8
97.06541	16.8
99.08092	3.0
105.07021	33.6
107.08590	29.8
109.06509	5.9
109.10150	16.1
111.08090	7.5
115.15454	2.3
117.07021	13.7
119.08553	10.1
121.10125	13.7
123.11700	22.0
125.09663	2.3
128.10722	2.6
131.08574	15.4
133.10114	33.8
135.11710	11.1
145.10085	6.2
146.11769	9.4
147.11661	3.6
149.09601	3.8
149.13202	14.2
151.11197	27.7
153.07008	3.5
159.11713	18.6
161.05933	3.7
163.11159	3.4
165.06940	3.2
171.11699	2.6
177.12782	10.3
181.06462	7.3
183.13857	15.7
187.13217	15.1
195.13707	6.8
197.05986	5.3
201.14854	6.0
209.06023	2.6
217.04999	7.8
241.08679	4.0
255.11276	2.5
257.17410	22.7
258.05228	10.9
269.08246	3.4
269.17398	18.0
273.03796	5.6
279.95975	2.4
286.04700	22.0
301.03433	47.4
301.07074	37.0
301.10852	12.7
301.19949	26.6
302.03885	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.44915	2.4
55.05516	27.4
57.03425	6.7
57.07079	3.5
67.05508	20.1
69.07074	15.1
70.64436	5.5
71.04974	6.8
79.05489	26.0
81.03371	3.1
81.07055	56.2
83.04980	3.4
83.08619	18.0
85.06504	3.8
91.05471	25.7
93.07040	23.9
95.04972	6.4
95.08607	25.5
97.02946	3.1
97.06533	2.7
99.08077	3.1
105.07031	22.4
107.08596	23.8
109.06508	13.1
109.10165	15.7
111.08087	3.6
117.07027	11.9
119.08577	31.9
121.06512	3.0
121.10116	23.7
123.08021	6.6
123.11708	12.5
129.06998	7.6
131.08562	15.1
133.06480	3.3
133.10124	18.9
135.08018	9.7
135.11684	11.7
137.09608	6.9
137.13208	3.3
139.07544	6.9
141.06964	4.3
142.07716	3.8
143.08563	12.0
145.10146	28.2
147.08067	5.5
147.11682	15.6
149.09612	6.1
149.13272	3.7
151.07634	3.6
155.08559	9.5
156.09357	4.2
157.10088	14.6
159.11754	16.9
161.09592	5.1
161.13242	5.5
163.14813	5.4
165.12752	10.0
167.08578	4.2
167.10657	3.2
169.10159	10.5
171.11679	16.9
173.09581	5.4
173.13240	7.7
175.14731	5.0
177.09044	4.7
181.10103	7.1
182.10979	3.4
183.11678	20.1
185.09572	3.1
185.13255	22.3
187.14751	7.9
189.12720	4.6
191.14310	9.7
193.12390	2.8
195.11649	10.4
197.13277	17.2
199.14842	29.5
201.12782	4.2
209.13292	6.0
210.13895	3.1
211.14818	4.1
213.16380	8.6
217.04955	4.3
223.14946	3.9
225.16394	17.9
227.14391	5.1
231.13771	15.7
231.17503	6.0
233.15417	6.5
237.16493	4.2
239.17938	11.2
241.15791	4.3
241.19521	12.4
243.17381	8.4
255.17537	4.1
255.21101	11.4
257.19034	6.2
265.19580	13.0
273.03943	4.0
273.22095	17.3
283.20532	45.2
286.04926	2.9
301.03433	35.8
301.06732	6.7
301.16428	6.0
301.21631	100.0
301.25046	4.8
301.32721	6.0
302.21857	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.5
53.79584	4.8
55.01869	24.6
55.05514	35.4
57.03441	35.2
57.07053	5.6
65.03921	6.9
67.05504	100.0
69.07063	35.6
69.35008	9.1
69.35350	54.0
70.57185	4.9
71.04990	13.9
74.78629	4.7
79.05495	85.7
81.03416	17.2
81.07055	89.8
83.04978	38.6
83.08616	16.1
85.02896	7.8
85.06538	9.4
91.05482	61.9
93.07047	81.9
95.04951	35.5
95.08611	36.4
97.06539	23.6
97.10168	13.4
97.93748	5.9
99.04452	5.7
105.07039	29.2
107.04942	53.3
107.08596	43.7
109.06537	14.9
109.10184	30.7
111.04437	41.2
111.08096	9.5
117.07021	34.7
119.08579	35.2
119.73988	4.9
121.06509	7.1
121.10154	58.7
121.48826	5.8
125.09650	8.6
129.07014	13.1
130.07811	7.2
131.04968	7.4
131.08533	29.1
133.10129	12.4
135.08061	11.4
135.11691	63.3
143.08585	10.4
145.06483	21.8
145.10126	75.6
147.08083	13.0
149.09656	10.1
153.12750	18.1
155.08566	16.7
157.10132	11.6
159.11678	12.6
163.11180	69.7
169.10129	8.4
171.11633	6.4
173.09627	43.2
181.10150	7.3
181.12259	28.5
185.09616	5.8
187.11276	8.5
191.10667	37.8
199.11221	8.3
199.14839	5.5
209.11742	11.0
217.04985	5.3
227.12746	18.4
250.64064	5.5
255.21178	6.6
265.19568	8.2
283.20581	50.4
301.03452	29.6
301.06842	12.2
301.13577	9.0
301.16702	44.5
301.21637	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	301.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01871	1.9
55.05505	9.3
56.05037	9.9
60.02386	1.2
63.76336	1.1
65.03929	1.5
67.01872	1.4
67.05511	5.9
68.05011	11.1
68.99788	10.3
69.03443	1.3
69.07053	5.1
70.98552	2.5
79.05473	4.4
80.05015	7.9
81.07061	6.2
82.06582	7.2
83.08603	5.7
88.23351	1.4
91.05457	6.0
93.05794	2.5
93.07037	9.8
94.06544	5.1
94.17367	1.1
95.04948	2.0
95.07355	3.0
95.08602	4.4
96.04481	3.3
96.08133	1.5
97.08897	2.3
98.09690	12.4
100.03973	1.6
102.51324	1.4
103.05470	2.4
104.89754	1.1
105.03372	1.4
105.07011	6.2
107.04951	1.5
107.07351	1.5
107.08579	1.7
108.08114	2.5
109.02863	1.1
109.10199	1.4
110.09665	24.0
112.11208	2.8
115.05437	5.3
118.06515	3.8
119.04933	1.4
120.08189	1.6
121.02863	1.3
121.06493	2.7
122.09664	24.8
122.10497	2.4
124.11230	11.2
125.70961	1.2
128.04941	1.7
129.06958	1.4
130.06512	69.3
132.04442	28.0
132.08064	8.9
133.06467	2.4
137.02315	4.2
138.09097	2.2
142.06512	5.2
146.05975	14.4
147.04433	2.7
148.07571	1.9
153.01828	4.7
153.06967	1.4
155.04922	1.4
156.10179	29.9
157.07590	9.9
158.06003	94.9
159.06538	1.6
160.07565	23.7
161.02350	2.1
161.05948	6.5
165.07005	1.6
168.10211	11.6
171.04465	3.4
172.07550	3.6
173.07104	2.8
175.03934	1.7
175.08647	35.9
176.07040	1.7
177.05392	1.5
180.46428	1.3
184.07588	2.2
185.07008	2.1
186.05504	3.2
187.08624	1.6
189.05496	8.5
196.07506	2.7
199.03889	1.8
199.08795	1.5
200.04700	1.6
203.03348	4.6
204.06586	1.6
217.04935	44.7
217.07036	2.3
218.05331	2.8
226.12265	3.4
227.03410	1.9
231.02933	1.5
231.07385	1.4
238.12152	2.4
245.04433	42.5
246.04671	1.4
255.02893	1.8
255.14928	37.2
257.16562	4.7
273.03891	45.0
274.04282	2.9
286.04675	4.4
301.03455	81.5
301.06985	7.8
301.15439	100.0
302.03983	10.6
302.15683	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Koparin
Peak:m/z	Relative Intensity
53.03944	0.7
55.01857	0.7
55.05488	1.2
57.03428	0.7
58.02632	0.4
65.03922	0.4
67.05490	2.8
68.02648	0.5
68.99777	0.8
69.03416	0.8
69.07060	0.8
69.58365	0.8
69.58779	2.5
69.81945	0.4
71.04971	1.5
72.08135	1.0
79.05494	2.7
81.07041	3.7
83.08578	0.6
89.03922	0.6
91.05480	2.5
93.07034	2.4
95.04945	1.0
95.08602	2.2
97.06519	0.6
98.21516	0.5
105.03391	2.9
105.07019	2.5
106.00500	0.9
106.04149	0.5
107.04935	2.0
107.08556	2.3
109.02856	0.4
109.10149	1.0
111.04427	0.6
112.11222	0.5
115.05443	0.6
117.07005	0.8
119.08566	1.4
121.02810	0.9
121.06461	0.7
121.10109	1.8
123.08132	0.6
123.11710	0.6
124.01571	4.2
128.06198	1.3
129.07016	0.8
131.08499	0.8
133.10121	1.8
134.03624	5.5
135.04425	1.6
135.08002	0.5
135.11673	0.9
135.50487	0.4
137.02309	1.1
137.05942	0.7
139.05415	0.9
143.08620	0.5
145.02843	1.0
145.06425	0.6
145.10083	1.6
147.07976	0.4
147.11665	0.6
151.03879	0.7
151.11169	0.8
152.01031	19.3
152.06174	0.7
153.01816	7.1
153.06998	1.1
154.02670	0.4
155.08556	0.5
156.05641	1.0
157.06473	1.3
157.10104	0.7
159.11671	1.4
161.02321	3.9
163.03880	0.6
163.11192	0.9
165.05470	0.4
165.06886	0.7
167.01974	0.5
167.03418	10.7
167.04898	1.6
168.03722	0.4
169.06458	0.6
170.02100	15.1
171.11694	0.6
175.11154	0.6
181.06487	0.9
183.04402	0.5
184.05170	2.9
185.05968	1.5
195.04335	0.7
197.05957	0.8
198.06735	0.8
202.06210	0.5
203.03365	0.4
211.07274	0.5
212.04706	2.5
212.20078	0.9
213.05461	4.9
213.09064	0.7
216.04218	1.3
217.05011	1.1
223.03934	1.0
226.06203	1.1
227.12793	0.6
229.04883	3.4
230.05727	3.5
240.04143	5.2
241.04930	6.1
241.08607	1.0
242.05563	0.4
244.03856	0.5
245.04482	1.0
245.08081	4.1
255.06442	2.2
255.20930	0.4
257.04373	1.2
258.05188	2.9
258.09003	0.4
268.03656	3.3
269.04376	2.5
273.03885	1.5
273.07486	1.3
283.05902	1.2
283.20554	0.5
285.03928	5.6
286.04691	32.6
287.04944	1.4
301.03534	9.6
301.07019	100.0
301.21667	2.7
302.07330	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
52.86495	0.2
55.01867	0.3
57.07051	0.2
66.01073	1.0
67.05483	0.6
68.02643	0.2
68.99789	0.7
69.07057	0.3
71.01352	0.2
78.01059	0.8
79.05486	0.3
81.07040	0.4
84.02076	0.2
89.56866	0.2
91.05471	0.6
93.07014	0.5
94.04177	1.7
95.04984	0.4
95.08593	0.3
101.95151	0.2
105.06969	0.3
107.08568	0.4
107.85703	0.2
109.10130	0.4
111.04440	0.2
112.08620	0.2
121.02856	6.8
121.10120	0.3
127.25375	0.2
131.08521	0.2
134.03593	0.4
136.01494	0.3
137.02347	1.4
153.01801	0.7
165.01743	0.5
166.77002	0.2
168.14821	0.2
184.05212	2.8
187.03957	0.3
188.04686	1.7
189.05435	0.3
193.01305	0.8
202.06174	0.2
210.01582	0.7
210.24619	0.3
212.04677	2.1
213.05484	4.1
215.03346	0.7
216.04185	0.3
222.16534	0.2
229.04936	4.6
230.05569	0.4
240.04178	0.9
241.04930	1.5
257.04459	2.6
258.05234	14.2
259.05585	0.6
269.04437	1.2
285.03928	39.7
286.04697	84.7
287.05078	2.4
301.07047	100.0
302.07349	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
54.16777	0.2
55.05495	0.7
57.03418	0.3
67.05500	1.7
69.07056	0.7
70.19861	1.1
71.04982	0.9
73.85539	0.3
79.05487	1.9
81.07059	2.9
83.04969	0.3
85.02873	0.2
87.69883	0.2
91.05483	1.4
93.07053	2.6
93.43850	0.2
95.04960	0.5
95.08626	1.4
97.06505	0.3
97.83266	0.2
105.07034	1.9
107.08584	1.9
109.06503	0.3
109.10126	1.1
111.08934	0.2
113.98427	0.2
117.07004	0.4
119.08572	1.0
121.06502	0.3
121.10133	1.2
123.11700	1.2
128.06236	0.3
129.06969	0.3
131.08568	1.1
133.10138	1.3
135.08073	0.3
135.11684	0.6
137.09616	0.3
143.08569	0.7
145.10065	0.9
147.08093	0.3
147.11693	0.7
149.05988	0.4
149.09598	0.8
149.13281	0.4
151.11159	0.6
153.01848	1.9
155.08569	0.5
157.10101	0.6
159.11664	0.9
161.09651	0.4
161.13274	0.4
163.11101	0.4
171.11674	0.6
173.09653	0.3
173.13286	0.7
175.11237	0.3
175.14952	0.3
183.11720	0.3
185.13176	0.4
187.11154	0.3
187.14824	0.3
191.10652	0.3
199.14804	0.9
201.12823	0.4
213.16425	0.4
215.14302	0.3
225.16360	0.3
227.14346	0.3
229.04964	3.0
241.15701	0.3
243.17447	0.3
245.15373	0.4
255.21120	1.0
257.04465	1.1
258.05231	49.0
259.05539	1.3
265.19485	0.4
273.04004	0.3
282.64078	0.3
283.20547	3.2
286.04709	58.9
287.05096	1.8
301.07043	100.0
301.21619	5.4
302.07410	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0703
Annotation	Diosmetin
Peak:m/z	Relative Intensity
57.03428	0.3
67.01867	0.6
67.05495	0.5
69.07058	0.4
79.05479	0.5
81.03443	0.3
81.07049	0.4
85.02894	0.3
88.78446	0.3
91.05473	0.5
93.07044	0.5
95.08576	0.2
97.02907	0.3
98.21505	0.7
104.60798	0.2
105.07008	0.5
106.79274	0.3
110.09787	0.2
117.03408	0.4
121.10159	0.4
124.01569	2.5
124.02386	0.4
131.08569	0.3
135.04427	1.7
136.05171	1.1
137.02371	0.8
150.61841	0.3
158.06064	0.2
161.02348	1.1
167.03410	4.8
170.90700	0.2
176.04662	0.3
184.05168	1.3
185.04456	0.8
187.03831	0.5
189.57968	0.3
203.03407	2.3
212.04721	1.0
213.05438	1.9
229.05000	1.0
230.05748	0.4
240.04268	0.5
241.05043	0.3
245.04529	0.4
258.05234	21.4
259.05658	0.6
283.06024	0.2
286.04691	7.1
286.07703	0.5
287.20676	0.3
301.07043	100.0
302.07388	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	300.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23710	0.6
55.01877	1.2
55.05500	1.9
56.96548	0.9
57.03421	0.9
57.07077	6.2
58.06602	4.2
66.89534	0.6
67.01845	0.8
67.05498	4.9
68.99776	0.8
69.03413	1.8
69.07055	2.9
70.06570	2.8
71.04971	2.0
71.08628	9.2
71.58073	0.6
72.08154	83.6
79.05463	2.5
81.07051	8.6
83.08611	1.2
84.04485	1.2
84.08126	2.7
85.06529	1.1
85.10178	6.2
91.05478	4.6
93.07051	4.2
95.04979	1.0
95.08606	8.3
97.02876	0.7
97.06551	0.7
105.07006	2.6
107.04952	1.3
107.08598	2.4
109.06463	0.7
109.10145	1.3
111.08148	0.8
112.11241	3.2
115.05455	1.0
119.04952	1.4
119.08548	1.4
121.06466	0.8
121.10109	1.3
123.04454	0.7
130.05072	0.9
131.08519	1.9
133.10103	2.4
134.10472	0.8
135.11658	1.0
137.13257	1.3
138.05495	0.7
143.08466	0.7
147.04372	1.4
149.06013	1.2
151.11200	0.9
152.06235	0.8
153.07001	2.8
155.14302	10.9
157.10107	0.7
165.06903	1.7
169.06499	0.9
171.04366	0.7
171.11627	0.9
175.03830	1.6
177.05460	1.5
181.06461	3.4
194.05295	0.9
195.08078	0.7
196.05190	3.0
197.05881	1.1
198.06685	2.0
203.03423	1.3
207.06526	1.4
211.07538	2.7
212.20087	100.0
213.09116	1.9
213.20435	1.4
214.06308	0.7
217.04944	2.7
224.04637	2.1
225.05380	1.2
226.06262	2.1
227.03368	2.3
227.06940	1.2
228.04179	1.4
229.22749	9.2
237.05417	0.8
239.07016	8.9
240.07509	1.3
241.05087	0.7
241.08540	3.7
242.05727	2.7
245.04431	2.4
256.03674	2.3
257.08051	1.9
258.05328	0.8
258.08432	0.9
269.08093	3.1
271.06000	2.9
273.03915	3.2
283.27444	31.8
284.28000	0.9
285.07578	20.8
286.04721	2.1
286.07944	1.6
300.06198	1.1
300.09863	13.8
300.20422	1.5
300.30078	35.9
301.03513	17.9
301.07007	3.6
301.10684	10.5
301.14990	1.9
301.21677	1.0
301.24847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1594
Annotation	(R)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
55.01873	0.8
55.05510	0.9
67.05511	0.8
69.07075	0.7
69.72861	3.1
69.73277	1.0
70.06582	4.5
72.08147	2.0
79.05485	1.4
81.03397	0.6
81.07048	0.7
84.04494	1.1
84.08130	1.5
86.09696	2.8
88.02203	0.6
88.99005	0.6
90.51631	0.6
91.05489	4.3
93.07047	2.1
95.04977	1.6
98.21526	0.9
103.05467	2.2
105.07020	1.5
107.04953	100.0
107.59248	0.6
108.05259	1.2
109.06529	0.6
115.05470	4.7
116.07097	0.6
117.07002	2.2
119.04952	2.1
119.08595	1.1
120.08091	1.0
121.06492	5.7
129.10243	0.9
131.04897	3.0
133.06496	0.9
134.03630	0.7
137.05977	9.4
143.04921	11.0
145.06497	8.2
147.08084	1.4
149.06000	3.4
151.07549	1.6
152.05701	0.6
153.01781	1.6
153.07007	1.4
159.53128	0.5
160.05208	3.1
161.05920	0.8
162.06795	0.8
163.07555	2.3
165.07001	1.1
166.07698	0.7
170.02206	0.8
175.07542	14.9
176.08379	0.7
177.05496	3.1
178.08733	1.4
179.08568	1.6
179.15898	0.6
180.10222	0.9
181.06494	2.4
181.10190	1.2
182.07309	1.7
191.08580	3.5
192.10165	1.8
194.07329	2.7
195.08057	1.2
197.05945	1.7
197.09601	4.2
209.09618	9.6
210.06743	0.8
211.07576	0.7
211.11066	0.8
213.05457	0.7
213.08965	1.2
219.08115	2.1
225.05611	0.8
225.09077	2.6
229.05022	1.7
237.09081	10.9
239.07059	1.0
239.10789	1.2
241.08656	1.1
254.09349	3.1
257.11749	2.6
258.05212	5.2
267.13354	0.7
268.13266	0.9
269.11710	25.0
271.13300	1.5
272.06689	0.9
285.03873	2.7
285.07266	0.9
286.04712	17.7
300.15936	92.9
301.07080	32.4
301.10620	3.3
301.16278	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
50.06732	2.1
55.05508	7.8
55.23436	2.4
65.03937	2.7
66.36560	2.2
67.05482	5.9
69.07054	4.0
79.05482	13.6
81.07064	12.4
88.48354	2.2
91.05484	47.7
93.07059	20.6
95.08599	7.4
103.05481	2.1
105.07034	43.2
107.08591	24.0
109.10165	5.0
115.05447	3.9
117.06997	16.7
119.08578	79.3
121.10134	24.9
123.11716	7.7
128.06244	9.6
129.07014	25.5
129.19511	2.2
131.08566	28.7
131.22252	2.3
133.10124	100.0
135.11713	4.5
137.09671	3.1
142.07745	5.3
143.08556	23.8
144.09306	2.4
145.10107	19.0
147.11682	18.6
149.09598	2.7
153.09082	7.3
155.08539	7.2
156.09360	4.3
157.10110	19.1
159.11697	44.4
165.09085	4.1
167.08560	2.8
167.10640	3.6
169.10068	11.2
171.11661	36.2
172.12329	2.3
180.93788	2.8
181.12276	4.1
183.11668	20.9
185.09622	4.6
185.13283	12.5
197.13274	10.9
198.14223	2.3
199.14816	7.9
203.10771	3.3
211.14780	5.6
217.12212	5.6
219.13684	2.6
229.12309	5.4
229.29800	2.6
237.16483	3.5
239.17929	43.6
243.13737	3.8
253.19583	4.8
281.18994	3.9
299.20065	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.39072	2.1
53.03938	3.0
55.01880	2.2
55.05497	9.9
56.88552	1.8
60.75924	2.0
67.05511	12.5
69.03410	2.7
69.07065	7.7
69.43512	5.9
69.43937	15.5
71.58760	2.1
71.98759	2.0
79.05484	27.8
81.07050	12.8
83.08614	2.8
84.98176	2.0
85.02885	2.5
85.06534	4.8
91.05479	65.8
93.07046	68.2
95.05018	4.1
95.08608	13.5
97.02850	2.5
102.83947	2.0
105.07040	54.7
105.07748	1.8
107.08601	33.5
109.06507	3.9
109.10141	7.6
111.08094	4.6
115.05441	4.6
117.07021	23.9
119.08578	73.0
121.06509	2.0
121.10141	76.3
123.11682	8.1
128.06171	11.8
129.07018	25.1
131.08580	41.2
133.10129	100.0
135.07996	3.3
135.11682	5.2
141.07028	2.7
142.07755	4.3
143.08553	41.3
144.09299	2.6
145.06400	2.3
145.10120	25.1
147.08055	2.3
147.11716	17.7
149.09628	16.8
153.09084	6.0
155.07416	2.6
155.08502	11.6
156.09332	5.3
157.10129	25.4
159.11696	57.8
161.09564	2.4
161.13301	2.8
163.11311	2.4
165.09138	4.6
167.10712	5.6
168.09323	2.4
169.10124	15.5
171.11678	33.5
172.12299	3.8
173.13284	4.7
177.09090	3.9
181.10139	3.7
181.12230	6.0
182.10815	3.0
183.11694	21.0
184.12390	3.2
185.09618	6.2
185.13220	12.4
191.10634	2.7
195.11734	3.9
197.13210	18.0
199.14821	8.4
203.10672	3.8
205.12259	2.8
209.13205	3.2
211.14812	7.3
217.12189	9.4
229.12178	4.5
237.16408	9.4
239.17949	58.1
243.13847	4.7
253.19542	3.7
263.17764	2.5
271.16937	2.2
281.18958	6.7
299.09082	2.8
299.20056	87.8
300.20325	3.4
320.60239	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
50.69611	2.3
53.03957	2.0
55.05500	11.4
56.75723	2.4
58.65317	1.9
66.05685	2.0
67.05506	10.9
69.07054	8.0
71.05008	2.7
79.05492	20.0
81.07056	18.3
83.04996	2.5
83.08611	3.5
85.06538	2.9
87.09854	2.0
91.05483	25.9
93.07043	30.5
95.04951	8.5
95.08604	22.3
97.06551	3.1
98.21536	3.2
105.07035	32.5
107.08586	22.0
109.06518	8.5
109.10140	15.3
111.08067	2.7
115.05450	3.2
117.07000	16.2
119.08585	36.4
121.10139	31.7
123.08069	4.5
123.11712	6.0
128.06204	10.5
129.06938	15.9
131.08542	18.7
133.06528	2.7
133.10126	28.9
135.08031	11.7
135.11665	11.0
137.09598	6.1
140.70473	2.0
141.06984	7.2
142.07825	4.9
143.08554	38.1
145.06465	2.8
145.10127	28.2
147.08058	3.5
147.11685	12.6
149.09601	7.9
151.11264	3.3
154.07802	3.9
155.08545	20.4
156.09358	3.3
157.10095	24.4
159.08011	4.4
159.11667	20.7
161.09613	8.8
161.13249	5.6
163.11179	8.4
165.06964	5.2
166.07811	4.3
167.08514	10.4
168.09340	8.1
169.10118	32.3
170.10881	3.2
171.08043	2.3
171.11734	17.4
173.09621	3.6
173.13275	8.2
175.11159	9.0
179.08539	6.2
180.09338	3.0
181.10109	16.0
182.10881	7.1
183.11694	27.6
184.12277	3.1
185.09654	4.2
185.13275	21.7
187.11124	6.9
187.14871	3.2
191.08556	2.8
192.09282	3.0
193.10114	9.4
193.11676	2.1
194.10902	3.5
195.11702	22.7
196.12430	7.3
197.13255	41.4
199.11206	7.4
199.14844	10.5
201.12794	7.6
205.10263	2.9
206.10950	3.0
207.11708	14.5
208.12488	3.4
209.13243	7.2
211.11237	3.4
211.14856	17.6
213.12761	6.8
213.16461	5.0
215.14349	7.4
219.11653	2.8
221.13229	9.1
223.14828	15.6
225.12743	13.2
225.16263	3.7
227.14343	3.1
227.17963	8.5
229.12256	2.5
229.15901	6.8
229.22142	2.5
233.13223	4.0
235.14874	12.1
237.16362	27.5
239.14334	5.5
239.17955	19.6
241.15779	5.2
243.13701	3.3
248.15761	2.4
253.15929	3.8
253.19499	25.4
255.17401	22.0
257.19037	4.3
263.17950	19.4
271.20596	14.8
281.18991	80.2
299.20041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
50.26586	1.4
55.05499	4.4
57.09328	1.7
67.05482	5.5
68.90688	1.5
69.07050	6.5
70.38512	1.5
70.98416	4.3
79.05495	11.1
81.07050	10.2
83.08588	1.9
85.06525	3.7
91.05482	21.8
93.07041	19.7
95.04973	1.6
95.08594	7.7
105.07025	28.6
107.08595	19.3
109.10139	7.0
111.08098	1.6
117.06997	11.3
119.08573	32.8
121.10134	26.1
123.11702	12.0
127.27410	1.4
128.06200	3.5
129.06993	11.7
131.08569	20.1
133.10121	37.8
135.11713	9.5
141.06989	2.4
142.07768	4.0
143.04893	2.2
143.08546	13.9
145.10109	18.4
147.11684	23.7
149.09616	3.3
153.09070	3.8
155.08502	8.9
156.09332	4.5
157.10114	12.6
159.11679	33.6
161.13237	5.0
165.09180	1.7
167.10661	1.9
168.09369	2.0
169.10124	15.1
170.10876	2.4
171.11661	20.1
173.13268	4.3
177.09132	2.9
181.10213	2.6
181.12219	4.6
182.10883	2.2
183.11694	28.0
184.12459	3.4
185.13263	19.7
186.14021	3.2
191.10593	3.9
195.11720	3.0
196.12445	3.4
197.13231	21.9
199.14769	11.3
203.10660	4.3
211.14804	8.0
217.12277	2.1
224.15498	2.0
225.12729	3.0
225.16295	5.3
229.12231	6.1
237.16377	5.2
239.17938	56.4
243.13774	10.2
244.14410	1.8
253.19559	7.7
257.15439	2.2
271.16855	4.2
281.19089	6.3
299.20050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.42583	0.9
53.03940	1.5
55.01877	1.3
55.05508	4.6
55.41214	0.9
57.03418	1.1
57.07086	1.1
58.60535	0.9
67.05496	7.6
69.03434	1.7
69.07071	4.6
69.29889	5.2
69.30315	6.0
72.08180	1.0
75.87200	0.9
75.87685	1.0
79.05498	8.8
81.03417	1.6
81.07063	12.9
83.04980	1.1
83.08615	2.1
85.06537	1.5
91.05482	27.6
93.06471	2.0
93.07046	31.8
95.04980	4.2
95.08607	6.8
97.06522	1.0
100.37904	1.0
103.05453	1.6
105.07035	38.5
107.04968	1.2
107.08595	16.2
109.06470	1.4
109.10164	4.9
111.08063	1.2
117.07041	4.9
119.08585	21.6
121.06482	1.4
121.10143	33.8
123.08044	2.4
123.11655	2.1
128.06224	1.8
129.07021	5.3
131.08577	12.1
133.10135	100.0
135.08086	1.6
135.11696	4.5
136.06223	1.0
137.09601	4.1
139.66377	0.9
141.07027	1.5
142.07805	2.5
143.08549	8.2
145.10117	9.8
147.08115	2.0
147.11693	6.9
149.09634	5.2
153.09068	1.3
154.07857	0.9
155.08498	5.3
156.09338	2.7
157.10136	9.8
159.08054	1.7
159.11687	9.3
165.09105	12.9
167.10698	5.8
168.09401	2.1
169.10138	8.1
171.11661	10.0
173.09634	1.3
173.13237	2.9
177.09140	2.9
179.10641	1.4
181.10135	1.5
181.12206	2.1
182.10905	1.2
183.11693	11.4
184.12604	1.2
185.13239	7.6
191.10577	1.4
195.11736	2.1
197.13243	12.4
199.14767	1.1
205.12363	1.2
209.13335	1.1
211.14841	9.6
217.12285	3.7
219.13815	1.5
223.14935	1.0
225.12781	1.2
225.16515	1.3
229.12253	2.2
237.16403	1.7
239.17960	23.6
240.18291	1.3
243.13780	4.5
243.43158	1.0
244.14317	0.9
253.19543	2.7
257.15363	1.3
281.19019	2.9
281.26730	1.5
299.05817	2.3
299.09195	1.9
299.20065	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
53.56015	0.7
55.01862	2.2
55.05511	7.9
57.03431	6.4
58.48341	0.8
59.04995	1.9
66.21282	1.0
67.05501	6.2
68.99779	3.0
69.03429	51.4
69.07056	1.2
69.30868	6.7
69.31276	1.8
71.04996	1.3
74.62962	0.8
75.04462	2.0
79.05492	16.9
81.03391	0.8
81.07051	10.1
83.04954	0.9
83.08615	1.4
85.02900	5.4
87.04460	4.2
91.05479	26.2
93.07041	100.0
94.07406	1.2
95.04967	15.4
95.08598	6.0
96.34115	0.7
97.02885	12.8
97.06525	2.6
98.20824	2.2
98.21519	1.7
99.04420	1.9
100.07612	1.0
100.11259	2.3
103.05491	0.9
105.04510	1.2
105.07033	11.7
106.07781	1.2
107.04971	1.4
107.08610	7.3
109.06487	2.1
111.00809	1.8
111.04446	1.9
111.08074	3.4
113.05989	2.1
115.03918	2.3
115.05431	1.2
116.06242	2.3
119.08588	3.8
121.06488	3.5
121.10144	72.3
122.10509	2.0
123.08043	3.0
123.11698	1.1
125.77785	0.8
129.05566	0.9
129.06973	1.4
131.04913	3.0
131.08568	15.8
133.06569	0.9
133.07639	1.1
133.10147	1.4
139.11194	5.3
141.11473	1.6
147.08015	1.3
149.09618	21.2
149.10757	1.5
159.04430	4.6
161.05948	1.1
167.10706	2.8
169.06432	0.9
182.15442	1.9
187.03900	18.2
191.10625	2.0
199.18021	0.8
201.07683	1.7
202.16040	1.7
204.66473	0.9
210.14830	1.2
218.66209	3.2
243.06487	1.4
253.04794	0.8
271.05930	1.4
281.13849	25.9
299.05481	23.8
299.08951	1.3
299.14859	13.6
299.20285	2.1
300.05801	1.9
300.13477	1.2
314.73898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0549
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.74395	0.2
55.01865	0.4
55.39741	0.2
57.03428	0.3
58.31936	0.3
60.35865	0.2
67.05496	0.4
67.57263	0.2
68.99787	9.0
69.03420	0.7
70.64961	0.8
71.01322	0.4
79.05479	0.7
81.03398	0.6
81.07044	0.4
85.02882	0.3
91.05478	1.5
93.07039	3.1
95.04949	0.4
95.08590	0.5
97.02879	0.5
103.05460	0.7
105.06988	0.6
107.04972	0.5
107.08587	0.5
111.00796	6.3
115.05431	0.3
117.06991	0.4
119.04920	0.7
119.08575	0.7
121.02868	0.4
121.10150	2.7
123.07986	0.2
128.06281	0.3
129.07030	0.3
131.04919	14.5
131.08534	0.6
133.06480	1.9
133.10110	0.3
135.04366	0.4
141.06973	0.7
145.02849	0.8
145.06485	1.2
147.08023	0.6
149.02322	1.1
149.09618	0.4
153.01831	1.4
155.04732	0.2
157.06459	1.3
159.04410	20.2
161.05960	3.4
169.06479	2.4
169.10191	0.3
173.02394	0.5
173.05925	2.4
185.05989	0.6
187.03894	74.1
188.04230	1.0
191.03459	0.5
197.05923	2.1
201.05493	1.1
205.04947	0.7
215.07018	3.0
225.05472	1.4
229.04904	1.3
243.06543	5.3
253.04903	1.4
271.06000	3.6
299.05478	100.0
300.05826	2.0
301.67789	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	299.055
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.01862	0.7
55.05510	0.4
59.82642	0.3
62.87408	0.4
67.05483	0.5
68.99792	19.7
69.03403	0.4
69.98402	1.4
72.08128	0.4
79.05494	0.6
81.03421	0.6
81.07032	0.7
91.05501	0.7
93.07053	0.5
95.08621	0.4
105.07027	0.9
107.04964	0.5
109.02847	0.4
111.04420	0.4
111.71803	0.4
117.07024	0.4
119.08585	0.8
121.10150	0.5
128.06233	0.6
129.06993	1.8
130.11363	0.4
133.02853	0.8
133.10059	0.5
135.04405	0.4
137.02341	3.0
141.07002	1.9
145.06470	0.8
147.04422	0.6
155.04919	12.6
157.06512	4.7
161.02368	0.8
169.06461	3.8
173.05989	1.6
177.05862	0.4
181.06502	2.0
183.04419	21.8
183.11609	0.4
185.05983	7.4
197.05995	8.7
201.05446	6.6
202.06178	1.1
203.03403	0.6
203.07053	4.2
211.03897	3.8
215.07034	1.7
225.05499	5.1
226.06204	0.5
229.04965	10.6
238.06259	0.4
243.06476	3.7
253.04904	2.3
271.06091	2.4
281.04401	0.5
299.05505	100.0
299.20108	1.1
300.05841	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53281	0.9
55.05509	6.0
57.03429	2.5
57.99907	1.0
58.06594	1.9
61.01141	1.0
67.05499	4.0
69.03412	1.6
69.07066	11.3
70.06590	1.5
70.64141	3.4
70.64481	1.0
71.04988	1.0
72.08156	100.0
73.08493	1.1
79.05492	4.6
81.07037	4.1
83.04978	1.3
83.08607	3.6
84.04491	2.1
84.08136	4.1
86.09741	0.9
91.05466	4.2
93.07040	7.5
95.08604	3.6
97.02885	1.4
97.06532	4.8
98.06055	34.6
99.00799	2.6
99.06864	1.2
100.07609	6.1
102.09182	3.1
103.85429	0.9
105.07028	2.5
107.08585	5.8
108.13161	1.1
109.06468	1.4
109.10167	2.3
111.04450	1.4
112.07600	6.0
112.11243	2.9
119.08559	2.3
121.02876	1.8
121.10177	0.9
121.71722	0.9
122.34719	0.9
131.08546	1.1
133.10100	4.4
135.11685	5.9
136.06195	6.7
136.13847	0.8
137.02199	1.0
138.12790	0.9
139.05208	0.9
143.92053	0.8
147.04550	0.9
147.08031	1.7
154.15880	1.2
161.09599	1.4
168.68178	0.9
170.05943	1.1
172.13338	10.7
179.10602	1.6
182.15306	4.8
201.84436	1.1
210.18530	100.0
211.18927	2.6
227.21184	12.3
228.21352	1.1
229.05087	1.0
281.25882	31.1
298.25107	1.9
298.28528	38.3
299.05515	7.2
299.15030	1.5
299.26984	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
55.05511	18.2
55.48858	1.8
56.05030	7.7
57.07072	5.0
58.02960	2.1
60.04513	3.8
67.05499	25.6
68.05016	3.0
69.07065	19.7
71.08623	4.0
71.57654	3.0
72.08139	6.9
79.05484	15.1
80.05014	4.4
81.07051	20.2
82.06565	10.7
83.08627	9.7
91.05476	14.1
93.07040	20.3
94.06564	4.6
95.04954	4.4
95.08601	17.5
97.06557	2.9
97.10181	4.5
98.06032	2.1
100.07633	3.5
105.07024	6.7
107.08601	6.3
109.10172	7.7
114.07023	1.5
119.08594	5.7
121.10155	14.2
123.11733	2.7
124.12028	1.9
131.08539	2.3
133.10109	3.5
135.11699	2.1
136.06181	16.7
145.10193	2.1
149.09637	2.7
210.18478	5.8
213.15517	1.7
235.49413	1.8
242.53160	1.9
250.25261	8.3
262.25305	4.2
276.61484	1.5
280.26346	100.0
281.26395	3.8
298.28195	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	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.99402	0.2
60.18032	0.2
61.01147	5.2
70.26732	0.9
75.02701	2.3
77.45496	0.3
79.56882	0.2
94.04065	0.5
97.02880	1.1
98.20899	0.3
103.02149	0.4
119.03533	0.7
136.06175	100.0
137.04553	0.9
137.06540	0.9
138.65137	0.3
145.03188	1.3
163.04271	1.3
241.29248	0.3
278.25119	0.3
298.09634	1.9
298.51175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19724	0.5
70.06590	15.8
70.11125	2.2
84.08144	8.3
91.05485	1.5
93.07050	4.0
99.89040	0.4
100.07614	45.4
108.10078	0.5
111.08092	0.8
113.44869	0.5
116.07098	2.4
116.58887	0.5
119.08527	0.7
128.07074	100.0
129.07422	1.1
136.06143	0.5
138.74405	0.5
196.30249	0.5
234.81142	0.4
252.15973	2.6
298.16473	30.8
299.16803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.01859	10.9
55.05511	70.8
57.03428	8.9
57.07061	13.0
67.05503	100.0
69.03432	9.8
69.07066	62.6
71.05004	5.3
71.08629	12.0
79.05495	53.2
81.07056	97.0
83.04974	11.3
83.08614	39.8
85.06514	7.0
91.05495	18.7
92.16874	3.0
93.07039	48.4
95.08604	64.2
97.06527	18.9
97.10177	46.7
99.08083	4.7
102.90884	3.1
105.07069	14.4
107.08604	36.7
109.10149	45.7
111.08078	7.6
117.07013	4.6
119.08575	14.7
121.10139	14.0
123.08089	3.8
123.11730	15.3
125.09651	34.7
131.08549	8.1
133.10121	7.0
135.08040	7.2
135.11674	31.2
137.09592	3.9
137.13260	12.8
138.93268	3.3
143.08536	3.6
145.10179	5.5
147.11679	8.3
151.11163	4.0
151.14801	3.5
153.12749	12.9
159.11676	5.9
161.13237	5.5
163.14774	3.2
173.11798	6.4
173.13246	4.9
175.14760	3.3
177.16353	3.1
179.14272	3.1
183.13849	7.6
187.14766	3.9
189.11186	17.9
191.40524	3.2
209.15416	3.4
223.16748	5.0
235.10751	7.0
236.07912	5.7
243.21030	4.3
251.10275	6.9
261.22095	25.2
266.12674	14.5
279.23184	53.0
297.24341	4.0
297.29706	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	297.2423
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.01865	2.2
55.05507	13.5
57.03423	2.8
57.07070	2.9
58.87005	2.0
62.06073	7.7
64.13245	2.1
67.05172	2.6
67.05506	27.7
69.03403	2.4
69.07072	17.7
71.08630	100.0
72.00089	1.8
79.05494	19.4
79.34188	1.8
81.07059	53.9
83.04960	4.6
83.08640	11.5
85.06532	2.5
91.05475	25.8
93.07035	17.6
95.08610	31.9
97.06528	6.5
97.10155	6.9
99.08091	79.1
105.07050	17.1
107.08601	13.1
109.06547	3.1
109.10126	8.9
111.08070	3.0
117.07009	5.1
119.08556	15.6
121.10103	11.5
123.11684	7.2
131.08571	7.4
133.06477	2.5
133.10097	3.6
135.11682	5.6
137.13268	4.7
143.08615	2.0
145.10135	7.1
147.11688	43.6
149.09589	2.7
151.11212	2.7
153.12752	9.3
157.10197	1.8
159.11638	2.6
161.13199	4.5
163.11211	8.2
163.14815	15.1
165.12756	14.8
173.13272	5.0
177.16405	2.9
181.15901	5.2
187.14857	3.2
233.22798	2.9
234.06938	2.0
235.10667	2.3
235.84515	1.9
236.07896	2.6
243.21133	8.3
251.10178	4.7
251.23802	2.4
261.22125	18.0
266.12634	11.2
279.23175	39.0
280.23523	2.3
297.18454	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	297.2423
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
53.03940	4.7
55.01859	10.9
55.05511	70.8
57.03428	8.9
57.07061	13.0
67.05503	100.0
69.03432	9.8
69.07066	62.6
71.05004	5.3
71.08629	12.0
79.05495	53.2
81.07056	97.0
83.04974	11.3
83.08614	39.8
85.06514	7.0
91.05495	18.7
92.16874	3.0
93.07039	48.4
95.08604	64.2
97.06527	18.9
97.10177	46.7
99.08083	4.7
102.90884	3.1
105.07069	14.4
107.08604	36.7
109.10149	45.7
111.08078	7.6
117.07013	4.6
119.08575	14.7
121.10139	14.0
123.08089	3.8
123.11730	15.3
125.09651	34.7
131.08549	8.1
133.10121	7.0
135.08040	7.2
135.11674	31.2
137.09592	3.9
137.13260	12.8
138.93268	3.3
143.08536	3.6
145.10179	5.5
147.11679	8.3
151.11163	4.0
151.14801	3.5
153.12749	12.9
159.11676	5.9
161.13237	5.5
163.14774	3.2
173.11798	6.4
173.13246	4.9
175.14760	3.3
177.16353	3.1
179.14272	3.1
183.13849	7.6
187.14766	3.9
189.11186	17.9
191.40524	3.2
209.15416	3.4
223.16748	5.0
235.10751	7.0
236.07912	5.7
243.21030	4.3
251.10275	6.9
261.22095	25.2
266.12674	14.5
279.23184	53.0
297.24341	4.0
297.29706	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	297.1848
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
55.01871	3.3
55.05510	7.6
57.07072	5.1
62.38302	1.1
65.03952	1.3
67.05505	9.2
69.03417	3.9
69.07063	15.8
71.21384	2.1
71.21706	1.9
79.05499	14.0
79.61854	1.3
80.55309	1.2
81.07066	15.4
83.04996	3.4
83.08614	2.5
85.02924	2.0
85.06500	1.6
85.10178	2.0
91.05478	23.5
93.07048	20.1
94.07487	1.6
95.04987	4.3
95.08609	15.6
96.08139	2.6
97.06538	1.2
97.10172	2.1
103.05474	3.5
105.07034	24.1
107.08614	14.2
109.06540	4.3
109.10166	9.0
111.08080	2.5
113.09637	3.6
115.05462	4.8
117.07007	16.1
119.08594	21.4
121.06509	3.0
121.10152	26.2
123.08063	4.7
123.11703	16.5
128.06215	8.4
129.07011	19.6
131.08569	15.1
133.06482	18.2
133.10127	12.4
135.08011	5.0
135.11734	4.0
137.09616	2.9
141.06993	5.7
142.07759	3.6
143.08553	22.0
145.06522	4.6
145.10136	15.3
147.08038	9.3
147.11632	3.9
147.39763	1.4
149.09610	5.7
149.13274	1.6
151.11176	6.2
153.07005	4.6
153.09074	2.1
154.07777	3.5
155.08527	10.7
156.09398	2.2
157.10136	10.7
159.04414	1.6
159.08098	5.6
159.11696	6.3
161.05975	21.3
161.09639	5.2
163.11249	1.9
165.07047	3.8
165.09177	1.4
166.07768	2.1
167.08536	8.6
168.09363	2.0
169.10129	22.8
170.10880	3.1
171.07977	1.7
171.11690	7.7
173.09676	5.5
173.13268	3.2
175.07501	2.5
175.11253	3.3
177.09145	3.0
179.08536	3.3
179.10606	1.4
180.09311	3.1
181.10127	17.9
181.12253	2.5
182.10854	3.0
183.08083	5.6
183.11711	11.7
184.12457	2.5
185.09634	5.2
185.13260	2.5
187.11169	6.4
189.08998	1.3
189.12791	3.6
192.09195	1.3
193.10162	3.3
195.11659	15.8
196.12491	2.7
197.09618	3.3
197.13210	8.0
199.11157	7.0
199.14885	1.8
201.09122	2.9
201.12784	5.5
205.10321	1.7
207.08171	1.6
207.11719	2.5
208.12511	1.8
209.09619	3.6
209.13197	9.5
211.11147	2.4
213.09346	1.4
213.12767	4.2
215.10748	2.9
219.11650	2.3
221.09877	1.3
221.13252	3.3
222.14038	3.2
223.11270	2.5
223.14784	4.7
225.12849	1.4
225.16327	2.5
227.10675	4.2
227.17979	2.3
235.14859	2.9
237.12788	3.2
237.16359	23.7
238.16992	1.9
239.14415	2.7
241.12274	2.7
241.19482	2.1
251.10440	2.1
251.14165	1.9
251.17975	7.8
251.22188	2.7
253.15907	4.0
255.13759	1.7
255.17537	5.7
261.16476	3.7
264.15164	2.2
266.12628	5.4
269.18988	18.2
279.17432	18.9
282.16150	2.2
297.18552	100.0
297.22403	12.2
298.18927	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	297.1848
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
55.01868	5.0
55.05277	2.5
55.05505	16.9
57.03434	4.0
57.07067	6.2
63.45840	1.9
65.03946	2.3
67.05502	17.0
68.41214	2.2
69.03423	16.8
69.07069	35.0
69.27898	17.4
69.28309	7.1
71.05020	2.6
72.08144	2.1
79.05495	17.0
81.07051	26.7
83.04961	6.0
83.08613	8.1
85.02894	4.1
85.06537	4.5
88.36062	2.1
91.05476	49.0
93.07045	27.6
95.04973	6.8
95.08601	23.9
97.02879	20.3
97.06519	4.0
100.89968	2.0
103.05459	3.4
105.07024	39.3
107.04956	4.8
107.08604	17.7
109.06514	6.9
109.10159	11.0
111.04414	5.1
111.08108	3.1
111.11711	5.4
115.03963	7.2
115.05499	3.8
116.06291	2.2
117.07001	39.7
119.08581	64.9
121.06496	5.5
121.10157	14.8
123.04440	3.7
123.08104	3.4
123.11721	6.4
124.82005	2.2
125.05939	2.4
128.06227	6.2
129.06985	19.7
130.07782	9.9
131.08548	46.3
133.10124	100.0
135.08047	6.9
135.11696	7.3
136.06210	6.7
137.09590	3.9
137.13281	2.9
140.01392	2.5
141.07004	10.2
142.07800	8.0
143.08556	19.1
145.06511	2.6
145.10115	73.4
147.08022	20.5
148.19991	2.4
149.05923	3.2
149.13252	3.9
153.07007	4.4
154.07784	7.0
155.08566	16.6
156.09329	7.0
157.10147	22.7
159.11690	50.7
163.23666	2.1
165.07007	8.2
165.09140	7.4
166.07753	5.5
167.08537	16.0
168.09351	11.1
169.10120	45.2
170.10939	7.6
171.11726	9.5
173.66077	2.1
177.09084	3.2
179.08591	8.7
179.10681	3.5
180.09361	5.0
181.10100	22.6
182.10921	28.0
183.08107	2.9
183.11659	30.0
184.12346	4.3
185.09689	4.4
193.10202	7.6
194.10915	5.2
195.11678	63.2
195.13402	3.3
196.12517	5.5
197.13254	79.0
197.15027	4.0
199.11232	2.6
203.10683	3.6
207.11729	14.2
208.12517	6.7
209.13260	39.9
209.15115	3.8
209.17387	4.1
210.13980	4.4
211.14906	4.8
213.12753	2.4
215.10666	5.4
217.12370	3.8
222.14116	9.9
223.14761	23.8
227.10722	6.2
229.12267	2.5
231.10107	4.3
235.14952	3.8
237.09100	6.6
237.12788	4.7
237.16364	68.6
237.18640	4.2
238.17012	2.5
241.12274	12.4
242.13036	2.9
251.10619	2.8
251.17993	9.4
255.13800	5.5
265.08746	7.7
266.12616	4.7
269.15451	4.3
279.12381	3.1
279.17520	5.9
297.11353	7.6
297.18564	90.6
297.21896	3.3
297.27710	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	297.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01871	4.6
55.05503	3.5
57.03432	1.8
65.03923	2.2
67.05495	4.8
69.03426	9.9
69.07071	1.4
70.06579	3.2
71.01348	3.0
71.04980	1.4
71.57539	1.2
72.07813	0.9
72.08147	5.8
79.05491	8.0
81.03400	1.3
81.07048	4.6
83.04957	1.0
84.08155	4.6
85.02909	5.2
86.09698	2.7
88.04001	0.9
91.05474	60.9
93.03411	0.9
93.07037	33.3
95.04974	5.5
95.08591	5.9
97.02887	25.3
97.06523	0.8
103.05454	4.8
104.06246	1.9
105.03400	1.9
105.04472	1.5
105.07030	8.3
107.04942	3.3
107.08581	2.6
109.06516	2.8
109.10163	3.4
111.04439	2.1
114.10276	0.9
115.05440	1.6
117.07010	15.4
119.04943	1.2
119.08574	100.0
119.49324	0.9
120.08193	1.9
120.08918	1.0
121.06510	5.8
121.10107	1.4
123.04409	2.0
123.08074	3.0
124.03944	2.0
128.06238	2.2
129.06961	6.6
129.10204	1.4
131.08588	1.5
133.10155	1.7
135.08055	7.1
136.06174	20.4
136.07254	1.6
137.09595	4.5
139.03828	0.9
143.08598	2.1
147.04411	1.7
147.08038	54.5
151.03935	1.1
151.07474	0.9
157.10046	1.1
161.09608	3.5
165.05487	1.0
165.09109	6.6
167.08311	1.6
175.85121	1.0
183.10167	1.2
185.09677	1.8
187.07440	1.1
189.09093	1.1
203.10680	1.4
208.12532	0.9
209.07065	1.2
213.09134	1.1
216.10194	1.8
220.09721	1.4
231.10100	4.6
237.09090	1.0
251.10837	1.8
265.08521	1.4
266.12576	2.6
279.16809	0.9
297.03586	1.1
297.10703	1.7
297.13528	3.0
297.18402	2.7
299.06207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05864	0.5
50.33484	0.5
53.03943	0.7
55.01872	0.6
55.05503	2.9
56.05048	0.6
57.03436	1.0
57.07054	0.7
58.06603	2.8
60.43267	0.6
63.84937	0.6
67.05498	6.6
69.03426	4.6
69.07074	3.3
69.72722	1.7
69.73132	2.5
70.06594	1.2
71.04981	1.8
72.08150	100.0
79.05483	8.5
81.07047	7.1
82.06580	0.8
83.04981	2.7
83.06882	0.6
83.44234	0.5
84.04501	5.6
84.08148	2.0
90.25669	0.7
91.05470	4.1
93.07034	13.4
95.04980	1.9
95.08646	1.4
96.08123	1.0
97.06536	1.0
98.06051	12.6
102.05526	1.3
105.07028	3.6
107.08585	6.7
109.06487	0.7
109.10176	2.3
110.06041	1.9
112.07588	1.4
112.10470	0.6
112.11234	3.4
112.11945	0.8
119.08563	0.9
121.10138	16.9
122.10477	0.9
122.29771	0.7
123.08070	0.8
123.11720	0.7
124.07568	3.3
129.13838	0.7
130.05034	1.7
131.08517	0.9
133.10155	4.1
138.09129	3.4
139.09885	0.9
148.05975	1.6
149.09618	2.4
151.11205	2.0
162.12706	0.6
180.13809	8.5
203.32701	0.6
208.16953	93.8
209.17340	1.8
225.19600	12.3
234.10284	1.5
235.07578	1.6
239.15350	0.6
250.09821	3.0
265.12195	4.3
279.24307	32.6
280.24765	0.8
293.12979	0.6
296.14963	1.0
296.26938	31.4
297.27032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1084
Annotation	Aspartyltyrosine
Peak:m/z	Relative Intensity
52.34174	1.8
53.03946	2.6
55.01866	2.0
56.05049	1.8
56.96554	5.7
57.03427	3.5
60.04499	1.6
61.01142	3.1
67.05492	4.0
69.03430	4.8
69.07063	2.8
70.02934	5.7
70.06588	8.9
71.04983	3.8
71.08633	1.8
71.56800	2.9
72.08154	5.8
79.05476	2.7
81.03407	2.8
81.04527	6.9
81.07057	4.2
82.06575	1.9
83.06100	2.0
83.08643	1.7
84.04492	4.0
84.08149	10.0
85.02900	3.5
85.03556	2.1
85.04033	36.7
88.03990	52.6
91.05447	25.0
91.58994	1.7
95.04958	7.2
95.06092	6.8
95.08629	2.4
97.02864	3.0
98.02397	5.1
98.97570	2.2
106.40932	1.7
107.04955	24.6
107.08554	1.8
109.02855	1.9
110.07155	7.5
116.98627	3.1
118.06512	1.9
119.04938	37.2
119.08579	3.0
120.08031	2.8
121.06486	2.1
122.07146	31.6
123.04426	44.5
123.07913	1.9
125.04570	1.9
126.12813	2.8
129.10223	2.6
133.07576	5.3
134.05942	2.2
134.99721	2.4
135.06808	8.5
136.06181	49.3
136.07561	100.0
136.69467	1.7
137.05956	4.2
137.07899	2.1
142.12270	3.8
145.06441	2.9
145.07585	5.6
146.06010	15.6
147.04408	17.5
156.07704	4.5
160.07602	4.5
163.08650	24.2
164.14188	1.8
165.05479	53.1
166.07207	2.0
173.06004	2.0
174.04292	1.9
182.08118	61.1
188.07135	4.2
191.08124	6.8
192.10181	1.7
193.13292	2.2
194.13747	2.0
198.05429	8.9
204.45392	1.6
206.08177	4.2
216.06567	19.3
219.07709	2.0
233.09232	8.3
234.07503	4.0
235.10799	2.4
237.08691	11.4
239.11534	2.5
251.10243	33.4
251.13966	2.6
256.94595	1.9
262.07187	16.5
266.12515	6.6
266.99847	3.9
269.10605	2.6
279.09488	2.3
283.02994	5.6
297.10361	12.5
297.14429	36.7
298.16547	7.8
299.06183	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	296.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56946	3.0
80.39165	2.4
142.32491	2.3
165.06973	2.5
178.07861	2.5
178.28662	2.0
179.08545	7.1
189.06995	4.7
190.07784	5.1
191.08574	10.1
202.07761	3.2
203.08586	8.6
205.10265	4.5
207.08044	12.0
217.06503	2.9
218.07233	7.3
219.08017	16.8
221.06023	7.3
221.09590	8.6
222.10303	3.3
233.09613	8.2
234.10376	42.6
235.07532	45.1
236.08180	6.2
249.09152	3.1
250.09920	47.6
265.12234	100.0
266.12732	4.3
296.16406	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03947	25.2
55.01865	12.0
55.05521	37.8
57.07071	8.3
61.02368	3.6
63.88533	4.1
67.05502	84.7
69.03442	22.0
69.07069	61.4
70.71133	7.8
70.71503	8.9
71.08620	7.7
79.05067	5.1
79.05490	58.8
81.03416	100.0
81.07056	63.3
83.04973	34.9
83.08611	13.2
85.06538	5.0
91.05498	34.7
93.07045	78.1
95.04967	50.0
95.08621	32.0
97.06506	6.0
97.10165	10.3
105.07014	22.9
107.08590	33.4
109.06510	10.5
109.10152	20.9
111.08056	7.0
113.09631	7.1
117.06981	4.9
119.08561	20.9
121.10169	32.7
123.08074	7.2
123.11720	10.1
124.37662	4.2
125.09599	6.3
131.08585	7.3
133.10158	24.2
135.11700	13.4
147.11670	16.6
149.09583	8.8
149.13240	9.3
151.11174	48.3
161.13261	17.3
163.14821	5.7
165.12741	19.5
167.63402	5.1
171.11739	7.7
185.13254	4.6
200.31982	4.6
207.13811	5.3
231.21045	8.9
241.19347	5.1
259.20563	12.7
265.12250	6.1
277.21625	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	17.0
55.62362	12.8
57.07057	22.3
59.07588	13.3
67.05497	24.4
69.07065	35.8
71.32507	19.0
71.32838	24.3
81.07043	42.0
82.84375	15.6
83.08636	22.8
91.05455	18.8
95.08602	45.6
97.10178	45.3
107.08591	30.8
109.10178	33.4
111.11736	17.3
123.11687	20.1
219.07994	20.8
234.10286	36.3
235.07492	31.0
245.22624	41.8
250.09845	57.4
263.23630	34.1
265.12219	100.0
274.62360	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	295.263
Annotation	METHYL LINOLEATE
Peak:m/z	Relative Intensity
53.03931	0.6
55.01869	1.3
55.05508	13.0
56.05012	0.5
57.03434	1.2
57.07071	4.3
59.04994	1.6
67.05503	11.4
69.03428	4.0
69.07063	100.0
70.07394	1.0
71.04993	1.0
71.08630	1.6
71.58102	0.5
71.58580	0.8
72.08130	0.7
79.05488	5.2
81.03437	0.8
81.07052	18.4
83.04977	2.3
83.08615	6.6
84.08144	5.3
85.02904	1.3
85.06548	2.7
85.10189	1.0
91.05466	3.9
93.07037	10.4
95.04973	1.9
95.08603	13.4
97.06508	3.5
97.10160	2.6
97.15354	0.5
98.09715	1.0
98.15513	0.5
99.08083	1.8
105.07030	4.4
107.04956	0.9
107.08595	7.1
109.06522	2.7
109.10149	12.9
111.08075	1.7
111.11715	25.6
115.07558	0.6
119.08582	3.1
121.06529	1.1
121.10140	10.9
123.08074	1.5
123.11697	6.2
127.11217	0.8
129.06972	0.6
129.12746	1.7
130.30928	0.5
131.08583	1.2
133.06520	0.6
133.10129	1.5
135.08069	1.3
135.11710	2.1
137.09608	1.2
137.13271	2.3
139.11159	17.3
139.12209	0.9
143.08568	0.8
145.10165	0.7
147.04462	0.6
147.07986	0.8
147.11734	1.4
149.09624	1.5
149.13263	2.2
151.07524	0.6
151.11191	1.0
151.14772	0.8
155.08702	0.6
157.10007	0.5
157.12247	1.9
161.13228	0.6
163.14799	0.7
165.12794	0.7
169.10170	0.5
175.14806	0.7
177.16360	1.0
193.15770	0.9
197.13257	1.0
206.11037	0.7
207.08144	0.5
208.17067	0.7
210.51692	0.6
234.10359	0.7
235.07523	0.8
250.09805	1.2
259.24152	0.6
265.12186	2.9
277.21979	0.7
277.25241	2.9
295.09631	0.7
295.16898	1.7
295.23108	1.0
295.26324	17.2
302.08145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03941	4.7
53.72614	1.3
55.01874	18.2
55.05267	1.8
55.05513	30.5
57.03436	6.7
57.07076	8.6
59.04987	2.8
65.03928	2.6
67.05504	39.4
69.03429	60.4
69.07068	17.8
69.51288	8.3
69.51701	2.1
70.03753	1.6
70.06584	5.2
71.01342	6.1
71.04993	6.6
71.08642	8.9
71.84550	1.6
75.48111	1.1
79.05495	40.5
81.03412	5.3
81.07057	46.4
83.04983	32.6
83.08623	13.9
84.08147	3.6
85.02906	21.8
85.06514	2.4
85.10172	5.7
87.04464	3.4
91.05479	30.9
91.06018	2.4
93.07044	100.0
94.07447	1.3
95.04975	17.9
95.08607	31.3
96.08123	3.0
97.06543	6.9
97.10162	5.7
99.08095	3.9
103.05482	2.2
105.07025	21.9
106.06527	1.5
107.04936	3.0
107.08590	26.6
109.06538	6.2
109.10156	10.1
109.81819	1.5
111.04454	13.1
111.08088	21.4
111.11784	1.6
113.07605	1.2
113.09647	2.5
117.07027	4.4
119.08574	13.4
121.06480	2.6
121.10146	66.4
123.08074	4.4
123.11662	7.3
124.07484	1.5
125.09622	4.1
127.07520	1.4
129.05481	11.4
129.06984	2.5
131.08560	10.7
133.10138	13.8
135.08087	2.3
135.11696	7.5
137.09593	2.9
139.11160	4.9
142.08643	16.6
143.08543	1.7
145.10136	5.5
147.08072	1.5
147.11670	8.0
149.09621	19.1
149.13261	6.4
150.09996	1.3
151.11180	7.0
153.12747	2.3
157.10123	4.2
159.11699	3.5
161.09665	1.5
161.13237	4.8
163.11240	2.6
165.12764	6.5
167.10695	3.3
169.18050	1.3
171.11676	2.6
175.11214	4.7
177.12837	1.5
179.14317	3.0
181.23924	1.2
184.07307	3.1
185.13286	1.4
193.12286	2.3
195.13789	2.8
207.13925	2.2
234.10400	3.1
235.07578	1.7
241.19510	2.2
250.09892	3.4
250.21669	11.0
259.20578	5.5
265.12289	5.3
267.24854	1.3
277.21643	31.3
295.15259	6.5
295.22635	25.9
296.22186	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.25637	3.2
53.03936	11.0
55.01872	87.1
55.05266	4.3
55.05513	56.4
55.05763	7.1
57.03431	6.7
57.07067	11.8
67.05505	51.0
69.03431	51.3
69.07063	29.4
70.45721	5.7
70.46119	11.8
71.01363	5.6
71.05001	8.1
71.08638	17.7
75.31914	3.4
79.05066	4.7
79.05490	44.9
81.03408	16.6
81.07056	57.3
83.04984	41.7
83.08611	29.0
84.08146	4.7
85.02908	22.2
85.06552	5.9
85.10175	11.6
91.05476	48.5
93.06474	6.6
93.07042	100.0
95.04948	22.5
95.08607	52.4
97.06532	23.7
97.10167	8.9
99.08087	15.7
105.07019	36.7
107.04974	6.1
107.08595	34.2
109.06522	11.2
109.10154	16.8
111.04448	12.3
111.08083	90.1
113.09657	12.4
117.07002	5.6
119.08562	19.3
121.06529	6.1
121.10150	70.9
123.08115	7.3
123.11737	7.1
129.05479	9.4
129.07019	6.1
131.08580	13.7
133.10130	29.6
135.11720	8.6
137.09671	6.3
137.13307	4.7
139.11189	10.5
143.08615	4.0
147.11699	20.9
149.09621	36.2
149.13245	13.6
151.11168	28.4
157.10204	5.6
161.13272	11.5
163.11218	11.4
165.12747	29.6
167.10648	6.3
171.11674	5.6
173.13289	4.1
175.11182	8.1
175.14722	4.2
179.14285	13.7
185.13315	7.3
207.13710	5.8
241.19566	5.1
249.22137	10.5
259.20584	15.3
277.21643	83.7
295.15463	5.0
295.22659	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.05511	56.1
66.81660	13.8
67.05515	95.6
69.03426	31.4
69.07066	41.7
70.01046	74.2
71.08632	50.9
79.05494	47.7
81.07052	99.1
83.04987	24.8
83.79095	14.1
91.05486	50.3
93.07035	100.0
95.04927	19.8
95.08598	67.4
96.73686	14.4
97.10126	15.4
99.08109	45.2
105.06987	31.6
107.08593	54.8
119.08537	32.8
121.10159	61.4
132.52493	13.2
133.10175	28.4
133.64325	13.5
135.11716	49.2
149.13164	17.0
151.11147	30.9
174.89368	14.8
179.14246	84.4
214.34848	13.1
277.12195	14.0
277.21655	28.9
281.28448	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	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.00314	1.2
53.03942	8.9
55.01875	6.4
55.05511	29.3
57.03421	4.2
57.07074	13.1
60.08157	2.1
65.03928	2.3
67.05503	39.3
67.05871	1.9
69.03425	21.1
69.06728	1.6
69.07068	20.1
69.64459	2.9
69.64876	4.7
71.01325	2.3
71.04993	5.6
71.08642	5.3
74.10718	1.0
75.84750	1.0
79.05489	34.4
81.03416	25.0
81.06587	2.4
81.07050	40.8
83.04978	22.6
83.08611	11.7
84.08140	1.6
85.02904	11.6
85.06533	1.8
85.10182	19.3
86.09694	4.6
89.88448	1.1
91.04894	1.6
91.05471	20.6
93.07039	47.3
95.04964	27.6
95.08601	18.5
97.02937	1.1
97.06540	5.3
97.10179	7.8
98.20805	1.9
99.08074	3.8
104.10725	11.1
105.07032	17.3
107.04948	4.1
107.08588	19.4
109.06511	7.4
109.10152	10.2
111.04436	5.0
111.08065	3.7
113.08876	1.7
113.09641	21.8
117.07017	3.1
119.08569	10.6
121.06443	1.6
121.10144	26.8
123.08072	7.0
123.11672	2.9
124.99997	3.0
125.09608	5.4
129.05476	3.8
129.07007	3.4
131.08562	6.7
133.06509	6.3
133.07426	1.4
133.10147	7.0
135.08116	1.9
135.11688	3.8
137.09554	2.0
137.13251	1.1
143.08641	1.8
145.10168	2.6
147.11694	5.3
149.09610	13.3
149.13235	2.8
151.11183	11.9
153.12747	2.2
157.10118	2.5
159.11879	1.2
161.13255	3.1
163.11229	2.9
165.12749	38.4
167.14326	1.4
171.11723	2.5
173.11818	1.5
173.13139	1.5
175.11269	1.4
175.14749	1.4
179.14293	7.6
181.12233	1.4
184.07327	7.0
185.13318	1.9
189.11238	3.1
207.13824	4.5
241.19463	1.2
249.22166	2.0
259.20447	5.1
277.21616	68.1
278.21890	2.1
295.15570	3.1
295.22678	100.0
296.22998	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	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03930	9.4
55.01866	26.1
55.05508	52.2
57.03419	6.1
57.07053	9.1
65.03925	3.6
67.05503	71.5
69.03426	46.4
69.07058	25.0
69.95541	15.6
71.01339	5.8
71.04975	8.7
71.08633	18.3
79.05487	56.0
81.03402	13.6
81.07050	66.0
83.04977	34.5
83.08610	27.0
84.03568	2.9
85.02904	15.6
85.06535	6.9
85.10168	3.2
91.05474	46.4
93.07037	100.0
93.07624	4.9
95.04959	20.7
95.08601	35.0
97.06513	12.4
97.10147	8.7
99.08083	15.7
105.07030	36.0
107.04951	4.5
107.08593	32.0
109.06500	9.7
109.10130	14.4
111.04437	9.5
111.08080	31.6
113.09636	5.5
117.07001	7.3
119.01624	2.9
119.08569	19.7
121.10137	51.4
121.76862	3.6
123.08031	8.4
123.11681	5.3
124.99951	3.1
125.09611	10.5
129.05444	7.2
129.07040	3.8
131.08533	8.5
133.10121	26.2
135.11664	14.7
136.81004	2.9
137.09579	4.7
139.11165	8.6
145.10158	3.6
147.11705	16.9
149.09624	21.4
149.13289	10.2
151.11201	19.4
152.71071	3.1
157.10185	7.6
159.11768	5.8
161.13242	9.4
163.11111	5.0
165.12737	12.7
167.10692	3.7
170.66966	3.2
173.13274	3.1
175.11093	4.4
175.14807	6.5
179.14270	9.2
185.13290	4.6
189.11150	5.1
195.13756	3.9
221.09398	3.3
232.43141	3.5
238.88683	2.8
241.19516	5.8
259.20563	8.8
265.12201	4.7
277.18823	4.7
277.21622	66.1
295.15295	4.3
295.22641	38.2
297.59656	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	295.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	1.1
55.05511	15.1
60.05650	5.5
61.30076	0.8
69.03445	1.0
70.06583	2.5
70.56986	0.9
71.02556	2.5
72.08158	17.6
73.04024	1.1
84.04483	1.7
84.08131	2.0
86.09685	1.3
89.10814	1.4
91.05475	3.5
97.07645	7.9
98.06057	46.6
103.05466	1.3
113.10744	3.1
114.09165	5.7
114.10294	28.7
115.08698	24.2
119.04942	14.4
120.08116	11.3
121.06503	4.8
122.06060	0.9
123.99099	0.8
124.39342	1.0
125.87786	0.8
129.46393	0.8
131.12936	1.3
145.06111	1.3
147.04411	100.0
147.32774	0.9
148.04825	2.1
148.05994	1.4
150.07822	1.0
150.92195	1.1
156.11415	4.3
157.10851	85.2
158.11105	1.3
173.13983	7.5
176.10759	0.8
206.09250	4.3
217.13347	9.0
218.11708	8.9
218.13165	0.8
235.14403	1.7
260.13956	18.3
261.14249	1.1
277.16617	23.9
295.17654	84.8
296.17892	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1651
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
54.28300	0.4
55.05500	1.2
56.05029	0.5
56.96535	0.5
57.07072	0.5
60.04513	0.7
60.05632	0.7
65.03935	0.4
67.05497	0.6
69.03418	0.6
69.07051	0.8
70.06593	2.3
72.08150	5.0
74.02443	0.8
79.05479	1.4
80.68149	0.4
81.03380	0.4
81.07061	0.8
84.04482	1.5
84.08133	4.1
85.02911	1.2
86.09706	7.5
88.03983	0.9
91.05479	28.3
93.07038	1.2
94.06561	1.0
95.08583	0.6
97.02917	0.5
97.06541	0.6
97.07638	0.8
98.06065	1.6
98.96416	0.4
103.05457	0.5
104.98347	0.4
107.04950	3.0
107.08587	0.4
109.06523	1.0
114.10299	3.0
115.08677	1.2
118.06508	1.2
119.04938	18.8
119.08575	1.4
120.08099	1.2
121.06499	3.6
123.04427	1.8
129.10283	0.9
130.05016	0.8
130.08664	0.9
132.10210	1.8
135.04448	0.5
136.07574	100.0
137.05971	0.7
137.07962	0.9
146.06009	1.5
147.04410	5.5
147.08006	0.6
148.04747	1.0
149.05971	0.5
150.07721	1.6
157.10851	1.5
159.03040	0.4
160.03346	0.4
163.03874	0.5
164.04277	1.2
164.07068	0.4
165.04323	1.0
165.05560	0.6
166.08749	0.6
174.96800	0.5
175.03979	1.0
193.04922	0.5
205.03429	1.0
206.03860	2.8
207.03049	1.0
207.06386	0.6
218.11836	0.7
229.21854	0.5
235.14473	1.0
236.12827	2.6
249.15987	1.1
250.14360	0.4
265.12247	0.7
277.16595	0.8
278.14288	1.3
295.09741	0.6
295.17474	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	295.165
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
53.63031	0.8
70.06595	1.6
72.08147	10.7
79.05444	0.8
84.04491	0.9
84.08136	4.5
86.09713	4.0
88.03970	1.7
89.03893	0.8
89.10796	5.7
91.05478	35.7
92.05817	0.9
93.07034	1.3
95.04948	0.9
97.07659	0.9
98.06028	1.3
98.97543	0.9
102.05547	2.1
103.05457	3.4
105.03428	0.9
105.07024	0.9
107.04928	0.7
114.10300	1.3
115.08665	1.4
119.04938	42.4
119.08566	1.0
120.05289	1.3
120.08105	27.1
121.06498	2.2
123.04420	2.0
129.10213	1.8
132.02075	1.2
135.04366	0.8
136.05255	1.0
136.07574	33.5
137.06003	1.3
145.02815	0.9
146.06015	1.4
147.04402	34.7
148.04765	3.3
148.05960	1.5
149.02379	0.9
157.03992	2.4
161.19092	0.7
164.04510	1.5
175.03905	51.4
178.31189	0.7
179.07050	2.8
207.06522	100.0
208.06966	1.3
217.13222	0.8
236.12802	2.3
250.10378	1.4
265.12173	0.9
278.13800	5.6
295.16498	12.9
296.16440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1289
Annotation	Aspartame
Peak:m/z	Relative Intensity
55.01853	0.7
55.05513	1.4
57.03419	2.4
59.06118	1.2
59.48777	0.6
59.74327	0.6
67.05481	0.6
69.03410	2.0
69.07058	0.7
70.02946	2.7
70.06590	0.8
71.04978	1.4
71.32076	1.1
72.08135	0.8
73.02911	1.7
74.30978	0.5
75.14224	0.6
77.03902	0.8
79.05495	7.5
81.03406	1.0
81.07072	1.1
83.06110	1.3
84.04507	0.8
84.08139	1.1
85.02894	2.1
86.09699	1.5
88.03996	16.2
88.04530	1.2
91.05482	19.3
93.07043	19.2
95.04960	2.4
95.08562	0.7
95.76466	0.6
97.02894	2.1
98.97592	1.0
101.07149	6.3
103.05457	6.6
105.07054	3.3
107.04964	0.9
107.08606	4.8
113.06001	0.6
115.03929	1.4
117.07005	1.4
119.07361	0.8
119.08575	3.8
120.08106	100.0
121.06503	10.2
121.08432	1.1
121.10139	20.4
123.11707	0.8
129.06522	3.9
130.05025	3.6
130.06499	7.4
131.04883	2.5
131.08542	0.7
135.08086	0.8
137.05948	0.6
144.08089	2.0
145.06461	0.8
147.07791	2.8
147.09140	0.7
149.09650	2.1
154.06474	0.8
157.06511	1.8
163.07523	3.9
166.07257	2.1
172.07545	3.5
175.08678	12.1
180.10204	30.2
181.10490	0.8
182.06017	2.5
189.10306	0.8
190.08614	2.1
200.07056	13.1
207.08051	0.7
207.14859	1.7
217.09836	2.5
218.08165	1.4
228.06644	1.3
235.10768	24.4
245.09250	2.5
249.16022	1.2
260.09204	6.0
263.10623	0.7
277.11771	1.0
277.15341	0.7
295.09650	1.1
295.12906	1.3
295.16534	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1813
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
53.03958	0.4
55.01863	0.5
55.05500	1.0
56.05037	4.3
56.96560	4.2
57.03442	0.7
57.07064	0.9
60.04532	0.7
61.02909	0.9
67.05510	1.8
68.05021	0.8
69.03436	2.5
69.07069	3.9
70.02944	0.4
70.06601	2.4
71.04991	0.6
71.57161	0.5
71.57582	0.6
72.08147	2.8
73.02911	1.3
74.06081	0.9
79.05487	0.7
81.03413	1.3
81.04508	0.4
81.07061	0.8
82.06576	0.6
83.04975	0.6
83.06102	0.7
84.04510	3.0
84.08143	100.0
84.96049	0.7
85.02909	3.7
85.04829	0.4
85.06533	0.8
85.08470	1.1
86.03196	0.4
86.06067	1.2
86.09710	3.9
87.04474	0.4
88.03983	1.8
88.99181	0.4
89.00679	0.3
91.05475	1.5
93.07059	0.8
93.64902	0.3
95.05006	0.7
95.06084	0.3
95.08591	0.4
97.02882	2.0
97.06556	0.4
98.06075	0.5
98.97579	2.2
99.04426	0.6
99.97980	0.6
100.07606	0.5
101.10793	2.8
102.05568	0.4
102.09184	0.4
103.05458	0.4
107.04946	0.4
109.02886	0.7
110.06087	0.4
110.07186	1.1
112.04003	0.4
112.07587	0.7
112.08762	0.5
114.05565	0.4
114.10278	0.6
115.02291	0.4
115.07559	0.7
116.98610	2.8
117.99034	0.4
119.01784	0.5
119.04942	0.8
120.08112	7.3
126.99405	0.4
127.03908	1.0
128.10710	0.4
128.98598	0.6
129.01038	0.4
129.10242	12.6
130.04970	0.4
130.08656	2.5
132.10217	1.3
133.06447	0.4
134.99654	2.2
135.04465	0.5
135.99901	0.4
136.04807	0.4
136.07616	1.4
137.05978	0.6
137.07973	0.5
140.07011	0.4
143.00131	0.6
144.10274	0.5
145.05043	0.8
145.06244	0.4
146.06094	0.4
146.99658	0.9
147.03191	0.4
147.04416	1.1
147.11276	4.1
149.01245	0.5
150.05624	0.4
153.00827	0.5
154.08618	2.5
158.99619	0.6
161.01219	0.8
161.06934	0.4
162.05338	0.3
163.02786	0.8
163.03967	1.8
164.04193	2.5
165.00722	1.0
165.06543	0.3
166.08685	1.0
168.01753	0.4
169.80214	0.3
177.00734	0.9
185.07135	0.6
186.02852	0.4
189.00766	0.7
190.98688	0.4
197.07272	2.8
201.00809	0.5
203.08206	0.5
205.03915	0.4
205.09801	1.0
212.12897	0.3
213.03404	0.5
213.53575	0.3
219.01900	0.7
223.01259	0.7
223.04990	0.6
230.13916	1.4
237.02829	0.6
247.16756	0.4
250.12885	0.4
258.13449	1.1
259.14380	0.7
269.05493	0.4
270.05844	1.0
276.14352	1.5
276.17148	0.5
277.12082	0.7
277.15549	4.1
288.06799	0.5
294.05933	0.5
294.10114	0.6
294.18610	4.2
295.12906	2.0
295.18115	0.5
306.06476	0.4
312.06912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.4
56.05027	3.0
56.96547	3.9
57.03434	2.4
57.07069	6.0
57.14475	1.9
60.04524	3.3
66.73196	2.0
67.05514	4.3
68.05023	4.7
68.43640	2.1
69.03413	4.9
69.07069	28.9
70.06586	7.5
71.04979	2.9
71.56776	2.2
72.04518	13.0
72.08141	7.3
73.02903	3.7
73.08485	3.2
74.06076	2.8
79.05477	3.3
81.07052	8.2
82.06585	2.4
83.04977	2.2
83.87042	2.0
83.96803	1.8
84.04504	15.2
84.08128	19.3
85.02886	7.5
85.06461	2.4
86.02426	4.3
86.06082	3.1
86.09704	45.3
88.03998	18.2
91.05485	5.5
93.07024	2.7
94.02952	2.4
95.05004	2.8
96.04480	4.8
96.08125	5.1
97.02900	3.7
98.09660	3.5
102.04871	2.3
102.05545	47.5
103.03912	4.1
114.05482	2.6
114.10281	3.6
115.07590	4.6
115.10625	2.1
116.07060	3.5
116.98579	3.2
118.05002	6.3
119.04961	5.9
120.08099	12.4
126.05544	3.0
126.06661	7.2
126.99485	3.2
128.07126	2.6
128.10707	34.6
129.01007	2.6
129.10234	5.0
130.04973	3.8
132.10220	22.1
133.04341	2.1
135.04440	3.5
136.06204	4.2
138.09178	2.7
141.01065	4.4
146.04512	4.3
147.04416	11.5
152.10680	2.8
158.11751	9.3
160.06096	2.9
162.07680	37.9
163.03934	10.2
164.04291	12.2
166.08626	4.1
170.11763	5.0
174.11272	18.1
188.12808	17.9
197.07286	14.8
204.06592	2.3
205.03499	3.9
216.12343	6.1
230.13907	11.6
234.13358	13.9
235.31053	2.0
243.49850	2.4
248.14937	100.0
294.10107	4.2
294.15442	60.7
294.18808	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	293.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27901	2.4
53.03938	3.4
55.01869	4.1
55.05507	13.6
57.07053	3.3
61.95372	1.9
63.85600	2.0
65.03947	2.4
67.05507	66.5
69.07067	15.9
70.24843	4.7
70.25243	4.3
76.45874	2.1
79.05496	25.3
81.03399	4.2
81.07059	100.0
83.08614	9.2
85.06522	2.7
91.05471	9.1
93.07051	19.2
95.04964	7.5
95.08614	53.9
97.06519	3.9
97.10152	3.1
99.08101	2.3
105.07011	9.7
107.04939	7.8
107.08614	12.9
109.06528	9.9
109.10142	19.8
111.08088	3.6
117.07022	4.3
119.08581	9.6
120.85187	2.0
121.10154	12.9
121.19816	2.0
122.04147	2.1
123.08074	4.6
123.11693	5.3
126.74153	2.3
131.08574	9.1
133.10110	5.2
135.08014	3.9
135.11656	7.5
137.09644	2.9
137.12321	2.4
137.13264	4.9
145.10097	7.8
147.07993	3.1
147.11681	8.9
149.09590	6.1
149.13275	3.7
151.14894	2.8
159.11655	3.7
163.11157	3.1
163.14824	3.9
177.12706	2.9
257.18964	2.4
261.22147	2.6
275.20078	11.9
293.21158	6.4
293.24734	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.42163	3.3
53.03950	4.3
55.01863	8.7
55.05511	35.3
57.80412	3.4
66.49278	3.3
67.05504	100.0
69.03410	4.9
69.07077	23.7
71.04962	4.8
71.58286	4.8
75.46944	3.6
79.05487	40.4
81.03407	11.8
81.07053	89.8
81.07521	6.5
83.04954	5.4
83.08615	31.8
91.05467	26.7
93.07043	32.7
95.04975	29.5
95.08608	66.0
97.06525	4.1
97.10158	13.6
105.07016	17.3
107.04950	10.4
107.08610	22.8
109.06506	7.8
109.10157	33.5
111.08058	9.0
117.07040	7.7
119.08585	19.3
121.06495	6.9
121.10124	15.2
123.08092	4.6
123.11687	17.7
125.09618	8.8
131.08577	14.3
133.10115	10.6
135.11702	13.4
137.09589	5.8
145.10133	13.5
147.08043	5.3
147.11681	7.6
149.09641	28.3
149.13177	6.0
151.11118	4.0
151.14804	5.1
159.11687	11.5
161.13295	3.6
163.03893	10.1
163.11197	17.4
163.14818	4.2
168.01030	3.7
173.13243	11.4
187.11237	6.3
189.11308	3.9
197.13281	4.1
223.13191	7.7
229.19609	3.8
239.18004	5.0
243.20903	3.9
257.19077	4.7
274.74438	4.4
275.20108	37.5
293.21103	48.6
293.24463	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.66998	0.3
53.03932	0.7
55.01860	1.0
55.05509	3.4
57.03438	0.4
57.07060	1.7
65.03934	0.7
67.05497	5.1
69.03456	0.5
69.07059	2.6
70.63970	0.7
71.04965	0.8
71.08635	2.0
71.96803	0.4
79.05486	5.2
81.03391	1.6
81.07048	5.1
83.04967	1.2
83.08640	1.7
83.09052	0.4
85.02882	0.4
85.06526	0.5
91.05063	0.3
91.05489	3.6
93.07044	3.9
95.04964	9.7
95.08607	2.1
97.06519	1.0
97.10149	0.6
98.21352	0.4
99.08074	1.1
104.14369	0.3
105.07032	3.1
107.04953	5.4
107.08600	2.1
108.05736	3.0
109.06523	3.1
109.10167	0.4
111.04430	0.6
111.08079	0.5
117.07010	1.0
119.08576	2.4
121.06502	7.9
121.10117	1.3
123.08081	0.9
125.09611	0.8
131.08539	0.9
133.10101	1.5
135.08061	1.9
135.11609	0.4
143.08591	0.4
145.10106	1.1
147.08064	1.0
147.11632	0.8
149.09592	1.9
151.11157	1.6
153.05565	0.5
159.11713	0.7
163.03905	0.7
163.11157	1.6
164.11969	0.7
165.12747	4.7
177.12743	1.4
177.47568	0.4
181.04956	0.6
191.10481	0.5
200.84013	0.4
205.12210	0.5
209.11763	0.9
218.70877	0.4
223.13258	1.5
236.13986	0.5
237.11217	1.4
237.14830	0.9
275.20041	2.9
293.21091	100.0
294.21515	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.28167	1.3
53.03947	2.2
54.61102	1.2
55.01863	5.3
55.05504	13.0
57.07053	1.4
65.03936	2.2
67.05499	28.5
68.26495	1.2
69.03456	1.2
69.06724	1.7
69.07066	20.1
69.32697	13.0
71.04988	3.1
73.19662	1.4
79.05489	18.5
81.07057	30.0
83.04983	7.2
83.08617	3.9
85.06519	2.1
91.05477	19.6
93.07042	24.0
95.04967	10.1
95.08601	17.4
97.06519	4.6
97.10162	2.4
105.07024	25.7
107.04945	6.9
107.08588	15.0
109.06510	9.6
109.10146	6.8
111.08050	1.6
117.07014	6.2
119.08560	12.9
121.06485	10.8
121.10139	9.6
121.19632	1.2
123.08048	5.2
123.11685	4.1
125.05923	1.4
129.07025	2.0
131.08574	14.3
133.06491	3.3
133.10132	18.1
135.08018	4.2
135.11671	4.0
137.09558	3.2
143.08560	2.1
145.06442	1.8
145.10112	11.4
147.08015	4.7
147.10612	1.7
147.11694	12.9
149.09641	7.0
149.13176	1.3
151.11215	7.1
157.10126	3.1
159.11679	6.4
161.09627	2.4
161.13263	3.8
163.11162	4.4
171.11729	2.5
171.41238	1.2
173.09663	2.1
173.13254	5.7
175.11134	1.4
183.11656	1.5
187.11115	1.8
191.14255	2.6
201.12711	3.1
207.13811	3.2
215.14304	1.7
219.13817	4.9
229.19531	2.4
239.17966	3.6
247.20576	2.9
257.18979	15.3
275.20059	100.0
276.20374	2.3
293.21091	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	6.0
55.01877	7.6
55.05506	18.9
57.03428	2.5
65.03922	1.8
67.05502	41.3
69.07066	18.9
70.39162	6.7
71.04996	3.7
79.05061	2.8
79.05493	40.2
81.03400	10.3
81.07055	100.0
83.04987	3.8
83.08611	17.8
85.06535	2.2
91.05477	25.2
93.07041	23.9
95.04969	19.7
95.08602	22.9
97.06514	6.1
97.10144	2.8
99.08081	2.2
105.07028	24.8
107.04943	10.7
107.08597	16.0
109.06518	44.7
109.10149	11.5
111.08073	5.4
117.06978	7.8
119.08589	19.9
121.06496	6.2
121.10137	11.2
123.08056	10.8
123.11736	5.0
125.09648	2.1
129.06955	2.5
131.08575	9.8
133.06531	2.2
133.10141	15.3
135.08060	4.4
135.11682	8.4
137.09616	6.4
142.51477	1.4
145.06511	2.0
145.10120	12.4
147.08095	3.1
147.11668	19.0
149.09641	10.9
149.13280	5.8
151.11188	4.9
155.08578	2.5
157.10081	4.0
159.11667	7.1
161.09656	1.9
161.13203	2.7
163.11150	12.2
165.12816	4.7
171.11757	1.8
173.09592	2.8
173.13228	1.8
175.11194	2.6
175.14905	2.3
177.12714	3.6
183.11642	1.8
187.11084	2.5
193.12283	3.3
197.13248	1.5
201.12704	2.9
207.13715	2.0
229.19551	2.9
239.17923	4.5
246.17833	1.9
247.20668	5.8
257.19028	5.5
275.20047	65.7
293.21103	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01865	27.1
55.05516	34.5
67.05509	48.2
69.03419	4.9
69.07063	23.6
69.46928	37.3
79.05495	57.9
81.03397	11.4
81.07061	54.4
83.04959	9.0
83.08624	18.6
91.05478	36.3
93.07047	39.8
95.04954	10.6
95.08617	26.2
97.06554	21.1
97.07063	3.7
97.10151	22.2
97.18069	4.0
105.07032	39.6
107.04933	12.5
107.08594	85.2
109.06496	13.1
109.10169	19.1
117.06990	9.4
117.73163	3.8
119.08600	25.3
121.06495	4.5
121.10142	11.2
123.08100	6.2
125.09610	15.9
129.06987	6.8
131.08551	17.1
133.10112	22.5
135.08061	8.5
135.11671	13.0
137.05945	20.6
137.09573	6.0
145.10083	14.1
147.11629	15.1
149.09612	27.8
151.11148	8.8
157.10182	3.7
158.55537	3.5
159.11671	8.9
160.21158	3.5
161.13275	8.4
163.11179	5.4
165.09100	12.8
173.13240	6.0
189.11223	10.5
229.19643	4.7
239.17969	7.5
247.20491	8.5
257.18991	12.9
275.20062	100.0
276.20251	4.7
276.68549	4.8
293.21130	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	6.1
54.16177	1.5
55.01873	9.1
55.05511	29.8
57.03437	3.7
57.07083	8.1
65.03943	2.1
67.05505	50.1
69.03445	3.0
69.07065	32.7
69.51739	12.8
71.04996	5.6
74.23196	1.4
79.05492	45.6
81.03421	7.0
81.07053	100.0
83.04986	7.5
83.08621	13.3
85.02885	2.2
85.06516	3.9
91.05483	39.2
93.07040	40.4
93.19152	1.5
95.04969	25.8
95.08605	33.4
97.06523	7.0
97.10171	3.8
103.05450	1.9
105.07027	41.5
107.04956	6.7
107.08585	24.9
109.06509	20.4
109.10147	26.4
111.04433	2.4
111.08078	6.0
115.07544	3.6
117.07013	12.1
119.08578	37.5
121.06503	8.7
121.10139	15.9
123.08082	10.7
123.11715	6.6
125.09612	2.5
129.01102	1.9
129.06998	2.6
131.08574	14.3
133.06418	2.3
133.10138	26.7
135.08038	7.0
135.11693	7.1
137.09596	10.5
141.01073	2.8
143.08565	3.3
145.10132	10.2
147.08020	8.3
147.11700	14.0
149.09595	8.7
149.13255	3.2
151.11171	10.3
155.08545	3.9
157.10139	3.6
159.11696	8.6
161.09689	2.7
161.13234	4.3
163.11172	7.9
163.14769	2.1
165.12733	3.5
169.10124	3.3
171.11768	2.4
173.09584	1.9
173.13292	4.2
175.11124	3.2
177.12852	2.7
183.11693	1.7
197.07298	8.7
229.19481	3.0
239.17787	1.6
247.20604	6.1
257.18951	6.8
275.20038	47.2
293.13873	1.7
293.21094	41.6
293.28275	1.9
294.10172	2.8
305.26959	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03957	4.5
55.01861	9.7
55.05511	70.9
57.03413	4.1
57.07070	3.8
59.05009	2.1
65.03908	2.8
67.05173	3.4
67.05508	44.2
69.03414	5.8
69.07067	16.1
70.02523	11.4
71.04987	4.5
74.34621	2.2
79.05492	55.0
81.03407	8.7
81.06652	3.0
81.07064	36.8
83.04973	11.2
83.08618	32.7
83.09068	4.1
85.02894	3.5
85.06537	5.1
91.05486	37.2
93.07047	43.0
95.04971	75.8
95.08621	24.3
97.06536	5.2
97.10172	34.0
98.21426	2.6
105.07039	28.7
107.04956	14.2
107.08600	51.5
109.06514	9.7
109.10167	14.1
111.04429	3.6
111.08087	7.2
117.07052	12.3
119.08569	28.1
121.06489	7.6
121.10128	19.0
123.08047	6.2
123.11674	6.4
125.09628	26.8
129.06999	4.8
131.08548	21.5
133.10135	14.2
135.08051	10.0
135.11684	8.4
137.09607	3.7
143.08597	4.0
145.10133	18.1
147.08023	8.8
147.11667	9.7
149.09627	79.3
151.11121	2.8
153.09137	3.5
157.10129	3.2
159.11717	14.3
161.09621	3.8
161.13260	5.2
163.11179	26.1
165.12817	3.3
169.10120	2.3
171.11679	2.3
173.11801	3.7
173.13254	4.6
177.12711	5.6
189.11211	14.3
189.12773	3.8
197.13295	2.8
205.12285	4.5
209.11813	5.6
217.57576	2.5
223.13293	27.0
229.19493	3.4
239.18138	2.4
247.20738	5.8
257.19019	11.4
275.20053	100.0
276.20566	5.4
293.21124	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.69959	2.9
53.03934	7.6
55.01874	19.5
55.05504	27.9
56.36535	4.2
57.03431	11.2
67.05499	48.9
69.03420	4.4
69.07069	30.9
70.12543	8.0
70.12959	9.5
70.30161	3.2
79.05491	61.2
81.03408	10.2
81.07050	63.4
82.12857	3.7
83.04967	12.5
83.08607	19.0
87.12366	3.3
91.05480	51.3
93.07042	51.1
95.04955	20.5
95.08600	28.0
95.09138	3.9
97.06536	24.8
97.10172	14.0
103.05450	3.8
105.07028	45.0
106.06237	3.7
107.04951	15.4
107.08585	74.9
109.06514	16.0
109.10137	14.1
117.07005	15.2
119.08555	39.9
121.10152	23.7
123.08044	6.7
123.11653	6.2
125.09612	13.7
129.07005	5.9
131.08556	15.9
133.10104	26.2
135.08044	9.0
135.11703	12.0
137.09605	7.1
143.08575	3.8
145.10109	20.0
147.07990	8.7
147.11696	18.4
149.09619	29.2
151.11176	14.6
159.10509	4.0
159.11659	20.3
161.13287	4.5
163.11188	7.6
165.09122	14.6
169.10069	5.2
171.11771	6.2
173.13278	6.5
175.11293	4.7
177.12779	9.3
183.11580	3.6
185.13239	8.7
187.11104	5.2
189.11208	5.0
203.14290	5.0
219.17419	19.2
229.19615	7.0
239.17966	6.4
247.20634	8.1
257.18997	15.9
275.20041	100.0
293.21100	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	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03941	4.5
55.01868	10.0
55.05509	63.7
55.24214	2.4
57.03442	3.6
67.05505	34.8
69.03421	5.0
69.07076	12.4
70.12541	9.7
71.04998	3.7
71.43980	2.3
79.05488	80.4
81.07053	35.8
83.04979	7.8
83.08621	21.6
91.05488	28.4
93.07044	37.9
95.04972	10.8
95.08628	13.7
97.06546	5.4
97.10171	32.7
105.07019	25.7
107.04945	44.0
107.08581	58.4
109.06524	4.9
109.10147	18.7
116.17855	2.3
117.07021	9.1
119.08575	22.7
121.06512	4.9
121.10111	14.8
123.11711	8.7
125.09624	36.0
131.08594	8.8
133.10121	22.8
135.08046	8.3
135.11728	3.4
137.09621	3.0
145.10104	12.2
147.11697	13.1
149.09613	94.7
153.09125	5.3
159.11710	7.3
161.13293	5.8
163.11169	4.0
169.12285	4.7
171.11653	3.3
173.11766	5.1
173.13312	6.9
183.11740	2.8
187.13327	3.2
189.11197	26.7
191.14265	3.0
194.26694	2.3
229.19504	9.3
239.17998	2.9
247.20541	3.8
257.18970	25.0
275.20062	100.0
276.20364	3.8
277.33472	2.8
283.67923	2.5
293.21133	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	293.2109
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03935	0.4
55.01876	1.2
55.05509	3.1
57.03401	0.2
57.07062	0.7
58.28624	0.2
65.03925	0.4
66.33543	0.2
67.05505	3.3
67.49801	0.2
69.03425	0.5
69.07066	2.5
69.15760	0.2
71.04984	0.5
71.08333	0.2
71.08631	1.6
71.58048	0.2
71.58456	0.3
72.08194	0.2
79.05490	3.5
81.03413	1.4
81.07056	4.3
81.77824	0.2
83.04983	1.1
83.08614	1.9
85.02901	0.3
85.06543	0.2
91.05479	2.7
91.25834	0.2
93.07041	2.8
95.04961	5.0
95.08618	2.1
97.06532	0.7
97.10168	0.8
99.04437	0.2
99.08079	0.8
105.07031	1.8
107.04951	3.9
107.08591	1.6
108.05740	2.3
109.06535	1.7
109.10156	0.7
110.50208	0.2
111.08082	0.2
117.07004	1.0
119.08578	1.7
121.06499	9.9
121.10117	1.0
122.07275	0.3
123.08052	0.7
125.09615	0.6
129.07007	0.5
131.08577	1.1
133.10115	0.8
135.08025	1.2
135.11716	0.3
145.10094	0.7
147.04419	0.2
147.08037	0.4
147.11679	0.5
149.09677	0.9
151.11189	2.3
151.83987	0.2
153.84161	0.2
159.11729	0.5
161.09625	0.2
161.13071	0.3
163.03944	0.4
163.11191	0.4
164.12001	1.5
165.12733	1.0
168.83553	0.2
173.13278	0.2
177.12743	1.5
187.11195	0.2
191.14357	0.4
199.64243	0.2
204.32480	0.2
223.13258	0.5
237.11288	0.5
237.14792	1.2
261.18472	0.3
275.20029	1.5
292.58234	0.2
293.21091	100.0
294.21420	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	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03936	31.5
53.34740	6.5
55.01862	23.7
55.05502	25.6
65.03915	8.7
65.06084	7.1
67.05496	63.8
69.07069	61.0
69.38459	68.4
79.05493	57.0
81.03416	64.9
81.07058	100.0
83.04990	16.4
83.08606	16.0
91.05483	71.3
93.07040	43.9
95.01316	14.8
95.04964	30.8
95.08612	42.4
97.06544	41.4
105.07018	79.8
107.04940	28.1
107.08585	32.7
107.56974	6.5
109.06491	20.0
109.10140	11.1
115.05462	7.1
117.07033	17.8
119.08592	48.0
121.06483	9.1
121.10126	15.2
123.08036	20.7
125.09610	8.8
131.08578	23.6
133.10110	45.0
135.11671	17.0
145.10107	25.2
147.11687	14.5
149.09583	15.6
151.11110	13.1
159.11748	17.4
177.12682	8.4
179.14342	28.1
244.52069	7.4
275.20029	83.0
293.21069	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.02246	1.9
50.43152	1.7
51.75602	1.6
53.03943	8.0
55.01867	14.4
55.05509	21.2
67.05502	42.3
69.07062	23.2
69.81952	11.8
71.04986	4.4
71.08602	2.3
79.05488	44.5
81.03416	11.5
81.07055	100.0
82.07371	2.3
83.04984	7.2
83.08631	15.5
85.02901	2.1
85.06543	5.3
89.77521	1.8
91.05473	31.2
93.07037	33.0
95.04971	19.3
95.08607	27.3
97.06519	14.4
97.10171	3.5
99.08112	3.8
105.07029	25.9
105.70055	1.9
107.04955	15.4
107.08590	19.4
109.06512	41.9
109.10198	9.1
111.08097	4.3
115.90466	1.9
117.07025	13.2
119.08570	23.9
121.06523	5.6
121.10132	13.5
123.08074	14.6
123.11710	2.9
125.09641	3.3
129.07022	2.9
131.08565	12.3
133.06424	1.9
133.10146	18.8
135.08063	8.8
135.11662	5.7
137.09650	6.2
139.07487	2.2
139.11249	2.1
143.08618	1.8
145.10114	11.1
146.86156	1.9
147.08020	4.6
147.11690	17.9
149.09648	13.1
149.13290	3.7
149.48335	2.2
151.11224	7.9
157.10175	5.0
159.11674	9.1
161.09598	2.7
161.13249	4.1
163.11157	10.2
165.09174	1.9
165.12776	3.5
171.11749	3.4
173.09671	2.9
173.13245	4.6
175.11226	2.8
177.12834	3.5
179.14243	2.1
183.11665	2.5
187.11227	3.3
191.14366	2.2
193.12254	3.5
195.13943	2.3
202.84157	1.8
239.17981	4.6
247.20570	2.4
257.18988	3.7
268.84399	2.2
275.20059	50.5
293.16510	2.1
293.17490	2.7
293.21075	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	293.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94425	0.8
54.48984	0.7
56.96293	1.4
56.96561	18.8
57.03415	1.3
60.05628	3.4
61.02922	1.0
62.09589	0.7
64.79035	0.8
69.03412	1.3
70.30305	1.2
70.30714	1.9
70.98097	1.4
71.95242	1.4
72.08152	17.9
73.02882	1.3
74.97641	0.9
84.96021	7.2
85.02876	2.4
85.04004	2.3
87.04508	0.8
89.03909	4.2
89.10774	3.0
90.02774	0.8
97.02869	1.4
97.07632	2.7
97.96764	2.6
98.06075	0.8
98.21363	1.1
98.97580	33.9
102.97063	1.8
107.04935	1.2
110.97577	1.9
114.10286	24.7
115.08663	2.9
115.97806	1.6
116.97829	1.3
116.98618	22.9
117.03368	5.4
119.01913	0.9
124.99138	1.2
127.03861	1.3
128.02333	0.8
128.98586	3.0
131.00143	3.3
131.12933	5.7
134.99643	14.0
135.04414	13.8
140.00160	0.9
140.98625	0.9
141.99382	1.4
143.00137	7.5
145.01776	1.4
145.02840	13.5
146.99590	2.6
149.01196	2.2
153.00670	2.9
155.00021	1.0
157.01675	2.3
158.99634	3.4
160.00400	1.2
161.01195	8.3
161.02873	2.4
163.03896	100.0
164.04225	1.5
170.99669	1.0
173.01219	4.7
175.02800	2.9
177.00751	4.1
177.02135	1.0
179.02264	0.9
182.99583	1.0
187.07137	1.0
189.00688	0.8
191.02235	5.1
191.03786	1.4
201.00668	2.2
204.03094	1.0
205.08080	0.9
219.01680	2.4
233.03276	1.5
233.12848	5.9
234.11281	4.6
237.02899	4.3
251.04387	8.0
251.13950	1.3
261.02847	0.9
269.02774	1.6
269.05450	21.8
270.05753	1.0
276.13348	9.0
276.15738	1.0
287.06528	5.4
293.05624	8.7
293.15994	41.2
294.16296	1.1
311.06473	29.9
312.06714	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52656	0.4
55.05511	1.0
55.25151	0.4
59.82957	0.5
60.05653	2.2
70.06586	0.8
71.10377	0.9
71.10748	0.9
72.08157	12.5
79.05499	1.0
83.04967	0.9
84.08126	1.3
89.03923	2.7
89.10772	1.3
91.05461	0.6
97.07649	2.0
98.06046	1.0
99.56054	0.5
101.06023	1.2
106.46336	0.4
107.04954	2.3
114.10292	21.7
115.08699	4.8
117.03378	5.2
119.08593	1.0
131.12955	2.3
131.13802	0.5
134.03659	0.6
135.04428	14.9
136.06201	0.7
143.36388	0.5
145.02856	14.1
147.04405	1.7
157.10922	1.2
163.03906	100.0
164.04208	1.1
192.10225	0.7
233.12875	5.5
234.11206	7.5
234.13333	0.8
251.13951	1.2
276.13477	9.9
276.16440	0.8
293.16074	50.7
294.16385	1.1
298.72470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66836	0.5
52.47429	0.6
55.01846	0.8
55.02982	1.1
55.05508	5.9
60.05371	0.8
60.05650	11.2
70.06583	5.2
70.73831	0.6
70.74151	1.3
72.08154	39.2
73.04023	0.6
73.06508	1.2
73.08472	0.5
79.05479	1.4
86.03558	0.9
86.07179	0.6
87.07989	0.6
89.03912	3.8
89.10777	2.2
91.05467	3.3
97.07652	7.2
98.06054	10.3
99.71907	0.6
107.04951	13.9
112.08680	0.7
114.10286	30.9
115.08685	6.9
117.03384	6.4
119.04930	4.0
122.06042	0.7
131.12930	14.2
134.03584	0.8
135.04413	20.9
137.05991	0.6
145.01758	1.0
145.02846	14.1
147.04417	8.0
148.04703	0.7
157.10843	9.8
157.12067	0.9
162.05537	1.2
163.03900	100.0
164.04256	1.1
216.10126	4.1
222.08734	0.6
230.13350	0.5
233.12863	5.8
234.11227	8.4
251.13782	0.8
275.14978	1.8
276.13440	8.6
277.16245	0.6
293.16064	45.4
304.74289	0.6
306.55606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38858	2.8
64.53052	3.5
64.85719	3.1
69.77627	23.2
98.20825	4.3
293.06302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.5
60.05656	2.8
70.06587	0.6
70.74188	1.7
72.08150	13.5
79.05498	0.8
89.03891	4.0
89.10777	1.3
97.07650	3.0
98.06045	1.7
107.04942	2.3
114.10287	16.6
115.08705	3.6
116.77444	0.5
117.03378	5.3
117.50904	0.6
119.04947	1.1
131.12903	3.0
134.03638	0.6
135.04410	16.2
145.02840	14.6
146.03296	0.6
147.04347	1.2
157.10793	1.1
163.03896	100.0
164.04184	1.6
233.12798	3.5
234.11208	6.4
245.50093	0.6
245.64368	0.6
276.13431	6.5
293.16061	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29882	1.1
55.01862	1.7
55.05503	2.0
56.96562	62.0
57.03432	3.1
60.05651	2.4
61.02917	4.0
61.10044	1.0
67.05488	2.7
69.03422	5.3
69.07074	1.7
70.06576	2.8
70.89804	1.1
70.98109	3.1
71.57222	1.5
71.95261	3.8
72.08158	11.6
72.38663	1.3
73.02916	2.6
74.97586	2.5
77.51915	1.2
81.03429	2.3
81.07073	3.1
84.04504	2.7
84.08140	3.5
84.96030	20.5
85.02911	9.9
86.09698	3.0
88.99136	1.7
89.03922	1.3
91.05486	1.7
95.08630	1.5
97.02911	7.0
97.07643	2.2
97.96816	7.5
98.06046	2.3
98.97578	79.1
102.97066	3.6
107.04961	2.1
109.02887	1.4
110.07204	1.6
110.97588	4.6
112.99104	2.2
114.10295	12.3
115.08701	3.1
115.97825	4.8
116.98617	82.0
117.03336	2.6
119.01879	3.8
120.97990	1.5
124.99122	4.3
127.03905	3.3
128.51952	1.0
128.98622	8.5
131.00159	9.0
131.12938	4.2
133.98865	1.3
134.99657	59.3
135.04424	6.5
140.00183	1.3
140.98599	1.8
141.99399	3.0
143.00140	21.4
143.08295	1.1
145.01762	1.7
145.02763	5.3
146.99626	8.9
147.03267	1.4
147.04411	2.2
149.01225	10.4
150.99138	1.2
153.00687	10.1
155.00153	3.9
157.01718	4.8
157.10852	1.2
158.01231	2.6
158.99649	8.3
160.00465	5.3
161.01227	29.9
162.99266	2.3
163.02562	2.3
163.03903	46.7
165.00754	3.1
167.02238	1.3
170.99660	2.5
173.01294	9.2
174.99132	1.5
175.02826	8.5
175.04237	1.9
177.00725	15.1
179.02299	4.2
182.99730	1.7
183.04187	3.9
184.02795	1.5
184.04944	7.6
185.01309	1.1
185.05664	1.4
189.00710	1.7
190.98645	3.7
191.02229	13.8
191.03767	1.3
192.04674	1.3
193.03758	1.3
193.05428	1.7
195.01799	3.4
201.00676	5.8
202.08693	1.5
203.02209	2.0
205.00177	1.2
207.01772	1.5
209.03308	3.0
215.02237	1.4
219.01755	9.1
223.05009	1.6
232.99698	1.7
233.03131	5.7
233.12823	3.1
234.11293	2.9
237.02821	11.9
251.00681	1.8
251.01532	1.4
251.04401	21.7
255.03937	1.7
261.02859	1.1
269.05435	64.0
270.05750	1.4
274.06140	1.7
275.04025	1.3
276.13510	4.1
287.06485	23.4
292.07108	2.8
293.02206	1.5
293.05396	20.6
293.11194	1.9
293.16016	23.3
293.18988	1.5
294.05560	1.1
311.06482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1906
Annotation	Dendroxine
Peak:m/z	Relative Intensity
51.71300	0.4
51.71553	0.4
55.05500	1.6
57.03427	0.6
57.07058	0.4
58.99587	0.6
61.01153	0.6
65.30695	0.4
67.05495	2.3
69.03423	0.6
69.07050	1.0
69.29858	0.4
69.34939	1.0
69.35345	2.8
70.06580	0.5
70.36247	0.5
71.04967	0.5
71.08635	2.8
72.08147	0.9
76.02221	0.7
79.05494	0.9
81.03400	1.1
81.07040	1.2
82.27211	0.4
83.04962	1.3
84.08129	0.9
84.83396	0.4
89.00566	0.7
91.05467	2.7
92.05006	5.0
93.05781	1.0
93.07007	0.9
94.06543	0.9
97.10168	0.6
98.21484	0.6
99.08080	2.8
105.07021	0.7
106.06538	1.3
107.08593	0.5
109.02888	0.8
109.10133	1.0
114.10277	1.2
115.05468	0.4
117.03414	0.4
117.05749	1.4
118.05695	0.9
118.06538	18.5
119.04970	0.4
119.07347	2.1
119.08568	1.1
120.08099	1.2
122.02727	3.3
122.83421	0.4
130.06540	1.4
131.23236	0.4
132.08083	2.5
134.09634	0.8
141.59998	0.4
144.08063	0.7
145.02794	1.0
146.09633	0.6
146.90396	0.4
147.04395	3.2
147.06445	0.4
153.12730	1.1
159.08398	5.7
162.09135	17.8
163.03795	0.5
163.09906	3.5
175.08667	2.2
176.10793	0.5
176.14429	0.5
177.05437	1.9
184.55846	0.4
185.09943	12.9
185.11523	0.9
199.20340	0.4
202.15910	3.3
210.43013	0.5
218.11687	0.9
220.11194	0.6
230.15399	20.1
248.16470	1.1
274.10861	1.3
274.14728	1.3
274.17673	0.5
277.16629	0.6
292.19073	100.0
293.19312	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	292.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57159	2.3
55.01859	4.0
56.05040	29.1
56.96566	19.0
58.06581	5.6
60.04519	7.8
60.05653	5.4
61.01160	3.3
67.05497	8.3
68.05013	4.2
69.03418	8.1
69.07066	19.7
70.02940	2.5
70.06594	55.9
70.28576	2.0
71.04996	5.0
71.57228	2.4
71.57581	2.8
72.08152	19.2
73.02915	6.1
74.06078	19.3
75.00144	2.2
76.04008	11.5
78.89471	2.2
78.93773	2.0
79.05473	2.9
81.03411	3.3
81.07055	2.8
82.06564	10.1
83.06108	18.0
84.04507	100.0
84.08147	78.7
84.96011	3.0
85.02927	10.7
85.04017	2.6
85.06497	2.4
85.08451	3.9
86.06091	3.3
86.09706	96.4
87.10048	5.1
88.03992	18.3
89.17838	1.9
91.05481	8.6
93.07000	3.8
95.04973	3.2
95.06108	6.7
96.04484	3.9
96.08146	4.3
97.02901	6.6
97.07640	4.6
98.02431	2.7
98.06034	6.8
98.97601	13.0
101.07141	5.0
104.05341	6.0
105.00100	23.8
107.04940	3.1
110.06024	2.5
110.07162	7.6
111.05557	2.7
112.07615	9.0
112.08701	11.9
112.11202	3.7
113.05964	3.1
113.07160	2.6
114.10280	5.7
115.08694	10.0
116.98621	15.2
119.04957	13.4
120.08105	5.2
123.04455	5.0
125.07185	2.3
127.08675	12.6
129.10239	39.5
129.13893	2.4
130.06596	3.0
130.08640	17.0
130.09653	4.5
131.00150	2.4
134.03607	2.6
134.99638	16.0
135.04417	4.9
136.07616	15.4
137.05992	3.8
138.05499	2.2
138.06570	2.2
139.05023	3.9
139.08667	2.3
141.10214	7.1
143.00230	4.2
145.02794	3.0
146.05997	2.4
146.99612	4.8
147.04405	32.7
149.01195	5.0
151.08725	2.8
153.00740	4.5
153.06506	2.9
154.09764	6.3
155.08118	5.2
155.11766	2.7
156.10205	5.5
159.09227	2.6
161.01245	6.5
162.05464	2.3
163.03903	19.2
164.88185	2.3
165.05493	5.5
169.10875	5.2
175.02882	2.7
175.09021	8.9
177.00725	6.2
177.02214	7.1
181.06070	8.7
182.08139	6.9
183.11258	2.4
186.12363	7.5
191.02150	2.8
197.10419	3.7
198.08765	2.8
201.12373	15.9
204.06546	2.5
204.10191	5.4
209.13266	2.9
212.98477	4.1
218.11803	3.3
219.01801	4.8
223.11967	2.9
226.08237	4.8
227.06509	3.0
229.12131	2.8
233.10493	2.2
237.02943	2.8
241.12968	10.2
247.10809	6.3
248.09573	9.5
251.04387	4.2
258.15552	2.5
259.65607	8.5
261.15649	2.7
269.05438	16.3
292.09467	3.3
292.12259	3.2
292.15247	4.0
292.20273	12.2
293.05545	4.1
293.16064	6.0
298.66104	3.6
311.06476	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.1
57.03423	3.9
57.07070	2.0
58.99589	3.8
61.01142	3.9
67.05502	8.7
69.03433	1.9
69.07076	3.2
69.88966	1.7
70.06585	3.1
71.05006	2.0
71.08629	29.3
71.58372	2.0
72.08156	4.9
76.02221	4.4
79.05484	2.5
81.03429	2.3
81.07047	3.8
83.04967	6.9
84.08141	2.9
86.99037	2.6
87.02699	3.3
89.00613	6.2
91.05437	2.4
93.07040	2.5
95.04925	2.3
97.10143	2.8
99.08089	21.1
103.02184	1.9
104.80754	1.4
105.00090	5.6
107.08611	1.9
109.10160	7.1
114.10302	7.6
117.03391	2.3
119.04923	4.1
122.01945	2.6
122.02733	23.4
127.11206	7.5
134.90294	1.5
135.98804	1.5
141.59985	1.7
142.44763	1.7
145.02881	4.8
147.04399	12.9
147.07608	1.5
153.12761	7.1
159.04759	3.1
159.07062	2.6
159.08385	49.9
160.04434	1.5
162.04126	9.7
163.03876	2.7
176.07457	2.2
177.05414	10.8
178.01663	1.8
185.09940	100.0
203.11096	2.9
218.11812	1.6
221.06239	1.7
228.14297	2.3
248.12935	2.6
272.53366	1.5
274.10840	2.2
274.14673	7.4
277.16544	2.1
280.78116	1.8
292.17084	3.6
302.46603	2.1
307.17526	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	291.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01860	2.0
55.05508	21.8
57.07091	2.8
65.03930	3.0
67.05502	33.1
69.07072	17.0
70.19921	5.9
71.05009	1.7
73.06548	2.1
79.05493	68.7
80.18249	1.5
81.07054	46.8
83.04950	1.8
83.08614	8.7
84.55164	1.6
85.06536	2.7
91.05479	34.2
93.07041	100.0
95.04975	11.1
95.08605	33.7
97.06517	3.3
97.10165	6.0
101.06056	1.7
105.07028	23.1
107.05007	1.3
107.08591	55.0
109.06514	5.1
109.10158	14.7
111.08039	2.4
111.11639	1.5
112.44256	1.3
117.07023	5.7
117.64871	1.5
119.08575	16.2
121.10143	53.5
123.04446	1.6
123.08057	3.2
123.11711	4.4
125.09625	2.9
129.07022	3.0
131.08525	8.1
133.10120	13.2
135.08035	2.4
135.11690	44.0
143.08525	2.3
145.10097	7.7
145.78586	1.8
147.08105	1.9
147.11691	9.7
149.09607	3.2
149.13258	28.3
157.10081	2.8
159.11656	6.8
161.13287	8.3
163.11188	2.6
163.14816	9.0
171.11711	3.7
173.13225	2.9
175.11176	2.8
175.14870	4.1
177.16299	1.6
185.13260	2.9
189.12706	2.2
199.14804	3.2
209.15259	1.8
213.16319	1.9
217.15892	1.4
217.19595	2.2
221.15398	1.6
231.21169	1.7
235.16847	2.2
241.19475	4.3
249.18571	1.8
259.20602	8.3
273.18542	2.2
291.19550	37.1
291.23157	53.3
292.20050	1.7
292.23386	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03923	3.9
55.01857	2.4
55.05274	1.4
55.05511	21.6
57.07063	2.9
59.04979	1.5
65.03929	1.7
65.82076	1.0
67.05505	42.1
69.03416	1.1
69.06730	1.3
69.07069	19.9
69.92865	4.6
73.00221	1.1
73.06531	1.2
77.03889	1.4
79.05493	73.1
80.05789	1.0
81.07056	57.2
83.04971	1.6
83.08611	10.4
85.06532	3.1
91.05482	31.1
93.07043	100.0
94.07366	1.5
95.04975	10.2
95.08606	37.7
97.06517	2.5
97.10158	4.8
99.08111	2.1
105.04530	1.8
105.07027	20.3
106.22243	1.1
107.08593	60.2
107.21288	1.2
109.06512	10.1
109.10142	17.1
111.08038	1.6
117.06997	4.8
119.08578	18.8
121.06510	1.1
121.10141	49.5
123.04396	1.2
123.08048	2.3
123.11717	5.4
125.09642	1.0
129.06990	1.8
131.08551	6.0
133.10150	15.0
135.08051	2.9
135.11690	51.3
137.09641	1.8
139.11180	1.3
142.07730	1.3
143.08546	3.5
145.10098	5.4
147.11687	14.8
149.09605	2.4
149.13257	33.9
151.11169	1.3
157.10115	3.0
159.11697	5.1
161.13251	10.9
163.11137	3.1
163.14830	9.2
165.12779	3.9
171.11667	4.1
173.13239	2.0
175.11188	1.4
175.14774	5.7
177.12704	4.4
177.16302	1.2
185.13214	3.6
189.12703	2.5
199.14816	2.5
203.14204	2.1
209.15417	1.8
213.16318	2.4
217.15973	1.6
217.19550	2.5
221.15367	2.9
231.21141	1.7
235.16872	2.8
241.19464	6.0
249.18484	1.7
259.20557	10.3
291.19672	5.4
291.23151	59.4
292.23566	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03949	1.5
55.01873	3.1
55.05511	12.1
57.03429	1.0
57.07056	0.6
59.04988	0.4
59.63548	0.3
65.03922	0.8
67.05504	8.6
69.03436	1.6
69.06725	0.3
69.07069	4.9
71.04985	1.4
71.58656	0.3
72.08146	0.3
73.06540	0.3
77.03954	0.5
79.05492	13.8
81.03403	1.5
81.07055	12.9
83.04984	2.1
83.08622	5.0
84.08109	0.5
85.02924	0.3
85.06532	0.8
91.05482	12.8
92.06252	0.4
93.07045	12.8
94.04166	0.3
95.04373	0.3
95.04974	5.6
95.08608	5.8
96.75688	0.3
97.06516	1.1
97.10172	4.2
99.08073	0.5
103.05487	0.5
105.03394	0.3
105.04510	0.3
105.07030	10.1
107.04950	4.9
107.08599	7.4
108.05745	0.6
109.06521	2.5
109.10146	2.0
111.04424	0.4
111.08095	1.4
115.05447	1.2
116.06231	0.8
117.07019	4.7
119.04961	2.7
119.08582	9.0
120.05716	0.5
121.06512	3.6
121.10158	3.1
123.04415	2.0
123.08088	1.7
125.09636	2.1
128.06226	0.9
129.07014	2.7
130.07784	1.1
131.04926	0.3
131.08568	4.9
132.05699	0.6
133.06497	5.4
133.10130	2.6
134.07233	1.0
135.08061	3.6
135.11674	2.6
137.09602	0.9
139.03876	2.7
142.07799	0.6
143.08559	2.5
145.06467	0.6
145.10107	3.6
147.04332	0.5
147.08047	5.8
147.11659	1.5
148.08806	0.4
149.09663	2.4
149.13252	1.2
151.07518	0.9
151.11198	0.3
153.09117	0.3
157.10114	1.9
159.07985	0.4
159.11681	1.1
161.09607	1.7
161.13231	0.6
162.10388	1.7
163.11217	1.5
165.09157	0.4
169.10115	0.5
171.11684	0.8
173.13321	0.4
175.11227	1.6
177.12790	0.5
179.10612	0.4
183.11807	0.3
185.13216	0.3
187.11224	0.3
189.11174	0.6
189.12698	0.6
195.11702	0.3
199.11186	0.5
199.14836	0.4
213.16339	0.4
223.13364	1.6
227.17911	0.6
241.19722	0.3
245.19095	0.4
249.14890	2.5
255.17424	0.7
261.14914	0.6
262.15704	0.3
272.54468	0.3
273.18481	4.5
277.72675	0.3
291.19537	100.0
292.19858	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03934	7.3
55.01884	18.8
55.05514	53.9
57.03434	8.2
66.04732	3.6
66.85686	3.0
67.05223	3.4
67.05512	37.6
69.03418	11.8
69.07055	12.1
70.26962	10.6
71.04980	4.1
79.05064	4.7
79.05497	70.3
81.03396	3.6
81.07058	72.7
83.04961	8.6
83.08621	16.8
83.93089	3.1
85.06529	4.2
88.05661	2.9
91.05488	65.8
92.77261	4.0
93.07050	38.9
95.04988	22.2
95.08607	22.1
97.06527	5.7
97.10184	28.0
98.20801	3.0
103.05506	3.5
105.03365	4.9
105.07024	35.8
107.04949	16.7
107.08592	29.9
109.06497	9.2
109.10143	10.5
111.08046	8.0
112.14786	3.4
114.40590	3.4
115.05479	4.4
117.07010	32.4
119.04935	4.8
119.07763	2.7
119.08582	67.7
121.06499	19.1
121.10142	13.3
123.08092	8.6
125.09637	20.1
128.06253	6.8
129.07001	13.8
130.07834	4.6
131.08578	30.3
133.06499	11.0
133.10104	7.8
135.08055	17.8
137.09605	5.4
143.08522	18.0
145.10138	32.0
147.08063	52.3
149.09631	13.6
151.07553	5.5
154.99457	3.5
157.10127	9.8
159.11707	11.9
161.09633	12.3
167.08452	3.9
171.11674	5.0
185.13086	3.9
185.91148	3.6
189.11230	9.6
189.12759	4.7
207.13823	3.6
245.19090	4.5
249.14893	11.0
254.22014	3.4
255.17413	11.0
273.18509	72.7
291.19550	100.0
291.22885	4.9
292.19989	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.69322	0.6
53.03934	1.2
55.01875	3.1
55.05511	11.2
67.05505	6.5
69.03422	1.3
69.07056	4.1
70.71898	1.8
71.04972	1.3
73.74937	0.7
79.05491	10.9
81.03406	1.0
81.07052	10.4
81.12450	0.6
83.04974	2.2
83.08613	5.3
91.05473	11.0
93.07047	9.4
95.04971	5.7
95.08612	4.1
97.06503	0.8
97.10165	4.5
105.07014	9.2
107.04945	4.6
107.08599	4.8
109.06500	2.0
109.10143	1.6
111.08065	1.1
115.05420	1.3
117.07045	4.1
119.04933	2.2
119.08573	8.0
121.06546	3.0
121.10115	2.4
123.04391	1.4
123.08048	1.7
123.11682	0.6
125.09642	3.1
128.06229	1.4
129.06981	2.2
130.07831	0.8
131.08553	4.3
133.06439	4.0
133.10100	1.4
134.07274	0.8
135.08047	2.4
135.11632	0.8
139.03876	2.0
142.07719	0.7
143.08585	1.3
145.10135	4.3
147.08052	7.4
147.11681	0.9
149.09615	1.4
151.07440	0.6
157.10104	0.8
159.11687	1.7
161.09592	1.8
162.10435	0.8
163.11156	1.1
171.11682	0.6
173.09573	0.7
175.11169	1.3
185.13220	0.7
189.11142	1.1
223.13184	1.5
245.18953	0.8
249.14963	3.2
255.17244	1.0
273.18457	6.1
291.19531	100.0
292.19873	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03947	2.9
55.01871	20.0
55.05510	8.8
56.46739	0.9
57.03439	16.1
57.07072	1.4
58.07395	1.1
65.03938	2.3
67.05505	23.5
69.03437	1.8
69.07063	3.8
69.77601	3.3
69.78014	3.0
74.06058	0.9
79.05494	38.8
81.03415	1.0
81.07055	14.3
82.98631	0.8
83.04967	1.5
83.08612	3.1
85.06545	3.0
88.07629	5.7
89.07950	1.3
91.05482	28.1
93.07047	17.0
95.04969	18.6
95.08607	7.5
97.06525	2.3
97.10171	1.5
98.20787	1.6
105.07030	19.2
106.04227	1.1
107.04964	10.3
107.08593	19.5
109.06518	61.9
109.10157	2.0
111.08102	2.3
115.05457	2.0
116.06223	1.8
117.07026	12.7
119.08549	5.3
121.06510	4.1
121.10123	4.4
122.08150	1.2
123.08081	2.2
128.06241	1.8
129.07027	5.1
130.07773	1.0
131.01003	0.9
131.08569	13.3
133.06494	2.0
133.10124	5.3
135.08057	100.0
135.11615	4.4
137.09647	1.4
143.08597	6.5
145.10106	7.3
147.08076	3.2
149.09651	6.1
150.39914	1.0
155.08594	1.1
157.10129	4.5
159.08118	2.2
159.11711	4.0
161.09602	6.7
163.11108	1.9
169.10112	1.1
171.11693	3.6
175.11205	2.5
177.12793	1.6
183.11615	1.6
183.71237	1.2
195.11743	1.7
199.14857	4.0
201.12720	1.9
217.15872	17.1
219.13823	1.4
227.17941	0.9
237.16429	1.4
243.25134	5.6
245.19106	1.2
255.17455	2.5
273.18488	17.6
291.19553	27.4
291.27191	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	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01864	1.4
55.05502	4.3
57.07066	1.5
59.01576	1.2
59.05001	1.1
67.05494	3.3
69.03428	1.4
69.07053	2.1
69.46266	11.3
69.46618	1.3
71.04994	2.4
79.05470	6.0
81.07052	7.3
82.09698	1.1
83.04987	1.8
83.08620	2.2
85.06548	1.2
85.75579	1.1
91.05489	5.6
93.07032	8.3
95.04962	4.1
95.08614	14.1
97.06530	2.4
105.07028	10.5
107.04941	2.9
107.08595	5.1
109.06506	8.1
109.10131	2.1
111.08075	24.7
115.09227	1.1
119.08569	7.0
121.06498	3.3
121.10136	4.7
122.07288	2.4
123.08060	35.7
129.07001	1.6
131.08577	6.8
133.06467	3.6
133.10130	6.6
135.08054	5.2
135.11723	3.4
137.09610	3.1
143.08528	2.6
144.12242	1.1
145.10112	9.2
147.08049	2.5
147.11670	3.8
148.54997	1.2
149.09625	4.4
151.07542	100.0
155.10648	1.3
156.09358	2.3
157.10141	4.0
159.08057	1.6
159.11623	1.8
161.09650	3.9
161.13271	2.5
163.11179	3.2
163.30167	1.3
165.09189	1.3
171.11674	3.8
173.13287	1.9
174.10423	1.4
175.11174	2.5
177.09085	1.9
179.10663	4.2
181.10138	1.5
187.11148	3.3
189.12746	28.0
191.10547	1.5
191.14287	2.3
192.11433	4.3
197.11737	11.6
203.14420	1.8
207.13794	65.6
213.16307	2.1
215.14314	4.9
217.12248	3.7
231.17496	1.7
233.15419	8.7
235.13397	1.6
255.17422	2.7
273.03638	1.3
273.18585	4.7
291.19504	27.1
302.58804	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03943	4.3
55.01878	16.6
55.05511	32.3
55.88663	1.8
57.03425	5.4
57.86371	1.7
63.33694	2.1
65.03925	2.5
67.05505	36.0
69.03425	5.7
69.07067	18.7
69.30894	4.8
69.31306	17.0
71.04993	6.5
79.05498	66.9
81.03429	9.4
81.06585	3.9
81.07060	75.3
83.04961	9.0
83.08611	13.1
88.07609	2.0
91.05484	41.3
93.07056	31.7
95.04976	39.9
95.08622	20.3
97.06541	5.8
97.09630	2.1
97.10166	12.7
100.53445	1.8
103.05491	3.2
105.03406	3.6
105.07034	31.4
107.04974	16.2
107.08595	16.2
109.06540	10.2
109.10157	7.9
111.08012	5.1
115.05422	3.6
116.06216	2.6
117.07021	22.0
119.04927	3.5
119.07803	2.8
119.08592	38.3
121.06493	16.4
121.10145	12.3
123.04425	2.1
123.08086	21.2
123.11703	2.7
125.09650	11.8
129.07013	12.9
131.07901	1.8
131.08586	20.5
133.06488	7.3
133.10123	9.0
135.08035	11.2
135.11693	6.1
137.09644	7.7
143.08575	11.8
145.10130	23.6
147.07089	2.9
147.08073	28.6
147.11653	5.2
149.09602	8.0
153.09088	5.5
157.10159	5.4
159.08029	3.0
159.11696	8.2
161.09660	9.5
163.11205	20.4
165.09105	6.8
169.10155	3.0
171.11696	4.1
175.11162	5.4
177.05315	2.0
177.93675	2.0
184.22093	2.0
185.13254	2.5
189.11195	4.6
189.12784	2.9
190.23225	2.1
193.12170	4.3
199.11057	1.9
223.13326	8.2
227.17950	3.0
239.86993	2.1
245.19005	3.3
249.14842	11.6
255.17516	3.6
273.18484	33.2
291.19543	100.0
291.27048	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.00295	0.2
53.03933	0.7
55.01868	2.0
55.05510	7.9
57.03436	0.4
59.04985	0.5
65.03932	0.5
67.05503	4.7
69.03430	1.2
69.06728	0.2
69.07068	3.1
70.04617	0.7
71.04992	0.8
77.03904	0.2
79.05489	7.2
81.03415	1.0
81.06585	0.3
81.07053	6.5
83.04970	1.4
83.08617	3.3
83.67546	0.1
85.06538	0.4
85.18266	0.2
86.67391	0.2
88.56203	0.2
91.05477	6.8
92.06256	0.3
93.06477	0.3
93.07039	5.6
94.04178	0.4
95.04366	0.2
95.04966	3.6
95.08046	0.3
95.08602	2.7
97.02828	0.2
97.06514	0.6
97.10168	2.9
103.05473	0.7
105.03375	0.3
105.04549	0.2
105.07027	6.9
107.04291	0.3
107.04952	3.1
107.08591	3.1
108.05731	0.5
109.06516	1.0
109.10184	0.8
111.08077	0.4
113.01485	0.2
115.05413	0.6
116.06220	0.3
117.07015	2.8
119.04938	1.9
119.08577	4.4
120.05710	0.5
121.06502	1.9
121.10136	1.2
123.04423	0.2
123.08031	0.8
123.11676	0.2
125.09619	1.6
128.06201	0.4
129.07007	1.5
130.07787	0.5
131.08563	2.9
132.05739	0.3
133.06490	4.5
133.10133	1.3
134.07233	1.0
135.08047	1.2
135.11652	0.5
137.09596	0.4
139.11176	0.2
142.07765	0.3
143.08537	1.3
144.09357	0.2
145.06470	0.4
145.10110	2.1
146.07225	0.2
147.08035	3.6
147.11671	0.5
149.09624	1.1
155.08549	0.2
157.10135	1.0
159.08020	0.2
159.11674	0.6
161.09616	1.3
161.13240	0.2
162.10399	1.7
163.11134	1.0
165.09076	0.5
169.10178	0.2
171.11673	0.6
175.11169	0.9
176.35205	0.2
179.10603	0.2
185.13190	0.3
189.11237	0.2
189.12770	0.2
203.14230	0.2
205.12350	0.3
207.82724	0.2
211.41315	0.2
223.13246	1.2
227.17918	0.2
245.19003	0.5
249.14873	1.9
255.17516	0.3
261.14859	0.6
262.15680	0.4
263.16360	0.2
273.18512	2.3
291.19522	100.0
292.19839	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01874	2.1
55.05510	9.0
55.48819	0.3
56.56543	0.2
57.03423	0.5
57.07059	0.3
59.04998	0.3
63.85101	0.2
65.03921	0.6
67.05174	0.4
67.05502	6.1
69.03436	1.3
69.07070	3.9
70.48611	0.3
70.48958	0.8
71.04988	0.6
71.08623	0.3
77.44824	0.2
77.81336	0.2
79.05490	8.3
81.03401	1.0
81.07053	6.7
83.04959	1.1
83.08150	0.3
83.08621	4.4
85.06528	0.3
91.05479	8.3
93.06477	0.4
93.07040	6.4
94.04176	0.4
95.04964	3.9
95.08604	3.0
97.06515	0.5
97.10165	3.3
98.20887	0.4
103.05447	0.6
105.03362	0.3
105.07028	6.8
107.04952	3.2
107.08596	3.3
108.05723	0.5
109.06497	0.8
109.10174	1.4
115.05434	0.6
116.06214	0.7
117.07013	3.3
119.04912	1.6
119.08577	5.6
120.05712	0.6
121.06504	2.3
121.10136	1.5
123.08066	1.5
123.11646	0.4
125.09621	1.5
128.06235	0.7
129.07014	1.6
130.07762	1.0
131.08571	3.2
132.05667	0.3
133.06491	3.6
133.10109	1.5
134.07298	1.2
135.08025	1.5
135.11665	0.5
137.09599	0.6
142.07716	0.3
143.08548	1.1
145.06477	0.4
145.10129	2.2
147.08058	4.3
147.11682	0.8
149.09586	0.9
149.13243	0.4
153.12737	0.3
157.10143	0.7
159.08055	0.4
159.11688	0.5
161.09563	1.5
161.13280	0.4
162.10414	1.2
163.11140	1.1
165.09061	0.5
171.11658	0.4
175.11157	1.2
189.11226	0.3
189.12802	0.3
203.14278	0.3
223.13319	1.5
245.19016	0.6
249.14847	3.1
255.17348	0.3
261.14865	0.8
262.15616	0.8
263.16403	0.4
273.18445	3.6
291.19528	100.0
291.79654	0.3
292.19913	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03928	2.3
55.01626	1.6
55.01873	21.0
55.05511	9.6
57.03437	15.5
57.07076	0.9
58.72648	0.8
65.03931	2.4
67.05505	14.7
69.03416	1.9
69.07058	3.0
69.55968	5.9
71.04985	1.4
79.05493	39.0
81.03395	1.5
81.07063	14.5
83.05007	1.2
83.08607	3.4
85.06528	3.5
91.05481	29.1
93.06479	1.2
93.07041	18.8
95.04967	6.0
95.08614	7.6
97.06543	2.1
97.10167	1.2
105.07026	14.2
107.04949	10.1
107.08602	23.9
109.06518	64.0
109.10109	2.0
111.08038	1.1
115.05456	3.4
116.06193	2.1
117.07021	13.2
119.06062	1.3
119.08589	5.1
121.06540	2.7
121.10140	3.4
123.08068	2.4
128.06230	1.4
129.07028	4.9
131.08592	10.6
133.06476	2.1
133.10085	3.9
135.08054	100.0
135.11647	2.3
140.45372	0.9
141.06969	0.9
142.07838	1.2
143.08577	5.4
145.10100	7.3
147.08064	3.3
147.11688	1.4
149.09613	6.8
150.25789	0.8
152.57321	0.8
155.08627	0.9
157.10132	4.7
159.08055	2.3
159.11702	3.8
161.09595	6.7
163.11180	1.3
169.10114	1.0
171.11678	2.5
173.13261	1.9
175.11191	2.6
175.14897	1.0
177.12703	1.3
183.11691	1.1
185.13260	1.5
185.14984	0.9
199.14827	4.5
201.12723	2.3
217.15863	15.8
222.23955	0.9
227.17963	1.0
245.19005	1.3
255.17450	2.7
273.18463	13.2
291.19543	27.4
292.13864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03937	2.1
55.01877	1.9
55.05512	10.4
57.03428	1.7
57.07069	3.6
59.04988	3.3
65.03917	1.0
67.05498	7.2
69.03413	2.4
69.07052	2.0
69.55443	6.6
71.04997	4.2
72.02754	1.1
75.76549	0.9
79.05491	13.8
81.07059	10.5
83.04969	2.2
83.08620	9.7
85.02904	1.6
85.06535	3.3
91.05481	9.2
92.13276	0.9
93.07040	14.8
95.04981	8.0
95.08602	18.3
97.06512	4.2
98.21539	1.9
105.06504	1.0
105.07044	11.0
107.04951	15.6
107.08593	11.5
108.05692	1.3
109.06522	10.8
109.10169	4.2
111.08082	42.4
113.09632	1.9
115.05434	1.0
117.07034	2.5
119.08568	12.0
121.06475	4.2
121.10134	5.6
121.64043	0.9
122.07262	2.6
123.04446	1.1
123.08067	41.9
123.11726	1.3
125.09634	2.9
128.06209	1.0
129.07001	1.5
131.08592	7.7
133.06493	3.4
133.10136	10.1
135.08055	6.1
135.11673	3.1
137.09604	2.5
139.03938	1.3
141.05493	1.3
142.07782	2.4
143.08572	2.1
145.10091	4.8
147.08040	3.9
147.11700	5.7
149.09621	8.9
149.13242	1.3
150.86177	0.8
151.07541	100.0
152.07986	1.3
153.09099	1.0
155.08511	1.4
155.10658	1.4
156.09361	2.2
157.10141	4.0
158.10890	1.1
159.08040	2.1
161.09587	4.4
161.13269	1.4
163.11150	4.3
165.09135	2.1
165.33020	1.0
171.11691	3.7
173.09573	1.4
173.13254	6.4
174.10339	1.8
175.11206	4.8
177.09155	1.8
179.10687	5.0
181.12254	2.8
182.10854	1.6
187.14873	1.1
189.12743	33.3
190.13179	1.2
191.10612	1.0
191.14301	11.5
192.11435	5.5
195.24023	0.8
197.11720	11.9
197.13313	1.9
207.13800	66.1
211.13245	1.6
213.16380	1.7
215.14339	4.1
217.12267	3.8
231.17303	2.1
233.15366	29.2
235.13332	2.5
249.18542	2.6
252.19012	0.8
255.17476	2.1
273.18436	7.8
291.19537	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.5
60.05642	2.2
69.26503	1.1
69.94818	4.8
69.95234	1.7
70.06590	7.0
72.08154	24.2
73.04041	1.4
77.03921	5.4
79.05482	1.4
88.40802	1.1
91.02377	1.0
92.51945	1.0
95.04935	1.5
97.07637	5.0
98.06040	4.2
98.20775	1.0
105.03391	14.6
106.06561	2.2
107.04951	3.7
107.08520	1.0
112.08727	1.3
114.10287	14.8
115.08688	12.2
119.04919	1.8
119.32304	1.0
122.06027	2.1
123.04426	4.5
128.08226	1.1
128.11880	1.5
131.12907	2.1
132.04420	1.1
133.02844	76.7
134.03589	3.7
134.06013	26.9
139.03888	3.8
140.08189	1.1
147.04399	14.9
150.05479	8.4
161.02353	2.0
161.05928	1.0
162.05455	6.0
163.03889	1.1
175.12468	1.3
176.10735	2.2
177.05479	2.1
178.04828	1.3
186.08994	1.1
201.10052	1.1
203.11769	15.8
204.10194	63.4
205.10559	1.6
217.13394	1.2
218.13110	1.4
221.12869	2.1
232.09677	3.0
233.12407	1.4
246.12379	19.1
248.14769	3.6
263.15033	100.0
264.15277	2.3
267.27979	1.1
274.11697	1.3
291.14548	31.0
291.18140	4.3
292.15079	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	291.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01875	1.5
55.05507	14.4
56.05025	3.5
57.06823	1.5
57.07071	18.7
58.99578	2.4
67.05472	2.1
69.03429	1.6
69.07056	1.8
70.97717	1.2
70.98055	2.3
71.76525	1.2
74.66763	0.9
79.05495	2.9
81.03404	3.1
81.07042	5.0
83.38854	1.2
84.04474	1.9
84.08129	2.2
84.90345	1.3
85.01122	6.4
87.02674	2.1
87.08102	100.0
88.08476	1.2
91.05499	5.4
93.07035	4.0
95.08594	3.3
98.09693	4.4
99.06230	1.1
101.49039	1.0
102.03764	8.7
102.05534	11.5
105.07034	3.0
107.04957	1.6
107.08566	1.7
109.10139	1.3
112.03953	3.5
113.04234	3.1
116.01672	5.1
117.07019	1.7
119.08544	3.3
121.10106	2.2
122.09593	1.1
130.06865	3.5
130.08640	6.8
139.03871	2.5
143.08478	1.4
145.02847	1.3
145.10023	1.3
147.04424	2.2
149.13254	1.2
156.08379	3.5
156.10202	3.4
175.50185	1.1
177.05435	2.0
188.03737	4.7
189.03307	1.7
205.06396	11.8
216.06897	9.4
245.05692	1.1
259.11115	38.4
260.11392	1.6
291.06430	10.6
291.09451	1.9
291.13586	4.0
291.19525	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	Gerfelin
Peak:m/z	Relative Intensity
53.03936	7.8
55.01866	9.0
55.05508	25.6
56.96555	2.3
57.03440	3.4
57.07067	6.6
59.04999	2.9
65.03939	15.3
67.05504	36.2
68.92633	2.0
69.03427	15.1
69.07067	30.7
70.06579	4.8
70.14955	11.2
71.04981	6.4
71.08617	3.8
72.08154	6.9
77.03949	2.2
79.05500	27.8
81.03420	43.3
81.03896	1.5
81.07056	76.2
83.04968	7.2
83.08620	11.1
84.08146	13.7
85.02914	3.5
85.06530	7.3
86.09711	2.7
91.05482	37.2
93.03413	18.0
93.07045	38.3
95.04977	15.8
95.08601	57.7
97.02892	13.3
97.06516	6.5
97.10178	7.7
98.09697	3.8
99.04438	3.3
99.08099	4.7
103.05453	6.0
105.07033	27.9
107.04939	7.9
107.08595	35.3
108.71216	2.6
109.02879	16.1
109.06504	10.2
109.10159	30.7
110.03665	6.7
111.04431	9.9
111.08099	8.7
111.11729	3.6
115.05426	11.7
117.03332	2.5
117.06999	13.2
117.96548	2.1
119.04933	19.0
119.08572	31.5
121.02829	6.2
121.06490	4.2
121.10120	20.7
123.04424	54.2
123.08073	4.6
123.11696	16.7
124.05205	8.4
125.05985	4.1
125.09660	6.0
127.03924	5.6
128.06238	24.4
128.07140	3.5
128.34081	2.7
129.07004	53.1
131.04921	6.0
131.08566	13.3
133.06499	6.7
133.10152	12.9
135.04364	2.9
135.08081	11.6
135.11697	15.0
137.05974	6.5
137.13228	6.0
139.03896	73.9
139.05443	11.0
139.11111	4.4
140.04172	2.5
141.06992	15.2
142.07787	4.4
143.04930	4.7
143.08539	6.0
145.02844	5.9
145.06485	9.8
145.10121	10.7
147.04408	65.1
147.05524	4.5
147.08057	10.1
147.11702	9.7
149.09619	4.8
149.13268	17.7
151.03902	16.5
153.05516	2.2
153.06993	2.7
155.04897	4.5
155.06053	2.7
156.05664	4.8
157.06477	55.6
157.10156	3.0
159.08075	6.7
159.11693	3.9
160.10962	2.3
161.06004	12.1
161.09627	8.3
161.13304	5.1
163.03932	6.1
163.07539	2.7
163.14851	11.5
165.05493	11.8
167.03484	4.4
167.04936	22.0
167.14410	2.4
168.05563	2.4
169.06473	16.7
171.04434	3.6
171.08049	5.4
171.11798	3.9
172.05225	5.3
173.05995	4.3
174.06773	6.0
175.07498	3.6
175.11119	3.6
177.05478	10.3
177.16373	4.8
184.05154	6.3
185.05946	20.4
185.13188	2.6
186.06708	2.4
187.07512	13.4
188.08299	14.5
189.09088	45.9
195.04372	5.5
199.07509	27.1
199.14900	3.0
200.04811	3.1
201.09134	5.4
202.07773	4.6
203.06934	4.9
203.08578	8.1
205.06581	2.9
207.06548	7.7
212.04613	2.8
213.05394	7.2
214.06174	3.8
215.06963	10.6
217.08562	38.0
219.08115	4.5
227.07008	28.8
231.08073	8.1
232.09692	3.7
245.08076	100.0
246.08537	3.2
248.08354	5.5
255.06647	3.2
259.07736	6.2
260.08313	2.6
263.15152	5.3
273.07593	9.0
273.12268	3.0
273.15268	2.3
273.18555	7.6
273.25629	2.3
276.07794	5.5
291.08719	65.3
291.12485	9.7
291.19492	20.4
291.23285	4.8
291.26749	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	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02378	0.6
55.01854	1.6
65.03939	0.9
67.05509	1.2
68.99784	1.8
70.54878	1.2
70.55270	0.9
72.08147	0.6
77.03916	0.7
83.04980	1.4
88.34724	0.5
91.05480	1.9
93.03376	0.9
95.04961	2.7
105.03378	0.8
107.04964	0.7
111.04436	3.3
115.05444	1.8
116.83289	0.5
119.04927	5.5
123.04424	65.8
124.04699	0.8
127.03881	1.3
133.02858	2.1
133.06487	1.3
134.05940	0.6
135.04414	0.7
137.02335	0.9
137.06055	0.6
137.68245	0.5
139.03894	100.0
140.04236	2.0
143.04918	2.5
147.03221	1.2
147.04399	22.4
151.03894	2.2
159.04489	0.5
161.05965	7.9
163.03902	1.6
165.04149	1.0
165.05473	13.5
169.04907	1.4
177.05383	1.2
179.06998	2.5
181.04982	0.8
189.05440	2.0
204.10211	2.1
207.06519	6.9
249.07501	1.1
263.15015	1.6
291.08600	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	291.0862
Annotation	(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Peak:m/z	Relative Intensity
51.02390	0.5
51.47117	0.3
51.79391	0.4
53.03931	0.6
55.01865	1.8
55.02989	0.5
55.05504	1.0
56.25312	0.3
59.79702	0.3
60.05652	0.5
65.03929	1.5
67.01853	0.4
67.05498	1.6
68.99785	2.3
69.93472	0.3
69.93806	2.1
70.06582	1.4
72.08154	8.8
74.99784	0.3
77.03968	0.4
79.05489	0.5
81.03452	0.3
83.04971	1.5
84.08143	0.8
85.02898	0.6
89.10830	0.4
91.05474	3.6
93.03405	1.3
95.04955	3.1
97.07632	2.8
98.06062	0.9
105.03419	1.1
107.04961	1.3
111.04423	3.2
114.10285	8.9
114.11121	0.4
115.05460	1.5
115.08696	0.5
115.10623	0.8
116.53057	0.3
119.04939	11.0
119.19882	0.4
123.04422	70.4
124.04743	1.1
124.23574	0.4
127.03934	1.2
128.11845	3.8
129.10219	0.5
131.04887	0.6
131.12926	0.6
133.02855	2.6
133.06470	1.0
134.05975	2.2
135.04408	0.4
137.02339	1.0
137.06012	0.6
139.03896	100.0
140.04205	1.1
143.04910	2.8
145.02864	0.8
147.04402	42.0
148.04764	0.5
150.05513	1.3
151.03917	2.6
151.07454	0.4
153.05444	0.5
161.05975	7.7
161.07245	0.6
162.05428	0.5
163.03920	2.8
165.05467	12.5
169.04965	1.4
176.10706	0.8
177.05466	1.6
178.04916	4.0
179.07022	2.6
181.04973	1.0
188.10777	0.5
189.05411	2.0
190.04965	2.0
203.11882	0.5
204.10172	2.8
205.08652	0.6
207.06519	6.4
213.05559	0.5
217.13358	1.9
218.11845	1.3
231.11305	0.9
232.09689	9.4
233.12421	0.5
235.14392	0.9
246.12476	0.5
248.14754	0.9
249.07626	1.4
260.13943	0.9
263.15079	1.4
273.07629	1.4
274.11859	1.4
274.15390	0.9
291.08691	4.0
291.14618	4.4
291.18192	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	291.0863
Annotation	(2R,3R)-3,5,7,3',5'-Pentahydroxyflavan
Peak:m/z	Relative Intensity
53.03942	0.6
55.01883	2.1
55.05512	1.3
57.03429	0.8
61.59436	0.3
65.03939	1.4
67.05500	1.7
68.99772	2.1
69.03432	0.5
70.06590	1.4
71.21527	1.0
72.08151	5.0
77.03909	1.0
78.74091	0.4
79.05496	0.5
81.03402	0.5
81.07079	0.5
83.04979	1.5
84.04487	0.4
84.08142	0.6
85.02888	0.5
91.05469	3.0
93.03410	1.6
93.07047	0.5
95.04968	4.7
97.02892	0.6
97.07646	1.0
98.06009	0.7
105.03372	2.7
105.07037	0.8
106.06593	0.6
107.04944	1.4
109.02841	0.5
111.04449	4.6
114.10283	2.9
115.05464	2.1
115.08704	1.8
119.04938	7.5
121.06571	0.5
122.05991	0.5
123.04426	72.1
124.04782	1.0
124.26993	0.4
127.03912	1.8
129.07077	0.4
131.04933	0.7
133.02850	14.7
133.06506	1.3
134.06017	4.3
135.04431	1.0
136.06174	1.6
137.02339	1.0
137.05923	1.2
139.03896	100.0
140.04234	1.7
143.04906	3.5
147.04399	27.1
150.05499	1.6
151.03928	2.6
151.07498	0.8
153.05513	0.9
161.05981	9.5
162.05449	0.8
163.03879	2.0
165.05479	13.2
169.04887	1.1
177.05476	1.1
179.07010	2.8
181.04979	0.9
189.05508	1.6
201.10251	0.5
203.11813	2.5
204.10193	10.8
207.06503	6.7
217.65512	0.4
231.06639	0.8
231.35655	0.5
232.09700	1.3
232.41422	0.4
233.12346	0.7
238.09583	0.4
246.12309	2.7
248.07794	0.4
249.07584	1.4
249.12404	0.4
250.12984	0.4
263.15027	15.5
273.07556	1.7
291.08469	3.5
291.14459	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	290.2114
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01872	1.8
55.05506	1.5
56.17869	0.3
57.07066	0.6
67.05496	0.5
69.03424	0.5
69.07065	3.5
70.06599	1.5
70.40408	1.1
73.02921	3.2
73.06551	1.4
75.40035	0.2
79.05488	0.9
79.18468	0.3
81.03403	0.4
81.07049	0.8
83.04959	0.4
84.04509	0.5
84.08149	0.5
85.28641	0.2
88.07637	1.0
91.05469	1.0
91.77897	0.3
93.07042	1.0
95.04965	0.3
95.08604	0.7
105.07011	0.5
107.04959	0.6
107.08574	0.5
109.06523	0.9
117.07029	0.6
118.06541	14.3
119.07331	0.4
119.08575	0.9
120.08142	0.5
121.10158	0.4
123.04484	0.4
126.05488	0.6
131.08612	0.3
132.08095	4.9
132.10185	1.9
133.08888	1.4
133.09892	0.3
134.09644	0.5
135.08064	0.8
139.03860	0.4
143.88176	0.3
145.10118	0.4
146.09647	4.7
147.10425	0.5
150.11259	1.9
151.11218	0.3
159.11693	0.4
160.11214	0.6
165.33258	0.3
176.14349	50.3
177.05486	0.3
177.14651	0.7
202.15936	0.9
232.13429	0.7
246.14894	1.2
246.24344	0.4
247.15700	0.6
260.16473	0.9
266.74524	0.3
278.81732	0.3
290.21140	100.0
290.26813	6.8
291.21777	3.9
308.51572	0.3
313.04630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.8
56.05037	12.2
57.07076	8.9
58.06599	6.8
60.04512	1.6
68.05007	0.9
69.03405	0.4
69.07071	0.6
70.00928	2.1
71.08631	4.8
72.61956	0.3
74.06080	10.5
85.10191	0.9
86.06074	2.3
88.07631	44.6
92.36135	0.3
98.21564	0.4
104.07101	0.5
118.08656	7.8
122.08144	6.8
210.22142	0.5
241.35924	0.3
242.24789	43.7
243.25073	0.4
272.25888	1.8
290.26889	100.0
291.27219	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01854	4.7
55.05512	18.7
56.05031	7.0
56.96558	3.9
57.03416	3.0
58.99595	5.4
60.04529	16.7
62.99052	2.5
65.03920	5.4
67.05502	23.1
67.51038	2.5
69.03426	5.3
69.07072	9.8
70.02950	7.8
70.06586	13.1
70.59758	9.6
71.04987	4.9
72.08162	5.5
72.93814	2.6
74.06071	7.9
79.05491	64.1
81.07056	63.2
83.04977	27.7
84.04502	12.7
84.08129	11.9
85.02895	4.1
85.06567	3.6
86.06064	2.9
86.09704	70.1
86.99030	3.3
87.05582	6.9
88.02211	10.5
88.03992	55.0
89.00602	5.0
91.05480	78.3
93.07043	100.0
95.04964	11.7
95.06095	4.3
95.08607	52.0
97.01154	2.7
97.06521	2.5
99.02690	6.1
100.70190	2.7
101.06023	7.0
103.05460	4.8
105.07030	97.1
107.08591	71.9
109.06519	12.1
109.10161	9.4
111.02604	2.8
111.05576	6.7
113.05991	3.3
116.98599	3.6
119.01635	5.1
119.04970	2.7
119.08561	5.4
121.10142	48.5
122.02732	3.5
123.02753	2.9
123.04453	5.9
123.05516	6.5
123.08018	2.9
123.11702	9.0
124.05905	4.1
127.03979	4.0
128.07085	3.4
128.10701	5.4
130.04941	3.0
130.06528	12.4
131.08585	13.9
133.10132	91.2
134.99611	2.9
139.03889	6.8
141.06587	5.6
142.06958	3.4
143.11789	5.5
147.04385	3.1
150.96887	3.1
151.11140	13.9
160.04251	4.5
165.07320	3.8
169.12286	11.8
170.20670	2.7
173.12852	72.1
183.08357	11.5
185.09981	13.0
187.14349	2.6
200.09938	2.3
201.09450	57.9
201.12381	10.6
210.56361	2.6
210.72945	2.4
215.94138	2.4
242.15935	2.7
253.52019	2.4
255.11385	2.4
267.83398	2.6
272.13235	6.5
272.16763	10.1
273.11618	5.6
290.14093	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	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
50.55080	1.3
53.03949	1.7
53.53165	1.2
55.01871	1.7
55.05511	22.9
59.04986	2.1
65.03934	2.8
67.05185	1.7
67.05507	25.1
67.43285	1.3
69.07071	17.2
69.87699	7.2
71.04980	1.3
73.06536	2.9
79.05488	23.0
81.03374	1.2
81.07056	27.1
83.08616	7.0
83.30578	1.1
85.06533	5.7
87.08082	1.1
91.05479	70.8
93.07037	22.9
95.04968	3.0
95.08603	19.5
97.06534	2.9
97.10130	1.4
98.20795	1.3
99.99549	1.3
103.05444	2.1
105.07027	100.0
105.49392	1.2
107.08595	16.8
108.49699	1.3
109.06476	1.9
109.10160	6.9
116.30627	1.3
117.07014	16.2
118.07785	1.4
119.08577	65.6
120.08951	1.7
121.10143	8.1
123.08058	1.3
129.06998	5.3
131.08569	24.5
133.10124	67.1
134.10452	2.3
135.08046	2.3
135.11678	3.3
141.06978	1.4
143.08525	4.7
145.10106	22.0
147.11684	29.8
149.09641	2.5
149.13239	1.6
155.08546	2.2
157.10129	4.6
159.11688	18.3
161.09647	1.2
161.13237	12.9
163.11090	1.6
169.10152	4.8
171.11678	5.2
173.09560	1.2
173.13252	18.0
175.11266	1.1
175.14745	1.7
183.11736	3.7
185.13266	2.6
187.11125	1.8
189.12769	1.8
197.13216	4.2
200.15422	1.2
211.14729	1.6
215.18034	3.4
219.13834	1.3
229.15689	1.5
229.19543	2.2
239.17958	7.1
257.19006	12.5
267.76019	1.4
288.04663	1.4
289.21603	97.6
290.21887	3.7
308.22232	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	Normethandrolone
Peak:m/z	Relative Intensity
55.05503	20.7
57.07058	8.0
63.58331	5.1
67.05514	25.6
69.07066	48.6
70.07292	3.8
75.84489	4.3
79.05503	13.6
81.07058	35.7
81.84589	4.3
83.04976	14.4
83.08607	4.9
85.06526	7.2
91.05478	44.0
93.07055	27.7
95.04987	12.4
95.08610	35.3
97.06525	8.3
97.10185	6.0
105.07027	66.1
107.08567	22.1
109.10172	17.1
117.07027	14.0
119.08582	64.1
121.06483	5.4
121.10129	22.9
123.11722	28.1
129.07053	5.2
131.08559	22.8
133.10126	33.5
135.11700	5.1
143.08598	12.2
145.10120	36.4
147.11703	23.7
149.09505	5.2
149.13336	4.9
155.08502	4.6
157.10135	14.1
159.11674	27.0
161.13249	31.8
166.18710	4.4
171.11731	12.5
173.13280	19.6
175.14818	49.1
187.14836	5.7
199.00952	4.3
201.16376	13.3
208.92754	5.5
213.16486	5.4
215.14363	9.0
215.17981	7.7
217.19490	5.3
227.18010	6.5
243.21092	15.7
253.19554	4.4
257.18976	7.6
271.20547	17.7
289.18399	7.8
289.21625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94670	1.2
53.03942	1.9
55.01866	1.7
55.05507	22.4
56.18104	1.4
59.05000	1.6
66.71242	1.1
67.05502	21.6
69.07069	13.7
70.72175	1.8
70.72528	4.2
73.06560	2.4
79.05495	17.0
81.07058	25.9
82.45074	1.3
83.05028	2.6
83.08622	10.4
85.06556	3.8
87.08131	1.4
91.05480	58.7
93.07048	19.8
95.04975	3.9
95.08601	14.5
97.06560	2.2
97.10158	7.6
103.05453	2.1
105.07030	100.0
106.07387	1.7
107.08599	13.1
108.40089	1.2
109.10179	5.4
117.07030	14.3
119.08583	53.2
121.10173	6.5
125.09637	5.4
129.07018	4.0
131.08566	25.6
133.10132	58.9
134.10414	1.3
135.11708	3.4
141.07008	2.1
143.08565	6.2
145.10120	44.6
146.10817	2.2
147.11685	48.5
149.13309	1.7
155.08531	3.2
157.10117	5.4
159.11693	13.5
161.13226	8.1
163.11227	1.6
169.10202	2.5
171.11688	6.6
173.13245	8.4
175.11023	1.9
175.14709	1.9
183.11697	5.5
185.13214	1.7
187.11201	2.4
197.13278	4.9
201.12796	1.8
215.14464	1.9
215.18045	2.4
229.19530	1.6
239.17906	9.7
257.19003	27.8
289.21606	89.4
290.21872	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	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03917	2.1
55.05508	32.1
59.04987	1.9
65.03918	2.1
67.05500	20.1
69.03420	2.6
69.07069	15.0
70.82939	4.7
72.75572	1.3
73.06530	1.4
79.05495	19.7
81.07059	24.1
83.04990	3.3
83.08621	9.6
85.06523	4.8
87.08056	1.4
87.17573	1.6
91.05480	62.4
93.07047	19.4
95.04977	2.8
95.08606	17.4
97.06519	3.2
97.10167	7.8
99.08109	1.5
100.96289	1.7
101.96541	1.4
103.05450	2.6
105.07028	100.0
106.07339	2.2
107.08574	16.9
109.06487	2.1
109.10138	6.2
111.08055	1.7
116.16440	1.6
117.07010	12.9
119.08575	58.2
121.06503	3.4
121.10117	6.8
123.08054	3.8
123.10648	1.3
123.11716	1.8
125.09636	4.6
125.62758	1.3
129.06985	3.4
131.08557	23.5
132.09341	2.2
133.10121	55.1
135.08054	4.3
135.11685	2.7
141.06993	2.4
143.08559	5.9
145.10112	47.6
147.11674	45.2
148.11940	1.7
157.10091	4.4
159.11684	18.4
161.09567	2.2
161.13278	11.2
163.11147	3.7
169.10091	3.7
171.11656	8.2
173.13229	11.6
175.11179	2.1
175.14792	3.6
177.12747	3.0
183.11687	4.4
185.13379	2.8
187.14824	2.4
189.12834	2.2
197.13307	4.7
201.12753	1.9
211.14799	2.4
215.14326	1.8
215.18033	2.1
219.13605	1.5
229.19371	2.0
239.17937	11.5
243.21239	1.4
257.18951	28.6
261.22250	2.7
289.21613	91.3
290.22028	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	289.216
Annotation	Pipataline
Peak:m/z	Relative Intensity
52.86091	1.2
53.03936	3.8
54.48045	1.4
55.05515	18.7
59.05006	2.5
61.00793	1.5
67.05505	21.2
69.07066	17.6
69.07424	2.4
70.00014	5.1
70.00424	2.1
71.04966	1.3
73.06538	1.8
79.05486	23.4
81.07055	27.2
83.04966	1.7
83.08607	6.2
85.06544	3.0
91.05479	60.6
93.07036	23.3
95.04963	2.1
95.08614	18.8
97.06509	2.9
100.61283	1.3
103.05441	2.6
105.07028	87.7
106.07402	1.8
107.08585	14.8
109.06547	1.9
109.10169	4.8
111.08037	1.6
115.05433	2.7
117.07018	14.2
119.08584	60.6
121.10108	7.7
123.08060	1.5
129.06969	5.6
131.08568	23.7
133.10124	52.2
135.08084	2.3
135.11678	4.4
141.07036	1.8
143.08575	4.4
145.10110	22.0
147.11685	35.2
155.08557	2.9
156.59502	1.4
157.10126	7.5
159.11682	19.5
160.81146	1.6
161.13261	13.7
163.11237	1.7
169.10127	2.7
171.11664	4.7
173.13280	20.1
175.11176	2.2
175.14795	3.3
183.11720	4.9
185.13287	1.8
187.11176	4.0
187.14725	2.1
197.13283	2.8
211.14810	1.8
215.17940	4.0
229.19472	3.3
239.17857	6.7
257.18982	12.5
289.21603	100.0
290.21854	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	289.1797
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
53.03944	4.3
55.01868	11.5
55.05262	3.0
55.05510	39.9
57.03432	38.4
59.04992	3.4
65.03940	7.2
67.05502	58.8
67.35775	1.8
69.03419	5.4
69.07066	20.5
69.54526	6.0
69.54948	8.6
71.04983	5.3
73.06547	3.9
79.05492	58.1
81.03393	4.5
81.07054	54.0
83.04978	63.9
83.08624	10.4
85.06532	9.4
91.05479	85.1
93.07040	50.9
95.04958	15.5
95.08605	34.1
97.06538	6.0
97.10191	4.1
99.04465	15.5
103.05453	6.1
105.07025	77.8
107.04960	40.6
107.08595	27.4
109.06512	25.3
109.10159	14.4
111.04446	22.0
111.08033	4.4
113.06010	3.3
115.05443	9.3
116.06300	2.5
117.07010	29.3
119.04903	2.3
119.08580	54.7
119.09448	2.7
121.06501	10.5
121.10137	13.9
123.04421	2.0
123.08080	8.0
123.11681	2.2
125.06002	11.4
128.06221	8.3
129.07022	12.4
130.07741	2.5
131.04906	2.8
131.08572	45.0
132.05717	2.2
133.06464	19.2
133.10129	42.4
135.04428	2.3
135.08041	18.2
135.11665	9.6
137.06000	7.4
137.09616	4.7
141.07018	7.8
142.07869	2.7
143.08565	13.7
145.06448	8.8
145.10115	30.4
147.08043	17.8
147.11679	22.2
149.06000	7.5
149.09634	11.5
149.13277	3.6
151.07558	7.7
151.11035	2.1
155.08571	10.4
157.10121	10.7
159.08047	19.6
159.11700	17.3
160.08881	4.2
161.05988	2.1
161.09621	21.8
161.13260	13.1
163.07596	4.8
163.11223	6.2
169.10109	10.0
171.08147	2.5
171.11646	11.5
173.09663	10.6
173.13248	17.9
175.11218	8.2
175.14754	3.8
177.09186	5.0
177.12746	16.1
183.10204	2.4
183.11754	6.1
185.09703	1.9
185.13188	3.6
186.46962	2.1
187.11162	5.9
187.14844	8.1
189.09177	3.3
189.12756	4.9
197.13272	5.6
199.11218	4.2
201.09100	2.4
201.12816	5.4
205.15900	8.3
211.14815	2.7
213.16478	2.9
215.14316	11.6
215.17940	8.8
217.12221	4.0
225.16364	4.6
229.19511	3.4
233.15350	23.1
239.17999	7.0
243.17583	9.4
253.15953	4.9
257.19049	6.3
261.18481	26.0
271.16962	22.5
289.06027	1.8
289.17996	100.0
289.21609	45.5
290.18372	2.8
312.60840	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36317	1.2
50.47476	1.0
50.58393	0.9
51.66473	0.9
53.04656	0.9
55.05507	3.7
57.03438	1.4
59.05002	5.2
60.04538	1.3
61.02922	9.4
65.03959	1.3
68.05023	4.1
69.03429	1.1
69.61167	7.5
70.06584	2.2
71.04992	8.9
72.08134	1.4
79.05479	4.4
81.03433	1.1
81.04533	15.3
81.07053	26.2
82.05312	9.2
83.06097	3.8
84.04512	2.0
84.08131	1.3
86.09705	2.2
87.08087	2.2
95.06087	34.3
111.05560	74.3
113.09574	1.2
123.04612	2.5
123.05550	70.3
127.03918	5.8
135.04410	4.6
139.03894	15.2
141.06581	100.0
151.03912	1.8
163.03900	1.3
163.12321	5.8
171.08330	1.0
175.12328	1.2
191.11864	3.0
209.12836	7.9
221.12825	18.5
223.14392	1.2
239.13887	32.9
241.15482	13.1
253.15491	2.5
271.16513	82.5
272.16937	1.9
289.12463	2.8
289.17566	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1796
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
53.03935	5.7
55.01860	7.3
55.05267	2.8
55.05509	36.7
57.03180	2.2
57.03433	21.8
57.07058	2.9
59.04987	3.2
62.34381	1.5
64.49071	1.6
65.03951	1.8
67.05504	41.6
69.03391	3.1
69.07065	16.5
70.78236	3.1
70.78577	2.4
71.04986	2.3
73.06538	2.2
79.05490	38.6
81.03401	2.5
81.07053	40.6
83.04493	2.0
83.04976	35.8
83.08616	12.0
85.06525	5.2
89.84300	1.5
91.05477	83.2
93.07041	36.5
93.18037	1.5
95.04943	12.4
95.08596	23.3
97.06511	4.6
97.10143	5.4
98.21471	1.7
99.04454	8.6
99.08056	1.9
103.05462	4.6
105.03398	1.8
105.07027	100.0
107.04279	2.8
107.04948	26.9
107.08591	18.0
109.06507	16.7
109.10121	7.5
111.04443	16.4
111.08085	5.9
113.05991	3.1
115.05454	5.5
116.06236	2.3
117.07013	24.9
119.08575	64.3
121.06501	9.4
121.10143	8.4
123.04420	5.3
123.08097	4.2
123.11650	2.0
125.05964	8.8
125.09625	3.8
125.62007	1.6
128.06207	5.8
129.07004	10.1
130.07782	1.6
131.04956	2.4
131.08563	32.8
132.05676	2.1
133.06490	11.6
133.10126	53.6
135.04417	5.8
135.08055	14.8
135.11682	7.2
137.05978	4.2
137.09589	3.4
139.03862	1.9
139.07596	1.6
141.06972	4.1
142.07753	3.1
143.08560	12.7
145.06442	6.5
145.10120	32.8
147.08032	8.9
147.11682	29.9
149.05969	4.6
149.09619	4.6
151.07561	2.4
155.08536	4.8
157.10123	9.4
159.08040	10.0
159.11690	16.9
160.08763	1.8
161.09654	11.3
161.13235	8.7
163.07568	2.5
163.11172	5.6
169.10123	6.9
171.11664	7.7
173.09601	5.5
173.13248	11.0
175.07483	2.5
175.11200	5.9
177.12793	8.2
178.13417	2.3
183.11649	4.9
185.09573	2.1
185.13158	2.1
187.11125	2.9
187.14830	4.8
189.09137	1.9
189.12758	4.5
189.60640	1.9
194.62836	1.7
197.13255	7.7
199.11171	2.0
201.12807	2.2
205.15807	3.9
211.14816	2.7
215.14235	4.7
215.17969	4.4
217.11971	1.9
225.16353	3.2
228.76149	1.7
233.15321	12.9
239.17905	5.9
243.17462	5.8
245.15286	1.8
247.16928	2.0
253.15825	4.7
257.18930	15.6
261.18494	13.3
271.16940	12.3
284.07990	1.6
289.06128	2.2
289.15109	1.6
289.17978	55.4
289.21579	68.5
289.29214	13.2
290.18427	2.3
290.21786	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1545
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
50.56763	0.2
53.03952	0.3
53.29501	0.2
53.37391	0.4
55.05495	0.8
55.06148	0.2
56.73959	0.3
57.03418	0.4
57.07055	0.3
60.44102	0.3
65.03942	0.5
67.05488	1.2
69.07057	0.9
70.98777	0.8
79.05488	2.8
80.04996	0.4
81.03413	0.5
81.05773	0.5
81.07050	2.3
83.04975	0.4
84.04502	0.7
85.56573	0.2
88.30545	0.2
91.05470	5.8
92.06264	0.5
93.07034	2.0
93.62808	0.3
94.06560	1.1
95.04963	0.9
95.08600	1.6
96.08133	2.4
97.06505	0.3
103.05491	0.4
104.04980	0.7
105.07018	1.5
106.06544	1.7
107.08565	1.1
108.08104	1.1
109.10131	0.7
109.68774	0.3
116.04950	1.1
117.05769	1.8
117.06930	0.4
118.06535	6.3
119.07325	0.7
119.08565	1.0
120.08092	12.2
121.06489	0.3
121.10133	0.7
122.09641	0.9
123.04417	0.4
123.11674	0.5
124.07583	10.3
126.05490	0.8
126.09149	1.0
129.06976	0.4
130.73767	0.2
131.08586	0.6
133.05228	0.5
133.10136	0.9
134.06003	5.6
135.04404	1.1
135.08038	0.3
136.07574	7.1
138.05501	2.3
138.09126	0.7
145.10080	0.4
146.05991	4.2
147.06815	2.3
147.11658	0.8
148.06375	0.6
148.07570	10.7
149.08095	0.3
149.13187	0.3
150.09135	1.1
152.07011	1.4
159.08012	1.4
159.11658	0.4
161.13258	0.4
163.03946	0.5
164.07054	100.0
165.07549	2.5
166.08638	3.3
170.09590	0.6
173.13246	0.3
174.09108	0.3
174.12732	0.3
180.06540	0.4
185.13199	0.3
198.12589	0.3
200.10638	0.5
202.12334	0.4
214.11003	0.8
215.15474	1.3
216.10225	2.6
226.12206	0.6
228.10228	0.4
229.13411	1.3
232.09752	0.3
242.10379	0.3
243.11266	0.5
243.14911	5.8
243.17224	0.5
245.16422	1.7
253.13316	1.0
254.11769	1.1
271.14398	21.2
272.14740	1.0
289.15436	61.7
289.25211	1.2
290.15750	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Neoplathymenin
Peak:m/z	Relative Intensity
50.88557	1.1
53.03938	1.8
55.01851	3.5
55.05508	1.8
56.96562	1.6
65.03936	4.3
67.05501	6.8
68.99778	4.5
69.03439	2.0
69.07034	1.6
69.48065	3.5
69.48477	6.4
77.03924	1.3
79.05488	6.0
81.03409	2.1
81.07051	3.4
83.01318	1.6
83.04980	2.4
84.04482	1.6
85.02901	2.2
89.03898	4.1
91.05482	5.7
93.07020	3.8
95.01362	1.2
95.04980	8.1
95.08584	2.4
97.02925	1.4
98.21555	2.4
98.97535	2.0
99.04447	1.3
103.05478	2.5
105.03419	2.6
105.07024	4.9
105.39002	1.2
107.04952	18.2
107.08602	3.2
109.06525	1.2
109.10178	5.4
111.04425	8.5
115.05396	1.9
116.98624	2.1
117.03342	4.5
117.07036	3.3
119.08566	3.9
121.02858	2.6
121.06490	2.1
121.10161	3.5
123.04428	100.0
123.08011	1.5
124.04739	1.4
127.03910	10.4
128.06216	2.3
129.07002	2.3
131.04942	5.7
131.08569	4.1
133.10121	2.8
134.99751	1.4
135.04416	37.2
135.11682	1.1
137.02328	2.5
137.05959	1.8
139.03897	29.5
141.07013	3.2
142.07785	1.7
143.08575	2.1
145.02843	5.6
145.06480	2.2
145.10139	3.7
147.04405	2.4
147.07980	1.8
149.02336	14.6
149.05974	3.0
151.03885	8.1
152.05705	1.3
153.01837	18.7
155.08524	2.7
157.06490	1.1
157.10124	3.0
159.04390	2.0
159.08035	2.5
159.11696	2.1
161.05946	1.4
161.09584	1.3
163.03914	34.5
163.07568	1.5
167.03412	1.4
169.06500	2.8
169.10130	1.6
171.08051	3.4
171.11700	1.6
173.05980	2.6
173.13249	2.6
175.07587	1.3
177.05486	2.1
181.06284	1.2
183.11615	1.2
185.05931	1.8
185.09650	1.7
185.13252	2.3
187.03833	5.5
191.06779	2.0
195.02866	1.5
197.05983	4.3
199.14824	1.1
201.05605	1.2
201.09065	1.2
205.04991	3.8
213.05681	1.4
215.07045	17.2
215.10715	1.1
225.05467	1.8
229.04871	1.5
229.15668	1.5
231.06496	2.5
241.15855	1.8
243.06531	16.5
245.04410	2.2
253.05141	1.2
253.13002	1.5
253.15895	1.4
259.06000	2.5
261.07590	1.7
271.06030	11.0
271.10403	1.4
271.14197	1.2
271.16980	4.1
289.07022	14.3
289.15021	2.6
289.17978	9.2
300.51385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.97557	1.0
56.96560	3.7
57.03432	3.1
58.06607	1.6
58.99861	2.5
59.67981	0.8
60.04504	0.9
60.05639	2.1
61.02921	3.9
67.53480	0.8
68.05040	1.3
69.03418	6.0
70.06592	15.4
71.04996	1.6
71.06918	3.9
71.30530	1.6
71.30874	1.3
72.08155	12.9
73.02903	2.6
74.08965	0.9
77.00904	2.7
81.03408	3.2
81.04531	8.4
82.99855	1.4
84.04494	2.6
84.08142	7.8
85.02894	9.5
86.09686	2.1
91.05461	1.0
93.07039	2.0
94.06567	3.3
95.01959	1.6
95.06085	2.7
97.02882	5.2
98.03220	1.2
98.97588	3.0
99.04443	1.4
100.07610	1.7
101.00865	12.9
106.02789	0.9
109.02880	3.0
109.07642	1.1
110.06026	1.0
110.07154	2.2
110.09684	1.8
112.08732	1.6
113.01706	0.9
113.09015	1.2
114.09165	1.3
115.02431	9.5
116.07088	3.0
116.98609	2.9
119.01912	100.0
120.01987	2.2
121.01637	1.4
121.03443	1.1
121.95030	0.9
124.02866	1.1
124.07502	1.0
125.07151	1.3
127.03918	5.1
127.05038	14.5
127.05911	1.8
127.08679	4.0
128.98584	1.1
129.03966	2.4
129.10217	1.3
130.08711	1.6
131.00243	1.5
131.01898	10.1
133.03465	29.2
134.99684	1.4
135.05045	1.7
137.02946	40.5
138.03088	1.4
138.05499	2.5
141.06729	0.9
142.03505	3.8
142.08621	1.1
143.01886	13.8
144.99841	3.6
145.03447	5.4
146.02289	1.0
146.99603	3.4
147.01337	1.5
147.04991	5.2
148.05168	0.9
149.01202	1.2
149.02953	3.2
151.04535	6.8
155.01860	1.1
157.03502	3.4
159.01285	1.5
160.04445	0.9
160.07657	1.0
160.09738	1.3
161.02946	58.2
162.03127	2.1
163.00826	1.5
163.04512	2.0
168.99835	6.9
169.03545	1.6
171.01334	6.2
171.05064	1.6
171.24484	1.0
171.54468	1.0
173.02989	7.7
173.04465	1.0
173.04730	0.8
175.00880	2.1
175.04526	2.5
175.11952	2.6
176.12193	1.4
176.56058	1.4
177.00667	1.3
177.02463	1.9
177.04079	1.7
177.05901	1.4
178.05000	2.8
179.02405	1.6
179.04004	4.4
184.04584	4.2
185.03053	1.3
186.04655	1.9
186.06293	1.2
187.00871	22.7
187.04506	4.6
187.06055	1.1
189.00780	1.9
189.02434	16.3
190.51236	1.0
191.00395	1.0
191.02341	1.6
191.04004	8.8
193.01913	1.5
193.03609	1.3
196.99362	3.1
197.03062	1.0
199.00824	7.6
200.12764	1.6
201.02473	2.8
203.04082	2.1
205.01935	7.7
207.03505	5.3
212.04068	1.1
214.05540	1.2
215.00371	25.3
217.01947	20.1
219.01572	1.7
219.03470	6.7
221.05128	1.6
227.04187	1.3
227.07985	1.3
229.01964	4.9
230.15919	1.9
231.03488	1.7
233.01488	4.2
235.02991	1.9
237.02731	1.1
238.02060	2.1
240.03398	1.3
247.00827	1.6
247.03053	16.9
248.40834	1.0
265.03998	7.0
270.04602	1.5
272.18085	1.4
275.02606	2.1
277.04022	1.5
289.04010	3.6
289.08142	2.1
289.11450	4.4
289.14731	2.2
289.20676	5.9
290.12378	1.4
307.05026	3.7
307.08603	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.203
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
50.61385	0.7
55.05527	1.0
56.05033	1.1
56.96558	7.5
57.03429	2.1
58.06607	1.2
60.04525	0.8
60.05650	18.9
60.08172	1.2
61.02927	2.2
64.64744	0.7
68.05027	1.4
69.03424	4.0
69.07070	2.7
70.06591	100.0
70.52736	2.4
70.53095	0.7
71.04994	3.6
72.08154	6.9
73.02918	2.7
74.06097	0.9
81.03416	1.9
82.06611	1.0
83.06094	1.2
84.04510	1.7
84.08140	7.8
85.02899	5.6
85.06597	0.9
86.06086	0.9
86.09703	21.0
87.04461	1.1
93.07039	0.7
95.06087	1.9
97.02356	0.9
97.02880	3.8
97.07647	2.3
98.06059	2.6
98.97583	4.3
99.04494	0.9
100.07610	1.4
101.00893	2.8
106.02891	1.2
107.04956	2.0
109.02857	0.8
110.07178	2.1
112.07558	0.9
112.08723	11.1
112.99161	1.2
113.00858	0.7
114.09104	0.7
114.10304	1.0
115.02454	1.2
115.08714	2.1
116.07098	11.2
116.98638	2.8
119.01916	18.8
124.07592	1.7
126.05529	3.4
127.03945	1.7
128.02309	2.0
128.98618	1.5
129.10228	1.4
130.08745	1.0
130.09770	3.5
131.00200	1.6
131.01918	4.8
133.03477	6.4
134.99655	1.5
136.04549	0.9
136.06203	2.7
137.02946	7.0
140.02330	1.1
140.08202	1.7
141.03119	0.8
143.01918	1.1
145.01744	0.9
145.03482	2.4
146.99626	2.3
147.01419	1.0
149.01208	1.5
151.04555	1.5
155.01894	1.0
156.11320	1.5
156.99252	0.8
157.03442	1.4
157.10902	2.3
158.09274	6.7
158.99702	1.0
161.01601	1.1
161.02940	8.3
163.04533	2.2
165.00771	1.3
166.12244	0.9
168.99773	1.2
169.04475	1.6
170.08148	0.8
171.54311	0.8
173.02985	2.2
175.00888	0.8
175.04546	0.9
175.11909	30.3
177.00677	1.0
178.04939	11.6
178.55173	1.7
183.15004	1.4
184.04916	1.0
186.06165	1.0
187.00928	3.5
187.04445	3.9
189.02432	2.5
189.55853	1.2
191.03935	1.5
193.03838	1.3
193.05484	1.8
198.04689	0.8
199.00902	1.4
199.04510	2.1
205.01939	0.9
205.05565	1.7
207.03424	1.5
207.05145	1.3
208.14462	1.5
211.04790	2.0
212.12758	1.5
215.00394	2.4
217.01968	4.4
217.05568	1.0
219.03528	1.4
224.08205	1.0
225.16971	1.5
228.17076	2.6
229.02031	1.0
229.05702	1.5
229.15457	19.7
235.02950	1.0
237.02663	1.4
242.05864	1.1
247.03163	2.0
253.16573	1.3
254.15050	1.4
265.04025	1.4
270.19238	0.8
271.17606	11.3
271.20233	1.1
288.10388	1.2
288.20288	66.0
289.04059	0.8
289.07684	2.2
307.05252	1.5
307.08737	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72264	0.9
55.01868	1.9
55.05513	9.6
56.05016	1.4
60.04517	2.6
60.05653	0.9
61.01146	0.7
65.03931	1.1
67.05497	1.3
68.99794	1.3
70.06591	9.6
71.04980	1.1
71.57647	1.0
71.88063	0.9
72.08154	100.0
75.15076	0.7
78.51021	0.8
79.05511	1.1
81.07059	1.9
84.04525	1.7
84.08141	2.8
86.09704	33.5
88.03970	2.9
89.03896	1.0
91.05462	3.0
93.07038	5.6
95.05003	1.0
98.06041	2.8
98.21630	0.7
98.97571	0.8
102.13739	0.8
104.07085	1.2
105.07020	1.0
106.05039	1.4
107.04939	2.1
107.08549	1.8
108.36195	0.8
111.04425	4.3
111.08067	1.1
113.07110	1.0
116.07047	1.0
116.98573	1.3
119.08600	1.5
120.08098	3.5
121.02811	1.1
121.10130	2.6
123.04436	9.5
124.07587	1.1
127.03926	11.2
129.10236	51.6
130.06537	1.3
131.04932	1.2
132.10193	13.2
135.04410	16.9
136.06116	0.9
136.07610	3.8
139.04004	5.3
143.11778	8.6
147.04410	0.9
147.11249	1.0
149.02284	2.4
149.05991	1.0
149.09541	1.0
151.03894	3.2
157.09727	14.2
157.13435	1.2
161.05991	1.0
163.03860	4.0
163.99902	1.0
164.07028	1.2
171.11256	1.4
185.03838	6.4
185.05229	0.9
189.12332	10.4
195.04935	0.8
242.05730	1.2
243.06541	0.9
243.14841	2.2
271.05957	2.5
271.14340	2.6
288.05911	24.7
288.13751	1.0
288.20370	1.6
289.06805	3.0
289.11578	1.1
289.14761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
55.05512	8.0
55.31445	1.5
55.31725	1.5
57.07055	6.9
60.83782	1.4
62.06087	1.5
63.00060	2.0
64.99745	2.0
67.05505	18.5
68.99767	3.3
69.07076	8.5
70.06567	2.2
71.04959	1.7
71.08653	2.0
71.58765	1.7
71.59131	2.3
72.08157	11.4
74.07584	1.9
79.05499	16.2
81.07055	29.9
83.08613	3.4
88.07647	2.4
90.09181	7.4
91.05477	17.4
91.09471	1.6
93.07040	25.6
95.04958	4.0
95.08597	27.5
97.06542	2.2
97.10155	2.3
98.98434	2.5
105.07028	26.7
105.90802	1.5
107.08595	24.5
109.06486	1.9
109.10139	20.2
113.09628	2.2
117.06998	6.0
119.08577	19.9
121.02849	5.1
121.06477	4.2
121.10147	13.8
123.11687	8.5
123.96370	1.7
127.03768	2.0
129.06992	6.3
131.08563	10.4
133.06563	1.7
133.07645	1.7
133.10146	14.5
135.11713	16.5
137.02335	4.4
143.08549	4.0
145.10127	14.3
147.04381	4.2
147.11723	13.4
148.94208	2.0
149.09680	2.4
149.13272	4.1
153.01836	9.8
156.09343	2.6
157.10130	7.3
158.10901	2.3
159.11699	13.8
161.13251	20.0
163.14818	3.5
165.01817	4.1
171.11690	5.5
173.13203	10.4
175.14828	9.3
177.12706	2.4
179.14246	2.8
185.06073	1.9
185.13283	7.1
187.14789	10.4
190.95369	1.7
199.14818	6.6
201.16417	4.2
208.96443	2.7
211.15033	1.9
213.05502	3.9
213.16443	8.7
217.15858	2.0
224.96632	2.1
227.17995	3.7
229.19524	4.5
231.17482	3.1
231.25148	2.8
241.04962	2.5
269.19232	2.8
269.22552	23.6
287.05487	100.0
287.20215	5.2
287.23669	42.5
287.31363	67.7
288.05774	8.5
288.23987	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
50.01947	2.5
51.10271	2.4
51.78151	2.2
55.05504	3.8
57.03431	2.5
57.07058	6.9
63.00042	3.0
67.05477	11.0
68.66286	2.5
68.67798	2.5
69.07043	9.1
71.08630	3.1
71.58246	5.5
79.05486	14.8
79.65378	2.3
81.07047	21.7
83.04983	3.0
83.08617	4.3
91.05473	11.7
93.07049	15.5
95.04973	3.5
95.08606	14.8
105.07009	9.1
106.81122	2.5
107.08569	12.7
109.10161	7.2
117.07016	4.2
119.08596	12.0
119.09454	2.7
121.02838	6.4
121.10153	19.0
123.08058	2.8
123.11678	10.7
131.08598	17.9
133.10133	11.6
133.95523	2.6
135.11652	3.4
137.02339	3.5
137.13246	6.5
145.10138	10.7
147.04410	3.8
147.11682	3.8
149.09624	12.0
153.01852	11.5
157.10095	3.9
159.11690	8.1
161.13176	3.2
163.11215	2.8
165.01848	3.7
167.10707	2.7
173.13264	7.1
175.14882	3.5
176.12845	3.8
185.13387	3.0
189.14456	2.7
199.14832	4.6
213.05434	3.7
213.16176	4.1
237.26329	2.6
256.26318	3.9
269.22595	40.3
287.05481	100.0
287.20328	5.5
287.23697	13.8
288.05753	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	287.0911
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
55.05478	0.9
65.03931	1.5
70.40403	1.1
70.40802	1.3
78.04648	0.5
81.07023	0.9
83.04939	0.8
91.05475	11.2
93.07034	1.0
95.04933	1.1
95.08596	0.8
96.63179	0.5
99.05682	0.5
105.06989	1.1
106.00503	1.0
107.01293	1.5
107.04965	0.7
107.08611	0.9
109.14840	0.5
111.04424	1.2
112.24471	0.5
119.04935	24.8
120.05755	0.9
121.02856	1.9
123.04427	1.2
124.01543	5.2
131.08574	0.9
133.02795	0.7
133.10080	0.7
137.02357	1.3
139.03888	2.2
141.07011	0.6
143.70459	0.5
145.10149	0.9
147.04404	57.4
152.01036	40.7
153.01813	5.2
157.06427	0.7
157.10167	0.7
159.11694	0.9
167.03395	100.0
168.03746	1.5
170.02101	30.5
171.11702	0.7
178.02574	1.1
181.06497	1.2
185.13194	0.7
198.06778	0.6
209.05937	1.3
213.05344	0.8
226.06192	1.1
227.07069	1.6
237.05345	0.6
241.08646	1.8
251.07007	1.3
251.51645	0.6
255.06541	2.0
269.08173	2.9
272.06793	1.8
287.05539	19.7
287.09125	73.4
287.20007	1.6
288.06180	0.7
288.09470	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36868	0.7
53.03940	1.8
55.05506	1.4
59.01730	0.7
62.56343	0.7
65.03925	1.3
67.05504	9.5
68.05018	3.6
69.07068	18.3
70.06578	1.2
70.74749	0.7
70.99763	1.8
72.08141	1.7
79.05473	2.5
80.05014	3.2
84.08134	1.7
91.05436	1.0
93.05776	2.3
93.07038	1.8
94.06566	46.8
95.04960	6.3
96.04485	1.5
97.02886	1.3
97.06512	1.8
98.06032	0.8
98.98428	1.2
101.28030	0.7
106.06575	0.8
110.06004	1.8
112.03994	0.7
112.07610	6.3
118.06581	1.3
119.07306	1.0
120.08128	5.7
122.06025	80.2
123.04417	5.6
140.07059	95.0
141.07410	0.9
144.08080	2.1
146.05977	1.4
147.06856	1.2
148.07567	100.0
149.07939	1.3
153.06828	0.9
185.07118	0.9
242.11774	1.5
243.14825	0.9
269.12814	1.2
270.07379	1.1
270.11118	2.0
287.05490	11.7
287.10364	1.7
287.13919	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	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.87633	0.1
52.34744	0.1
53.03941	0.3
55.01860	0.3
55.05494	0.2
56.05013	0.1
56.96537	0.2
63.00021	0.2
65.03937	0.6
67.01855	0.4
68.99504	0.1
68.99786	3.3
69.03402	0.3
69.07052	0.2
70.06580	0.5
71.01340	0.2
71.04498	0.4
71.04969	0.1
72.08147	1.3
74.06062	0.2
79.05484	0.9
81.03415	0.4
81.07045	0.1
83.06094	0.2
84.04498	0.3
84.08141	1.2
85.02905	0.2
86.09708	1.3
87.09964	0.1
91.05507	0.3
94.06540	0.2
94.37714	0.1
95.04964	0.7
97.02886	0.3
98.98447	0.2
103.05474	0.4
105.03391	1.2
105.06975	0.2
107.04950	1.7
109.02897	1.0
110.07144	0.2
111.00810	1.9
111.04440	0.7
115.05460	0.5
116.07074	0.1
117.06984	0.3
117.78690	0.1
118.69920	0.1
119.04955	0.3
121.02861	9.4
121.03900	0.4
121.06492	0.2
123.04398	0.3
127.03925	0.6
128.06195	0.2
129.06993	0.5
129.10226	0.5
131.04948	0.2
133.02821	1.1
133.06450	0.2
135.04390	0.4
135.07982	0.1
137.02336	3.5
137.03328	0.1
139.05414	0.2
141.06935	0.4
143.04906	0.1
145.02803	0.2
145.06464	0.8
147.04398	1.9
149.02344	0.5
151.03883	0.2
153.01820	12.2
157.06476	1.8
160.05171	0.1
161.02280	0.2
161.05922	0.6
163.03964	0.2
165.01819	4.1
166.02524	0.1
167.04863	0.2
169.06505	0.2
171.02975	0.3
171.04433	0.8
173.05992	0.2
175.03874	0.4
175.07561	0.3
183.02892	1.8
183.04352	0.2
185.05968	1.7
189.05431	0.4
195.04477	0.1
197.05960	0.3
199.03918	0.2
201.05479	0.3
203.03410	0.3
203.07027	0.3
213.05455	4.0
216.04338	0.2
217.04916	0.3
222.18164	0.1
227.07138	0.1
227.54362	0.1
229.04953	0.6
231.06522	1.8
233.29303	0.1
241.04893	2.3
242.05650	0.2
243.06418	0.2
244.11923	0.2
245.04422	0.2
258.05234	2.6
259.06039	1.6
269.04404	0.6
269.12775	0.1
286.67062	0.2
287.05475	100.0
288.05792	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	287.0548
Annotation	Fisetin
Peak:m/z	Relative Intensity
55.01846	0.2
65.03952	0.3
67.01872	0.4
68.99786	2.0
69.67284	1.4
69.67691	0.6
79.05495	0.7
79.17994	0.2
81.03400	0.5
90.56519	0.3
95.04970	0.5
99.61459	0.2
105.03378	0.8
107.04945	0.9
109.02861	0.7
111.00821	1.6
111.04431	0.7
119.88471	0.3
121.02863	6.9
121.03883	0.5
133.02831	0.6
135.04408	0.3
137.02336	1.9
141.06984	0.4
142.17026	0.2
145.06493	0.5
147.04402	1.5
153.01826	11.2
157.06456	1.4
159.04240	0.3
161.05934	0.5
165.01831	3.6
171.04408	1.0
175.03923	0.3
183.02907	2.2
185.05853	1.2
189.05371	0.5
197.06001	0.3
203.03377	0.3
213.05460	3.3
229.05000	0.4
231.06528	1.1
241.04922	1.6
258.05246	2.5
259.06030	0.8
269.04498	0.6
269.27481	0.3
287.05490	100.0
288.05829	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01868	0.2
57.10925	0.2
65.03928	0.6
67.01862	0.3
68.99438	0.2
68.99788	3.5
69.03423	0.3
69.27468	1.4
69.27877	0.6
73.34925	0.2
79.05475	1.0
81.03410	0.5
91.05470	0.2
95.04944	0.5
97.02879	0.3
98.21621	0.3
103.05462	0.2
105.03396	1.5
106.77752	0.2
107.04939	1.8
109.02898	0.9
111.00794	2.0
111.04440	0.8
115.05492	0.4
117.07005	0.3
118.99261	0.2
119.04962	0.3
121.02865	9.4
123.04440	0.2
127.03910	0.4
128.06186	0.3
129.07010	0.7
133.02875	1.3
135.04408	0.4
137.02322	3.0
141.06950	0.4
145.06496	0.9
147.04398	2.6
151.03920	0.2
153.01825	14.2
157.06491	2.3
161.05943	0.7
165.01836	4.7
168.19420	0.2
171.02986	0.3
171.04396	1.1
175.03888	0.2
183.02872	2.3
185.05980	1.8
189.05510	0.2
197.05986	0.4
203.03255	0.3
203.07001	0.3
209.05919	0.2
213.05470	3.5
227.07126	0.3
229.04935	0.7
231.06516	1.4
241.04924	2.3
242.05606	0.2
243.06427	0.2
245.04376	0.2
255.06633	0.3
258.05231	2.8
259.05920	0.8
269.04486	0.4
287.05484	100.0
288.05832	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01857	0.3
59.21815	0.2
65.03932	0.7
67.01868	0.6
67.05481	0.4
68.99789	3.1
69.45854	0.6
69.46255	1.9
79.05483	0.7
81.07063	0.6
91.05459	0.3
93.07050	0.5
95.04946	0.4
95.08583	0.3
104.52370	0.3
105.03381	0.9
105.06999	0.3
107.04935	1.6
109.02857	1.0
111.00803	1.9
111.04433	0.7
115.05460	0.3
115.82290	0.2
117.07059	0.5
119.04939	0.3
119.08555	0.3
121.02865	7.9
121.10130	0.4
129.07008	0.8
133.02803	1.0
133.10106	0.4
135.04407	0.3
135.11516	0.3
137.02330	2.7
141.06995	0.3
145.06511	0.6
147.04413	2.2
153.00554	0.6
153.01819	11.4
157.06465	1.7
161.05989	0.4
165.01842	4.0
171.04367	0.7
175.03964	0.4
183.02876	1.3
185.05949	1.1
189.05534	0.4
189.20901	0.3
197.05911	0.3
207.94495	0.3
213.05437	3.6
229.04971	0.6
231.06439	1.3
241.04877	1.5
258.05173	2.8
259.05994	1.2
266.44681	0.3
269.04599	0.4
287.05487	100.0
288.05862	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
56.35748	0.1
67.01862	2.0
67.05493	0.3
68.99786	1.9
69.03435	0.1
69.07030	0.2
69.80573	0.2
69.80984	0.7
71.08023	0.1
79.05486	0.5
81.03414	0.2
81.07052	0.5
82.27792	0.1
89.03924	0.8
91.05467	0.5
93.07037	0.3
95.04916	0.2
95.08589	0.3
97.02924	0.1
105.07011	0.4
107.01305	0.1
107.04934	0.5
107.08582	0.4
109.02847	0.2
111.00789	0.4
111.04414	0.2
111.07993	0.2
115.05398	0.2
117.03392	0.9
117.06999	0.1
119.04931	0.9
119.08591	0.3
121.02870	0.7
121.10142	0.3
123.04434	0.1
123.11693	0.2
124.01598	0.2
125.02316	0.2
127.03877	0.2
128.06224	0.2
129.01820	0.4
129.06984	0.2
131.08522	0.2
133.10204	0.1
135.04404	4.5
137.02339	1.5
139.05452	0.2
145.06514	0.3
145.10051	0.3
147.04399	2.1
147.11693	0.3
152.01015	1.4
153.01819	12.2
157.06502	0.3
159.11673	0.2
161.02330	1.3
165.01840	0.4
167.03387	2.9
167.04745	0.3
169.77132	0.1
170.02133	0.9
171.02911	1.6
171.04326	0.2
173.05902	0.1
179.03391	0.6
183.02907	0.3
185.05998	0.4
199.03922	0.2
203.03375	0.3
213.05501	0.9
217.15897	0.1
218.05908	0.1
219.06549	0.2
229.04974	0.1
231.06458	0.3
241.04930	1.4
245.04449	0.4
258.05231	0.2
259.05933	0.3
263.05655	0.1
265.60678	0.2
269.04425	0.6
269.07523	0.1
287.05484	100.0
287.23727	0.5
288.05795	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	287.0547
Annotation	Kaempferol
Peak:m/z	Relative Intensity
50.49635	0.2
53.03923	0.2
57.30206	0.2
65.03931	0.3
67.01840	0.2
68.99789	2.2
69.38742	1.8
76.90062	0.2
79.05479	0.5
95.04935	0.6
105.03381	1.0
107.04955	1.1
109.02843	0.5
111.00789	1.4
111.04434	0.3
113.94971	0.2
115.05495	0.2
121.02856	5.3
127.03911	0.3
128.06255	0.3
133.02837	0.9
135.04468	0.3
136.32568	0.2
137.02344	1.4
140.72354	0.2
141.06975	0.2
145.06519	0.5
145.13986	0.2
147.04375	1.4
153.01825	9.4
157.06461	1.3
161.05963	0.3
165.01846	3.4
171.04332	0.4
183.02895	1.5
185.05936	1.3
189.05449	0.3
190.25943	0.2
203.03563	0.2
213.05475	2.9
229.04959	0.4
231.06494	1.1
241.04950	2.0
258.05231	2.1
259.05957	0.7
264.48657	0.2
269.04453	0.4
287.05487	100.0
288.05826	2.3
295.37643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34256	0.2
53.91613	0.2
56.66527	0.3
62.07774	0.2
65.03929	0.5
67.01854	0.6
68.99783	3.2
70.93390	0.5
73.43093	0.2
79.05483	0.7
81.03410	0.3
95.04969	0.3
104.00642	0.2
105.03371	0.8
107.04945	1.4
109.02866	0.8
111.00797	1.8
111.04427	0.8
115.05435	0.4
121.02857	7.9
126.25605	0.2
127.03905	0.4
128.06198	0.3
129.07013	0.4
133.02855	1.0
135.04420	0.4
137.02318	3.1
141.07016	0.5
145.06453	0.8
147.04420	1.6
153.01819	12.7
157.06477	1.6
161.05994	0.6
165.01830	4.1
171.03047	0.3
171.04443	0.9
175.03917	0.3
183.02875	1.8
185.05936	1.4
189.05406	0.3
197.06003	0.3
199.03920	0.3
203.07079	0.5
213.05412	3.0
229.04965	0.5
231.06558	1.5
241.05013	2.2
258.05234	2.4
259.05936	1.3
269.04437	0.6
287.05484	100.0
288.05762	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	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.6
67.01860	0.5
68.02043	0.3
68.99788	3.3
69.03418	0.3
79.05489	1.1
81.03413	0.3
91.05468	0.4
95.04980	0.5
103.05424	0.3
105.03400	1.4
107.04963	1.5
109.02869	0.9
111.00793	1.9
111.04431	0.6
111.48641	0.2
115.05457	0.4
119.04874	0.4
121.01999	0.6
121.02864	8.8
121.03890	0.4
129.06999	0.7
133.02847	1.5
135.04391	0.5
137.02341	2.6
145.06483	0.7
147.04416	1.6
153.01828	14.4
157.06502	1.8
161.06010	0.4
165.01837	4.1
169.06497	0.3
171.04445	0.8
175.03876	0.6
179.03433	0.3
183.02928	2.3
185.05959	1.6
189.05435	0.3
194.01999	0.3
197.06056	0.4
201.05391	0.3
203.06958	0.3
213.05487	3.8
229.04941	0.7
231.06544	1.9
241.04910	1.6
258.05267	2.6
259.05917	0.8
287.05496	100.0
288.05853	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11059	0.1
53.03927	0.2
55.01847	0.2
65.03931	0.5
67.01849	0.4
68.99785	2.4
69.03453	0.2
69.61297	0.3
69.61726	1.0
79.05490	0.8
81.03429	0.4
81.75984	0.2
92.12913	0.2
95.04947	0.4
101.52722	0.1
105.03408	1.1
107.04972	1.4
108.95085	0.2
109.02872	0.9
111.00803	1.5
111.04442	0.6
114.72342	0.2
115.05446	0.4
118.86968	0.2
121.02863	6.8
127.03867	0.3
128.06232	0.3
129.06969	0.3
133.02856	0.9
135.04407	0.3
137.02333	2.7
141.07002	0.3
145.06482	0.6
147.04391	1.4
147.19574	0.2
153.01823	11.6
157.06474	1.6
158.46587	0.2
161.05975	0.5
165.01839	3.5
166.42682	0.2
169.06473	0.3
171.04417	0.8
175.03920	0.3
175.07628	0.2
181.46590	0.2
183.02881	2.1
185.05983	1.2
189.05537	0.3
194.02132	0.2
197.05933	0.4
199.03883	0.2
201.05453	0.2
203.07024	0.3
209.24971	0.2
213.05475	3.3
216.04189	0.3
217.05005	0.2
229.04950	0.4
231.06487	1.3
241.04884	1.7
243.06689	0.2
257.04584	0.2
258.05203	2.3
259.05997	1.2
263.05563	0.3
269.04434	0.6
287.05487	100.0
288.05807	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	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64502	0.1
58.87659	0.1
65.03933	0.5
66.01080	0.2
67.01858	0.4
68.21188	0.2
68.99787	3.1
69.03419	0.4
70.38235	0.7
72.39870	0.2
79.05489	0.8
81.03399	0.4
83.23449	0.2
91.05427	0.2
95.04951	0.6
97.02898	0.2
98.21030	0.3
103.05434	0.4
105.03383	1.4
107.04943	1.4
109.02876	0.9
111.00811	2.0
111.04424	0.7
111.93951	0.2
115.05392	0.2
119.04974	0.3
121.02865	8.5
121.03857	0.4
127.03879	0.5
128.06174	0.3
129.07007	0.6
133.02808	1.1
135.04419	0.5
137.02330	2.4
141.06978	0.3
145.06480	0.7
147.04404	1.7
151.03880	0.2
153.01822	14.1
154.02156	0.3
155.06041	0.2
157.06502	1.5
161.05930	0.5
165.01830	3.9
171.04388	0.7
175.03807	0.2
183.02904	1.7
185.05937	1.3
189.05412	0.4
191.76653	0.2
197.05959	0.5
201.05426	0.2
203.07076	0.4
207.56279	0.2
212.04639	0.2
213.05457	3.7
216.04231	0.3
229.05031	0.5
231.06537	1.4
241.04948	1.7
243.06494	0.3
257.04407	0.2
258.05246	2.9
259.05984	1.1
269.04431	0.6
270.05505	0.2
286.04492	0.2
287.05487	100.0
288.05832	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
55.01862	0.4
65.03932	0.3
67.01854	0.5
67.05480	0.1
68.99435	0.2
68.99790	3.0
69.03411	0.4
69.27549	0.6
69.27985	0.7
71.01340	0.2
73.12555	0.1
79.05499	0.7
81.03399	0.4
91.05483	0.3
95.04948	0.5
97.06512	0.4
103.05466	0.3
105.03400	1.3
107.04955	1.4
109.02849	0.7
111.00807	1.9
111.04433	0.5
115.05446	0.3
117.07005	0.3
119.04914	0.2
120.06089	0.1
121.02869	7.5
127.03902	0.3
128.06181	0.2
129.06981	0.5
131.04933	0.2
133.02858	1.1
135.04411	0.5
137.02338	2.4
139.05432	0.2
141.07018	0.3
143.04933	0.1
145.06464	0.6
147.04416	1.9
151.03905	0.2
153.01828	13.0
154.02168	0.2
157.06499	1.5
161.05978	0.5
165.01840	4.5
171.02982	0.2
171.04387	1.1
175.03951	0.2
175.07570	0.2
183.02896	1.9
184.05208	0.2
185.05994	1.4
189.05486	0.4
194.02077	0.2
197.06010	0.3
199.03906	0.1
203.06972	0.4
213.05469	3.9
216.04204	0.2
217.04939	0.1
220.16681	0.1
229.04939	0.5
230.05615	0.1
231.06517	1.8
241.04942	2.1
243.06386	0.2
245.04390	0.1
257.04443	0.2
258.05252	2.7
259.05994	1.0
269.04349	0.4
287.05490	100.0
288.05826	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	286.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.05027	1.1
57.03429	1.0
59.04996	2.4
61.02928	5.4
68.05042	1.2
70.06596	8.3
70.32450	0.5
71.04990	5.6
71.14546	0.6
71.14889	1.2
72.08154	0.7
79.05501	1.6
80.05009	0.8
81.04543	1.2
81.07052	11.4
82.05325	1.9
83.06104	11.9
84.08135	0.7
87.08106	0.9
93.04533	7.1
95.06088	14.6
99.08035	1.1
99.56493	0.6
107.06089	2.3
110.07163	100.0
111.05567	2.4
111.07498	1.5
112.07606	6.5
112.08707	3.2
113.09642	0.9
119.06071	0.8
121.07617	2.0
124.03943	3.6
140.07059	2.4
156.07687	12.9
163.12300	49.6
164.12735	1.2
166.06111	2.0
180.12648	0.8
185.09225	0.8
186.94855	0.6
190.13390	7.6
193.13326	1.0
206.50909	0.6
208.14433	11.5
209.12788	0.9
210.16035	1.2
212.15152	1.1
219.11337	1.7
236.13933	5.4
240.17068	8.7
241.15434	1.0
242.18631	0.7
254.15005	17.6
255.15149	0.7
286.17606	44.0
287.17944	1.1
292.00845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03939	0.3
53.71774	0.1
55.01874	0.2
65.03922	0.3
67.01858	0.6
68.99790	2.8
69.03430	0.3
69.27554	1.6
69.27876	0.2
71.01336	0.2
75.69689	0.2
79.05489	0.7
81.03416	0.3
95.04973	0.6
97.02914	0.2
98.21542	0.3
103.05472	0.3
105.03409	1.0
107.04954	1.5
109.02891	1.0
111.00810	1.9
111.04416	0.7
113.91206	0.2
115.05469	0.2
117.06989	0.2
119.04977	0.3
121.02869	7.8
121.06493	0.2
122.03175	0.2
122.80659	0.1
127.03889	0.3
128.06213	0.2
129.07010	0.5
133.02875	1.1
135.04398	0.5
137.02339	2.6
139.05379	0.2
141.06999	0.3
145.06494	0.6
147.04405	1.7
151.03970	0.2
153.01828	12.8
157.06488	1.8
161.05966	0.4
165.01836	4.3
169.06494	0.2
171.03020	0.2
171.04349	0.7
175.03908	0.3
175.07410	0.2
183.02888	1.9
185.06001	1.4
189.05490	0.4
197.05974	0.3
203.03278	0.2
203.07040	0.2
213.05469	4.1
214.05882	0.2
215.16974	0.1
216.04193	0.2
229.04906	0.8
231.06551	1.2
241.04912	1.9
242.05579	0.2
243.06548	0.2
258.05243	2.6
259.06009	1.1
269.04416	0.6
287.05490	100.0
288.05817	3.0
288.33420	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	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05508	9.5
56.96553	2.4
57.03438	3.8
57.07085	2.7
61.93143	1.2
65.03924	1.5
67.05505	16.4
69.07073	12.7
71.04990	2.8
71.32046	2.8
74.56191	1.3
79.05499	7.8
81.03417	4.5
81.07050	23.9
83.04976	2.7
83.08623	4.1
85.02896	3.7
91.05474	26.5
93.07037	14.1
95.04955	4.0
95.08603	18.0
97.06535	2.0
97.10147	1.7
98.98476	2.6
105.07030	41.4
107.08602	11.2
107.89418	1.3
109.10162	28.0
117.06999	5.5
119.08560	18.2
121.06503	1.7
121.10159	8.9
123.08024	3.6
123.11719	15.6
128.06213	2.0
129.07037	9.3
130.07800	2.2
131.08563	15.9
133.10129	100.0
135.11655	6.6
141.07007	3.6
142.07780	1.7
143.08543	8.5
145.10110	8.2
147.08011	8.7
147.11671	10.0
149.13293	2.8
153.12747	1.4
155.08525	6.7
157.10124	9.0
159.11696	20.4
161.09625	5.0
161.13248	3.0
163.14883	3.4
165.12747	2.8
169.10114	5.1
171.11650	9.3
173.13310	3.0
175.11182	2.5
175.14813	8.4
182.10855	2.0
183.11684	6.2
185.13287	5.5
186.99072	1.5
187.14825	4.4
193.12224	4.1
197.13272	12.9
199.14816	1.8
201.16357	1.9
211.13135	2.8
211.14854	5.7
222.96964	1.6
225.16284	1.9
237.16405	2.1
239.17952	1.9
252.18716	2.7
257.22641	1.6
267.21072	42.7
285.17224	2.5
285.22083	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69675	1.9
53.03943	6.3
55.01861	4.1
55.05509	29.4
57.03439	40.6
57.07058	2.7
58.24261	1.8
60.62420	1.8
63.00035	2.4
67.05506	33.7
69.03429	8.1
69.07070	13.6
71.04988	9.5
71.77444	2.3
75.86156	2.0
77.90086	1.7
79.05492	31.2
81.03418	100.0
81.07051	49.1
83.04984	19.4
83.08619	33.4
85.02907	64.1
85.06534	2.3
91.05481	42.3
91.10126	2.0
93.07039	27.5
95.04962	35.4
95.08605	20.6
97.02892	10.6
97.06544	5.3
97.10163	2.9
98.98489	4.1
99.04434	2.8
99.08110	2.7
103.96655	1.9
105.07031	41.9
107.04958	8.1
107.08588	17.5
109.06499	8.2
109.10148	10.5
111.04463	3.5
111.08075	13.7
113.06020	4.8
117.07026	3.2
118.05676	2.0
119.08587	28.0
121.06532	4.2
121.10121	17.7
121.97479	2.0
123.08083	6.1
123.11741	10.6
125.09647	3.5
129.07019	17.2
131.08582	19.0
133.06483	4.5
133.10130	15.8
135.11707	2.8
137.09579	2.8
142.07790	5.1
143.08528	3.6
145.10106	7.8
147.08015	5.8
147.11681	31.1
149.09625	7.8
157.10117	21.2
161.13249	2.6
165.12746	7.6
171.11652	2.7
175.11176	25.3
175.14896	2.6
185.13316	3.3
193.12245	85.6
197.13286	2.5
211.13274	47.9
239.17982	2.7
267.15933	3.6
267.20999	5.3
285.16803	27.6
285.21753	13.9
285.29987	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05311	1.4
55.05505	13.5
56.05024	3.8
57.02730	1.6
57.03418	6.4
57.07058	4.9
63.00029	2.1
65.01122	1.5
67.05505	27.4
69.03407	6.8
69.07067	26.2
71.04971	3.0
71.41766	1.6
71.58930	2.6
72.20926	1.8
79.05488	20.4
81.03420	8.3
81.07047	48.9
83.04967	5.2
83.08598	10.3
85.02880	2.9
91.05476	39.6
93.07043	24.0
95.04952	6.7
95.08601	41.8
97.06519	5.3
97.10189	3.4
98.98454	2.7
99.83826	1.7
105.06394	2.9
105.07028	38.7
107.04937	4.8
107.08598	19.0
109.06487	5.6
109.10156	55.0
111.04375	1.8
111.08069	4.4
115.05426	3.4
117.07005	9.7
119.08577	43.6
121.10132	15.0
123.08034	5.7
123.11708	32.0
124.99949	2.1
125.13268	3.3
128.06209	8.6
129.07002	66.0
131.08562	24.1
133.10124	30.7
135.11674	5.4
137.09608	2.1
137.13229	13.9
138.04149	2.0
140.03072	1.7
141.06961	3.6
142.07738	2.1
143.08557	21.3
145.10114	10.8
147.08028	18.3
147.11682	21.4
149.09637	2.8
149.13205	5.9
154.07722	2.0
155.08549	10.0
157.10126	12.0
159.11676	8.0
161.09590	7.7
161.13235	4.5
165.12740	9.5
167.14229	1.9
169.10100	10.8
171.11703	13.4
173.09590	3.4
173.13213	4.3
175.11189	2.2
175.14777	25.3
183.11699	12.1
185.13237	10.9
187.14799	6.3
193.12183	6.3
193.15869	88.9
194.16104	1.9
197.13248	13.4
210.06763	2.0
211.14906	9.0
215.14185	2.3
224.15692	2.0
225.09119	2.2
225.16316	3.9
239.17958	3.5
243.17383	1.9
253.08643	3.4
257.22705	2.7
267.21097	36.8
285.07697	2.8
285.18680	8.2
285.22076	100.0
286.22458	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18019	2.3
53.03936	5.5
55.01872	8.0
55.05513	35.0
57.03183	4.4
57.03436	44.9
57.07064	3.9
58.82091	2.3
63.00051	3.4
65.39522	2.4
65.61213	2.8
67.05505	48.6
69.03426	6.3
69.07066	24.2
69.95046	15.0
70.06568	2.4
71.04993	14.3
79.05496	37.0
81.03419	100.0
81.06580	5.8
81.07054	94.9
83.04974	18.0
83.08131	3.9
83.08611	34.4
85.02905	65.6
85.06547	7.5
91.05479	55.3
93.07040	34.0
95.04965	40.7
95.08610	27.8
97.06544	6.2
97.10146	3.1
99.08132	3.7
105.07030	52.4
107.04951	5.8
107.08597	21.9
109.06517	9.6
109.10165	12.6
111.04435	4.6
111.08070	17.4
113.06022	6.7
115.05444	3.4
117.07011	4.7
119.08574	49.1
121.06424	3.2
121.10148	37.1
123.08079	8.2
123.11698	16.5
127.07504	3.3
128.06267	4.0
129.06992	14.6
131.08557	21.8
133.06512	3.4
133.10118	17.1
135.08035	4.7
137.09512	2.8
142.07784	4.8
143.08545	9.2
145.10138	11.4
147.08072	6.0
147.11674	55.4
149.09619	9.6
155.08533	4.2
156.09282	3.0
157.10146	26.7
159.11723	4.8
161.09555	3.8
165.12764	20.0
169.10144	3.5
171.11679	6.2
173.09683	3.9
173.13287	7.7
175.11198	21.1
176.63039	2.5
177.37358	2.6
182.10941	3.3
183.11720	6.0
185.13289	3.1
187.14958	3.2
193.12241	72.4
197.11533	3.0
197.13229	4.7
199.14867	5.7
203.87271	2.3
207.25714	2.4
211.13261	47.3
225.16400	5.5
229.12317	3.0
229.14381	3.6
239.17854	3.2
241.16002	2.7
257.19064	4.8
262.89441	2.5
267.15753	4.0
285.17078	38.8
285.29800	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
55.01860	2.3
55.05512	18.4
57.03432	24.2
57.07069	1.7
59.04968	1.3
61.27680	1.4
63.00020	1.7
65.03928	1.9
67.05500	38.4
69.03407	1.9
69.06723	2.0
69.07066	20.5
71.04978	7.9
71.18266	3.5
73.92542	1.4
77.32043	1.2
79.05010	1.2
79.05486	25.4
81.03417	6.5
81.07051	100.0
83.04984	11.1
83.08610	10.4
85.02910	1.4
85.06523	5.3
86.37352	1.4
87.13691	1.3
91.05474	30.1
93.07038	19.4
95.04980	7.6
95.08601	27.0
97.02905	1.6
97.06520	6.8
98.98448	1.7
99.08054	4.0
101.06014	2.6
105.07022	44.1
107.04948	1.5
107.08579	14.7
109.06499	8.4
109.10135	3.9
111.04482	1.6
111.08053	3.8
113.05981	1.7
117.06980	1.6
119.08578	32.7
121.06509	1.4
121.10142	18.4
123.08048	4.0
123.11700	27.1
124.01572	1.4
127.07554	2.6
128.06151	1.5
129.06970	6.6
131.08546	5.3
133.10127	4.4
137.13258	2.6
141.09106	1.5
143.08493	1.9
145.10085	4.0
147.11679	75.4
149.09538	2.2
155.08569	2.4
157.10088	6.4
159.11684	1.7
161.05881	1.5
165.06898	1.8
165.12744	33.2
167.03409	3.0
169.10083	2.1
171.11664	2.5
175.11168	4.4
183.13817	2.7
185.13235	2.7
185.48427	1.3
193.12296	5.5
197.06067	1.6
211.13181	2.8
225.09129	1.8
226.20799	1.3
229.14305	4.7
237.34267	1.2
242.05708	13.2
253.08629	3.1
266.86060	1.4
267.15991	3.8
270.05267	7.3
285.07553	55.1
285.10748	2.3
285.16772	26.1
285.21933	2.2
286.07709	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61551	0.9
51.34233	0.8
53.03938	2.8
55.01884	2.1
55.05512	20.5
55.80797	0.8
57.03151	1.1
57.03439	22.6
57.07067	1.7
59.04994	1.1
65.03929	2.7
67.05505	38.5
69.03430	1.7
69.07069	20.6
69.25648	5.3
69.26084	4.4
70.88440	0.9
71.04993	7.3
72.08157	1.1
73.06568	1.2
77.03931	1.1
79.05492	24.4
81.03414	6.4
81.07056	100.0
83.04983	7.0
83.08614	11.1
85.02901	2.9
85.06530	7.1
87.04416	1.0
91.05481	38.5
93.07045	16.7
93.47043	0.8
95.04977	10.5
95.08607	22.0
97.06538	10.3
97.10133	1.4
97.97046	0.8
99.08100	5.2
101.06016	1.4
103.05453	0.9
105.07033	44.6
107.04918	2.1
107.08599	14.5
109.06503	7.8
109.10134	3.4
111.00841	0.9
111.04427	1.1
111.08056	3.3
113.06020	2.0
115.05444	1.1
117.07025	2.7
119.08580	36.7
121.09318	1.7
121.10150	24.2
123.08082	6.4
123.10815	1.7
123.11705	30.8
127.07550	3.0
129.07013	5.8
131.08582	6.0
133.10126	7.4
135.08034	1.1
137.09616	2.2
137.13251	2.8
139.11115	1.0
141.09132	0.9
142.07768	2.0
143.08617	1.5
145.10144	2.8
146.03645	1.1
147.11690	79.3
148.12044	1.0
149.09602	1.9
151.11194	1.5
157.10130	9.9
159.11699	2.9
161.05952	3.2
165.06992	4.0
165.12755	30.6
169.10095	1.7
171.11670	2.0
171.56488	1.2
173.05974	1.6
175.11166	8.6
175.34984	0.8
183.11687	1.6
183.13794	2.7
185.13333	1.2
187.14880	1.0
193.06468	3.5
193.12274	7.7
197.13297	1.2
199.14810	1.3
210.06778	2.4
211.14952	1.3
213.16409	0.9
221.05969	3.9
225.09119	5.9
225.16267	1.2
229.14336	14.0
238.06105	1.2
242.05675	1.1
243.11330	0.9
253.08575	12.0
257.04477	4.9
267.15945	1.7
267.21124	1.1
270.05182	1.4
285.03955	3.7
285.07608	2.3
285.11475	5.9
285.16913	23.3
285.21762	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25780	2.4
53.03946	2.9
55.01871	4.7
55.05508	25.1
55.88708	2.4
57.03438	25.7
61.42784	2.8
65.03928	4.6
67.05505	44.2
69.07071	20.6
70.60537	9.0
71.04987	5.8
79.05491	32.8
81.02927	3.2
81.03416	67.7
81.07054	100.0
81.07529	5.4
83.04964	11.8
83.08617	22.0
85.02899	14.1
85.06541	8.7
89.94127	2.5
91.05472	36.7
93.07037	21.8
95.04956	23.7
95.08601	18.4
97.06528	7.4
98.21170	4.1
99.08080	5.5
105.07026	41.4
107.04963	3.6
107.08609	14.7
109.06554	5.8
109.10169	4.1
111.08089	8.8
113.05998	3.7
119.08591	37.9
121.10153	23.1
123.08039	5.6
123.11696	23.5
129.07024	7.1
131.08571	7.9
133.10213	5.3
137.09616	2.9
147.11687	70.5
149.09529	3.2
157.10104	9.1
161.06093	2.8
165.06992	3.1
165.12767	34.3
168.08122	4.3
175.11151	11.3
193.12253	36.2
211.13202	14.2
212.14424	2.6
221.05923	3.8
229.14420	2.7
253.08646	7.8
267.16049	3.2
275.03354	2.2
285.16928	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01860	2.1
55.05510	17.9
57.03435	22.5
57.07080	0.9
59.04978	0.7
65.03930	1.3
67.05503	36.1
69.03428	1.0
69.07064	20.1
69.94609	2.4
69.95023	1.2
71.04993	5.9
79.05490	21.6
81.07053	100.0
83.04984	7.5
83.08617	8.6
85.06537	5.0
87.04457	1.0
91.05478	26.8
93.07041	13.1
95.04968	2.6
95.08599	19.9
97.06527	8.0
97.10162	0.8
99.08098	4.7
100.15586	0.6
101.06001	1.8
105.07027	38.0
107.08594	10.7
109.06512	5.3
109.10162	1.5
111.08055	1.0
113.05997	1.1
115.07578	1.2
117.06974	0.8
119.08582	30.1
120.13071	0.6
121.10142	20.5
123.08062	4.0
123.11703	30.8
127.07555	2.9
129.06987	2.4
131.08566	1.1
133.10115	3.2
137.13245	2.7
141.09085	1.1
145.10120	1.4
147.11681	68.6
148.12021	1.3
157.10150	3.5
165.12749	30.4
175.11174	2.4
183.13800	2.7
193.12222	1.9
224.87651	0.7
229.14278	4.0
242.05717	1.6
267.15836	2.1
270.05334	0.7
285.07635	3.6
285.16937	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01861	6.1
55.05510	25.4
57.03434	34.0
57.39977	2.2
64.52584	2.2
67.05502	37.4
68.50723	1.9
69.03428	8.8
69.07067	12.1
69.56532	18.7
70.93767	2.0
71.04992	10.8
79.05495	34.7
81.03414	100.0
81.07053	51.3
83.04973	21.1
83.08617	32.9
85.02906	62.2
85.06509	1.9
91.05479	42.5
93.07043	21.6
95.04972	49.4
95.08598	17.6
97.02875	3.7
97.06532	5.6
97.10159	5.1
97.77272	2.0
98.21529	2.0
105.07030	36.2
107.04948	5.3
107.08571	11.8
109.06505	10.0
109.10136	5.9
111.04399	3.1
111.08091	18.5
113.05988	6.0
115.05507	2.3
117.07034	2.5
119.08572	28.9
121.06413	3.2
121.10122	15.4
123.08057	2.2
123.11737	4.4
125.09653	2.9
128.06161	2.5
129.07001	16.3
131.08580	11.3
133.06454	5.2
133.10132	12.3
142.07751	4.2
143.08568	2.5
145.10091	5.7
147.08099	4.1
147.11702	28.1
149.09615	8.1
151.11163	2.5
157.10107	18.4
159.11705	2.8
165.12761	6.4
169.10201	2.7
175.11191	24.5
182.07307	2.3
183.11671	2.2
185.13481	2.6
193.12231	84.6
211.13284	54.1
225.09056	3.8
239.17978	3.1
253.08601	2.8
267.15897	6.2
285.11734	2.7
285.16852	33.1
285.22223	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01860	2.6
55.05510	16.9
57.03439	20.7
57.07056	1.1
63.77885	0.9
65.03928	1.3
67.05502	34.1
69.03414	1.2
69.07065	17.5
69.77869	5.8
71.04999	8.5
79.05492	22.5
81.03430	1.9
81.07053	100.0
83.04990	8.1
83.08617	8.7
85.02906	1.5
85.06538	6.0
91.05479	28.3
93.07041	9.1
95.04959	4.4
95.08605	20.9
96.88071	0.9
97.06518	8.3
99.08084	4.1
101.06023	2.3
105.07028	39.7
107.08583	15.5
109.06524	6.2
109.10159	2.3
111.08073	1.2
119.08580	27.9
121.10137	19.7
123.08048	4.2
123.11704	30.6
127.07587	2.7
128.42871	1.2
129.07007	2.8
131.08521	1.8
133.10124	3.9
137.13234	1.8
145.10052	1.4
147.11682	72.9
148.12079	1.2
153.66418	0.9
157.10133	3.4
165.12747	32.4
175.11186	4.3
183.13737	2.9
193.12190	3.6
229.14371	5.0
229.89859	1.0
253.08615	1.3
267.15836	2.9
285.07724	1.4
285.16931	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01871	3.4
55.05508	19.6
57.03437	31.2
64.63899	2.1
67.05175	3.0
67.05499	35.7
69.03422	5.0
69.07060	16.5
70.71703	5.2
71.04993	5.3
75.42699	2.3
79.05482	31.3
81.03411	100.0
81.07052	81.2
83.04989	10.9
83.08614	32.7
85.02893	28.1
85.06531	6.0
88.59872	2.4
91.05478	38.3
93.07042	21.4
95.04958	32.0
95.08602	18.9
97.02882	3.4
97.06516	5.2
99.08110	2.7
105.07023	36.4
107.04922	6.0
107.08570	13.2
109.06524	5.6
109.10143	4.6
111.04469	4.7
111.08077	14.7
113.06004	4.5
119.08562	32.2
121.10144	17.0
123.08059	3.5
123.11678	15.2
129.06993	12.0
131.08542	9.6
132.43492	2.7
133.10112	6.7
137.09546	3.8
142.07724	4.0
147.11670	53.8
149.09598	6.1
157.10100	18.2
165.07111	5.1
165.12755	19.4
175.11169	17.5
177.36736	2.4
183.13905	2.6
193.06465	4.5
193.12245	51.4
194.30042	2.2
210.06638	2.5
211.13239	26.3
225.09036	3.1
229.14354	4.7
249.14610	2.3
253.08665	8.3
267.15994	8.5
270.05173	11.2
285.07574	11.4
285.11243	6.6
285.16873	29.9
285.21857	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
55.01857	6.3
55.05501	27.4
57.03438	44.7
59.04967	2.5
67.05504	36.1
67.36869	2.4
69.03412	4.6
69.07068	14.9
69.59238	18.9
71.04990	10.7
79.05490	33.2
81.03416	100.0
81.06580	3.7
81.07052	53.5
83.04983	16.5
83.08621	39.3
84.05363	2.6
85.02903	69.4
85.06516	3.0
90.26370	2.1
91.05476	37.8
93.07050	20.6
95.04968	41.1
95.08610	18.6
97.02877	6.8
97.03558	2.4
97.06507	7.6
97.10159	4.2
101.92816	2.1
105.07031	32.9
106.92327	2.1
107.04947	8.0
107.08599	9.9
109.06506	5.5
109.10156	4.8
111.04421	4.1
111.08086	20.8
113.06016	5.7
119.08591	32.6
120.00513	2.3
121.06498	2.3
121.10136	20.1
123.08080	4.0
123.11715	8.1
129.07007	17.2
131.08559	16.9
133.06522	5.6
133.10159	13.8
135.08028	2.5
135.11697	3.0
137.09579	3.8
142.07803	4.4
145.10124	6.7
147.08073	5.7
147.11670	27.3
149.09641	9.4
157.10104	24.7
159.11736	2.5
165.12785	4.3
175.11189	26.1
193.12238	89.7
211.13295	50.1
229.14377	4.5
240.23071	2.9
253.08714	4.5
267.15805	5.6
285.11124	3.2
285.16754	35.2
285.22092	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07716	0.7
53.03944	1.5
55.01871	8.8
55.05260	1.3
55.05507	15.4
57.03434	20.4
57.07081	2.1
64.65816	0.6
65.03947	1.2
67.05504	37.2
69.03458	0.9
69.07067	17.1
71.04993	4.7
71.33089	1.4
71.33438	1.1
73.06556	1.4
79.05489	19.7
81.03414	2.3
81.07055	100.0
82.07406	1.1
83.04980	7.6
83.08608	10.2
85.02927	0.9
85.06541	6.1
87.04460	0.7
91.05478	25.3
93.07040	14.5
95.04967	5.1
95.08606	27.6
97.06520	8.0
97.10144	1.4
99.08091	4.2
101.06004	1.6
105.07028	36.1
107.08595	13.7
109.06524	4.2
109.10140	1.5
111.08088	1.4
113.06020	1.6
114.97416	0.7
119.08576	25.3
121.09471	0.4
121.10138	19.7
123.08064	4.1
123.11704	31.1
127.07571	3.4
129.06963	2.1
131.08575	1.2
133.10117	1.4
137.13266	2.9
141.09077	1.0
142.07817	0.8
145.10136	1.5
147.11685	79.7
148.11998	0.9
149.09561	0.9
155.08617	0.8
157.10117	2.3
159.11716	0.8
164.32823	0.7
165.12753	38.8
183.13799	5.1
193.12231	1.9
211.13098	1.0
222.37656	0.6
225.09105	1.0
229.14362	5.6
267.15872	6.7
285.07684	1.4
285.16928	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01864	2.2
55.05510	16.4
57.03152	1.3
57.03434	20.8
57.07078	1.5
65.03941	1.5
67.05502	34.8
69.03422	1.2
69.07065	18.1
70.22585	1.5
70.22999	2.0
71.04982	7.4
71.35114	0.7
72.08160	1.0
79.05491	23.3
79.05963	1.1
81.03424	1.8
81.07053	100.0
82.07402	1.0
83.04977	8.1
83.08610	8.8
83.94890	0.8
85.02892	1.7
85.06541	6.4
85.47183	0.7
91.05476	27.9
91.48379	0.8
93.07038	14.0
95.04968	4.7
95.08603	21.0
97.06525	7.4
99.08057	4.2
99.53015	1.0
101.06029	1.9
105.07025	38.2
107.08585	14.0
109.06506	6.9
109.10142	2.9
109.49216	0.7
111.04517	0.8
111.08092	1.6
113.05997	1.4
117.07018	1.3
119.08578	29.5
120.30865	0.7
121.10135	21.7
123.08064	5.9
123.11698	30.5
125.09670	0.7
127.07556	3.5
129.06995	2.3
130.69525	0.7
131.08559	2.4
133.10104	3.8
137.09624	1.1
137.13254	2.8
141.09087	1.2
142.07727	1.4
143.08543	1.1
145.10126	2.8
146.45805	0.8
147.11678	76.3
148.12006	1.4
157.10101	4.7
159.11664	1.2
165.06970	1.5
165.12749	32.8
169.10092	1.2
171.54868	0.8
175.11125	4.2
183.11700	1.6
183.13760	2.8
193.06386	1.0
193.12173	3.2
211.13123	1.2
221.05869	0.9
225.09167	1.3
229.14278	4.1
239.17831	1.0
253.08519	2.4
264.73975	0.8
267.15869	3.1
285.07523	0.9
285.11172	1.7
285.16867	25.4
285.22064	2.5
307.35577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05958	1.2
53.03948	2.5
55.01865	8.6
55.05506	14.6
57.03438	20.6
57.07057	2.8
65.71406	1.3
67.05503	40.2
69.03431	2.7
69.07067	20.4
69.98506	1.5
71.04987	4.1
73.02903	1.2
74.65604	1.3
79.05492	22.4
81.03411	3.9
81.07056	100.0
83.04978	9.8
83.08622	7.2
85.02903	2.7
85.06536	5.4
91.05476	28.0
93.07033	15.5
95.04973	7.5
95.08601	28.3
97.06506	7.1
97.10138	1.6
98.98499	1.5
99.08083	5.6
101.06001	2.2
105.07029	39.2
107.08597	15.3
108.52505	1.3
109.06516	4.9
109.10133	2.2
111.08049	2.5
113.05990	1.7
119.08588	30.4
121.06561	1.7
121.10134	20.9
123.08068	4.7
123.11710	29.6
127.07556	3.9
129.06992	4.9
131.08560	4.3
133.10127	3.9
137.09633	2.0
137.13234	2.3
143.08542	1.9
145.10152	3.0
147.11688	79.8
148.07471	2.0
154.07755	1.7
155.08513	1.7
157.10138	3.7
159.11716	2.6
161.09581	1.4
165.07004	1.8
165.12749	36.8
167.24808	1.4
169.10078	2.8
171.11649	2.0
174.92336	1.5
175.11194	1.6
183.11740	1.7
183.13797	5.3
193.06479	1.5
193.12209	3.8
218.29166	1.4
221.05830	1.4
225.09148	3.3
225.16245	1.6
229.14224	7.8
229.23152	1.2
239.17905	1.7
245.12914	1.3
249.16383	1.8
253.08636	4.9
267.15778	8.6
285.04236	1.7
285.11365	2.9
285.16745	26.9
285.21866	2.7
303.36081	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	285.0756
Annotation	Isooxoflaccidin
Peak:m/z	Relative Intensity
53.03925	0.6
55.01852	1.4
55.05507	3.7
57.03442	5.0
57.07051	0.6
65.03931	0.6
67.05505	6.9
68.99770	0.8
69.07055	3.9
69.28108	4.1
69.28528	1.9
70.27765	0.5
71.04947	1.6
71.53670	0.5
72.87904	0.5
73.82201	0.5
79.05491	5.1
81.03382	2.2
81.07053	18.4
83.04943	0.8
83.08578	2.3
85.02876	1.3
85.06493	1.7
91.05475	5.3
93.07052	4.0
93.33878	0.6
94.04158	1.5
95.04937	1.8
95.08598	5.8
97.06486	1.0
99.08009	0.7
105.07033	7.1
107.04939	0.9
107.08585	2.6
109.06467	1.5
109.10136	0.9
111.07984	0.6
112.13690	0.6
119.08555	6.0
121.02857	6.0
121.10155	3.6
123.08030	0.9
123.11701	6.6
124.59019	0.6
127.07504	0.9
129.07001	1.3
131.08560	1.4
133.10085	1.6
135.04369	0.9
137.02330	1.4
141.06941	0.9
145.10088	1.2
147.11685	14.8
157.10078	1.5
161.05942	1.7
163.03922	0.9
165.06949	1.4
165.12761	7.4
169.06482	0.7
175.11166	1.1
177.01741	0.9
182.07219	0.9
183.11691	0.7
183.13818	0.8
185.13266	0.9
191.03412	5.2
193.06456	0.7
193.12213	2.2
197.05948	4.5
210.06764	1.2
213.05467	6.3
214.06166	0.7
221.05920	1.9
225.05511	1.0
225.09129	2.6
229.14262	0.8
236.07564	0.5
241.04961	1.7
242.05721	12.6
243.06396	1.1
253.04988	1.8
253.08565	5.5
267.15820	0.9
269.04437	58.9
270.05212	85.6
271.05588	2.1
285.07565	100.0
285.16766	5.5
285.22000	1.5
285.29938	0.6
286.07938	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0757
Annotation	Acacetin
Peak:m/z	Relative Intensity
55.01851	0.8
55.05502	1.5
56.87050	0.3
57.03437	2.0
57.07059	0.5
63.00008	0.3
63.45703	0.3
67.05504	3.4
69.03417	0.6
69.07059	1.7
70.01456	0.4
70.01866	1.1
70.06576	0.3
71.04966	0.8
72.08148	0.3
79.05486	2.3
81.02973	0.2
81.03416	1.7
81.06594	0.5
81.07050	8.0
83.04945	1.2
83.05399	0.3
83.08586	0.9
84.29159	0.3
85.02904	1.2
85.06517	0.7
91.05476	2.7
93.07057	2.1
95.04944	0.9
95.08157	0.2
95.08607	2.5
97.06526	0.7
97.10158	0.3
98.97609	0.3
98.98441	0.4
99.08104	0.3
105.07025	3.5
107.08599	1.4
108.86029	0.2
109.06467	0.9
109.10128	0.6
111.04382	0.5
111.08043	0.5
117.07024	0.3
119.04908	0.4
119.08565	2.6
121.06491	0.3
121.10139	2.1
123.04415	0.4
123.08051	0.5
123.11707	2.2
125.09643	0.3
129.06984	0.9
131.08539	0.9
133.06494	0.4
133.10100	1.0
135.04459	0.3
135.11656	0.4
137.02336	1.6
137.06000	0.3
141.07001	0.3
143.08572	0.4
145.10083	0.8
147.04410	0.4
147.11682	5.7
157.06415	0.3
157.10095	0.9
159.11629	0.6
161.05977	0.8
165.06995	0.8
165.12738	2.2
168.05690	0.3
171.11629	0.5
175.03899	0.6
175.11127	0.4
182.07257	0.3
183.13766	0.5
185.05867	0.3
193.06462	0.6
193.12239	1.2
197.13231	0.3
207.06499	0.4
210.06664	0.8
211.07613	0.3
211.13239	0.8
213.05467	3.0
214.06039	0.3
221.06006	0.9
225.09079	1.5
229.14360	0.4
241.04990	1.2
242.05734	50.4
243.06104	1.5
253.08640	2.4
270.05225	62.1
271.05545	2.3
285.07571	100.0
285.16983	2.0
285.22171	0.7
286.07935	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.03923	0.2
55.05495	0.4
55.56663	0.2
57.03421	0.2
67.05461	0.5
67.09053	0.2
69.07056	0.3
69.45355	0.4
69.45760	1.4
77.28823	0.2
79.05460	0.5
81.03383	0.4
81.07032	0.6
83.04953	0.3
83.08611	0.2
85.02906	0.3
89.03867	0.2
91.05446	0.6
91.73830	0.2
93.07001	0.5
95.04964	1.5
95.08578	0.4
101.88241	0.2
102.88333	0.1
105.07036	0.8
106.28536	0.2
107.04940	0.2
107.08587	0.5
108.02087	4.4
117.07011	0.2
119.08540	0.5
121.10156	0.3
123.04388	0.3
123.11622	0.2
125.05955	0.3
131.08549	0.3
133.10080	0.3
135.04417	1.9
137.02301	0.5
140.06137	0.2
143.08635	0.2
145.10045	0.3
147.11665	0.4
150.19833	0.2
151.02747	0.3
151.03896	4.2
154.07764	0.2
157.10173	0.3
159.11656	0.4
161.01154	0.2
161.02345	3.4
161.06039	0.3
165.06978	0.5
168.05714	0.9
169.04968	1.8
169.10112	0.2
171.07924	0.2
171.11661	0.3
173.13225	0.2
181.06429	0.2
183.11778	0.2
185.13239	0.2
186.06728	0.6
193.06444	0.3
193.12247	0.3
196.05159	0.4
197.05939	0.5
199.14842	0.2
211.07460	0.5
211.14795	0.3
213.05452	0.5
214.06241	0.5
221.05949	0.3
224.04678	0.6
225.09102	0.4
229.08591	0.2
239.06941	0.5
239.17995	0.3
241.05016	0.2
242.05725	23.7
243.06152	0.6
253.08524	1.1
257.07910	0.3
267.06454	0.2
270.02249	0.2
270.05219	6.8
285.07559	100.0
285.22012	0.8
286.07898	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	284.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54531	0.4
55.05515	2.8
56.05027	0.4
57.03430	1.0
57.07082	0.7
61.85753	0.5
65.03973	0.6
67.05501	3.0
69.03447	0.5
69.07058	1.9
70.02945	2.0
70.06566	1.3
72.04497	0.5
72.08143	0.8
74.06091	0.6
79.05492	3.7
80.05015	0.7
80.05820	0.7
81.03408	4.0
81.07050	4.1
82.06558	1.3
83.04974	0.9
83.08614	1.3
84.04488	0.6
84.08142	1.0
85.01226	0.4
85.02905	0.9
86.09704	0.8
86.92011	0.6
88.03977	1.5
91.05468	2.6
92.05807	0.5
93.07041	6.4
94.06570	1.0
95.04951	1.8
95.08597	2.8
96.08147	0.5
97.02870	0.7
98.06041	0.6
98.20722	1.2
102.05537	0.5
105.07037	2.3
107.04936	0.9
107.08587	3.1
108.08118	9.3
108.08855	0.8
109.08909	0.5
109.10158	1.4
110.09679	2.0
111.04440	0.8
111.08076	1.1
112.07602	1.0
118.05023	1.0
119.08558	2.2
120.08119	1.1
121.10136	1.3
122.09666	7.9
123.10445	1.5
124.07638	0.6
124.11213	0.8
131.08493	0.6
133.10138	0.7
134.09662	0.5
135.11676	4.5
136.11194	2.4
137.13203	0.8
138.09174	0.6
139.07555	0.6
140.10698	1.5
147.11784	0.8
148.11240	0.6
150.12776	12.6
151.13585	6.5
164.14380	1.1
165.01779	0.6
166.12282	1.6
166.15938	0.9
168.06561	1.2
168.10191	0.7
172.09718	0.9
176.14365	0.6
178.15901	5.1
178.87752	0.5
180.10146	0.7
181.10078	0.6
183.02765	1.0
186.11140	1.0
192.13841	0.8
193.12238	1.8
194.15393	3.3
196.09717	0.7
198.11218	0.7
210.11684	2.1
210.14893	3.5
222.14876	0.6
238.14307	1.2
238.18100	0.5
240.15939	100.0
241.16266	2.1
242.17525	5.6
245.97282	0.5
253.08617	1.0
260.31964	0.5
284.16165	1.7
284.18549	45.3
284.29425	1.8
285.03799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54531	0.4
55.05515	2.8
56.05027	0.4
57.03430	1.0
57.07082	0.7
61.85753	0.5
65.03973	0.6
67.05501	3.0
69.03447	0.5
69.07058	1.9
70.02945	2.0
70.06566	1.3
72.04497	0.5
72.08143	0.8
74.06091	0.6
79.05492	3.7
80.05015	0.7
80.05820	0.7
81.03408	4.0
81.07050	4.1
82.06558	1.3
83.04974	0.9
83.08614	1.3
84.04488	0.6
84.08142	1.0
85.01226	0.4
85.02905	0.9
86.09704	0.8
86.92011	0.6
88.03977	1.5
91.05468	2.6
92.05807	0.5
93.07041	6.4
94.06570	1.0
95.04951	1.8
95.08597	2.8
96.08147	0.5
97.02870	0.7
98.06041	0.6
98.20722	1.2
102.05537	0.5
105.07037	2.3
107.04936	0.9
107.08587	3.1
108.08118	9.3
108.08855	0.8
109.08909	0.5
109.10158	1.4
110.09679	2.0
111.04440	0.8
111.08076	1.1
112.07602	1.0
118.05023	1.0
119.08558	2.2
120.08119	1.1
121.10136	1.3
122.09666	7.9
123.10445	1.5
124.07638	0.6
124.11213	0.8
131.08493	0.6
133.10138	0.7
134.09662	0.5
135.11676	4.5
136.11194	2.4
137.13203	0.8
138.09174	0.6
139.07555	0.6
140.10698	1.5
147.11784	0.8
148.11240	0.6
150.12776	12.6
151.13585	6.5
164.14380	1.1
165.01779	0.6
166.12282	1.6
166.15938	0.9
168.06561	1.2
168.10191	0.7
172.09718	0.9
176.14365	0.6
178.15901	5.1
178.87752	0.5
180.10146	0.7
181.10078	0.6
183.02765	1.0
186.11140	1.0
192.13841	0.8
193.12238	1.8
194.15393	3.3
196.09717	0.7
198.11218	0.7
210.11684	2.1
210.14893	3.5
222.14876	0.6
238.14307	1.2
238.18100	0.5
240.15939	100.0
241.16266	2.1
242.17525	5.6
245.97282	0.5
253.08617	1.0
260.31964	0.5
284.16165	1.7
284.18549	45.3
284.29425	1.8
285.03799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01868	0.5
55.04941	0.2
56.96550	0.5
57.03431	0.5
69.03428	0.4
70.06606	1.3
70.06930	0.4
71.28835	0.3
71.29194	0.5
72.08155	0.2
73.02928	0.3
84.08132	0.5
85.02898	0.5
86.09737	0.2
87.04502	0.2
97.02902	0.3
98.97603	0.4
109.05124	0.5
109.95904	0.4
110.02791	0.3
110.03524	3.0
110.07159	0.6
110.09660	0.3
116.98596	0.3
128.04558	1.6
135.03011	4.3
136.06201	1.7
141.10243	0.3
152.05673	100.0
153.04077	10.3
153.06065	0.6
154.02499	0.2
167.48280	0.2
169.09709	0.4
221.04964	0.2
224.07996	0.3
272.42892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78088	0.7
55.01860	0.9
55.05481	1.2
55.47170	0.8
56.05019	1.3
56.96552	1.1
58.99589	1.0
63.00029	1.2
67.05479	0.9
69.03402	1.0
69.07027	0.8
70.06582	2.3
71.58174	1.2
72.08141	3.5
79.05466	1.4
81.03390	1.0
81.07030	2.1
83.06095	2.3
84.04501	54.6
84.08117	2.7
85.02905	3.7
86.09696	1.5
88.03957	0.9
91.05479	1.7
93.07036	1.9
95.07338	1.7
97.02853	1.2
98.44933	0.8
101.07122	4.8
102.05524	2.0
110.06018	1.5
110.07165	1.4
110.09650	2.3
114.10268	1.1
116.07108	1.1
119.04904	1.4
119.08582	1.3
123.06796	3.0
126.09124	9.3
127.31351	0.8
129.06573	6.8
129.97827	0.8
130.04996	69.4
137.05927	1.3
138.09132	100.0
140.07019	0.8
147.04410	3.7
147.07639	48.7
152.05620	1.6
155.11816	1.2
155.81760	0.7
161.05977	1.7
165.07040	1.9
167.06857	0.9
180.06563	0.9
181.06564	1.2
190.73778	0.9
193.06442	1.8
194.07118	1.5
196.17229	0.8
202.22888	0.9
210.06746	2.5
213.05505	1.6
215.03476	1.0
221.05954	1.7
221.12804	5.4
225.09058	3.2
253.08553	4.7
266.17545	1.0
284.06033	0.9
284.09586	1.0
284.16040	9.7
284.29462	5.3
285.03946	2.6
285.07938	0.9
285.11197	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03967	1.9
55.05505	7.7
56.54210	1.8
57.07049	2.7
65.27892	1.8
67.05503	10.3
69.07064	2.7
70.19549	10.2
73.80995	1.9
79.05495	11.9
81.07056	12.4
83.08604	3.9
91.05475	25.9
93.07036	12.0
95.04947	2.8
95.08597	19.0
100.12846	1.9
105.07031	23.4
107.08604	13.3
109.06549	1.9
109.10181	11.4
117.07040	13.7
119.08588	36.6
121.10149	24.3
123.08099	2.7
123.11706	3.4
128.06218	4.2
129.07008	12.4
131.08557	19.4
133.10144	23.1
135.07961	1.9
135.11684	5.3
137.09564	2.8
141.06958	6.2
142.07770	5.6
142.66672	1.8
143.08577	13.7
145.10118	22.9
147.07976	3.2
147.11691	27.9
151.11211	3.2
155.08575	9.4
157.10133	17.3
159.11668	17.2
161.09610	3.6
161.13121	2.1
163.11150	6.8
165.06984	3.3
166.07779	3.1
167.08568	5.5
168.09306	3.8
169.10115	22.2
171.11671	19.4
173.09700	2.0
173.13289	6.8
180.09332	3.4
181.10114	21.2
182.10904	3.9
183.11693	27.5
184.12440	2.9
185.13234	19.1
187.14757	2.1
193.10072	2.3
195.11700	16.5
196.12390	3.4
197.13275	14.7
198.13879	1.9
199.14865	12.2
207.11726	3.1
209.13226	17.2
210.13788	2.6
211.14803	6.5
213.16370	3.2
223.14796	8.0
224.15556	2.6
225.16344	4.7
227.14355	6.3
235.14734	2.7
237.16449	14.1
239.17906	32.4
241.19537	14.3
245.61084	2.0
255.21117	7.3
265.19504	43.3
266.19937	2.6
283.20563	100.0
283.27954	9.4
288.97687	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.69579	1.7
55.01868	3.4
55.05509	13.9
57.03424	4.1
57.07059	7.5
65.03912	3.7
67.05510	16.7
68.95560	1.7
69.03427	8.9
69.07067	19.2
69.52911	15.6
71.05001	4.3
79.05496	21.0
81.07059	34.5
83.04979	4.2
83.08616	7.5
85.06573	1.6
91.05486	19.5
91.19570	1.8
93.07040	26.9
95.04977	11.6
95.08607	24.2
97.06500	2.6
97.10136	4.0
98.20786	3.6
99.04396	1.7
103.05489	1.9
105.07037	46.0
107.04963	2.2
107.08596	26.2
109.06483	10.3
109.10154	16.6
111.08062	2.5
115.05422	3.6
117.07027	12.0
119.08577	37.7
121.06522	10.4
121.10149	79.7
123.08030	8.4
123.11694	9.9
125.71496	1.8
128.06218	3.3
129.06999	7.8
130.07817	3.1
131.08578	27.2
133.10143	25.3
135.08052	10.3
135.11688	14.8
137.81093	2.0
141.06998	4.0
142.07802	6.1
143.08575	22.1
144.09367	3.7
145.10114	29.1
147.08029	4.5
147.11678	8.3
149.09578	3.4
151.11105	2.3
155.08578	8.4
156.09317	8.6
157.10132	25.1
158.10907	6.8
159.08049	4.7
159.11710	18.3
161.09622	24.1
161.13239	6.0
163.11160	5.9
165.06944	2.7
167.08568	4.5
168.09331	3.2
169.10129	7.8
170.10818	2.8
171.08089	2.1
171.11717	17.5
172.08734	2.2
173.09625	4.8
173.11797	2.3
173.13274	45.6
175.11143	3.5
175.14841	6.7
179.08507	6.1
180.09392	2.2
181.10103	6.3
181.12149	2.6
182.10883	2.6
183.11710	10.0
184.12459	2.4
185.09630	3.3
185.13301	12.5
187.11288	2.3
187.14894	10.0
187.16235	2.2
189.12680	3.3
191.10706	2.8
191.14352	2.4
193.10133	4.9
194.10948	6.2
195.11685	6.8
196.12444	3.3
197.13269	7.4
199.11234	3.7
199.14845	7.5
201.12758	3.2
201.16354	3.0
208.12376	3.2
209.13283	15.9
211.14854	2.9
213.12799	5.1
213.16325	3.4
214.13545	2.3
223.14789	9.9
225.16347	6.4
227.14449	8.6
235.14720	2.1
237.16522	3.6
239.17918	3.0
241.15910	4.9
255.21124	11.1
265.19547	26.4
283.20554	100.0
284.20959	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
50.08013	3.0
53.03941	3.8
55.01867	5.5
55.05503	28.2
57.03431	12.6
57.07071	12.9
63.56054	3.2
67.05500	25.8
68.82021	2.7
69.03420	13.1
69.07060	52.5
70.86413	2.8
71.04977	7.8
71.08617	3.4
71.59381	6.1
71.99395	2.8
79.05492	21.9
81.07050	38.7
81.75909	3.7
83.04965	6.1
83.08613	20.4
85.10196	4.2
91.05468	24.7
92.58813	3.1
93.07039	40.1
93.91317	2.7
95.04964	12.6
95.08598	29.5
97.02921	6.2
97.06546	8.3
97.10167	10.9
97.33901	2.7
105.07030	55.3
107.04942	6.2
107.08589	35.2
109.06473	4.7
109.10149	26.9
111.04464	6.5
111.08103	3.5
111.11717	4.7
117.07005	16.2
119.08572	41.8
121.06480	11.2
121.10138	100.0
123.08086	11.1
123.11703	13.0
128.06212	4.1
129.06990	7.6
131.08566	27.3
133.10132	25.4
135.08054	8.5
135.11684	16.5
141.06967	4.1
142.07784	6.9
143.08559	19.2
145.10106	35.4
147.11673	8.6
149.13297	3.6
151.11185	6.1
153.12720	4.5
155.08588	6.8
156.09338	6.4
157.10107	23.5
158.10957	7.6
159.11723	12.0
161.09628	25.1
163.11185	14.9
165.06963	3.5
168.09256	4.6
169.10146	11.0
171.11694	13.7
173.09666	6.7
173.13232	44.9
175.11176	4.3
175.14847	5.6
175.59990	3.3
179.08559	7.3
180.09258	3.2
181.10155	7.2
181.12291	5.0
183.11696	6.3
185.13264	9.6
187.11368	3.5
187.14795	10.0
189.12819	4.5
191.08403	3.4
193.10129	3.6
194.10902	5.7
195.11679	13.1
197.13304	5.8
199.14746	5.9
201.16341	4.5
209.13268	15.6
213.12764	7.2
213.16344	5.3
221.13277	4.0
223.14821	7.7
225.16374	3.9
227.12590	6.2
227.14493	6.1
241.15829	3.7
263.44370	3.6
265.19568	24.4
283.20364	88.9
283.27917	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	283.2055
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
50.57416	1.9
55.01853	2.9
55.05511	10.3
57.03414	2.4
57.07076	2.3
61.90881	1.8
67.05502	21.6
69.03418	2.2
69.07059	16.0
69.59325	15.7
76.28790	1.9
77.03921	2.1
79.05493	26.6
81.07056	20.8
83.04948	2.9
83.08591	2.9
85.29081	1.9
91.05475	52.9
91.91354	2.0
93.07039	20.9
95.04961	5.2
95.08599	25.2
97.06528	6.0
105.07025	34.8
107.04950	3.0
107.08591	29.8
109.06481	2.5
109.10152	31.3
115.05418	4.3
117.07010	19.6
119.08570	70.1
121.06496	3.0
121.10145	23.9
123.11727	11.2
125.09612	5.0
128.06187	8.0
129.06996	23.3
131.08571	33.4
133.10126	50.7
135.08066	3.4
135.11682	5.4
137.09618	3.7
141.06955	3.3
142.07764	5.7
143.08554	19.4
145.06491	2.4
145.10118	39.4
147.08020	6.3
147.11716	12.9
149.09630	3.7
149.13254	3.1
151.11151	4.3
153.06999	3.2
154.07785	4.9
155.08536	18.1
156.09315	4.7
157.10159	22.0
159.08107	2.2
159.11674	17.0
161.09610	13.5
161.13239	2.5
163.11153	7.0
167.08549	7.3
168.09312	2.0
169.10071	13.5
171.11707	16.9
173.09537	3.2
173.13257	19.7
175.11230	2.7
175.14722	2.9
179.08478	3.1
181.10156	10.7
183.11676	12.8
185.13202	13.8
187.11176	2.3
189.12749	2.1
195.11731	14.4
197.13248	5.1
199.14822	4.4
201.12793	3.5
209.13239	14.5
211.14746	2.8
213.12738	2.8
223.14752	8.3
224.15170	2.1
225.16429	2.4
227.12605	2.7
237.16359	5.8
239.17969	4.8
241.19499	3.0
244.15465	1.9
250.95998	2.5
255.21010	3.6
265.19504	52.6
283.17419	4.6
283.20538	100.0
284.20886	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03934	3.3
55.01852	3.0
55.05516	11.3
57.03424	5.9
57.07055	3.0
67.05504	18.1
69.03394	1.4
69.06731	1.5
69.07074	19.3
71.04973	2.9
71.59076	3.1
78.61321	1.4
79.05489	17.8
81.03411	3.9
81.07047	21.7
83.04983	7.9
83.08614	7.0
85.02857	2.0
85.06533	2.3
91.04968	2.2
91.05483	24.7
93.07050	28.1
94.88382	1.4
95.04957	5.7
95.08611	24.0
96.36970	1.6
97.02872	4.7
97.06547	3.7
97.10105	2.2
99.04439	2.0
99.08060	1.7
105.07029	31.5
107.04961	2.7
107.08599	21.3
109.06452	2.3
109.10175	15.9
111.04452	7.0
111.08074	3.2
115.05461	1.8
117.07023	16.4
119.08578	42.0
121.06500	2.9
121.09334	2.2
121.10152	32.2
123.08071	2.7
123.11716	10.0
128.06245	4.0
129.07019	13.3
130.07748	3.2
131.08578	19.2
133.10129	28.4
135.11685	12.5
137.09628	4.8
141.06966	6.1
141.71992	1.6
142.07806	3.8
143.08565	15.8
144.09360	2.4
145.10123	29.3
147.08063	5.2
147.11685	31.0
149.09627	3.6
151.11189	8.5
153.07016	3.9
153.12703	5.2
154.07794	3.0
155.08571	13.4
156.09328	2.8
157.10138	19.1
159.11703	19.9
161.13248	5.4
163.11186	14.9
165.07048	2.6
165.12721	2.8
166.07762	4.3
167.08563	7.4
168.09348	4.4
169.10114	17.0
170.10866	2.4
171.11682	21.0
173.09612	4.2
173.13217	8.5
175.11200	4.2
179.08447	2.0
180.09358	2.7
181.10103	24.3
181.12149	4.2
182.10866	3.1
183.11693	21.9
184.12424	4.3
185.09625	1.5
185.13261	13.8
187.14816	2.2
191.10619	2.6
193.10069	1.9
194.10841	2.4
195.11700	19.7
196.12451	2.4
197.13255	17.7
199.14809	13.0
201.12708	2.2
207.11673	1.8
208.12555	2.3
209.11624	3.3
209.13266	14.6
210.14014	2.1
211.14787	8.7
213.12410	1.8
213.16418	4.1
222.59323	1.6
223.14842	7.7
224.15561	1.8
225.16386	4.9
227.12636	4.5
227.14532	2.7
227.17993	2.1
235.14749	2.0
236.15620	1.8
237.16418	12.1
239.17960	43.1
240.18436	3.3
241.19536	14.6
250.16985	1.8
255.17529	2.7
255.21091	5.0
265.19556	43.3
266.19916	1.9
283.15506	6.4
283.20547	100.0
284.20862	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43702	0.7
53.03941	2.5
55.01873	7.6
55.05266	1.1
55.05508	14.4
57.03436	11.8
57.07058	1.3
61.02896	0.9
65.03923	1.1
65.22271	0.9
67.05504	22.9
69.03416	2.8
69.07069	8.9
70.83801	1.0
70.84145	1.7
71.04987	4.5
73.02892	2.0
79.05492	35.9
80.05830	1.4
80.40466	0.7
81.03409	3.8
81.06583	1.4
81.07056	26.7
83.05005	4.2
83.08616	11.5
85.06528	1.3
91.05472	13.2
93.03345	0.9
93.07043	50.1
95.04970	11.8
95.08604	47.4
96.08926	1.2
97.02871	5.3
97.06532	5.0
97.10224	0.9
99.04444	4.8
99.08085	1.0
103.05462	3.6
105.07029	10.2
107.04958	14.5
107.08591	35.1
108.08836	0.8
109.06525	3.5
109.10161	4.7
111.04437	2.2
111.08094	1.8
111.92764	0.7
113.06006	1.0
113.09636	1.1
116.06269	0.9
117.07016	12.6
119.08590	13.8
121.02905	1.4
121.06520	7.1
121.09321	1.3
121.10137	17.3
123.08060	1.1
125.05981	3.3
127.07569	0.9
129.07005	0.7
130.07800	3.7
130.13428	0.8
131.04922	1.1
131.08594	2.0
133.10149	3.6
134.09703	1.2
135.08041	3.2
135.10027	1.6
135.11687	57.4
139.07509	1.6
139.11200	0.8
143.08588	1.6
145.06508	1.5
145.10120	34.4
145.44862	0.8
147.04373	0.7
147.08047	1.4
147.11740	0.9
153.12752	1.7
155.08504	0.9
163.11177	83.6
164.11652	0.7
173.09610	1.3
181.12231	18.7
196.20653	0.8
204.50441	0.7
209.11681	1.7
212.19949	1.1
223.07672	0.7
224.48140	0.8
227.12775	100.0
228.13083	1.4
229.13293	0.8
283.06351	0.7
283.09668	2.5
283.12381	1.3
283.15338	21.2
283.20511	2.2
283.27432	2.0
284.15839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01873	13.2
55.05512	22.7
57.03446	21.0
57.07061	2.6
65.03935	3.6
67.05506	35.1
69.03431	4.5
69.07060	14.3
70.06596	2.9
71.04991	7.7
72.08158	3.1
73.02912	2.6
79.05494	53.7
80.05758	2.2
81.03411	7.9
81.07057	37.0
83.04988	13.6
83.08630	15.7
85.02915	3.3
85.06544	3.7
86.09674	1.9
91.05472	20.7
93.07046	69.4
95.04976	14.8
95.08607	58.6
97.02888	11.9
97.06534	9.2
97.10169	2.0
99.04449	6.2
99.08114	2.0
105.07019	16.1
107.04960	20.0
107.08602	43.1
109.06512	5.2
109.10153	4.6
111.04440	8.3
111.08103	3.7
113.09686	2.8
115.05454	2.9
117.07006	15.0
119.08588	16.6
121.06520	10.3
121.10152	25.6
125.05988	5.6
130.07727	3.7
131.08568	4.8
133.10146	6.7
135.08098	3.2
135.11690	67.7
135.12730	4.5
139.07585	3.3
143.08633	2.2
145.10132	46.0
153.12759	4.8
157.16780	1.9
163.11185	91.2
167.05748	2.5
167.07312	2.2
168.24719	2.1
173.09610	4.1
177.05531	3.5
181.12224	21.6
191.10558	4.2
204.16835	1.8
209.11682	18.5
222.62221	2.2
227.12781	100.0
246.53442	2.1
283.06293	2.6
283.15384	26.9
285.01215	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01866	7.1
55.05510	19.2
57.03183	2.0
57.03439	20.6
57.07066	1.9
65.03932	1.5
67.05171	2.3
67.05502	28.3
69.03410	3.2
69.07074	12.9
69.11325	1.2
70.06567	1.2
70.50864	4.9
71.04973	5.4
71.05317	1.2
72.08125	2.5
73.02906	2.2
77.03919	1.6
79.05491	39.5
81.03411	4.5
81.07056	37.7
83.01321	1.4
83.04980	6.7
83.08627	13.5
84.60783	1.2
85.02877	2.5
85.06505	3.2
91.05477	19.8
92.66295	1.2
93.07043	62.2
95.04964	14.6
95.08605	54.3
97.02887	4.6
97.06513	9.3
97.10155	2.2
99.04453	4.9
103.05471	2.6
105.07021	17.6
107.04964	12.7
107.08591	39.6
109.06503	4.7
109.10149	6.7
111.04450	3.0
111.08076	2.5
113.05977	1.3
113.09656	1.5
115.05414	1.6
117.07016	14.9
119.08574	16.6
120.04478	1.2
121.02837	1.7
121.06519	9.5
121.09325	1.8
121.10143	23.0
123.04401	1.4
123.08054	1.8
123.11681	4.7
125.05995	6.3
125.06973	1.1
128.06227	1.5
129.07002	3.5
130.07802	4.9
131.04851	1.4
131.08531	4.1
133.10149	9.4
135.08046	4.8
135.11690	67.3
139.07510	3.4
143.08546	2.5
145.06444	2.6
145.10121	41.0
147.08026	4.2
147.11670	3.0
149.13249	4.9
155.08517	2.2
157.10117	1.6
159.08089	1.3
159.11700	2.3
161.13158	1.3
163.11179	87.6
166.07196	2.5
167.07439	2.6
173.09607	3.5
175.14882	2.2
179.31882	1.3
181.12236	19.5
185.13348	1.5
191.10684	1.4
195.08038	1.1
195.11703	1.5
203.17921	2.2
205.15918	1.4
209.11716	1.8
213.12703	1.6
223.16875	2.0
227.12773	100.0
228.13319	2.0
240.07874	1.4
247.16779	1.3
268.07132	1.3
283.09903	3.0
283.15375	18.4
283.20566	5.3
283.23550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61324	2.0
55.01874	6.3
55.05512	22.0
57.03436	16.9
57.07065	3.0
59.03449	1.9
64.94205	1.9
67.05505	30.5
69.03417	3.9
69.07069	12.1
71.04978	4.5
71.57939	2.0
71.58337	3.2
79.05493	37.5
79.55197	2.0
80.87091	1.9
81.03411	5.2
81.07057	33.3
83.04980	7.1
83.08624	14.3
91.05478	18.5
91.74645	2.1
93.07045	53.2
93.35574	2.0
95.04982	13.3
95.08607	54.1
97.02878	4.8
97.06527	5.7
99.04471	5.4
103.94233	2.0
105.07024	19.8
107.04972	12.6
107.08602	37.5
108.85613	2.4
109.06520	3.4
109.10133	4.8
111.04434	5.9
117.07006	15.3
119.08574	14.0
121.06523	9.7
121.10147	20.5
125.05949	5.6
129.06993	3.0
130.07761	4.4
131.08563	5.2
133.10149	4.6
135.08075	4.4
135.11691	64.0
143.08585	4.9
145.10127	35.9
153.12801	3.6
155.08571	2.8
163.11183	90.7
173.09616	3.2
181.12230	22.1
185.13266	3.9
209.11719	3.3
209.13504	2.6
216.75230	2.1
227.10518	4.8
227.12778	100.0
255.15984	2.8
265.19617	3.7
283.15216	22.5
283.20587	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99878	2.0
55.01863	6.4
55.05511	14.6
57.03454	14.9
57.03689	3.4
57.07069	4.2
67.05503	22.4
69.03429	2.5
69.07068	15.1
69.32056	26.0
71.04993	5.6
73.02927	2.4
73.45531	2.0
79.05492	38.4
81.03410	4.2
81.07050	24.6
83.04979	7.6
83.08615	13.8
89.06015	3.6
91.05470	16.9
91.17667	2.2
93.07047	54.1
95.04958	12.0
95.08604	54.5
97.02891	5.6
97.06518	5.4
98.20661	3.8
99.04462	6.6
103.34694	2.0
105.07032	17.6
107.04948	16.8
107.08599	40.8
109.06540	4.2
109.10159	7.4
111.04442	4.6
117.07005	14.0
119.08575	23.9
120.95552	2.3
121.06515	8.5
121.10140	26.3
125.05977	4.0
130.07779	3.5
133.08585	2.6
133.10117	6.0
135.08086	3.9
135.11691	66.0
139.07518	4.0
143.08618	2.9
145.10117	40.3
147.11757	3.5
153.12721	4.4
157.10153	3.0
163.11183	91.4
173.09596	3.4
178.92442	2.1
181.12244	25.0
208.12195	2.5
209.13344	2.8
227.10524	5.4
227.12775	100.0
228.13063	3.4
265.19586	3.7
283.15167	21.2
283.20581	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.1
53.03933	3.6
55.01871	7.7
55.05507	19.5
57.03437	15.0
57.07067	2.1
58.41824	1.0
59.90947	1.0
65.03916	1.8
67.05501	29.0
69.03413	3.9
69.07070	12.2
69.99586	2.2
69.99986	4.7
71.04974	4.1
73.02895	2.1
76.27732	1.0
79.05486	42.0
80.05805	1.2
81.03397	4.3
81.06584	1.7
81.07050	29.7
83.04984	9.1
83.08604	13.1
85.06551	1.4
86.09657	1.1
90.95396	1.1
91.05473	18.7
93.07037	52.9
94.07323	1.4
95.04948	12.4
95.08595	58.4
97.02874	5.8
97.06516	4.5
97.10164	1.8
98.20758	1.3
99.04463	6.2
103.05449	2.4
105.07034	12.3
107.04956	13.6
107.08579	36.9
109.06499	3.6
109.10118	3.4
111.04398	3.6
111.08048	2.1
117.07014	16.8
117.09491	1.3
119.08584	13.4
121.06496	7.9
121.10140	16.9
123.11708	1.7
125.05985	5.6
129.06956	2.4
130.07776	3.1
131.08519	2.7
133.10155	5.7
135.08023	4.1
135.11684	66.4
137.13177	1.1
139.07500	2.6
143.08583	1.7
145.10114	38.0
153.12735	2.0
155.08565	2.1
163.11168	91.1
164.11479	1.5
173.09529	1.6
181.12218	19.4
195.08112	1.5
209.11874	2.1
227.12756	100.0
228.13069	1.8
233.11446	1.4
240.07990	1.5
269.12402	1.8
283.09677	3.2
283.15216	49.2
283.20343	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73119	1.0
53.03940	2.9
55.01872	10.5
55.05494	2.9
57.03434	2.3
57.59969	0.8
59.04984	1.1
59.68482	0.9
60.57462	0.8
61.02896	1.5
65.03928	1.8
67.05498	6.2
69.03439	1.6
69.07062	1.7
69.34547	1.6
69.34949	8.5
70.06599	1.0
71.04987	3.5
73.02911	2.7
76.02205	1.1
79.05488	8.0
81.03403	1.8
81.07046	5.3
83.01334	0.9
84.04522	1.7
85.01137	1.2
85.02883	2.1
91.05477	32.0
93.06481	1.6
93.07040	22.3
95.04959	2.9
95.08604	12.3
97.02886	2.9
101.02367	5.5
103.05468	3.2
104.06268	1.7
105.07048	6.4
107.04955	1.5
107.08581	4.0
109.02859	4.8
109.06512	2.9
109.10172	4.8
110.03503	1.6
114.09962	1.1
115.05429	1.4
117.07021	9.3
119.03413	2.1
119.08576	100.0
120.08855	1.0
121.02855	0.8
121.06494	1.6
121.10136	1.0
123.04419	2.9
123.08051	2.4
128.04576	1.4
129.07033	1.5
131.04881	1.0
131.08614	1.0
135.08012	2.6
135.11667	1.1
137.09564	6.1
145.06422	1.0
145.07520	0.9
145.10149	1.2
147.06934	1.7
147.08040	20.3
152.05678	25.7
153.04054	2.1
153.06139	12.3
154.04451	1.7
156.08112	1.0
158.02544	0.9
161.23172	1.0
163.11140	1.5
165.09106	15.9
166.07254	1.0
167.05598	0.9
167.07455	1.1
173.04469	1.8
183.10152	2.9
194.07109	1.3
194.57182	3.0
224.31685	0.9
253.10619	2.2
265.10641	1.8
283.11987	5.4
283.15784	3.3
291.19287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.279
Annotation	Dodemorph
Peak:m/z	Relative Intensity
53.48603	0.2
55.05501	0.9
57.07076	6.9
67.05484	0.7
69.07056	0.9
69.07360	0.1
71.04961	0.2
71.08627	2.9
72.04481	0.2
79.05479	0.4
81.07067	0.8
83.04981	0.3
83.08615	0.5
85.05270	0.3
85.10168	1.1
85.45910	0.1
91.05457	0.3
93.07027	0.5
94.07374	0.2
95.08595	0.8
97.10142	0.2
98.06061	0.6
105.06998	0.2
107.08566	0.3
109.10124	0.4
121.10220	0.3
131.08583	0.2
134.09644	0.1
134.99644	0.2
172.95239	0.4
190.96312	0.4
191.08569	0.6
219.08080	0.3
236.08125	0.2
251.10637	0.4
254.86948	0.2
265.12271	0.3
277.00839	0.2
282.27896	100.0
283.20468	0.3
283.28232	3.5
297.62881	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	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01871	1.6
55.05500	2.3
57.03433	0.8
57.07072	0.5
65.03937	0.5
65.06611	0.3
67.05512	1.8
69.03419	0.8
69.07086	0.7
70.00183	1.6
71.01357	0.7
71.04996	0.5
72.08138	0.5
72.82590	0.3
75.33026	0.3
78.33949	0.3
79.05497	2.1
81.03416	5.0
81.07055	2.2
83.04985	4.3
83.08602	0.5
88.65137	0.3
91.05489	1.8
93.07047	2.2
94.80157	0.3
95.04970	1.0
95.08610	2.2
95.74567	0.3
97.02921	0.9
97.06499	0.4
97.10227	0.4
105.07057	2.0
107.01334	0.8
107.04942	0.9
107.08589	1.4
109.02866	2.3
109.10160	0.8
111.04435	2.9
117.07040	0.6
119.08588	1.3
121.06502	0.6
121.10134	1.2
121.23225	0.3
123.11707	0.4
127.03920	4.5
129.05446	0.5
129.07016	0.4
131.05005	0.4
131.08568	1.0
133.10091	0.8
135.11658	1.4
136.06155	0.3
137.02344	100.0
137.03398	6.8
138.02673	1.5
142.40691	0.3
143.48157	0.3
145.06474	0.3
145.10130	1.5
149.09621	0.5
151.03915	0.3
153.12708	0.8
155.03416	0.4
155.08626	0.4
157.10152	0.4
159.11742	0.4
163.11194	1.3
165.06978	0.4
167.08607	0.4
169.10101	0.4
171.11716	0.4
173.09761	0.3
173.13184	0.4
181.12251	0.6
183.11659	0.4
194.07210	0.4
195.08095	0.6
197.13216	0.4
209.11734	0.4
212.90315	0.3
223.07587	0.6
223.09581	0.4
223.14931	0.5
227.12845	1.0
240.07961	0.6
241.16042	0.3
251.07001	0.6
265.19614	0.4
283.09598	1.4
283.15366	1.1
283.20352	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30917	0.4
55.05500	0.7
57.03433	0.4
59.04999	0.8
61.02925	1.4
70.89965	0.8
71.04991	3.2
79.05475	0.8
81.07053	4.7
87.08094	0.6
94.87741	0.4
96.29131	0.4
101.67192	0.4
110.03535	3.9
113.09646	1.1
124.26147	0.4
128.04572	2.3
135.03017	4.8
152.05673	100.0
153.04068	13.7
153.05942	0.7
166.07199	0.8
218.88333	0.3
228.76192	0.4
232.11972	0.8
250.12975	2.3
277.34201	0.4
282.15598	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	282.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.1
55.33601	0.4
56.05023	0.5
57.03432	0.4
59.77073	0.4
63.83781	0.4
67.05476	1.4
68.05016	0.7
69.07056	1.1
69.25033	4.1
70.06564	1.0
72.08125	0.5
79.05486	2.0
80.05008	2.5
81.03394	0.7
81.07044	2.7
82.06560	0.7
83.08620	0.6
84.04489	0.8
84.08138	1.0
85.02873	0.5
86.06042	1.3
87.04465	19.2
91.05451	1.2
93.07038	5.4
94.06557	0.5
95.04948	0.9
95.08590	2.1
96.08123	0.9
96.73329	0.4
97.92044	0.4
98.06048	2.0
98.09673	0.5
105.07008	0.6
107.08567	2.2
108.08102	2.9
109.08837	0.6
110.09692	2.0
116.07012	0.4
117.07004	0.4
119.08569	0.5
120.04500	0.7
120.94387	0.4
121.10128	1.3
122.09653	2.8
122.10411	0.5
123.10460	0.8
123.11747	0.6
124.07524	0.7
124.11211	1.0
135.11682	3.5
136.07568	0.9
136.11169	1.9
137.05919	0.5
150.12770	4.8
151.13469	0.9
152.14334	16.3
161.05923	0.9
163.11220	0.4
164.10757	0.5
166.05876	0.4
166.07228	1.9
166.08624	4.3
180.10193	0.8
181.10976	0.9
184.09688	1.0
184.13298	0.9
194.11774	3.5
196.13358	0.9
208.13322	5.5
209.14160	1.1
210.14949	0.7
213.09038	0.4
220.16853	0.4
236.16362	0.6
238.17998	100.0
239.18312	2.6
240.19518	1.2
282.20612	63.7
283.15491	0.4
283.20850	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
57.03429	1.2
69.03402	0.6
69.07070	3.4
69.56342	2.5
69.56769	1.2
70.06586	0.6
72.08131	0.8
79.05505	0.9
84.08130	0.9
86.09715	0.6
88.03983	2.0
91.05448	0.4
92.04990	1.1
94.04024	1.0
95.04962	0.4
97.06512	2.2
117.67815	0.4
119.03546	1.7
120.04461	9.9
120.08103	2.1
121.08438	2.3
123.07919	1.6
124.08269	1.1
131.04984	0.5
131.06844	0.5
134.09618	1.0
136.06181	100.0
137.04553	1.7
137.06511	1.8
147.04465	0.6
150.07741	9.8
163.04530	0.6
166.08638	0.9
167.08942	0.8
168.51947	0.5
176.09006	0.4
191.08604	0.9
201.07382	0.7
204.06621	0.6
219.07953	0.9
236.10709	0.5
250.12994	23.8
267.99954	0.9
282.10715	1.3
282.15591	36.0
282.22070	1.4
283.15866	0.8
284.03082	0.7
300.06226	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	282.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.3
55.05495	0.8
57.03415	0.3
58.19291	0.2
59.04988	0.7
61.02915	0.6
67.05504	0.3
69.51392	1.3
69.51818	0.8
70.02951	0.2
70.06580	0.4
71.04993	8.6
72.08134	0.3
79.05482	0.8
81.07057	3.4
84.08131	0.4
88.03987	2.5
91.05450	0.4
93.07023	0.7
98.20728	0.4
109.05119	1.0
110.03536	4.2
113.09637	4.3
119.08563	1.8
120.08083	0.3
128.04559	2.9
134.04605	0.7
135.03018	2.5
149.09644	0.3
151.06757	0.2
152.05669	100.0
153.04071	12.3
153.06015	1.0
154.02493	0.3
160.25301	0.2
166.07266	2.3
167.05634	0.8
232.11900	0.6
250.12961	0.5
282.15567	5.6
283.15375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03936	8.5
55.01871	5.3
55.05514	26.6
55.24282	3.6
57.03443	28.5
57.07078	6.1
58.38060	3.6
59.51552	4.5
65.03936	4.6
67.05502	93.8
67.56936	3.8
69.07060	19.1
71.04987	4.5
79.05492	100.0
80.13802	3.4
81.03401	15.2
81.07056	56.5
83.04981	27.8
83.08612	7.6
85.06537	5.4
89.54049	3.7
91.05479	72.4
93.07041	66.7
95.04972	23.8
95.08604	43.5
97.06513	5.9
97.10147	4.8
98.67726	4.2
105.07019	49.0
107.08593	25.4
109.06509	13.6
109.10146	7.6
117.06969	11.2
119.08584	27.6
121.10168	6.0
123.08085	10.9
129.06996	14.1
133.10144	9.5
139.11804	3.4
143.08508	11.2
145.10056	11.6
147.11668	37.1
150.97810	3.7
161.09590	9.1
161.13251	10.9
171.11658	24.3
189.12717	6.5
207.13879	7.2
229.07320	4.0
281.17654	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	281.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.3
53.03949	6.6
55.01875	9.5
55.05515	11.7
57.03432	8.5
65.03928	1.8
66.70106	1.1
67.05506	19.1
69.03429	28.5
69.07056	5.4
70.55453	4.0
71.01353	8.5
71.05009	2.1
72.53908	1.5
73.83515	1.1
74.59277	1.2
79.05493	55.7
81.03419	2.7
81.07050	23.8
83.04990	6.5
83.08633	2.3
84.08129	1.9
85.02909	12.6
85.06527	3.5
87.04457	3.9
91.05477	51.0
93.07043	100.0
95.04961	16.3
95.08601	16.7
97.02881	15.8
97.10155	1.8
99.08092	1.7
103.05453	4.3
105.04535	1.2
105.07032	49.2
106.07839	1.9
107.04964	1.9
107.08591	33.3
109.06518	4.9
109.10161	5.7
111.04456	2.1
111.08111	2.7
115.03927	11.5
115.05435	4.9
116.06246	2.8
117.07011	13.7
119.08583	45.5
120.04413	2.1
121.06494	4.9
121.10143	72.5
122.10458	1.5
123.08060	5.2
123.11755	1.4
128.06230	4.6
129.07008	17.2
130.07770	2.7
131.08572	31.1
133.10127	26.8
135.08067	6.2
135.11707	3.0
139.11191	1.5
141.06946	2.5
142.07787	5.4
143.08563	15.8
145.06499	2.8
145.10124	28.1
147.08054	9.4
147.11676	6.0
149.09621	24.7
152.06161	1.3
153.07043	1.9
154.07765	3.9
155.08546	8.5
156.09364	3.5
157.10123	13.1
158.86298	1.3
159.08041	2.5
159.11687	6.2
161.09671	4.2
161.13197	2.4
163.11211	3.6
165.06973	4.4
166.07764	1.8
167.08549	8.1
167.10657	2.7
168.09352	5.0
169.10129	23.1
170.10881	1.5
171.08099	2.2
171.11696	12.5
173.09624	5.3
173.13255	1.9
178.07771	2.5
179.08585	5.2
180.09361	3.5
181.10091	12.6
182.10895	8.4
183.11691	18.4
184.08910	1.9
184.12451	2.8
185.09636	3.9
185.13278	3.5
187.11212	3.1
189.12714	1.6
191.08713	2.7
192.09268	4.5
193.10127	13.5
195.11699	16.5
196.12460	2.0
197.09599	2.8
197.13264	19.7
199.11224	3.6
199.14868	2.3
205.10141	5.2
205.12006	1.3
206.10925	6.4
207.11676	15.7
207.13495	1.9
208.12495	2.3
209.13316	6.1
210.14130	2.3
211.11191	4.2
211.14827	4.7
219.11726	4.2
220.12480	5.9
221.13242	21.2
222.14006	2.7
223.14806	9.5
225.12715	3.1
233.13287	7.3
234.14084	4.0
235.14815	9.8
237.16368	12.4
239.14268	3.0
239.17899	7.7
248.15627	5.4
253.15947	2.0
253.19498	4.5
263.17960	25.5
277.86188	1.5
281.13892	3.8
281.19022	86.9
282.19324	1.9
299.06308	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65361	0.9
51.02364	1.9
51.95928	0.9
53.03937	6.4
55.01865	10.2
55.05508	18.8
57.03433	20.3
65.03932	3.0
66.74919	1.0
67.05500	46.3
69.03424	22.7
69.07064	9.9
70.25964	2.1
70.26377	3.4
71.01361	5.4
71.04983	2.0
75.04395	1.1
79.05489	71.8
80.52642	0.9
81.03409	6.4
81.06583	2.1
81.07053	39.3
82.50206	1.0
83.04538	1.6
83.04983	15.0
83.08620	6.1
85.02895	9.2
85.06534	2.1
87.04456	2.8
91.05476	51.6
93.07037	100.0
94.07344	1.6
95.04952	23.1
95.08599	23.8
97.02882	12.0
97.06524	4.8
97.10162	3.1
103.05444	2.0
105.07027	36.5
107.04942	3.9
107.08589	28.5
109.06525	6.0
109.10133	3.8
111.08077	3.0
115.03920	6.7
115.05408	1.7
117.07013	6.5
119.08575	24.5
120.04443	3.0
121.06482	2.4
121.10136	49.0
123.08079	6.3
123.11684	1.3
128.06190	3.1
129.06332	0.9
129.07021	11.1
131.08548	10.7
133.06439	1.4
133.10117	8.6
135.08087	2.3
135.11684	1.6
143.08549	5.5
145.10124	8.1
147.08044	2.3
147.11678	16.6
149.09605	17.5
153.09122	1.0
159.11696	2.8
161.09610	3.5
161.13220	7.9
163.11110	2.5
171.11676	13.7
181.10071	1.6
189.12695	6.1
207.13782	4.4
225.76474	1.2
263.17938	3.3
281.13806	3.6
281.17508	10.2
299.06256	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.0
55.01877	9.8
55.05513	31.2
57.03439	27.3
58.47802	1.5
65.03934	5.8
67.05507	79.0
69.03434	14.0
69.07059	13.9
69.59481	4.1
69.59890	7.6
71.01369	3.8
71.04971	2.1
73.68917	1.8
79.05492	100.0
81.03413	13.8
81.07053	58.3
83.04972	30.2
83.08617	6.4
85.02908	7.6
85.06554	4.1
91.05480	73.3
93.07043	95.1
95.04963	29.5
95.08603	35.6
95.09173	3.2
97.02895	9.5
97.06537	6.1
97.10176	5.1
105.04508	2.0
105.07029	48.8
107.04966	8.6
107.08600	30.8
109.06513	8.9
109.10159	4.8
109.55734	1.7
111.08092	3.2
115.03940	4.5
115.05447	2.3
117.06972	9.3
119.08587	30.4
121.06506	3.9
121.10135	27.9
123.08069	7.0
127.07582	2.2
128.06200	2.1
129.07019	17.0
131.08559	4.8
133.10129	13.9
135.11691	2.2
143.08568	7.3
145.10159	10.1
147.11687	34.8
148.12007	1.6
149.09634	7.9
161.09595	3.6
161.13206	13.7
171.11664	24.4
189.12657	7.8
207.13695	8.2
232.72301	1.7
281.14117	2.8
281.17395	18.5
291.93253	2.0
301.73233	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.0
53.03947	5.6
55.01871	7.5
55.05510	25.0
56.96553	1.9
57.03437	21.9
57.07066	2.2
59.04991	0.9
65.03954	4.8
67.05503	58.3
69.03430	22.5
69.07066	13.3
71.01353	6.8
71.04985	3.7
71.58219	1.3
72.08146	1.9
73.02917	1.1
73.06577	0.9
75.04461	0.9
77.03913	1.3
79.05491	84.5
79.08866	0.9
80.05818	1.0
81.03417	8.3
81.07055	53.9
83.04981	25.3
83.08601	5.2
85.02911	13.6
85.06527	3.5
87.04482	1.7
91.05476	62.8
93.03381	0.9
93.07043	100.0
93.64425	1.0
94.07359	2.2
95.04969	25.0
95.08605	32.0
97.02895	11.4
97.06514	4.1
97.07590	1.0
97.10152	4.2
99.04460	1.0
103.05468	2.2
105.04517	2.1
105.07030	48.2
105.23456	0.8
107.04953	6.4
107.08593	34.0
109.06503	8.3
109.10155	7.8
111.04440	3.3
111.08053	2.2
113.86913	0.9
115.03906	5.0
115.05459	3.0
116.06192	1.7
117.07021	13.4
119.08581	39.0
120.04494	1.0
121.06494	4.2
121.10137	39.9
123.08079	6.9
123.11703	2.4
125.09658	1.3
128.06206	5.5
129.05542	1.9
129.07005	21.0
130.07826	2.9
131.08583	16.5
133.06483	1.1
133.10138	18.5
135.08066	8.4
135.11665	2.4
137.13245	1.1
141.06985	2.8
141.09079	1.1
141.59383	1.2
142.07767	2.9
143.08563	13.3
145.06494	1.7
145.09050	1.5
145.10126	20.9
147.08052	3.6
147.11682	24.1
149.09615	12.4
151.14851	0.9
153.07053	1.8
153.09004	1.8
154.07790	1.6
155.08549	5.7
156.09370	1.8
157.10132	10.3
159.11707	3.3
161.09586	6.4
161.13222	7.8
163.11198	1.9
165.06978	1.7
167.08597	4.5
167.10722	1.3
168.09309	2.1
169.10150	11.5
171.11693	16.5
179.08501	3.8
181.10139	7.7
181.44920	1.0
182.10902	3.0
183.11702	9.0
185.09540	1.4
185.13161	1.2
187.11110	1.7
189.12759	6.3
191.08540	1.6
192.09398	1.7
193.10094	5.9
195.11693	5.7
196.12408	1.2
197.13239	6.9
198.13809	1.2
199.11169	1.4
199.14708	1.2
205.10124	2.6
206.10902	2.9
207.11673	7.1
207.13795	4.3
208.12468	1.2
209.13277	2.6
211.11174	1.3
211.14677	1.7
219.11667	1.6
220.12357	2.2
221.13254	7.3
223.14801	4.7
225.12772	1.4
233.13211	2.5
235.14836	3.8
237.16377	6.1
239.14293	1.1
239.17976	3.0
248.15683	2.6
253.19496	2.0
263.17984	9.8
266.99759	1.4
281.13968	1.5
281.19336	33.8
283.03046	1.8
299.06198	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.1
53.03955	7.3
55.01862	6.5
55.05264	2.5
55.05511	35.8
56.96557	3.0
57.03436	32.3
57.07065	1.6
65.03927	2.9
67.05504	81.8
69.03432	8.0
69.07066	15.9
69.86745	9.5
71.04978	4.9
72.08158	14.3
79.05491	100.0
80.04998	2.1
81.03413	10.4
81.07054	60.5
83.04982	29.2
83.08625	9.4
85.02895	2.8
85.06525	2.6
91.05476	66.5
93.07040	78.2
95.04967	30.2
95.08604	39.2
97.02882	5.3
97.06519	6.0
97.10159	6.4
99.08110	1.6
103.05464	1.5
105.04475	1.7
105.07024	50.1
107.04945	6.8
107.08592	20.8
109.06519	7.5
109.10168	8.3
111.08051	1.7
115.05431	1.8
116.98596	1.8
117.07011	13.0
119.08575	35.0
119.09367	2.9
121.06547	3.8
121.10142	12.5
122.09663	3.1
123.08097	7.5
123.11655	1.8
128.06227	3.9
129.06992	20.4
131.08549	3.3
133.10114	11.4
134.09668	2.5
134.67999	1.6
135.08073	2.4
135.11682	3.0
143.08536	9.6
145.10107	9.6
147.08047	3.2
147.11690	33.3
149.09601	3.4
149.13074	1.6
161.09604	6.1
161.13231	14.3
163.11118	2.0
171.11673	26.5
189.12762	8.9
192.13893	2.2
207.13823	9.1
210.14853	1.9
219.53568	1.7
239.29201	1.8
254.11108	1.5
263.09195	1.6
264.19586	6.6
266.99927	2.1
281.17313	18.2
281.22287	5.2
299.06125	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.3
55.01857	3.9
55.05506	26.5
57.03436	21.0
57.07079	2.2
65.03928	4.8
67.05499	64.4
69.03429	9.2
69.07067	10.8
69.85153	10.2
71.01338	1.6
71.04987	2.4
73.06548	2.2
79.05491	82.0
81.03403	9.1
81.06578	3.5
81.07050	54.3
83.04971	28.1
83.08609	6.3
85.02882	5.7
91.04899	2.4
91.05477	56.1
93.07037	100.0
95.04967	25.4
95.08601	32.2
97.02880	6.3
97.06508	5.7
97.10162	4.3
103.05508	2.0
105.07030	45.8
107.04950	7.8
107.08588	31.5
109.06506	6.5
109.10140	7.3
111.04429	1.9
115.05457	1.9
116.06303	1.9
117.07014	8.9
119.06030	1.8
119.08576	24.5
120.04491	3.7
121.06474	5.0
121.09317	2.8
121.10137	35.0
123.08042	5.5
127.07494	2.6
128.06184	4.1
129.06999	15.5
131.08563	9.5
133.10135	10.9
135.08041	8.0
143.08531	10.4
145.10127	7.6
147.08092	2.7
147.11671	24.6
149.09644	12.7
153.09042	2.2
155.08591	1.9
161.09575	4.1
161.13260	10.2
171.11687	17.4
185.85793	1.9
189.12737	6.9
196.81532	2.0
207.13795	6.4
281.14008	3.3
281.17105	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	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.1
55.01883	8.4
55.05511	31.5
57.03436	26.3
65.03925	4.5
66.12231	1.6
67.05502	80.4
67.34374	1.8
69.03420	7.2
69.07067	14.8
69.54594	13.2
71.04990	2.7
73.06539	2.5
78.06411	1.5
79.05490	100.0
81.03408	15.0
81.07053	57.4
83.04971	33.0
83.08633	8.7
85.02879	3.5
85.06549	1.8
91.04905	3.0
91.05476	72.9
93.07039	94.3
95.04959	30.0
95.08602	35.3
97.02289	1.6
97.02896	6.4
97.06529	5.2
97.10172	5.1
103.05430	1.9
105.04497	2.1
105.07028	46.1
107.04960	7.5
107.08588	28.8
109.06513	6.8
109.10164	5.8
115.05426	1.9
117.07037	9.0
119.08584	30.1
121.06510	2.7
121.10142	27.4
123.08061	5.6
128.06212	2.4
129.07010	16.9
131.08568	4.9
133.06468	1.7
133.10143	9.6
135.08072	4.0
135.11768	2.1
141.08844	1.6
143.08549	7.5
145.10141	8.0
147.08034	3.5
147.11679	25.5
149.09648	7.5
159.11726	2.1
161.09615	4.9
161.13258	13.6
167.10629	2.0
171.11707	22.7
179.14282	1.9
180.99635	1.7
189.12708	7.5
207.12138	1.7
207.13745	9.9
212.37743	1.7
253.46252	1.7
255.46033	1.6
281.17410	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.4
55.01869	6.1
55.05515	31.7
57.03438	31.7
59.64567	1.2
65.03931	5.2
67.05507	84.5
69.03436	11.1
69.07069	14.3
71.01341	1.6
71.04994	3.4
73.06575	1.1
77.03914	1.5
79.05496	100.0
81.03419	10.6
81.07062	58.3
81.07493	1.2
83.04986	31.1
83.08612	7.8
85.02913	3.5
85.06538	4.8
91.04893	2.0
91.05482	65.7
93.07047	99.2
94.07384	1.9
95.04976	33.3
95.08619	37.6
95.09245	1.9
97.02879	6.4
97.06540	5.6
97.10189	6.3
99.08124	2.0
102.54276	1.3
103.05495	1.8
105.04517	2.2
105.07033	48.4
107.04967	5.3
107.08603	26.9
109.06535	7.6
109.10138	6.5
115.03954	3.0
115.05473	2.7
117.07014	11.2
119.08582	30.9
120.04495	2.7
121.06491	4.2
121.10144	33.1
123.08068	8.1
128.06203	2.5
129.07008	14.8
131.08571	8.7
133.10152	12.6
135.08012	6.5
135.11716	1.6
143.08569	6.7
145.08589	1.3
145.09119	1.5
145.10127	10.9
147.08002	2.7
147.11697	30.2
149.09604	12.9
161.09676	5.8
161.13266	11.3
163.11201	1.7
171.11716	20.1
189.12732	5.7
189.41647	1.5
207.13873	8.5
212.57489	1.6
227.64020	1.4
257.43869	1.2
281.14172	3.0
281.17386	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73066	1.2
51.96026	1.3
53.35263	1.3
55.05497	6.3
56.96558	1.4
61.43400	1.3
62.06053	1.4
67.05485	2.8
67.61090	1.6
68.04993	1.8
69.03434	1.8
70.02941	2.3
70.06593	6.8
71.58171	2.4
72.08154	100.0
73.04720	2.1
73.08481	1.9
74.02425	2.6
79.05489	3.7
81.04543	3.0
81.07063	3.4
84.04517	4.6
84.08143	6.3
86.09706	2.5
88.03983	7.7
88.07629	16.1
89.10790	26.9
91.05469	6.7
91.05875	2.5
91.06293	1.3
93.07040	4.5
95.04976	1.3
95.08614	2.7
97.02879	1.5
97.06486	1.9
98.06058	8.7
103.05466	3.5
105.03384	4.7
105.07069	1.6
107.04969	10.0
107.08605	2.8
108.05288	3.5
111.04465	1.6
115.05458	5.4
115.08685	3.4
117.06999	2.0
119.04967	3.0
119.08595	2.6
120.08102	18.0
121.02834	2.2
121.06441	1.9
122.03603	1.3
122.07160	2.5
123.04404	2.7
123.07967	7.9
125.05997	2.1
127.03918	1.8
129.07059	2.5
130.06554	1.4
130.08611	6.7
131.04941	3.8
131.08553	2.6
133.02850	33.2
133.06496	3.6
133.10062	1.5
134.99669	1.6
135.04456	1.7
136.06197	3.4
136.07614	2.0
137.05963	12.7
143.04912	1.8
144.05704	3.8
145.02805	3.0
145.06505	5.4
147.04448	5.0
149.05972	3.9
150.03084	2.9
151.03899	8.9
152.05832	1.5
152.07051	3.4
157.06458	3.9
159.04399	1.6
161.02339	26.6
161.05975	2.3
161.10817	1.6
162.11488	1.9
163.03923	5.1
165.05530	11.2
165.07729	5.1
166.08646	7.5
167.07095	2.1
170.03796	1.7
173.05949	3.0
175.03847	2.6
175.07518	3.4
177.05504	5.1
178.02599	1.6
184.08717	1.6
185.05847	1.4
186.11745	1.4
187.07536	4.4
192.06496	2.2
193.04959	50.9
194.05209	1.7
201.05504	5.0
203.07014	8.8
205.08611	2.3
206.11748	3.8
213.05515	1.5
214.10968	2.8
216.57959	1.6
218.09433	2.3
219.06499	7.3
222.13925	4.3
235.10707	5.0
245.12851	2.1
246.11288	1.5
249.12221	2.3
263.09335	2.3
263.14087	5.2
264.12332	15.8
264.15955	2.2
266.99835	8.0
281.10806	14.2
281.14957	36.4
281.18695	9.3
282.15195	1.9
283.03040	6.3
285.00690	2.1
299.06198	21.4
300.06299	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01873	10.5
55.05508	8.6
56.96533	0.7
57.03434	9.9
57.36200	0.7
59.05002	1.2
67.05505	15.8
69.03428	23.7
69.07057	3.7
69.72590	5.4
71.01351	9.7
71.04992	1.6
75.04443	0.9
79.05492	46.9
81.03419	2.6
81.07059	14.9
83.04983	7.2
83.08612	1.8
85.02906	9.7
85.06555	0.9
87.04486	3.5
91.04896	1.0
91.05477	34.6
93.07040	100.0
95.04971	14.9
95.08604	9.8
97.02889	13.2
97.06544	1.5
97.07593	0.8
97.10154	0.9
103.05456	1.4
105.04517	1.7
105.07033	20.3
107.04933	2.1
107.08592	20.3
109.06523	2.9
109.10138	1.5
111.04436	1.8
111.08105	2.1
114.09174	0.8
115.03917	9.8
115.05437	1.2
116.06277	1.0
117.07001	3.2
119.08570	15.1
121.06491	3.3
121.10143	55.0
123.08072	3.2
128.06209	1.4
129.07014	5.9
131.08551	9.7
133.10103	4.0
135.08046	1.6
139.11243	1.0
143.08551	2.3
145.06509	0.9
145.10112	5.2
147.08014	1.4
147.11702	4.3
149.09622	18.5
151.88783	0.8
155.08585	1.1
157.10159	1.0
159.11749	0.7
161.09607	1.5
161.13239	1.1
167.10658	1.9
169.10182	1.5
171.11711	4.8
182.58629	0.8
183.11739	1.4
189.12682	0.9
193.10139	0.8
197.13225	1.7
207.13914	1.0
221.13303	1.5
239.18155	0.8
263.17914	1.6
281.13870	3.6
281.19379	7.0
299.06174	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.113
Annotation	Asp-Phe
Peak:m/z	Relative Intensity
53.90979	0.7
54.53900	0.6
62.95888	0.6
70.02947	3.6
70.06561	0.7
71.56669	1.4
72.08137	1.1
79.05479	1.4
83.91228	0.6
84.04504	1.0
84.08158	1.1
88.03994	27.0
91.05462	16.3
93.07021	1.3
99.96527	0.6
103.05457	8.6
107.04970	3.3
119.07374	0.8
120.08105	100.0
121.08497	0.7
121.31680	0.6
123.08080	0.6
123.94625	0.6
129.07013	1.3
130.06505	6.3
131.04883	4.3
144.08090	2.1
145.06468	0.8
149.06027	1.5
154.06598	0.7
157.06488	1.6
166.08643	34.1
172.07516	4.6
175.08672	12.4
177.36859	0.8
182.05983	3.4
190.08649	1.8
193.42252	0.6
200.07059	16.8
217.09709	2.1
218.08006	1.2
220.30937	0.7
221.09200	6.8
229.86574	0.6
235.10774	11.4
245.09248	1.2
246.07562	6.6
263.10297	1.4
267.00015	2.1
281.11273	1.9
283.03104	1.6
299.06158	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1133
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
52.33879	0.4
53.03944	0.5
54.12857	0.3
55.01878	0.4
55.05511	7.0
56.05038	0.9
56.96560	0.8
57.03462	0.4
57.05811	0.5
57.07065	0.4
60.04512	0.4
66.52084	0.4
67.05502	0.6
69.03414	0.8
69.07079	0.7
70.02950	0.7
70.06584	1.5
70.18622	1.6
72.08157	52.8
73.02914	0.4
73.04743	0.6
78.05237	0.3
81.03407	0.8
81.07075	0.6
84.04507	2.0
84.08154	2.3
85.02903	0.9
86.02436	0.9
86.09689	0.5
87.04476	0.4
87.05614	0.4
87.46596	0.4
88.03987	3.5
91.05413	5.1
93.07034	2.4
95.04995	0.7
95.08603	0.5
97.02896	0.4
98.97609	0.5
99.05580	0.7
100.03992	0.7
103.05463	8.1
105.07021	0.5
107.04954	1.2
109.02869	0.3
117.03316	0.3
117.06631	0.5
118.06599	0.5
119.04958	3.3
119.07273	0.3
119.08552	0.4
120.08106	100.0
121.02863	0.3
121.06518	0.4
121.08457	0.9
122.06057	0.5
123.04461	1.5
128.03435	0.6
128.56097	0.4
129.10239	0.5
130.05006	0.4
130.06529	1.2
131.04959	0.9
133.02832	0.4
134.04495	0.7
134.05940	0.5
134.99657	0.6
136.06206	1.0
136.07585	13.6
137.05925	0.4
145.02879	0.9
145.06061	4.3
146.03203	0.7
146.99632	0.4
147.04391	1.0
150.07755	2.5
150.96802	0.4
157.06488	0.5
157.18781	0.4
162.04085	0.3
165.05478	2.6
165.06657	0.5
166.08629	5.2
172.07582	0.8
175.08688	2.0
177.00705	0.6
177.05373	0.8
178.05785	1.1
182.05920	0.4
182.06517	0.5
182.08122	5.9
190.08662	0.5
194.04411	0.5
195.01541	0.4
200.04410	0.4
200.07108	2.4
217.09859	0.5
221.09160	1.1
235.10754	1.6
235.14418	0.4
246.07565	0.9
263.10336	0.6
266.99826	2.4
281.11087	2.4
281.14865	1.7
283.02911	2.0
299.06183	6.9
300.06314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.1
56.96564	0.3
57.03439	0.2
57.07066	0.3
67.02994	0.2
67.05505	0.4
69.03432	0.2
69.07069	0.3
70.06580	0.5
71.57453	0.3
71.57827	0.2
72.08153	2.2
73.04762	0.3
74.06089	1.7
76.25751	0.2
77.05990	0.2
79.05489	0.4
81.03413	0.2
81.07053	0.4
84.04510	0.4
84.08152	0.5
85.02908	0.2
86.09715	0.3
88.03972	0.3
89.03947	0.2
89.10780	0.4
91.05433	0.5
91.05894	0.3
92.02489	0.2
93.07027	0.3
94.04035	0.4
95.08604	0.4
98.97597	0.3
102.05529	0.9
105.07030	0.3
107.04941	0.5
115.08656	0.2
117.03399	0.2
118.03696	0.2
119.03542	5.4
119.08586	0.5
120.03841	0.2
120.06586	5.1
120.07995	1.0
123.07989	0.2
129.10162	0.2
131.04973	0.3
133.02855	0.9
134.99637	0.2
136.06181	100.0
137.04590	4.1
137.06537	0.7
145.02771	0.2
146.03157	0.3
147.04427	0.2
147.09193	0.4
149.05983	0.2
150.06364	0.2
162.04106	52.4
163.04428	0.7
165.05536	0.4
177.05518	0.5
178.05806	0.3
193.05020	1.0
247.54529	0.2
263.09146	0.3
264.12146	0.3
266.99875	0.6
281.09915	5.9
281.14615	1.0
283.03043	0.8
299.06110	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03144	0.2
54.03465	2.2
54.14944	0.3
55.04250	2.9
69.07061	0.3
70.02941	0.5
71.31678	0.6
72.05128	0.3
72.08141	0.6
79.96539	0.3
81.04536	13.8
81.07020	0.4
82.04851	0.6
82.05318	8.9
84.08118	0.4
88.03985	0.4
91.05878	0.3
93.07041	0.3
95.08599	0.4
108.05601	1.2
110.07146	0.7
120.08094	1.0
122.07147	21.2
123.07926	100.0
124.08289	0.9
136.06177	2.1
136.07516	0.3
160.04263	1.2
165.07722	6.4
175.08733	0.3
184.60315	0.3
266.99948	1.2
281.10660	70.3
282.11002	1.5
283.03122	0.7
299.06183	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1292
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
56.05027	9.5
56.96557	8.1
57.07055	5.7
57.86223	3.4
59.03445	3.4
61.01147	4.1
67.05496	4.2
69.03442	3.8
69.29861	37.3
70.02944	13.0
70.06605	19.0
72.08141	14.9
77.67258	3.0
79.05488	4.2
81.03400	6.4
81.04542	7.3
82.05315	6.5
84.04521	6.7
84.08152	31.5
85.02923	5.4
86.09695	8.6
87.05593	45.5
88.03987	7.8
91.05468	94.2
93.07029	4.3
98.02431	4.4
98.20807	7.8
103.05473	33.8
107.04971	14.3
110.09676	4.3
116.07075	4.1
116.98618	3.5
117.03365	12.5
119.04932	7.6
120.08103	91.6
120.60459	4.0
122.03241	3.5
122.07182	8.3
123.04430	4.3
123.07929	50.5
129.07022	6.4
130.06538	17.4
131.04919	14.8
137.05998	5.0
144.08119	4.1
145.02847	24.8
147.04410	12.5
147.09157	8.5
147.69756	4.1
149.02309	21.8
149.06012	7.4
150.02690	20.4
154.06480	4.1
157.06424	10.4
165.07686	5.8
166.08640	23.7
172.07596	23.8
175.08669	63.9
177.05486	45.0
182.05975	31.2
193.04324	14.3
200.07083	100.0
203.08163	3.8
215.86555	3.3
217.09845	5.6
219.05455	3.8
221.09203	48.4
228.06348	5.6
229.19516	3.7
234.12364	11.8
245.09174	12.0
246.07640	49.2
249.09172	6.8
263.10236	14.0
266.99927	9.7
280.15524	8.5
281.10718	34.0
283.02991	7.9
299.06308	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	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.67694	1.0
55.05513	7.0
57.07074	2.3
65.03927	1.8
67.05502	93.1
68.78450	1.0
69.07064	7.1
69.40456	9.9
69.40874	1.8
79.05486	10.3
81.07052	100.0
83.04949	1.2
83.08618	4.7
91.05492	2.9
93.07040	8.4
95.08603	71.0
96.08908	1.6
97.10139	1.5
98.20769	2.4
105.07018	1.7
107.08571	5.7
109.10147	40.1
114.17615	0.9
117.06907	1.2
119.08546	2.0
121.10139	4.4
123.08039	1.6
123.11703	29.5
126.40269	1.1
133.10117	2.4
135.11687	5.5
137.13266	9.2
145.10117	1.3
147.11668	2.3
149.02348	3.3
149.13248	1.5
151.14786	2.0
159.11676	2.4
161.13271	1.2
163.14801	2.6
173.13264	3.0
181.12088	1.4
187.14799	2.8
195.13664	1.9
209.15385	2.2
223.16937	2.9
261.22144	3.2
264.64490	1.0
279.23138	30.3
280.23593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05505	3.7
56.05835	1.9
58.99572	2.5
68.88909	0.6
69.24471	1.8
69.24890	4.6
70.06595	1.3
72.08145	2.0
73.15937	0.5
76.02231	0.7
77.33782	0.5
78.04691	0.7
79.95436	0.6
83.08619	2.8
84.08154	0.9
84.08945	2.1
86.06047	1.1
86.09676	0.6
86.99036	1.0
89.03910	11.6
91.05467	1.6
98.97574	0.5
106.04141	0.7
116.01666	4.9
117.02004	2.7
117.03374	32.0
118.03701	0.6
119.04941	1.6
127.75851	0.6
134.03625	2.4
135.04411	2.4
137.06009	0.8
137.76158	0.5
144.01111	2.8
145.02840	64.6
147.04379	3.6
147.08093	0.5
149.02396	1.4
149.04854	1.2
149.05971	10.8
150.02678	1.0
150.07755	1.9
160.08711	0.9
162.02191	7.3
163.02570	7.1
163.03897	0.9
166.07236	1.6
177.05466	100.0
178.05794	1.5
186.05470	0.9
256.01038	0.8
263.11343	1.7
280.17715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03959	0.9
55.05506	7.3
57.07068	1.8
65.03940	2.9
67.05504	96.6
69.07063	8.8
69.75609	2.0
69.76022	2.1
74.78134	0.6
76.49744	0.6
79.05488	13.5
79.05904	1.2
81.07055	100.0
82.07394	1.3
83.05074	0.7
83.08624	5.2
85.06538	1.4
91.05466	3.8
93.07047	11.2
95.04974	0.7
95.08606	74.4
96.08948	1.3
97.06520	1.9
97.10165	2.0
97.34488	0.7
105.07022	2.5
107.08582	8.9
109.06541	1.4
109.10154	27.4
117.07029	1.6
119.08583	2.1
119.86549	0.6
121.10133	7.1
123.08053	2.0
123.11709	15.3
127.07540	0.7
129.09091	0.6
131.08566	4.9
133.10100	2.3
135.08037	1.0
135.11678	6.2
137.09605	1.1
137.13251	11.6
145.10109	2.9
147.11688	2.0
149.02335	1.8
149.09604	2.0
149.13287	2.9
151.05014	0.7
151.14854	4.1
159.11716	3.3
161.13286	1.3
163.11237	1.9
163.14833	2.4
165.16379	1.1
167.10669	1.0
173.13249	5.3
177.12712	2.0
177.16280	0.8
181.12231	1.0
187.14818	2.6
191.14282	1.4
195.13785	3.2
208.09369	0.7
209.15395	3.0
219.20929	1.2
223.16922	1.7
243.21112	1.6
261.22104	2.9
279.23187	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	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03942	1.0
54.06444	0.7
55.01855	1.1
55.05509	10.4
57.03423	1.9
57.07082	4.0
60.95847	1.0
65.03930	3.3
67.05502	100.0
68.05809	0.9
69.03421	0.9
69.07058	9.6
70.85000	2.6
71.04976	1.3
75.49625	0.8
77.64829	0.8
79.05071	1.3
79.05490	16.8
81.07051	99.3
82.07365	1.6
83.04968	1.7
83.08612	5.5
84.53033	0.8
85.06514	1.1
86.09721	1.0
91.05473	5.8
93.07040	15.3
95.04974	1.3
95.08601	83.9
97.06541	2.0
97.10149	3.3
105.06996	3.8
107.08591	10.6
109.10154	45.1
110.10445	1.0
117.06989	1.1
119.08564	4.7
121.02844	1.6
121.06457	1.2
121.10139	7.7
122.10625	0.8
123.08063	1.9
123.10815	1.8
123.11694	23.6
125.09631	1.1
131.08566	4.5
133.10118	2.9
135.08038	1.8
135.11688	5.2
137.09576	1.1
137.13242	7.1
139.19098	0.8
145.10120	3.0
147.11697	2.2
149.01152	1.6
149.02313	18.9
149.09619	1.7
149.13303	3.7
151.14851	2.1
153.00500	1.9
153.09140	0.8
157.53949	0.9
158.03236	2.0
159.11659	2.0
161.13289	1.9
163.11166	1.2
163.14774	2.6
165.12730	1.4
165.16457	1.4
171.11601	1.1
173.13234	3.2
175.14691	1.1
177.12718	2.0
177.16386	1.2
181.12250	1.6
183.13875	1.0
187.14810	2.7
191.14299	1.0
195.13805	2.2
209.15390	3.0
223.16917	2.5
243.20984	2.6
261.22134	3.5
264.42224	1.0
279.09399	1.3
279.19885	2.0
279.23169	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	279.1809
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
57.07075	1.0
60.05648	5.8
64.77219	0.6
70.00072	3.9
70.06593	1.5
72.07751	1.3
72.08152	25.8
73.08475	7.3
89.10793	1.8
90.11143	1.4
91.05479	7.7
92.05824	5.6
93.06119	1.8
97.07649	5.3
98.06020	0.8
98.07951	0.8
100.06551	0.8
107.04946	27.5
114.10289	34.1
115.08707	4.6
115.09967	1.8
115.10638	16.8
116.09020	2.2
116.10266	1.0
116.10963	2.2
117.09124	0.9
119.04930	14.8
120.05273	18.3
121.05529	11.6
121.06532	1.4
128.08824	0.8
131.12935	5.0
132.13263	2.0
145.80875	0.7
146.22618	0.8
147.04407	30.2
148.04738	92.3
149.02470	4.5
149.04962	100.0
217.13374	1.2
218.13612	1.7
219.11984	1.5
219.14674	5.2
220.13162	13.3
237.15007	1.5
262.14545	19.7
279.17197	83.5
280.17285	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03949	2.0
55.05512	10.7
57.03440	1.8
57.07075	3.3
60.21974	0.6
65.03951	2.7
67.05504	100.0
68.05849	1.0
69.07066	9.1
69.07413	0.8
71.05003	0.9
71.08618	0.6
79.05489	14.0
80.18783	0.6
81.07056	97.0
82.07408	1.0
83.04999	1.0
83.08611	6.0
85.06544	1.8
91.05467	5.8
93.07045	14.3
95.04971	1.2
95.08605	80.1
96.08959	0.7
97.06524	1.7
97.10175	3.4
98.04301	0.5
98.20712	1.4
99.08070	0.8
105.07036	3.9
107.08590	9.2
109.06522	1.3
109.10156	42.9
111.08087	0.8
117.07027	2.1
119.08574	4.0
121.02906	0.7
121.10142	7.5
123.08076	1.3
123.11713	24.2
125.09574	0.8
127.07587	1.0
131.08549	4.3
133.10161	2.8
135.08080	1.1
135.11699	4.3
137.09604	1.8
137.13254	7.8
141.09053	0.7
145.10118	3.7
147.11697	2.3
149.02339	8.9
149.09669	1.9
149.13309	2.9
151.11191	1.2
151.14821	2.4
153.09001	0.8
159.11707	2.2
161.13307	1.8
163.11221	2.4
163.14847	1.7
167.10706	0.8
168.97676	0.5
173.09917	0.6
173.13293	3.0
177.12772	1.5
177.16486	0.8
181.12202	1.5
187.14809	2.2
191.14282	1.0
195.13834	1.7
206.08566	0.6
209.15359	1.9
219.17442	0.7
219.20934	0.7
223.16974	2.4
237.18414	1.2
243.21135	2.4
261.22107	2.9
279.09372	0.8
279.19925	1.4
279.23196	26.1
280.26334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1742
Annotation	Asperenone
Peak:m/z	Relative Intensity
55.05510	18.3
57.07061	9.0
67.05502	56.0
69.07072	13.7
69.97899	2.0
71.59269	4.6
72.81407	1.9
79.05482	14.5
81.07055	49.4
82.88886	2.6
83.08612	8.3
85.06533	2.5
91.05471	8.5
93.07017	16.2
95.04972	7.0
95.08605	54.6
97.06522	2.4
97.10141	11.0
99.46764	2.1
101.45698	2.3
105.07015	8.4
107.08578	8.1
109.10162	33.3
115.05465	6.1
117.06991	3.6
119.08569	9.5
121.06430	2.8
121.10145	19.0
123.11741	12.0
128.06216	5.9
129.07010	11.9
131.08514	7.1
133.06451	2.6
133.10129	5.5
135.11699	4.1
137.13258	4.4
141.06978	11.3
143.04927	26.0
143.05984	4.0
143.08528	13.2
145.10097	6.7
147.11687	4.0
149.02341	47.4
149.13338	2.3
152.02235	2.4
152.06183	3.3
153.07001	10.8
154.07806	4.1
155.08533	24.5
157.10129	6.5
159.08084	3.2
159.11615	2.6
165.06964	13.5
166.07788	13.9
167.03416	2.7
167.08554	23.1
168.09303	2.5
169.06456	8.2
169.10126	10.9
171.08009	12.3
173.13277	2.7
179.08524	5.5
180.09302	6.6
181.10126	34.1
182.10690	2.9
183.08055	80.5
183.11624	6.7
185.09628	8.7
191.08504	5.6
193.10124	10.6
194.07332	2.4
194.10913	3.0
195.08070	33.7
195.11693	22.9
197.09584	5.7
204.09285	3.6
205.10162	3.6
206.10858	2.6
207.11653	5.4
209.09599	67.5
209.13257	10.3
210.09972	3.5
211.11227	3.0
218.10811	3.5
219.11671	8.1
221.13255	7.4
222.14023	2.7
223.11247	12.1
223.14787	3.8
231.11702	6.8
232.12466	4.5
233.13277	3.8
235.14789	14.5
236.15036	2.5
237.12752	7.8
237.16402	22.1
246.13928	4.0
251.17996	11.5
261.16351	20.1
279.17429	100.0
279.23157	8.8
279.27975	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	279.1704
Annotation	Leu Phe
Peak:m/z	Relative Intensity
51.10966	0.5
53.03962	0.6
55.05498	0.5
55.50233	0.4
57.07065	1.8
67.05519	0.7
69.07051	0.6
70.34468	2.3
84.99828	0.5
86.09707	100.0
87.10033	1.2
91.05476	1.5
93.07043	1.5
95.08615	0.6
103.05446	2.9
105.07064	1.6
117.07017	0.7
119.08536	1.2
120.08108	42.0
132.10223	0.6
143.08502	0.6
145.10161	0.8
149.02345	7.3
166.08650	8.6
219.08223	0.6
233.16475	1.4
259.98105	0.5
279.17230	3.4
279.20822	1.7
280.19070	0.7
294.43481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
56.05041	0.5
56.85980	0.4
57.05808	0.5
57.07069	1.1
58.06610	0.5
65.03941	0.6
65.87464	0.3
67.05502	1.0
69.07070	11.5
69.25351	3.9
69.25758	0.7
70.06609	0.6
72.08131	0.8
74.69814	0.4
79.05490	0.7
81.07037	0.8
84.08135	0.6
86.09707	100.0
87.10016	0.7
87.16383	0.4
91.05457	1.9
93.07054	1.0
95.08607	1.7
98.21138	2.1
105.07037	1.1
107.04939	0.4
119.04976	1.2
119.08556	0.8
120.08111	9.0
121.02862	1.0
129.06963	0.5
131.08606	0.4
134.08118	0.7
136.06189	2.4
139.03946	0.7
147.04420	4.2
147.08069	0.4
149.01244	0.3
149.02354	6.4
161.09642	0.4
166.07355	0.6
166.08643	4.9
175.07613	0.6
190.07809	0.5
196.88869	0.4
199.91164	0.4
219.08171	1.0
247.07506	0.5
251.10738	0.9
279.12485	0.7
279.17078	2.1
279.20648	0.9
280.14166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03942	5.2
55.05510	19.3
57.07072	2.8
58.64611	1.6
67.05174	2.6
67.05510	35.8
69.07069	13.9
70.21325	5.7
71.04979	2.1
71.08627	4.2
77.64702	1.6
79.05494	76.0
81.07053	42.9
83.04965	2.9
83.08625	9.3
85.06536	3.1
91.05482	29.4
92.05846	1.7
93.07044	100.0
95.04965	14.3
95.08607	28.0
97.06532	3.1
97.10176	3.4
99.08098	2.6
105.07034	17.7
106.07343	2.3
106.30495	1.5
107.04925	2.6
107.08595	47.0
109.06508	2.4
109.10163	13.9
111.08080	2.0
117.06995	3.2
119.08581	11.2
121.04290	1.7
121.10144	46.4
123.11713	3.4
131.08542	5.5
133.10133	11.1
135.11691	40.3
143.08632	1.9
145.10097	6.2
147.04430	6.6
147.11717	9.4
149.13245	19.2
149.52550	1.6
151.11221	3.3
159.11673	4.2
161.13260	2.5
163.11197	3.1
163.14851	5.6
171.11768	2.3
173.13400	2.2
175.14825	2.6
177.12723	2.2
179.14340	3.7
203.14442	2.3
207.13814	1.9
213.16408	1.9
217.67494	1.7
221.15340	4.9
235.16977	6.3
259.20639	3.9
277.16592	5.9
277.21625	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03940	11.4
55.01872	36.3
55.05511	38.9
57.03433	3.6
57.07083	14.7
65.03945	3.0
67.05505	80.8
68.66061	2.7
69.03404	2.5
69.06721	3.9
69.07069	50.0
69.25059	30.6
71.04970	8.7
71.08615	3.2
79.05495	86.3
81.03420	19.6
81.07056	86.2
83.04987	14.7
83.08620	33.0
85.06564	4.7
91.05477	60.0
93.07043	92.8
95.04962	30.2
95.07989	3.1
95.08606	65.1
97.06541	32.4
97.10169	4.9
99.08059	3.6
105.04565	3.3
105.07036	44.0
107.04931	6.0
107.08590	49.2
109.06522	19.0
109.10153	27.8
111.08065	16.1
113.09663	3.1
114.10252	3.2
117.07030	5.7
119.04924	4.0
119.08566	29.4
121.06492	4.4
121.10140	50.5
123.08079	5.2
123.11700	9.7
125.09650	7.1
129.06990	4.5
131.08551	7.5
133.10149	20.4
135.08022	4.9
135.11697	38.9
137.09625	6.0
139.11176	3.2
143.08559	7.4
145.10132	9.0
147.04416	25.4
147.11682	35.0
149.09602	5.6
149.13263	20.7
149.36720	2.6
151.11253	12.4
157.10117	7.2
159.11703	5.6
161.13268	14.0
163.11137	6.5
163.14813	7.1
165.12822	15.8
167.10664	2.8
171.11684	7.6
173.13330	3.0
175.14833	4.2
179.10660	4.6
179.14252	6.4
185.13164	2.8
187.14772	2.8
189.12790	3.6
202.33475	2.7
207.13869	5.1
217.19604	3.7
221.15355	5.0
231.21037	7.3
235.16925	19.7
241.19501	8.1
249.22159	3.4
259.20566	13.8
277.16974	5.8
277.18314	5.8
277.21603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.05511	15.5
57.07082	1.8
67.05505	31.0
69.07071	15.4
70.07482	4.1
70.07894	3.2
71.04985	3.2
79.05495	72.6
81.07059	35.1
83.04946	1.6
83.08623	6.8
85.06534	2.0
87.03590	1.2
91.05485	26.9
93.07046	100.0
95.04968	8.2
95.08611	23.2
97.06523	1.7
97.10166	3.7
105.07018	14.2
107.08596	52.5
109.06528	2.1
109.10157	12.7
112.64263	1.3
117.07030	2.4
119.08561	8.7
121.10149	41.2
121.57750	1.3
123.08062	2.0
123.11684	3.1
126.08127	1.5
127.93886	1.4
131.08586	3.7
132.65651	1.2
133.10126	12.3
135.11691	58.3
137.09642	1.7
143.08632	1.3
145.10114	3.4
147.11664	8.9
149.09607	3.5
149.13257	20.2
157.10138	1.9
159.11682	3.4
161.13272	3.1
163.14801	5.0
171.11769	2.2
175.14859	2.3
189.12793	1.2
195.13791	1.6
199.14795	2.2
207.13777	2.7
213.16446	2.3
221.15320	2.6
235.16896	3.1
241.19525	1.6
259.20612	4.3
277.21637	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03923	4.9
55.01865	3.5
55.05511	20.5
57.03421	7.5
57.07078	3.5
59.04993	1.6
63.30278	1.4
64.20111	1.5
65.03876	1.7
67.05500	41.5
69.07065	19.9
69.53600	7.4
69.54024	5.8
71.04973	1.8
76.14453	1.8
79.05489	70.2
81.03398	2.0
81.06585	3.0
81.07053	53.4
83.04980	1.9
83.08614	10.2
84.76379	1.5
85.06528	4.6
91.05467	34.8
93.07042	100.0
95.04970	8.4
95.08594	38.2
97.06517	2.4
97.10130	2.4
98.21539	1.7
99.08086	2.6
105.04504	1.7
105.06498	1.8
105.07036	20.3
107.08584	59.0
109.06506	7.4
109.10168	13.7
111.08109	3.1
117.06974	4.9
119.08575	17.8
121.09323	3.1
121.10146	53.5
123.08070	4.3
123.11675	3.5
129.07007	2.8
131.08545	6.8
133.10129	13.9
135.08018	2.9
135.11679	53.8
137.09595	3.1
143.08531	2.3
145.10120	6.5
147.04422	3.5
147.11682	10.1
149.09627	2.7
149.13243	26.2
151.11195	3.2
157.10136	2.4
159.11639	5.8
161.13208	5.7
163.11168	2.4
163.14810	7.0
165.12682	2.1
168.23076	1.7
175.14807	2.3
177.12762	2.0
181.12309	1.9
185.13237	2.1
187.14784	4.8
199.14825	2.3
205.15909	4.9
213.16309	2.5
216.36090	1.7
221.15277	3.9
231.21307	1.7
235.16949	3.1
241.19588	3.0
259.20590	7.9
277.21619	73.1
284.01999	1.8
284.73587	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03951	5.5
55.01859	2.1
55.05264	1.7
55.05509	19.3
57.03431	1.3
57.07068	2.0
64.11331	0.8
65.03930	2.6
67.05505	41.5
68.44647	0.8
69.06741	1.0
69.07074	16.4
70.71138	3.1
71.05021	1.9
71.08286	1.3
71.08634	15.4
72.10810	1.0
79.05493	67.4
80.70638	0.9
81.03396	3.7
81.07055	51.9
83.04976	3.8
83.08613	7.9
85.06541	2.9
91.05481	29.2
92.15684	0.8
93.07042	100.0
94.07375	1.4
95.04967	10.3
95.08609	36.1
97.06513	3.5
97.10156	4.2
99.08096	11.5
105.04483	1.5
105.07025	18.5
107.04936	3.7
107.08593	58.5
109.06520	3.9
109.09474	1.0
109.10163	11.5
111.08060	1.3
117.07032	4.4
119.08575	13.5
121.06508	2.6
121.10143	50.1
123.08044	2.6
123.11669	2.7
125.09613	1.2
129.07036	2.3
131.08572	5.8
133.10147	11.2
135.08141	1.2
135.11685	58.3
137.09584	2.3
141.09082	2.0
143.08563	2.7
145.10114	5.4
147.04413	1.0
147.11682	7.2
149.09592	0.9
149.13264	17.8
151.11208	7.9
157.10187	1.8
159.11694	3.4
161.13243	6.6
163.11163	3.1
163.14790	4.9
165.12766	1.9
167.10689	2.3
171.11697	2.2
173.13185	1.1
175.14754	2.3
177.12721	2.7
179.14302	14.8
181.12190	1.3
185.13243	2.7
189.12843	1.3
195.13800	2.9
203.14420	1.3
207.13768	1.2
214.29597	1.0
221.13440	1.2
221.15300	4.4
235.16968	3.7
237.22934	1.0
241.19278	1.3
249.22098	1.1
259.20547	4.3
277.21622	78.1
278.22067	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02377	1.3
52.31340	0.8
53.03934	3.2
55.01861	2.8
55.05509	19.6
57.03426	3.9
57.07072	4.6
59.04996	1.1
65.03935	1.5
67.05503	41.8
68.68551	0.8
69.03425	1.3
69.07066	17.5
70.11694	2.8
71.04984	3.1
71.08629	17.9
77.03883	1.1
79.05491	67.9
80.05806	1.1
81.03413	5.0
81.07055	52.0
83.04993	5.1
83.08618	7.0
85.02850	0.9
85.06527	2.4
91.05476	33.2
93.07040	100.0
95.04969	14.1
95.08604	40.1
97.06520	4.1
97.10168	2.7
98.21605	0.9
99.08094	14.3
105.04508	1.4
105.07022	19.9
107.04922	3.2
107.08595	56.6
109.06499	4.3
109.10164	10.0
111.08062	1.5
113.09618	1.3
117.07016	4.4
119.04890	1.0
119.08574	13.5
121.06487	1.9
121.10139	48.7
123.08057	2.8
123.11685	3.3
129.06987	2.6
131.08588	6.0
133.10123	11.1
135.08055	1.1
135.11688	54.2
137.09567	2.8
138.56874	0.8
141.09084	1.7
143.08591	1.5
145.10132	6.3
147.04390	2.7
147.11700	6.4
149.09537	1.4
149.13251	19.7
150.07907	0.7
151.11174	7.2
157.10089	1.9
159.11687	4.1
160.78241	0.9
161.09590	1.1
161.13243	8.0
163.11212	3.9
163.14824	4.4
165.12785	1.6
167.10672	2.5
171.11668	3.5
173.13229	2.4
175.14870	1.3
177.12740	2.8
177.16386	0.9
179.10733	1.9
179.14322	18.2
181.12225	1.2
185.13284	3.8
187.14815	2.6
189.12724	1.8
191.87805	0.9
193.14886	0.8
195.13794	1.9
199.14792	1.1
203.14307	1.7
207.13831	1.3
209.15324	1.1
217.15802	0.9
221.15411	3.6
231.17336	1.2
231.21103	1.0
235.16882	7.1
241.19443	1.2
259.20544	5.2
270.41843	0.9
277.18478	2.1
277.21609	67.3
279.01706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03935	3.9
55.05506	18.6
57.07068	1.5
58.10017	1.4
60.22837	1.4
67.05499	27.4
69.07060	15.4
69.75873	1.4
70.05354	3.9
70.05744	3.3
70.56953	1.2
71.04963	2.5
75.36605	1.4
78.55509	1.3
79.05489	72.7
81.07053	32.8
83.04960	1.7
83.08611	7.9
85.06512	2.5
91.05476	23.0
93.07040	100.0
95.04966	8.5
95.08599	23.4
97.06540	2.2
97.10145	3.2
105.04510	2.0
105.07041	13.5
107.08589	53.0
109.06555	1.5
109.10134	11.4
117.06993	4.5
119.08567	10.4
121.10143	46.5
123.08011	1.8
123.11697	1.9
131.08537	5.5
133.10147	9.5
135.08119	1.7
135.10689	3.1
135.11682	50.2
135.12718	2.7
143.08566	2.2
144.78555	1.4
145.10114	1.8
147.11662	7.8
149.13248	28.0
159.11699	3.0
161.13228	5.3
163.11218	2.4
163.14798	5.1
171.11670	1.6
175.14743	2.7
185.13208	2.7
195.13722	1.3
203.14349	1.4
207.13899	2.3
221.15150	1.7
235.17003	3.9
241.19286	1.8
259.20560	3.4
277.21594	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	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03935	7.7
55.01877	15.4
55.05273	1.9
55.05509	26.2
57.03421	3.0
57.07053	7.4
57.08779	1.8
63.67896	1.9
66.72646	1.7
67.05503	56.2
69.03399	2.1
69.07062	20.2
69.70416	12.0
71.04987	5.0
71.08630	12.6
71.49793	2.4
79.05489	77.8
81.03406	4.4
81.03857	2.0
81.06586	3.7
81.07053	59.1
83.04967	10.6
83.08614	13.0
85.06544	5.7
86.98695	2.1
91.05477	38.3
93.07039	100.0
95.04957	15.7
95.08058	2.7
95.08605	31.7
97.06530	6.4
97.10146	4.7
99.04430	2.5
99.08095	7.6
103.05482	2.3
105.07033	31.5
107.04937	5.0
107.08592	50.1
109.06507	5.6
109.10126	14.7
111.04428	2.2
111.08088	12.9
117.07005	6.7
119.04944	3.1
119.08579	17.0
121.06483	4.3
121.10133	31.2
123.08049	5.0
123.11681	6.4
125.09599	4.4
128.06099	2.6
129.06981	4.8
131.08548	7.5
133.10112	17.5
135.08037	6.4
135.11694	28.4
137.09557	2.9
141.12721	3.0
143.08536	5.5
145.10129	7.6
147.04388	7.7
147.08052	2.7
147.11694	18.2
149.09625	4.4
149.13243	17.1
151.11180	6.7
159.11664	6.0
161.09650	3.9
161.13243	7.3
163.11153	11.4
163.14810	6.6
165.12746	6.4
171.11627	3.7
173.13263	3.1
175.11171	5.0
175.14821	6.0
179.10762	3.2
179.14340	4.6
185.13261	3.1
189.12814	2.4
221.15329	4.1
231.21059	3.8
235.16911	5.6
241.19495	3.8
249.22208	2.7
259.20486	12.9
277.21613	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03931	8.0
55.01870	81.3
55.05508	55.2
57.07059	9.9
57.24681	2.1
61.31075	2.1
65.03916	2.4
67.05502	70.7
69.06725	2.6
69.07066	26.5
69.87801	3.6
69.88210	7.8
71.04983	7.0
71.08627	11.2
73.31441	2.8
79.05062	4.0
79.05492	58.9
81.03398	5.1
81.06586	3.9
81.07054	74.9
83.04971	16.9
83.08615	25.0
85.06544	5.5
85.10173	4.9
91.05478	53.2
93.07040	82.6
95.04961	20.4
95.08048	4.2
95.08601	46.2
97.06532	17.1
97.10188	4.1
98.21438	2.2
99.08086	5.5
105.07029	32.0
107.04935	6.7
107.08595	38.4
109.06490	11.3
109.10146	16.0
111.08076	71.2
113.09623	5.1
117.07012	8.5
119.04929	2.7
119.08575	22.8
121.06524	4.0
121.10135	31.1
123.08050	7.1
123.11678	7.0
129.06999	4.1
131.08572	8.1
132.52345	2.1
133.10147	29.7
135.08064	2.8
135.11676	28.0
137.09625	5.1
137.13239	5.0
143.08533	4.8
145.10126	6.0
147.04416	9.5
147.08002	2.6
147.11647	16.2
149.02310	2.2
149.09613	7.2
149.13240	16.2
151.11133	14.0
153.12715	7.2
157.10156	5.7
159.11661	5.2
161.09662	3.6
161.13266	11.6
163.11177	8.2
163.14783	5.2
165.12737	12.7
171.11664	6.9
175.11179	4.4
175.14816	7.1
179.14128	4.4
185.13202	2.3
189.12698	2.8
193.12283	4.8
194.80386	2.4
199.14828	3.9
221.15407	3.8
231.21027	5.0
235.16927	8.7
241.19409	5.5
249.22127	9.0
259.20630	11.2
277.16904	4.4
277.21628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03934	4.1
55.01861	5.6
55.05271	1.6
55.05513	21.5
57.07067	4.9
65.03921	1.4
67.05502	39.2
69.03420	1.8
69.07065	16.4
69.39585	2.7
69.39996	10.4
71.04978	3.1
71.08638	2.5
78.78719	1.2
79.05495	71.5
81.03401	2.1
81.07055	41.2
83.04974	3.3
83.08614	10.3
85.06549	2.3
91.05473	29.9
93.07044	100.0
95.04974	11.6
95.08602	27.6
97.06559	1.7
97.10190	3.7
99.08097	2.0
105.07041	21.0
107.08593	47.2
108.93785	1.4
109.06506	5.7
109.10155	15.4
111.04449	2.0
111.08070	3.6
114.10320	1.9
117.07027	4.5
119.04926	2.4
119.08563	11.9
121.06491	2.1
121.10140	38.4
123.08083	2.4
123.11717	4.2
125.09598	1.5
129.07025	1.8
131.04935	2.2
131.08542	7.0
132.44452	1.7
133.10120	15.6
135.08012	2.4
135.10689	3.0
135.11694	45.3
135.88699	1.3
143.08527	4.3
145.10121	3.1
147.04413	12.6
147.11708	8.8
149.09656	2.2
149.13263	20.9
151.11165	3.5
159.11742	3.3
161.13304	6.4
163.11232	2.7
163.14813	6.0
165.12790	1.6
167.10620	1.7
171.11679	2.2
173.13313	2.5
175.11223	2.5
175.14824	3.3
177.12721	1.4
179.14336	1.6
185.13286	3.0
189.12788	1.8
195.13783	2.4
207.13872	3.6
213.16341	2.5
221.15466	3.1
231.21045	2.3
235.16896	5.1
241.19350	2.0
249.22249	1.7
259.20486	5.0
277.16672	4.4
277.21625	62.1
278.21780	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1657
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
60.05643	3.8
65.03940	0.9
70.10961	2.0
72.08154	11.0
84.49008	0.4
89.10789	1.4
91.05477	10.1
97.07651	1.9
98.06040	0.9
111.76010	0.4
114.10287	20.7
115.08693	3.2
119.04935	27.9
131.12921	4.3
146.22246	0.4
147.04405	100.0
148.04781	1.3
155.48079	0.4
157.10883	0.5
173.29622	0.4
217.13327	5.3
217.42960	0.4
218.11772	4.9
233.56757	0.4
235.14384	1.5
260.13922	11.4
277.16586	53.7
278.16956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1657
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
55.01353	0.3
58.32470	0.3
60.05640	1.2
69.64687	0.7
69.65105	1.8
72.08154	5.4
85.56985	0.3
89.10783	0.4
89.30924	0.4
91.05470	5.6
97.07641	1.6
98.06023	0.5
98.20692	0.4
114.09462	0.5
114.10284	15.2
115.08690	5.2
119.04939	18.3
131.12921	1.5
145.15459	0.4
147.04399	100.0
148.04745	1.4
217.13359	6.0
218.11755	7.6
235.14391	0.7
260.13937	11.6
277.16583	45.5
278.16864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61522	4.4
56.96552	11.3
61.18402	4.1
61.39872	3.7
69.03429	5.6
70.06587	5.8
71.07260	14.9
72.08134	5.0
75.13907	4.3
80.05030	7.7
81.03382	6.2
84.04518	7.1
84.08145	21.3
85.02882	7.0
98.97576	9.4
101.00876	22.0
109.02885	5.1
116.98605	10.0
119.01925	100.0
128.98633	5.5
130.04996	9.8
130.08614	5.8
131.01915	9.5
133.03465	28.0
137.02975	23.9
143.01913	14.8
145.03438	11.0
146.99663	5.3
149.02982	5.1
154.08626	5.5
157.03491	38.5
159.01427	6.2
161.02963	71.4
173.02985	10.6
175.04524	34.4
185.02950	18.6
187.04555	12.1
189.06081	6.6
189.08713	5.2
191.03972	7.6
199.04567	6.0
203.04024	14.4
217.05629	7.4
231.09720	10.5
233.12807	4.7
245.05086	14.4
253.07587	6.0
277.03461	12.4
277.07648	49.8
280.25360	4.8
295.05756	7.9
295.08780	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46990	12.8
65.93294	11.6
69.52214	51.3
69.52628	46.7
92.33939	11.9
101.00880	20.6
106.65504	13.3
111.88397	14.2
118.32471	12.3
119.01902	70.1
137.02956	17.1
157.03465	22.5
161.03012	33.4
175.04567	23.2
185.02905	14.5
192.24907	13.1
203.03987	17.4
232.80243	14.3
271.81161	14.3
277.07764	37.6
295.08868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
53.15987	2.0
55.05507	17.4
57.07076	10.5
60.34450	1.8
61.97011	1.6
67.05503	38.7
69.07065	34.6
69.29899	20.6
71.08611	4.0
75.22817	1.7
79.05502	19.7
81.07057	100.0
83.04982	1.7
83.08615	13.9
91.05475	19.0
93.07052	25.7
95.04942	3.1
95.08607	91.2
97.10164	8.7
104.01260	1.8
105.07023	29.3
107.05006	3.6
107.08588	26.4
109.06537	2.9
109.10158	50.6
111.11726	6.5
115.05463	2.2
117.07024	4.9
119.08598	15.4
121.10148	16.0
123.11711	27.1
129.07036	2.5
131.08575	8.6
133.10158	16.2
135.11696	12.4
137.13251	8.3
145.10156	5.3
147.11703	8.6
149.09575	3.0
149.13266	9.0
151.14821	5.3
157.10229	2.3
159.11694	4.1
163.11226	2.0
163.14819	4.3
165.16461	2.1
170.13858	1.5
173.13165	1.8
257.18976	2.8
275.17245	3.7
275.20081	35.0
275.27420	36.3
290.92902	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
56.96568	3.5
57.07067	4.2
58.99872	2.3
59.82524	1.7
62.10175	2.0
69.03437	2.1
69.84697	10.0
69.85113	2.9
71.04990	3.6
74.52423	1.8
77.00903	2.3
77.65323	1.6
81.03426	7.7
85.02911	2.5
98.97575	10.5
99.04484	2.3
101.00878	10.8
105.00330	1.9
109.02876	7.9
115.02474	3.1
116.98613	15.6
118.01127	3.2
119.01923	100.0
120.02048	2.4
121.01648	2.7
131.01930	9.1
133.03516	13.5
134.99655	16.3
135.04396	2.9
135.61281	1.9
137.02959	46.9
138.03062	2.5
139.02679	2.6
142.03494	7.2
143.01930	6.1
145.03490	11.6
151.04564	5.0
153.00742	5.5
156.02626	2.3
157.03473	32.7
158.01353	1.9
161.02960	46.5
163.03828	22.4
167.01874	2.2
169.03490	2.4
171.04984	3.1
173.03006	2.7
175.04539	34.5
177.00949	14.1
178.00960	2.5
178.03328	2.1
179.00760	5.3
179.04059	4.9
183.05061	2.8
184.04617	2.1
185.02963	14.8
187.04506	5.5
189.04518	3.0
189.06085	4.1
191.04042	2.1
199.04559	5.4
201.06104	5.0
203.04036	14.1
210.95915	2.7
212.86961	2.4
217.05609	6.2
219.02029	19.8
220.02168	2.8
221.01785	3.8
221.04973	2.8
227.03909	3.3
235.16962	5.5
236.99702	2.4
244.49051	2.2
245.05098	5.7
250.99251	5.6
251.49306	3.8
252.96971	3.4
253.05435	2.9
254.94287	4.0
256.96927	2.6
257.97037	2.7
258.99713	9.7
259.06668	5.9
261.03082	3.5
262.50128	2.5
263.02859	4.0
263.06018	3.6
276.96945	4.7
277.00833	17.5
277.05380	4.7
277.07822	40.9
277.17957	6.2
294.97797	4.3
295.08847	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03925	2.6
55.01848	4.4
55.05510	19.8
57.03417	1.6
57.07055	1.4
67.05499	28.6
69.03415	2.8
69.07070	11.2
70.24781	2.9
70.25169	3.5
71.04968	2.9
73.70491	1.5
79.05067	2.6
79.05489	31.2
81.06583	2.1
81.07051	32.6
83.04961	5.5
83.08598	5.9
85.06533	1.8
87.54774	1.5
91.05474	56.6
92.05794	1.6
93.07038	27.9
95.04956	9.3
95.08607	18.8
95.88656	1.4
97.06512	5.8
97.10166	3.1
103.05434	2.4
105.07025	70.8
107.04968	7.0
107.08590	22.9
109.06510	5.4
109.10175	7.8
111.04443	1.8
111.08069	1.7
112.54421	1.7
115.05438	3.3
117.07013	16.0
119.04918	7.3
119.08577	38.3
120.08924	1.6
121.06464	4.8
121.10134	12.1
123.08060	5.9
123.11735	2.0
125.09627	2.3
129.06996	5.0
130.38931	1.4
131.07695	2.2
131.08560	19.8
133.06450	3.2
133.09111	2.6
133.10127	50.9
135.08032	4.9
135.11661	5.0
137.09596	4.7
143.08539	4.1
143.36827	1.5
145.06508	3.2
145.10121	19.7
147.04407	25.3
147.07999	2.7
147.11673	26.6
149.09592	7.3
149.13271	2.2
151.11140	2.9
155.08539	3.2
157.10120	3.7
159.08017	1.9
159.11688	12.1
161.09628	2.3
161.13248	7.6
163.11127	8.0
165.09114	1.4
165.12718	3.2
169.10042	2.4
171.11691	4.4
173.13249	6.0
175.11188	2.6
183.11610	2.1
187.11244	1.8
189.12671	1.6
197.13193	2.1
201.12726	1.7
229.19518	3.8
239.17979	7.5
247.20515	3.8
257.18997	12.7
275.12985	3.4
275.20044	100.0
276.20346	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03937	3.0
55.01863	2.9
55.05308	1.3
55.05510	16.6
57.03421	4.7
65.03922	2.4
66.63103	1.7
67.05506	25.1
69.07072	14.5
71.03938	3.1
71.04278	2.1
71.04984	3.4
71.32378	1.5
75.38998	1.6
79.05493	29.2
81.07054	35.7
83.04961	3.5
83.08603	5.8
85.06534	3.4
91.04907	2.4
91.05475	45.9
93.06486	2.1
93.07042	27.8
95.04954	5.6
95.08598	20.8
97.06512	3.8
97.10166	2.1
99.76844	1.6
105.07029	68.1
107.04958	7.7
107.08588	21.4
109.06516	10.2
109.10144	7.4
117.07020	15.6
119.08574	43.2
121.06494	6.1
121.10121	10.5
123.08068	4.6
129.07021	3.6
131.08575	18.1
133.06500	2.1
133.10123	43.2
135.08064	7.1
135.11673	7.1
137.09615	4.4
141.07031	2.3
143.08595	3.1
145.10139	18.0
147.11688	24.5
149.09613	8.0
151.11229	2.2
155.08501	1.8
157.10118	5.5
159.11656	14.3
161.13260	6.0
163.11171	4.9
169.10060	3.1
171.11731	3.1
172.62785	1.7
173.13226	7.6
175.11205	2.3
183.11688	4.5
187.11186	1.7
187.26563	2.2
197.13200	3.2
201.12743	2.5
203.14259	2.5
207.95636	1.7
215.17978	2.0
229.19334	2.2
239.17975	6.2
247.20525	2.4
257.18979	10.2
275.20059	100.0
276.20526	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	2.0
55.01878	14.2
55.05264	1.2
55.05511	16.6
57.03415	1.3
59.04981	1.2
65.03914	2.2
67.05177	1.7
67.05505	23.0
69.07069	12.3
70.00672	5.6
70.58534	0.9
71.04993	1.7
71.34493	0.9
71.62916	0.9
74.47895	0.8
79.05494	25.3
81.03433	1.5
81.07057	40.9
83.04979	3.4
83.08619	6.6
85.06509	1.5
89.44227	0.9
89.73902	0.9
91.05482	59.3
93.07042	23.8
95.01335	1.6
95.04987	6.5
95.08601	15.6
97.06532	19.9
97.10168	2.8
103.05456	3.0
105.07030	100.0
105.61944	1.0
106.07344	1.4
107.04945	6.4
107.08604	13.5
109.06518	3.9
109.10186	4.5
115.05479	1.2
117.07025	13.6
118.07847	1.1
119.08582	37.4
121.06498	2.7
121.10148	6.1
123.08055	3.0
123.11691	1.6
125.09616	2.0
129.07010	2.1
130.07767	1.1
131.08568	22.2
133.10132	58.3
135.08061	1.6
135.11708	4.4
137.09579	2.4
143.08577	2.6
145.10120	16.5
147.11684	22.1
149.09619	6.2
149.13364	1.2
151.11192	1.8
155.08539	2.1
157.10162	3.0
159.11703	6.9
161.09639	1.0
161.13229	3.2
163.11192	3.6
165.09090	2.2
167.98141	1.0
169.10136	1.8
171.11691	3.2
171.22723	0.9
173.13260	3.9
177.12657	1.1
179.14293	1.5
183.11685	2.8
197.13222	2.4
215.14236	0.9
229.19543	2.9
239.17885	1.7
247.20610	3.2
257.18985	7.0
275.20059	72.8
276.20419	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03939	4.0
55.01871	6.8
55.05510	20.5
56.05096	1.0
57.03424	5.5
57.07070	2.4
60.13134	1.1
65.03937	2.6
67.05504	34.1
67.72998	1.1
69.03432	2.8
69.07067	12.0
69.49829	10.6
71.04974	4.7
79.05491	45.8
81.03415	4.2
81.07055	98.0
83.04962	5.7
83.08626	8.0
85.06527	2.4
91.05479	47.5
93.07044	29.9
95.04964	11.8
95.08610	22.6
97.06503	5.8
97.10159	3.0
99.04465	1.2
105.06316	2.5
105.07024	50.8
107.04954	9.3
107.08590	22.1
109.06514	43.1
109.10165	8.2
111.04369	1.3
111.08080	3.6
117.07003	12.8
119.08583	33.3
121.06501	9.8
121.10151	14.6
121.69784	1.1
123.08065	9.6
123.11683	3.2
124.20054	1.2
128.06201	1.3
129.07016	3.5
131.08574	17.6
133.06494	2.8
133.10118	32.7
135.08080	8.8
135.11671	6.7
137.09639	5.3
141.06961	1.6
143.08536	3.8
145.10135	15.3
147.08034	2.4
147.11688	27.6
149.09602	10.1
149.13243	7.1
151.07613	1.8
151.11194	3.5
155.08464	1.9
157.10091	4.8
159.11705	11.1
161.09540	2.9
161.13268	6.4
163.11172	7.8
163.14771	2.9
165.12755	4.2
169.10110	2.5
171.11673	2.5
173.09689	1.6
173.13257	5.8
175.11208	5.4
175.14804	1.8
177.12756	3.6
183.11722	1.5
187.11189	1.8
187.14816	1.7
193.12221	4.8
197.13292	2.9
199.14966	1.4
201.12625	1.4
205.15854	1.6
215.14375	1.4
215.18086	2.0
229.19508	4.2
239.17963	4.7
247.20636	8.7
247.22754	1.5
257.18997	10.3
275.20062	100.0
276.20303	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.01241	1.4
55.01850	5.0
55.05507	15.3
57.03430	2.4
66.93628	1.3
67.05501	26.8
68.25466	1.4
69.07060	12.4
71.04987	2.9
72.22108	1.4
79.05061	2.5
79.05492	32.3
81.07053	30.5
83.08603	5.1
85.06504	1.7
91.05474	50.9
93.06489	1.7
93.07047	28.6
95.04963	5.3
95.08607	19.7
97.06522	3.6
97.49363	1.5
100.88341	1.4
103.05467	3.0
105.07026	62.7
106.71165	1.4
107.04939	6.7
107.08583	16.1
109.06509	6.7
109.10144	8.8
115.05456	2.5
117.07014	13.7
119.08572	43.0
121.06499	5.1
121.10132	12.6
123.08040	4.6
123.11692	1.7
129.07008	3.9
131.08566	18.7
132.09373	1.8
133.06482	2.1
133.09105	2.7
133.10117	40.9
135.08041	8.3
135.11678	6.5
137.09612	4.3
143.08542	4.8
145.10112	16.2
147.11685	26.1
149.09587	7.2
149.13284	2.3
151.11218	2.4
155.47043	1.9
157.10072	3.6
159.11707	12.3
161.09615	2.8
161.13272	7.2
163.11162	5.7
163.14980	1.6
169.10175	2.5
171.11649	2.8
173.13319	8.1
175.11142	3.0
177.12749	1.6
183.11562	1.7
187.14717	1.9
197.13312	2.9
201.12584	1.6
201.16353	1.6
229.19408	4.6
239.18016	4.4
247.20609	7.1
257.18976	10.1
275.20056	100.0
276.20407	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.3
53.03946	2.1
55.01858	4.5
55.05272	1.8
55.05509	18.5
57.03419	4.3
57.07061	1.2
59.47708	1.2
60.41608	1.0
61.84273	1.2
64.35561	1.3
65.03939	1.9
67.05500	30.1
69.07069	14.7
69.25088	4.5
69.25517	9.5
71.04981	1.8
79.05489	34.8
81.03407	3.0
81.07053	32.1
82.88910	1.2
83.04977	4.5
83.08624	5.7
85.06548	1.9
91.05478	51.1
93.06482	1.7
93.07042	28.3
95.04979	8.9
95.08601	19.1
97.06512	4.1
98.21448	2.7
103.05473	2.6
105.07024	56.7
106.41326	1.3
107.04953	8.1
107.08584	22.5
107.63354	1.3
109.06527	7.8
109.10145	10.3
111.08034	2.7
115.05434	1.9
117.06997	14.1
118.07793	1.3
119.08582	39.2
121.06471	6.2
121.10137	13.1
123.08064	5.5
123.11701	2.2
125.01019	1.3
125.09656	2.4
129.06982	4.2
131.08572	18.1
133.06500	2.1
133.10123	42.3
135.08043	15.0
135.11682	6.9
137.09633	5.9
139.11150	1.3
141.06992	1.3
143.08568	4.5
145.06487	1.9
145.10117	14.8
147.08031	3.3
147.11693	20.0
149.09608	12.6
149.13217	2.2
151.11136	4.0
155.08533	2.0
157.10127	4.1
159.08032	1.6
159.11710	9.5
161.09618	4.2
161.13252	4.7
163.11150	6.5
165.12772	1.3
169.10136	3.6
171.11723	3.4
173.13243	7.7
175.11203	2.8
177.12689	2.3
183.11684	3.2
185.13266	1.3
187.11220	1.5
187.14833	1.9
189.12723	1.7
191.14299	1.5
197.13275	3.5
198.52350	1.2
201.12730	2.5
201.16217	1.4
229.19513	4.2
233.15462	1.3
239.17905	4.6
247.20615	7.6
257.19061	9.4
275.20059	100.0
276.20398	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.65012	1.4
53.03944	2.9
55.01871	7.4
55.05508	26.1
67.05502	34.5
68.28092	1.3
69.03404	1.4
69.07066	11.8
71.04985	3.2
79.05492	47.8
81.07053	30.6
81.34969	1.6
83.04947	2.9
83.08607	7.9
84.85938	1.2
87.99416	1.4
90.25491	1.4
90.26380	1.2
91.05480	47.7
93.06479	2.1
93.07041	28.7
95.04974	7.4
95.08611	14.1
97.06539	6.8
97.10171	3.0
103.05457	1.7
105.07030	59.9
107.04962	19.6
107.08597	26.9
109.06509	3.4
109.10142	15.4
115.05417	2.2
116.06151	1.7
117.07028	12.8
119.08582	38.9
121.06496	4.9
121.10146	12.2
123.08040	1.6
123.11683	2.5
125.09641	5.9
129.07025	3.3
131.08572	16.5
133.06425	1.9
133.10118	37.2
135.08058	5.8
135.11664	4.4
137.09634	2.7
141.06979	1.6
143.08556	4.4
145.10110	15.7
147.11678	25.7
149.09618	32.6
149.36093	1.6
151.11189	1.6
157.10158	3.2
159.11702	11.3
161.09590	2.6
161.13254	8.3
163.11160	4.1
169.10078	2.0
169.12192	1.6
171.11629	2.2
173.11734	4.2
173.13255	8.1
175.11134	2.0
175.14778	1.9
179.10674	1.8
183.11674	1.5
187.11279	2.4
201.12715	2.1
205.12091	1.8
215.17958	2.3
229.17392	1.7
229.19518	8.9
236.10239	1.5
239.17886	5.4
240.66060	1.6
247.20491	4.2
257.18976	16.9
275.20059	100.0
276.20413	3.4
279.88474	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.48120	1.4
51.07115	1.5
53.03940	4.1
55.01870	6.9
55.05511	20.4
57.03425	3.7
57.07074	1.4
65.03925	2.6
67.05174	2.1
67.05503	29.5
69.03433	1.6
69.06777	1.4
69.07069	15.1
69.79103	9.7
71.04990	3.5
79.05490	47.7
81.03413	3.5
81.07053	79.7
83.04966	4.7
83.08600	4.8
85.06540	2.1
85.73498	1.4
91.05478	47.2
93.07041	28.0
95.04977	10.4
95.08599	24.6
97.06524	6.1
97.10137	2.8
99.08102	2.1
101.09780	1.4
103.05529	1.6
105.07028	57.6
107.04939	14.4
107.08580	19.4
109.06509	26.9
109.10138	10.4
109.45452	1.5
109.84941	1.5
111.08035	2.2
115.05432	1.8
117.07008	11.1
119.08575	33.8
119.09371	2.9
119.46610	1.7
121.06491	7.7
121.10140	14.7
123.08071	8.3
123.11706	2.4
125.09642	1.8
129.06990	4.4
131.08557	19.2
133.06488	2.5
133.10127	29.7
135.08046	8.4
135.11734	7.0
137.09593	4.3
143.08545	3.9
145.10127	13.2
147.08025	2.9
147.11696	19.1
149.09660	7.3
149.13257	4.7
155.08653	1.9
157.10133	4.9
159.08041	1.8
159.11685	11.4
161.09618	2.8
161.13281	5.9
163.11177	7.3
165.12712	2.7
171.11659	2.6
173.13289	7.4
175.11218	3.4
175.14871	1.8
177.12769	4.0
182.87331	1.8
183.11696	3.3
187.11143	2.2
187.14743	2.1
190.63446	1.5
193.12218	4.1
197.13210	2.1
201.12700	1.6
201.16434	1.6
215.14351	2.2
229.19644	3.8
233.18851	2.0
239.17929	5.0
247.20625	6.9
257.19012	8.5
275.20062	100.0
276.20349	1.8
294.84039	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.59803	1.4
51.12180	1.4
53.03918	1.7
55.01859	4.9
55.05508	15.6
57.03411	1.7
57.07062	2.1
60.07207	1.3
65.03922	1.9
67.05503	26.0
67.29963	1.5
69.03407	2.3
69.06782	1.2
69.07070	15.0
70.14651	7.8
71.05005	1.8
75.31351	1.3
79.05487	22.7
81.07052	32.4
83.04976	11.0
83.08603	5.3
85.06546	1.8
91.05478	30.3
93.07037	29.4
95.04977	9.9
95.08604	20.4
97.06524	6.7
97.10170	2.0
105.07026	39.4
107.04948	8.2
107.08588	17.9
109.06509	11.3
109.10153	6.0
111.08067	2.6
117.07018	11.4
119.08579	23.1
121.06512	12.0
121.10116	10.0
123.08048	10.4
123.11679	2.9
129.06979	3.5
131.08572	16.1
133.06483	4.3
133.10114	17.6
135.08047	6.6
135.11687	5.3
137.09607	3.2
141.07039	1.6
143.08556	2.7
145.06476	2.0
145.10106	13.1
147.08063	4.5
147.11696	16.6
149.09608	7.4
151.11150	3.1
155.08530	2.2
157.10110	3.0
159.08069	2.7
159.11690	8.4
161.09641	5.4
161.13255	4.3
163.11223	3.6
171.11674	3.8
173.09564	3.5
173.13237	5.0
175.11177	4.5
175.14870	1.5
177.12692	2.7
182.99664	1.4
183.11725	2.4
185.13226	1.9
187.11247	1.8
187.14890	1.9
191.14330	4.1
199.14970	1.6
201.12776	2.7
205.19595	1.6
207.13773	2.7
215.17883	2.3
219.13730	2.1
229.19525	2.5
232.43753	1.5
239.17921	3.6
247.20612	3.1
257.18997	13.3
275.20062	100.0
275.27884	2.3
276.20441	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.33377	1.4
53.03925	5.1
55.01857	4.3
55.05266	2.0
55.05507	24.2
57.03419	4.8
57.56541	1.8
67.05499	30.2
69.07063	12.9
70.00767	5.3
70.01176	3.8
71.04993	2.4
79.05482	34.6
80.66030	1.5
81.03394	1.8
81.06587	2.5
81.07050	35.9
83.04961	4.7
83.08601	6.4
85.06527	2.8
91.05476	63.2
93.06480	2.8
93.07038	31.4
95.04954	6.6
95.08602	21.7
97.06503	2.8
103.05408	2.0
105.07023	87.1
105.96835	1.6
107.04943	6.7
107.08582	22.6
109.06521	8.2
109.10133	8.3
111.08059	2.6
115.05444	2.9
116.06210	1.6
117.06994	17.7
119.08571	49.7
121.06507	6.0
121.10152	11.9
123.08058	5.4
123.11692	2.1
129.06989	5.7
131.08553	21.5
133.06454	2.1
133.10118	56.9
135.08070	9.5
135.11647	6.0
137.09610	3.9
145.10109	15.8
147.08054	2.4
147.11674	23.8
149.09596	8.9
149.13251	2.6
149.55940	1.5
151.07491	1.9
151.11180	3.6
155.08467	2.3
157.10100	4.7
157.50299	1.6
159.11639	8.5
161.09506	2.3
161.13235	5.5
163.11208	4.8
169.10100	3.7
171.11650	2.4
173.13251	4.4
175.11142	4.7
175.14755	2.2
177.12778	2.2
183.11681	4.5
185.13213	3.0
197.13251	3.0
203.14336	2.7
211.14854	2.0
215.14423	2.5
215.18066	1.7
219.17557	1.5
228.24081	1.8
229.19489	3.1
233.15253	2.1
239.18001	2.9
247.20634	4.0
257.18912	10.7
275.17819	3.7
275.20044	100.0
275.27768	2.3
276.20526	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03935	3.1
55.01860	2.6
55.05509	16.9
55.23862	0.8
57.03431	5.4
57.07051	1.8
63.33717	1.0
67.05186	1.4
67.05505	20.6
69.07069	10.1
69.85202	5.9
70.06582	2.8
71.04987	2.3
71.08629	1.2
72.30897	1.0
79.05067	1.5
79.05494	18.6
81.07056	20.9
83.04970	1.8
83.08591	5.8
85.06528	2.1
88.07611	3.2
91.05479	48.7
93.07047	19.8
95.04948	4.3
95.08609	14.4
97.06496	1.6
97.10170	1.6
98.20741	1.3
99.08005	1.0
103.05444	2.9
104.93198	0.9
105.07028	71.1
107.04948	2.3
107.08587	12.6
109.06506	4.7
109.10195	4.5
115.05463	1.4
117.07009	14.6
118.37624	0.9
119.08582	42.9
121.06500	3.3
121.10165	5.3
123.08011	2.1
127.56586	1.0
129.06987	3.9
131.07582	1.6
131.08560	17.7
133.10129	30.5
135.08047	1.9
135.11668	2.6
140.64400	0.9
141.85414	0.9
143.08551	4.0
145.10115	13.8
146.10854	1.3
147.11682	29.4
149.09599	4.1
155.08426	1.3
157.10086	3.3
159.11708	15.0
161.09526	1.2
161.13251	9.3
163.11201	2.3
169.10101	1.3
171.11662	2.1
173.13232	5.1
175.11154	1.3
175.14833	1.1
183.11710	3.0
185.13261	6.8
197.13258	2.8
201.16267	1.7
203.14340	4.7
211.14844	1.1
219.17412	1.5
239.17867	5.4
257.19006	9.7
257.26654	1.4
275.20059	100.0
275.27704	22.2
276.20334	4.0
277.87027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
54.74515	0.8
55.01853	3.6
55.05505	17.4
57.03425	3.6
57.07056	2.5
59.68069	0.9
65.03915	1.2
67.05167	1.5
67.05498	16.8
69.07067	10.3
69.24489	1.3
69.24889	10.4
70.06569	3.5
71.04965	2.8
71.06919	1.0
71.08652	1.4
79.05064	1.5
79.05488	17.8
81.06591	1.2
81.07050	21.1
83.04972	1.8
83.08619	6.1
85.06528	1.5
88.07612	3.9
89.07961	1.2
91.05474	45.6
92.05799	1.1
93.07036	16.8
95.04945	4.1
95.05487	0.8
95.08596	13.0
96.92680	0.8
97.06512	2.6
97.10166	1.4
100.30870	0.9
103.05466	2.0
105.07025	68.3
106.08636	1.5
107.04938	2.7
107.08580	12.0
109.06506	3.3
109.10109	4.4
111.08034	2.5
113.05968	1.2
117.07012	13.9
119.08573	39.4
121.06503	2.5
121.10155	7.4
123.08067	1.6
123.11673	1.3
128.06171	1.0
129.06987	4.6
131.08553	14.6
132.09283	1.0
133.06482	1.0
133.09100	1.9
133.10115	33.4
135.08076	3.2
135.11639	4.6
141.07019	1.0
142.07680	0.9
143.08525	3.2
145.09052	1.1
145.10112	14.3
147.07977	1.2
147.11673	31.3
149.09601	4.6
155.08513	1.7
157.10095	4.6
159.11685	12.6
161.09598	1.7
161.13245	9.3
163.11166	3.8
167.49271	1.0
170.01466	0.9
171.11694	2.8
173.13268	5.3
175.11104	1.3
175.14845	1.4
177.28447	1.1
181.23979	0.9
183.11737	1.8
185.13243	4.2
187.11064	1.4
193.12360	1.3
197.13287	1.6
203.14275	3.4
211.14711	1.0
233.15504	0.9
239.17932	4.7
257.18991	10.7
257.26614	2.5
275.20044	100.0
275.27725	37.8
276.20508	2.1
296.56396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.99067	1.1
53.03929	3.9
55.01871	8.9
55.05510	19.2
57.07072	1.4
65.03918	2.7
67.05503	25.8
69.07066	15.4
70.13205	5.1
71.04992	2.5
79.05067	1.9
79.05493	29.8
81.03415	1.5
81.07051	36.4
83.04973	3.9
83.08598	5.2
85.06521	2.4
91.05476	62.3
93.07037	28.2
95.04969	7.9
95.08597	18.8
96.71267	1.2
97.06511	9.4
97.10144	3.6
103.05473	3.2
105.07024	96.1
107.04945	8.2
107.08594	16.4
109.06503	5.6
109.10156	6.5
111.08067	2.3
114.22147	1.2
115.05429	2.1
117.07013	17.2
117.67699	1.2
119.08573	42.2
121.06477	5.2
121.10152	8.1
123.08083	2.5
123.11708	2.0
129.06993	3.6
131.08569	21.1
133.10124	55.6
135.08031	4.7
135.11691	5.1
137.09608	1.5
143.08566	2.6
145.10126	20.0
146.10873	2.1
147.08002	2.0
147.11678	25.2
148.94034	1.2
149.09567	7.9
149.13219	2.4
151.11172	1.5
157.10083	2.7
159.11684	10.8
161.09651	1.3
161.13243	6.0
163.11185	3.8
165.09033	2.1
171.11670	3.7
173.13217	5.3
175.11076	1.9
175.14857	1.4
177.12657	2.1
181.12274	1.4
183.11742	1.9
197.13237	3.2
201.12724	1.6
229.19478	1.5
239.18010	3.1
247.20634	3.3
257.18994	9.5
275.20047	100.0
276.20395	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	275.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.4
56.96560	97.7
57.03438	1.8
60.04523	2.0
61.02905	1.5
65.47575	1.2
69.03423	2.4
70.06570	5.0
70.80857	1.8
70.81186	3.3
70.98115	30.5
71.04979	2.1
72.08144	4.0
73.02917	2.5
74.97594	2.8
77.60796	1.4
81.04523	5.3
81.07037	4.9
82.06582	1.5
84.04482	4.6
84.08131	10.8
84.96024	3.4
85.02879	4.0
86.09711	1.7
88.03964	2.0
88.99149	18.1
95.06084	7.6
97.02885	3.0
98.97557	13.8
100.07621	2.4
103.61053	1.3
107.00175	6.0
107.04945	1.8
110.07174	1.9
110.97571	3.4
111.05581	11.0
116.10686	1.9
116.98602	15.6
119.01888	3.3
123.05544	14.2
125.07119	6.8
128.98596	6.4
129.10210	2.5
131.01854	2.1
134.99654	11.1
136.06227	2.4
136.07387	1.3
137.03003	1.5
141.06554	17.4
143.50250	1.4
146.99654	14.4
154.96483	2.5
165.00691	22.5
172.97562	18.6
173.02885	2.0
177.00710	2.6
183.01752	4.5
186.99225	1.6
188.97002	2.5
190.98624	100.0
193.00185	2.8
200.97134	1.8
205.00154	8.1
206.98111	2.1
208.99684	30.8
214.00160	4.2
218.98145	18.2
219.01610	1.6
220.99779	2.8
221.05089	2.2
223.01253	6.2
227.13890	3.1
232.01303	1.7
232.99678	33.3
236.99098	10.0
239.13863	4.8
251.00688	22.9
257.14941	17.9
269.01721	2.8
275.01712	1.5
275.16122	7.3
286.75510	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0912
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02383	0.3
53.03933	0.8
54.53299	0.2
55.05507	0.4
58.53874	0.2
62.62305	0.2
67.01868	0.4
69.03441	0.3
70.04124	1.0
79.05478	1.9
81.07057	0.5
85.02905	0.3
89.93684	0.2
91.05457	0.5
93.07028	0.7
95.04963	1.4
105.07040	0.6
107.04955	100.0
108.05305	1.3
119.08605	0.6
121.06517	0.4
121.10130	0.5
123.04436	0.9
127.03909	1.1
131.08600	0.4
133.10185	0.5
136.06213	0.3
137.05969	0.3
147.08092	0.3
149.06007	0.4
151.03882	1.7
169.04967	10.2
181.05003	0.4
254.14954	0.2
264.35922	0.2
275.08960	1.1
275.19934	0.5
288.84671	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	274.2738
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
57.07075	9.1
58.06596	0.8
62.06071	0.9
69.51820	2.9
69.52239	1.4
70.06591	16.1
71.08337	0.4
71.08636	4.0
85.10170	1.5
88.07628	21.9
96.92126	0.5
102.09171	5.9
106.08666	11.6
143.71378	0.6
161.55467	0.5
230.24820	1.3
256.26303	8.2
274.27393	100.0
275.27759	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
54.11197	2.2
55.01859	1.9
55.05508	23.5
56.05019	5.4
57.03420	2.0
57.07072	7.6
58.99582	7.9
60.92032	2.3
61.01145	2.1
65.03944	3.8
67.05505	38.6
68.41747	2.1
69.07069	22.2
69.96525	11.7
70.06585	4.8
72.08169	3.4
73.01140	4.9
79.05490	53.7
81.07046	43.2
83.04978	21.2
83.08617	7.6
84.08153	3.2
85.01114	8.4
86.00698	2.5
86.09679	2.7
87.02696	3.2
88.02200	12.1
88.03976	16.5
91.05476	27.1
93.07037	100.0
93.96690	2.0
95.04987	10.8
95.08598	34.7
97.01125	5.8
97.06526	8.5
99.02682	14.5
100.02182	3.8
101.04257	4.0
105.00158	2.2
105.04550	1.8
105.07014	20.6
105.65636	2.2
107.08587	70.9
109.06478	3.3
109.10151	43.1
109.26538	2.3
109.38229	1.8
110.07079	2.6
110.09749	1.9
111.02652	15.3
113.04237	6.6
115.02138	3.0
117.03697	5.9
119.05001	2.5
119.08617	3.7
121.10144	10.2
122.02702	5.1
123.11708	16.1
125.04211	13.6
132.01143	6.1
133.10124	16.6
135.11682	63.2
136.12022	1.9
139.05814	2.7
139.63463	2.0
147.04416	3.4
150.25256	1.8
153.12703	10.1
155.08949	4.3
157.94814	2.1
158.02751	2.6
158.06357	2.8
159.11612	2.4
160.04323	3.0
164.96869	2.0
167.08913	11.0
172.04233	2.3
178.04948	3.9
184.11589	2.6
185.09950	80.6
186.05804	9.9
187.11476	2.1
204.06999	5.9
210.13089	3.4
227.10994	2.3
232.09665	2.5
256.13678	18.0
257.12015	4.1
274.12006	3.6
274.14474	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	273.2212
Annotation	androstenone
Peak:m/z	Relative Intensity
53.03952	2.1
55.05504	14.3
56.96549	2.5
57.03434	2.4
57.07059	3.5
58.61780	1.9
58.66750	2.4
61.81371	2.0
65.36555	2.2
67.05508	11.6
67.74658	2.5
69.07048	9.3
70.10722	9.3
71.04990	15.4
79.05483	11.1
81.07049	37.5
83.08599	4.9
85.06516	2.6
91.05478	17.3
93.07046	26.8
94.53145	2.2
95.04957	7.5
95.08611	28.2
97.06528	4.0
97.10154	3.4
100.96416	2.7
105.07023	49.0
107.08588	24.0
109.06516	9.1
109.10145	15.0
109.84796	2.1
111.08089	14.4
113.09647	6.9
117.07029	10.7
117.28049	2.4
119.07804	3.7
119.08581	54.0
121.10107	20.8
121.10832	2.9
123.11678	12.3
129.07004	4.7
130.07834	2.6
131.08586	21.0
133.10120	18.1
135.11684	11.1
137.09685	2.3
142.07727	3.3
143.08597	11.7
144.09314	3.1
145.10126	36.5
147.08044	2.7
147.11687	14.1
149.09578	3.9
149.13243	5.8
151.11163	4.1
157.10133	19.2
159.11700	54.8
161.13287	13.9
163.11180	4.1
163.14803	6.1
171.11694	13.6
173.13245	21.7
175.14790	8.1
176.18277	2.5
177.12721	9.7
179.14223	3.2
185.13234	7.8
187.14774	6.3
189.16371	4.4
190.21443	2.5
199.14778	20.5
201.16383	3.0
203.14267	2.9
203.17894	3.5
213.16438	13.4
215.17944	65.4
216.18163	2.4
227.17821	3.1
229.19525	11.2
231.17323	2.4
245.19086	3.0
255.17323	3.4
255.18138	3.9
255.21054	55.4
273.18579	15.0
273.22092	100.0
273.29837	6.4
274.27371	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	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05497	23.5
57.07061	9.8
59.45448	7.6
63.01331	7.9
67.05499	37.9
69.07059	57.8
74.11336	7.2
79.05478	26.0
81.07056	100.0
83.08617	20.0
87.68857	7.5
91.05451	19.7
93.07058	65.1
95.08597	86.8
97.10152	16.5
98.20734	21.7
105.07055	48.6
107.08594	73.1
109.10164	43.7
119.08581	27.7
121.10138	53.9
123.11724	39.5
133.10120	27.0
135.11690	32.8
137.13234	11.7
147.11659	25.7
149.13290	59.5
161.13213	33.0
163.14809	31.2
175.14804	21.3
177.16371	16.3
189.16360	22.4
191.17918	12.1
203.17950	24.9
217.19522	30.2
273.25772	83.2
285.30069	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	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.30909	1.8
53.45584	1.7
53.58775	1.8
55.01862	2.1
55.05501	6.3
57.07076	4.0
67.05502	9.0
69.07045	5.2
69.93688	4.9
69.94102	7.7
69.97343	1.9
79.05479	7.2
81.07041	8.8
83.04960	4.8
83.08617	4.1
91.05478	10.7
93.07058	10.5
95.04971	25.5
95.08599	6.5
97.06528	2.4
97.47381	1.8
102.16409	2.2
105.07029	17.3
107.08596	13.7
109.06509	25.3
109.10145	6.9
111.08076	3.9
115.05456	3.3
117.07011	6.8
119.08577	24.9
121.06462	2.4
121.10140	6.8
122.07355	2.1
123.08063	26.9
128.06239	3.0
129.06981	6.4
130.07817	4.6
131.08562	16.5
133.10121	10.8
135.08061	7.5
135.11639	3.1
137.09573	5.9
142.07764	9.8
143.08524	14.7
144.09294	2.8
145.06502	2.3
145.10112	40.5
147.08086	5.6
147.11679	14.8
149.09618	2.7
151.07541	4.6
155.08533	6.0
156.09346	12.3
157.10124	30.9
158.10844	4.3
159.08124	5.4
159.11667	11.3
161.09637	7.7
161.13234	3.3
163.11154	3.0
167.08606	2.9
169.10139	8.3
170.10849	2.6
171.11659	24.0
172.12486	2.5
173.09637	10.2
173.13240	30.2
174.10439	2.7
175.11201	15.9
181.10141	4.3
182.10887	4.4
183.11749	3.9
185.13252	8.8
187.11179	16.2
187.14847	4.6
189.12737	18.9
195.11690	5.8
196.12500	3.4
197.13283	13.0
199.11171	12.4
201.12689	2.4
203.14378	4.0
207.11801	2.1
211.14825	4.2
212.15524	2.3
213.12766	6.2
213.16386	13.3
214.13451	2.5
215.14352	31.7
217.12277	13.0
222.14088	2.9
225.12616	3.5
229.15889	3.2
231.17435	15.3
237.16443	4.6
240.15097	3.2
243.13879	3.2
250.54010	2.2
255.17422	31.3
273.18491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03938	1.7
55.01868	4.0
55.05510	12.6
57.03424	2.3
57.07072	0.7
62.05997	0.6
62.81564	0.5
65.03934	1.7
67.05502	18.1
69.03415	2.1
69.07069	7.8
70.64716	2.5
71.04998	1.4
79.05058	1.1
79.05495	14.5
81.03422	1.6
81.07057	13.7
83.04982	2.2
83.08624	3.8
85.06536	1.4
91.05481	28.5
93.07038	10.8
95.04957	5.2
95.08612	8.6
95.72901	0.6
97.06566	1.8
97.10169	2.5
99.08076	1.1
103.05465	1.4
105.03393	0.9
105.07032	23.5
107.04980	4.2
107.05606	0.9
107.08595	7.9
109.06503	3.9
109.10138	4.5
111.08099	2.2
115.05450	3.7
116.06262	4.0
117.07024	21.3
119.04942	1.5
119.08582	21.0
121.06502	3.4
121.10143	2.5
123.04391	0.8
123.08062	2.1
128.06215	3.9
129.07007	12.2
130.07809	4.6
131.04915	1.2
131.08568	46.6
133.06516	6.6
133.10126	7.0
135.08017	3.3
135.11687	1.1
137.09647	1.4
141.06946	2.1
142.07771	2.7
142.44247	0.7
143.08554	14.0
144.09319	1.0
145.06468	3.8
145.10118	30.0
146.07271	1.5
147.08051	13.8
147.11705	3.1
149.09566	3.3
155.08557	2.8
157.06476	1.4
157.10124	11.9
159.08047	5.8
159.11679	7.6
161.09622	8.7
163.11147	1.5
167.08498	0.8
169.10170	2.5
171.08011	1.2
171.11696	5.9
172.12180	0.7
173.09630	3.5
173.13284	1.9
175.11221	8.4
177.12798	1.1
180.09337	1.0
181.10135	2.9
183.11829	1.1
185.09656	3.4
185.13286	4.0
187.11218	2.0
189.12689	1.9
195.11674	2.5
199.11145	4.4
199.14836	1.1
201.12665	0.9
203.10672	1.4
209.13307	1.7
213.12732	1.6
213.16312	1.9
217.12300	0.9
227.17918	4.6
231.17432	0.9
237.16351	3.5
245.19044	3.6
255.17427	9.4
273.18491	100.0
273.29788	2.0
274.18814	1.7
293.42978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03926	1.5
55.01873	3.7
55.05262	0.8
55.05512	11.5
57.03435	1.3
57.07072	1.3
59.05006	1.0
62.06104	0.5
65.03938	1.2
67.05502	16.4
69.03423	2.5
69.07065	8.2
71.04986	1.4
71.08618	0.8
71.58418	0.6
72.03434	0.5
74.41064	0.5
79.05062	0.9
79.05492	12.7
81.03442	1.1
81.07053	11.1
81.16047	0.5
83.04971	2.0
83.08632	3.9
85.06508	0.8
91.05480	23.9
91.20347	0.5
93.07044	11.4
95.04969	4.7
95.08603	7.9
97.06533	1.4
97.10165	2.1
99.08032	0.6
103.05399	1.0
105.04563	0.6
105.07029	23.7
107.04962	4.2
107.08598	6.8
108.91434	0.5
109.06501	3.0
109.10165	2.9
110.54435	0.6
111.08083	1.4
115.05455	2.5
116.06203	2.6
117.07014	16.3
119.04935	1.6
119.08575	18.1
120.05735	0.5
121.06489	3.4
121.09440	0.5
121.10136	3.1
123.04419	0.6
123.08085	2.2
123.11688	0.7
125.09655	0.8
128.06197	3.9
129.07005	11.3
130.07820	3.4
131.08565	37.4
133.06485	5.4
133.10129	7.9
135.08066	3.5
135.11681	1.2
137.05963	0.6
137.09644	0.9
141.06966	1.7
142.07794	2.0
143.08560	12.3
144.05692	0.9
144.09338	0.9
145.06500	3.6
145.10121	19.7
146.07268	1.4
147.08047	13.1
147.11694	4.1
149.09583	2.8
153.06934	0.8
155.08537	1.9
156.04218	0.8
156.97481	1.1
157.06502	1.7
157.10136	9.0
158.10745	0.5
159.08058	7.4
159.11678	6.2
161.05974	0.6
161.09613	10.4
163.11150	2.5
167.08525	0.9
169.10130	1.8
171.08113	0.8
171.11671	5.5
172.12569	0.6
173.09645	3.3
173.13278	1.4
174.98524	1.3
175.11191	8.3
177.09164	0.8
177.12747	1.1
179.10425	0.5
181.10107	1.9
183.11687	1.1
185.09624	3.4
185.13260	3.1
187.11200	1.7
187.14543	0.5
189.12753	2.7
195.11690	1.8
197.13194	0.6
199.11180	5.3
200.11879	0.5
201.00145	0.6
203.10753	0.7
203.14310	1.1
205.12180	0.7
209.13254	0.7
211.14731	0.7
213.00101	2.0
213.12717	1.9
213.16319	1.2
217.12213	1.2
224.80276	0.5
227.14368	0.6
227.17921	3.4
229.15901	0.9
231.01244	0.6
231.17400	0.7
237.16307	3.2
245.19064	4.6
249.29149	0.6
255.17436	9.9
273.18484	100.0
274.18750	1.8
283.31607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03929	3.3
54.03191	0.9
55.01873	7.3
55.05510	13.7
55.93025	0.9
57.03428	2.9
65.03936	7.2
67.05502	73.3
67.90641	0.9
69.03400	2.7
69.07070	7.2
70.83406	2.2
70.83758	1.4
71.04987	1.2
79.05489	20.5
81.03416	3.0
81.07055	17.8
83.04996	4.7
83.08608	3.9
85.06508	1.4
87.02712	0.8
91.05474	25.2
93.07034	17.6
95.04966	100.0
95.08604	11.0
96.05248	1.1
97.06522	7.1
97.10184	1.2
103.05467	1.6
105.07027	25.3
107.04210	1.4
107.04946	20.3
107.08581	10.1
109.06513	8.3
109.10159	2.8
111.08069	5.0
115.05453	3.2
116.06177	1.9
117.07013	11.4
119.04966	1.7
119.08581	12.0
119.51540	1.0
121.06492	10.0
121.10126	2.9
123.08067	2.8
128.06216	2.5
129.07007	7.5
130.07784	1.6
131.04808	0.9
131.08562	17.4
133.06496	8.7
133.10118	6.0
135.08051	3.8
135.11714	4.6
137.05959	3.0
137.09682	0.9
141.06958	1.3
142.07758	1.5
143.08560	12.8
143.09579	1.7
145.06494	3.0
145.10107	15.0
146.07198	1.0
147.08034	11.5
147.11693	3.4
149.09605	2.4
149.13272	2.5
155.08514	1.4
157.10147	6.0
159.08086	2.5
159.11687	5.5
161.09598	5.5
161.13235	1.7
163.07539	1.1
163.11156	2.9
169.10118	2.2
171.11681	4.0
173.09648	1.7
173.13275	1.9
175.11183	3.9
177.12791	2.6
183.11688	1.1
185.09436	1.1
185.13260	2.1
187.11148	2.4
189.12671	1.5
195.11687	1.8
199.11212	1.6
205.12228	1.4
217.15912	1.0
227.17958	1.6
235.42316	1.0
237.16350	2.9
245.19028	4.4
255.17416	4.3
255.21199	1.3
273.18506	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	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.83637	3.0
54.11684	2.3
55.01870	3.1
55.05495	11.4
57.07058	4.3
59.04985	5.3
67.05497	16.3
69.03414	4.4
69.07053	11.4
71.04987	2.7
71.58121	5.0
74.83170	2.7
79.05488	16.5
81.07051	19.8
83.04968	12.4
85.02906	3.4
85.06539	4.6
91.05490	29.6
93.07040	18.4
95.04972	17.7
95.08588	13.1
97.06522	3.6
103.05475	3.3
105.07030	39.5
107.04958	4.0
107.08589	20.0
109.06521	28.0
109.10121	6.8
111.04453	3.5
111.08061	5.3
115.05441	6.0
117.06999	14.5
119.04922	18.0
119.08584	29.0
120.05215	2.6
120.54553	2.7
121.06502	6.5
121.10147	15.6
121.71174	2.6
123.04391	3.2
123.08091	4.5
128.06261	5.3
129.06976	14.4
130.07788	5.7
131.08574	20.7
133.06468	9.8
133.10135	15.3
135.08026	10.3
139.11156	3.9
141.06970	7.4
142.07768	11.6
143.08554	30.3
144.09329	3.0
145.06415	3.5
145.10094	33.9
147.04395	29.9
147.08035	9.5
147.11676	14.6
149.09595	10.0
152.06186	2.8
153.01819	72.8
153.06885	3.5
154.07751	3.9
155.08524	13.5
156.09334	19.5
157.10126	35.1
159.07993	6.7
159.11693	12.8
161.06068	3.3
161.09581	9.3
161.13226	3.8
165.07057	4.4
167.08589	10.2
169.10152	31.3
170.10873	8.3
171.11687	37.2
173.09622	25.3
173.13268	7.7
174.10376	4.1
175.11169	11.4
179.08553	3.9
181.10097	11.2
182.10907	16.9
183.11635	12.4
185.09596	5.5
185.13245	13.0
187.11169	4.0
187.14821	4.0
189.12691	17.0
193.10182	5.8
194.11043	3.0
195.11658	9.1
196.12437	6.4
197.13264	45.0
198.13936	5.9
199.11162	19.5
201.12714	3.4
207.11742	4.7
209.13124	4.6
211.14796	22.9
212.15669	14.0
213.12724	7.4
213.16353	29.8
215.14267	14.4
217.12213	6.4
222.14026	6.6
225.12769	7.7
227.14264	14.7
229.15929	13.1
231.17390	5.6
237.16391	9.0
240.15146	9.5
255.17429	61.6
273.07553	46.0
273.15460	6.5
273.18481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48260	1.3
54.00198	1.4
55.05500	5.7
56.05024	3.3
56.96567	6.6
57.03439	2.5
59.04990	5.2
60.04542	1.4
61.02921	10.5
67.05488	2.8
69.03424	2.9
69.04552	5.5
69.07067	3.9
69.99480	6.0
70.06584	10.8
71.04990	15.7
72.08156	8.0
74.06092	1.8
79.05476	6.4
80.05005	1.5
81.03409	1.9
81.04541	14.1
81.07062	27.1
83.04942	1.5
83.06065	1.5
84.04505	3.8
84.08137	6.8
85.02908	3.0
85.13287	1.2
86.09724	12.6
87.08096	2.3
87.10049	1.8
88.04012	2.2
91.05453	3.9
93.07014	2.3
95.04935	1.7
95.06104	7.7
97.02969	2.4
97.04016	100.0
98.97579	3.7
99.08101	1.7
105.07058	2.4
107.04939	2.7
109.03989	4.4
111.04429	1.9
111.05557	5.3
113.09643	9.6
116.98622	2.9
121.06528	1.4
123.04405	3.8
125.03483	45.2
125.07101	9.0
130.06497	1.7
134.99693	2.9
135.04420	7.3
140.07059	6.1
143.04517	42.2
143.08176	11.6
145.06363	1.4
146.99641	1.5
147.04416	3.2
153.06990	2.6
157.06104	1.4
157.13330	3.8
163.03860	3.8
163.08644	3.0
168.06601	3.5
177.00706	1.7
179.08218	2.4
179.11804	7.5
181.06538	2.1
181.09761	7.6
185.12865	2.7
195.11279	6.2
197.09186	7.5
209.12888	4.3
223.10774	4.9
227.07007	1.9
227.13930	13.9
237.02843	1.5
237.12321	9.6
241.11783	8.2
241.15518	2.6
255.13387	5.9
255.17882	1.4
256.08093	2.8
273.03925	1.8
273.14438	60.5
273.18011	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	273.1121
Annotation	Eulophiol
Peak:m/z	Relative Intensity
52.64796	1.9
53.03940	2.6
55.01862	4.4
55.05500	2.9
56.05043	2.4
56.96555	9.0
57.03432	3.6
60.04493	2.3
67.05523	2.2
69.03425	5.7
69.07075	2.6
70.06594	12.6
71.57399	3.2
71.57756	2.2
72.08140	7.7
79.05494	4.7
81.03399	2.7
81.07034	2.4
81.39030	2.2
83.04987	2.6
84.04512	7.7
84.08148	13.9
85.02901	6.8
86.09710	10.4
91.05477	18.1
91.89188	2.4
93.07037	8.6
95.04958	9.4
95.08588	2.1
98.97572	3.4
99.04450	2.9
103.05482	5.9
107.04947	9.5
107.08575	2.7
111.04431	5.7
114.67342	1.9
115.05409	2.6
116.98605	3.8
117.07030	2.1
118.93375	2.0
119.04943	7.1
121.06506	31.7
123.04443	19.4
129.02953	4.7
129.10229	5.7
129.24017	2.4
131.04974	3.4
131.06723	1.9
133.02841	3.9
134.03625	4.5
134.99573	3.8
135.04410	9.3
137.02399	2.9
137.05989	13.8
139.03951	2.2
141.07011	3.0
142.07825	2.6
145.06522	3.2
147.04385	7.4
148.05118	2.9
149.05994	46.1
151.07524	23.8
152.06195	22.5
153.06999	82.1
157.06548	2.4
161.05968	2.2
162.76840	2.1
163.03925	4.3
165.07005	4.2
167.08519	7.6
169.06487	11.1
170.07338	10.6
171.08131	2.7
180.05688	5.9
181.06482	100.0
182.07146	6.3
183.08002	3.3
184.05093	2.5
185.09563	2.9
195.08035	12.7
197.06023	6.2
198.06790	15.4
199.07500	4.9
209.05980	21.8
213.09088	55.8
223.07565	3.5
226.06265	5.3
227.06976	3.2
227.10753	2.2
241.08583	52.0
242.09258	4.8
245.11893	3.5
255.06715	2.9
258.08838	2.5
273.04037	3.6
273.07947	4.4
273.11176	22.4
273.18161	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	273.0757
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
53.03951	0.3
55.01869	0.4
55.05503	0.4
65.03929	0.8
65.93743	0.3
67.01869	3.0
67.05503	0.4
67.53107	0.3
68.02903	0.3
68.36322	0.3
68.99781	2.1
69.03433	1.9
69.07070	0.4
70.72020	0.3
71.14389	0.5
71.14729	0.5
79.05481	0.4
81.03407	0.4
81.07042	0.8
83.01344	0.6
83.08648	0.4
91.05478	8.6
93.07033	0.9
95.04977	3.0
95.08641	0.6
97.02911	1.7
105.07027	0.7
107.04938	2.6
107.08577	0.7
109.10135	0.5
111.00816	0.4
119.04940	18.1
119.08568	0.6
121.02834	0.3
121.06497	0.6
121.10206	0.3
123.04437	3.9
131.08568	0.4
133.06564	0.3
145.10075	0.4
147.04408	39.7
148.04660	0.8
151.03889	0.9
153.01826	100.0
154.02139	1.5
157.10112	0.4
171.02893	3.3
171.11758	0.3
179.03400	0.8
181.06456	0.5
185.13217	0.3
189.05382	1.6
231.06401	0.3
231.68654	0.3
255.06514	0.5
255.21054	0.4
264.29547	0.3
273.07571	52.6
273.22266	1.4
273.25375	0.3
274.07977	1.3
274.96896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37211	0.5
55.05503	1.9
56.05031	1.4
56.96566	1.7
57.03433	1.5
60.05652	0.7
68.05023	1.5
69.03420	0.6
69.07037	0.6
70.06594	3.9
70.46095	0.7
70.46442	1.9
72.08135	0.7
79.05484	2.0
81.04547	2.1
81.07056	10.1
82.05319	2.2
83.06104	10.1
83.98398	0.5
84.04503	1.7
84.08138	2.0
85.02887	1.0
86.09705	2.8
93.04530	8.1
95.05505	1.1
95.06090	16.7
96.08117	0.7
97.02885	0.6
98.97576	1.3
110.07163	100.0
111.05557	2.0
111.07509	0.7
112.08731	4.5
116.07069	0.6
116.98633	0.9
122.99374	0.5
124.03969	1.9
129.10210	0.8
140.08159	2.9
156.07684	10.8
163.12291	8.1
184.04898	0.7
190.13445	3.3
191.03822	0.7
193.13356	1.6
198.13628	1.3
208.14453	12.7
210.15939	1.2
211.14388	1.5
226.15506	21.4
227.13866	1.5
228.17070	1.4
254.15007	15.7
272.16043	64.4
273.16412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
52.50553	0.3
53.03922	0.5
53.36078	0.3
55.05505	0.8
62.35975	0.3
62.36297	0.3
65.03933	0.5
67.01865	3.2
67.05497	0.9
68.99783	2.1
69.03440	1.8
71.04976	0.3
79.05479	0.9
81.03403	0.6
81.07048	0.8
83.04975	1.2
85.02893	0.6
91.05477	8.1
93.07016	1.0
94.65353	0.3
95.04967	2.7
95.08616	0.8
97.02892	1.2
98.21515	1.1
105.07047	1.5
107.04945	2.8
107.08567	1.1
109.06496	0.8
109.10189	0.4
111.00800	0.9
111.04444	0.7
116.10977	0.4
117.07017	0.7
119.04945	17.1
119.08590	1.3
121.06514	1.1
121.10149	0.4
123.04432	4.1
129.07050	0.5
131.08545	1.1
133.06499	0.6
133.10056	0.4
135.08025	0.4
135.11713	0.4
141.07051	0.6
143.08516	1.0
145.06476	0.6
145.10126	1.1
147.04407	41.6
147.11719	0.6
148.04764	0.7
151.03925	0.4
153.01823	100.0
154.02165	1.0
156.09308	0.5
157.10205	0.8
159.11642	0.5
161.06012	0.5
161.09550	0.4
169.10043	0.7
169.81084	0.3
171.02875	3.6
171.11737	0.7
173.09695	0.8
173.13307	0.7
175.11212	0.4
179.03421	0.5
181.06514	0.5
181.10078	0.4
189.05449	1.0
189.12808	0.4
194.11073	0.4
197.13252	0.8
199.11089	0.4
211.14876	0.4
213.09167	0.5
213.16414	0.8
229.82458	0.4
255.17525	1.7
273.07565	60.7
273.18472	3.2
274.07907	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2631
Annotation	Isoamyl laurate
Peak:m/z	Relative Intensity
55.05508	24.5
57.06831	4.4
57.07074	54.0
59.05002	7.5
65.84669	2.5
67.05494	6.0
69.07060	28.0
71.04976	6.3
71.08628	27.9
71.24429	5.6
71.24807	6.3
73.06541	9.8
79.05477	4.3
81.07040	11.8
83.08604	13.8
85.10171	13.4
89.06008	11.9
93.07028	6.1
95.08588	7.3
97.06544	4.3
97.10155	8.8
103.07563	33.9
107.08565	3.9
109.10132	5.2
111.08051	6.9
117.09157	19.0
121.10140	5.0
122.07128	3.9
126.18371	2.6
131.10649	6.7
139.11195	3.9
149.13239	3.1
153.12668	3.1
188.09329	3.0
192.70616	3.8
271.26282	100.0
275.62186	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	269.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13504	1.0
53.03941	2.9
55.01858	4.1
55.05507	23.4
57.03434	14.1
57.07071	2.5
59.05001	0.9
65.03926	2.7
67.05499	76.4
69.03400	1.0
69.07063	25.5
69.40572	9.0
71.04991	8.8
76.23417	1.0
79.05488	37.6
80.05822	1.1
81.03413	2.6
81.07050	100.0
82.07391	1.2
83.04990	7.6
83.08610	17.7
85.06528	8.0
86.65215	0.9
91.05475	27.0
93.07036	58.0
95.04979	7.1
95.08601	52.5
97.06522	12.5
97.10165	6.5
99.08114	2.3
105.07027	16.6
107.08587	33.3
109.06505	4.0
109.10151	24.7
111.08055	6.1
111.11720	2.0
115.05458	1.5
117.06997	8.4
119.08562	10.8
121.06475	2.7
121.10136	18.2
123.08042	2.7
123.11678	7.5
124.03986	1.2
127.91738	1.1
129.06984	1.7
130.07703	1.1
131.08559	14.6
133.10123	19.3
135.08046	4.0
135.11687	13.0
137.09595	5.8
137.13264	2.1
139.07498	1.5
141.06950	1.2
141.09079	1.0
143.08546	3.0
144.09314	1.2
145.10106	6.0
147.11685	4.5
149.09599	4.4
149.13254	24.4
151.11165	7.1
153.09071	2.7
155.10681	1.1
157.10114	3.4
159.11690	17.3
161.13264	1.7
163.11263	1.4
167.10629	2.2
167.14278	1.6
171.11694	2.3
173.13255	4.5
177.12743	7.2
181.12225	1.5
185.13210	1.0
189.16397	1.7
191.17924	3.9
195.13744	6.8
199.14806	2.3
213.16292	2.9
215.17970	10.9
216.82474	0.9
227.17920	1.9
233.18924	6.3
251.20044	7.6
260.73474	1.0
269.04614	1.4
269.12662	1.7
269.17490	20.7
269.20709	1.5
269.22632	4.2
279.51303	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
53.03934	0.3
64.00496	0.1
65.03928	0.6
68.99440	0.2
68.99791	2.5
69.03419	0.4
71.05037	0.3
71.05393	0.2
79.05482	0.4
81.03409	1.2
82.80056	0.1
89.03922	0.7
91.05470	0.2
95.01335	0.7
96.33318	0.1
101.08141	0.1
107.04950	0.3
109.02881	0.5
111.04436	1.3
115.05456	0.3
117.03363	0.8
118.06499	0.3
121.03950	0.2
126.65238	0.1
127.03926	0.2
129.06944	0.3
135.04419	4.2
137.02335	11.3
139.05309	0.2
141.07005	0.9
147.04396	0.2
148.07521	0.2
153.07016	0.2
154.07649	0.2
155.03391	3.4
155.04710	0.2
157.06483	0.4
159.07991	0.2
161.02336	6.2
165.06975	0.3
169.06442	0.9
173.06026	0.4
185.06052	0.7
190.02182	0.1
197.05994	1.0
204.01706	0.1
211.07504	0.4
213.05522	0.2
215.07071	0.3
225.05490	0.8
243.06544	0.5
253.04988	0.9
271.06003	100.0
272.06363	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01868	6.9
55.05511	13.5
55.79954	1.3
57.03434	25.3
57.07064	3.6
59.04972	1.8
65.03927	1.8
67.05505	74.6
69.03399	3.5
69.06790	1.3
69.07072	15.2
71.05000	7.2
71.05327	1.3
73.02920	2.2
79.05490	19.7
81.03407	3.8
81.07056	79.6
82.07423	1.6
83.04974	7.5
83.08613	6.5
85.02885	1.5
85.06528	8.8
91.05483	46.4
93.07036	21.0
95.04954	5.5
95.08601	9.1
97.06524	4.0
97.10134	1.9
99.04446	4.4
99.08087	2.2
105.07030	41.8
107.08597	41.8
109.06493	6.8
109.10153	77.5
111.08105	1.6
113.06005	3.5
117.07003	3.0
119.08553	3.3
121.10119	2.1
123.08078	1.4
123.11716	15.9
127.07566	3.4
131.08568	6.0
133.10127	100.0
134.10452	1.4
142.07796	1.6
143.08589	1.9
145.06421	1.6
145.10083	2.2
151.11183	54.3
157.10107	1.6
159.07997	4.6
161.09613	2.8
169.10139	1.7
169.12216	10.4
171.96716	1.2
179.10660	1.6
182.07040	1.5
183.11659	1.9
215.12712	6.5
253.14340	3.5
271.06030	4.4
271.15323	38.0
271.24347	2.2
281.19409	1.5
291.37589	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03936	4.9
55.01863	3.4
55.05508	24.1
55.81686	1.4
57.03440	34.5
57.07070	3.5
65.03930	3.0
66.77873	1.4
67.05502	80.8
69.03412	1.6
69.07065	29.3
70.39932	5.1
71.04988	7.9
74.49348	1.3
79.05492	51.6
81.03400	2.7
81.07058	100.0
83.04974	10.2
83.08623	16.6
85.06541	5.7
91.05482	33.3
91.06015	0.8
92.88692	1.2
93.07041	74.2
95.04452	1.3
95.04976	8.4
95.08607	31.3
97.06522	18.3
97.10170	2.8
98.20856	1.4
99.08080	3.0
105.07011	12.3
107.08595	37.7
109.06489	3.4
109.10159	5.0
111.08072	9.6
113.06029	1.7
117.07007	12.9
119.08576	3.6
121.10159	16.5
123.11668	3.2
125.09615	2.4
129.06949	1.4
131.08577	16.8
133.10129	16.3
135.11696	12.8
145.10083	2.3
147.11688	1.5
149.12048	1.9
149.13249	38.5
151.11192	3.2
157.10014	1.5
159.10471	1.6
159.11710	21.1
171.11719	1.8
177.12691	8.1
185.13286	1.4
195.13834	11.8
269.17358	35.5
269.22214	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03951	3.8
55.01846	4.2
55.05511	21.3
57.03436	33.0
57.07062	5.3
57.40570	1.3
60.52497	1.4
62.64004	1.8
67.05504	84.0
69.03423	2.3
69.07071	29.5
70.74547	3.3
71.04977	6.5
79.05012	1.7
79.05491	48.6
81.07059	100.0
83.04978	9.7
83.08619	22.2
85.06564	7.2
91.05478	24.7
93.07046	69.6
93.07638	3.3
95.04962	9.3
95.08601	30.3
96.34998	1.5
97.06530	16.6
97.10146	2.2
99.08077	4.6
105.07030	9.9
107.08596	40.6
109.06474	3.0
109.10138	6.2
111.08063	9.9
113.06031	1.7
113.09626	2.2
117.07027	9.1
119.08591	5.0
120.71065	1.5
121.06547	2.3
121.10143	25.2
123.08055	1.7
123.11671	3.7
131.00571	1.5
131.08571	14.0
133.10156	10.3
135.08072	2.8
135.11716	12.0
139.11218	3.0
147.11646	2.4
149.13261	47.9
151.11197	2.1
159.11700	18.9
169.02104	1.6
177.12727	8.5
195.13797	10.3
241.56201	1.6
269.17474	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03947	3.7
55.01870	3.1
55.05509	24.4
57.03436	33.9
57.07079	3.6
63.99341	1.6
65.03957	2.6
67.05504	75.5
69.07068	31.1
71.04986	5.4
77.26299	1.4
79.05496	47.3
81.03403	2.2
81.07055	100.0
83.04993	9.2
83.08620	19.1
85.06548	6.0
91.05480	21.2
93.07043	68.5
95.04967	8.9
95.08611	24.7
97.06525	16.3
97.10160	2.1
98.21529	3.8
99.08094	3.8
99.62537	1.9
105.07036	8.5
107.08592	39.0
109.06503	2.7
109.10146	5.4
111.08080	7.3
111.11701	1.5
113.05132	1.5
113.09625	2.0
117.07005	9.5
119.08570	2.4
121.10146	19.1
131.08560	11.4
133.10120	7.9
135.08076	2.7
135.11687	11.9
149.13246	40.5
159.11682	18.4
177.12720	8.3
189.26598	1.6
195.13788	11.3
269.17484	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03938	2.9
53.68685	1.5
55.01850	3.6
55.05265	1.7
55.05513	23.5
57.03438	31.7
57.07057	3.5
65.03936	2.5
67.05505	74.2
69.07063	29.5
69.60821	11.6
70.53591	1.4
71.04977	5.3
79.05492	47.7
81.03423	2.2
81.07055	100.0
82.07354	1.6
83.04987	9.5
83.08615	20.3
85.06519	6.4
91.04969	2.2
91.05486	29.7
93.07044	63.0
95.04970	8.8
95.08603	22.0
97.06541	16.5
97.10157	2.1
99.08072	2.9
99.30891	1.5
105.07018	9.1
107.08597	31.6
109.06524	4.4
109.10141	5.3
111.08073	9.2
113.09711	1.7
117.07000	10.7
121.10143	19.5
123.11693	4.9
131.08572	9.1
133.10129	13.8
135.08150	1.5
135.11708	11.3
149.13271	35.5
151.11154	2.7
151.45108	1.4
159.11688	21.6
177.12737	7.3
195.13791	13.2
220.29387	1.4
232.41641	1.6
269.17465	35.3
269.20126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.22929	1.2
53.03943	4.9
55.01866	3.7
55.04989	1.4
55.05512	26.0
57.03437	33.1
57.07049	1.8
65.03960	1.7
67.05506	74.3
69.07068	25.9
70.97663	3.4
71.04977	6.3
79.05492	55.3
81.03423	2.7
81.07057	100.0
83.04996	7.8
83.08615	17.0
85.06538	5.3
91.04966	2.5
91.05483	30.0
93.07045	70.8
95.04968	9.7
95.08606	24.9
96.25519	1.4
97.06535	17.8
99.08080	2.6
105.07025	11.0
107.08601	33.8
109.06495	1.9
109.10129	4.6
111.08069	9.7
113.09666	1.4
117.07020	11.7
119.08617	1.6
121.06527	1.4
121.10134	16.1
123.11727	4.7
129.07033	1.6
131.08595	13.4
133.10135	16.3
133.99307	1.4
135.11714	11.2
139.11147	1.9
149.13266	37.8
151.43906	1.6
159.11681	20.2
177.12784	8.3
195.13805	10.6
226.56682	1.4
247.27080	1.6
269.17465	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01863	3.8
55.05508	21.3
57.03152	1.9
57.03436	36.1
57.07073	2.5
65.03922	2.2
67.05502	80.5
68.05846	1.4
69.07066	30.1
70.10567	7.1
71.01333	1.5
71.04990	6.5
73.30663	1.5
79.05494	52.3
81.03405	2.2
81.07056	100.0
83.04973	10.8
83.08618	17.3
85.06539	5.3
91.05476	27.2
93.07042	67.0
95.04980	6.8
95.08049	2.2
95.08609	24.0
97.06530	17.0
97.10132	1.7
99.08068	4.8
105.07016	12.4
107.08591	33.8
109.06512	3.4
109.10153	4.9
111.08086	8.3
113.09641	2.1
117.07023	10.5
121.06448	1.7
121.10128	18.6
121.60515	1.2
123.07988	1.5
123.11684	2.9
131.08591	10.8
133.10121	10.9
135.08032	1.5
135.11694	11.7
139.11176	1.5
149.09753	1.2
149.12062	1.9
149.13249	38.0
149.14386	2.8
151.11194	2.1
156.17274	1.2
159.11687	18.7
177.12743	8.4
181.34102	1.2
190.09741	1.2
195.13789	10.6
269.17474	31.4
270.17670	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
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
53.03947	4.6
55.01857	3.2
55.05509	22.6
57.03438	38.8
57.07077	3.6
65.03941	3.0
67.05505	84.4
69.07069	29.7
69.50967	4.6
69.51371	10.3
71.04994	5.2
79.05495	52.9
79.05965	1.9
81.03435	2.2
81.07058	100.0
83.04974	10.5
83.08620	16.9
85.06535	6.2
91.05482	30.0
93.07046	74.5
94.74473	1.6
95.04970	8.7
95.08607	24.9
97.06548	17.8
97.10201	2.7
99.08111	4.0
105.07020	9.5
107.08593	38.0
109.06544	2.9
109.10154	4.9
111.08076	9.4
117.07027	12.7
119.08572	2.6
121.06474	2.3
121.10149	16.6
123.11715	3.5
131.08588	11.1
133.10175	12.0
133.11037	2.4
135.08070	2.0
135.11708	12.5
145.05173	1.4
147.11668	2.1
149.13269	34.2
151.11189	2.3
159.11676	19.6
167.14368	1.8
177.12744	6.9
195.13832	11.4
205.68794	1.8
241.97243	1.6
269.17432	32.6
287.85178	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03923	3.9
55.01851	3.4
55.05259	2.5
55.05508	23.3
57.03439	37.1
57.07070	3.1
65.03943	2.1
67.05502	81.5
69.07069	28.1
69.91769	4.8
69.92182	4.9
71.04986	7.3
79.05488	49.2
81.03439	1.9
81.07052	100.0
82.07378	2.3
83.04963	11.0
83.08611	20.5
85.06539	5.2
91.05476	27.5
93.07037	76.6
94.57847	1.6
95.04965	7.4
95.08612	24.5
97.06528	14.1
97.10179	1.9
98.21513	2.3
99.08094	3.6
105.07009	8.9
107.08591	33.7
109.06507	3.7
109.10143	4.5
111.08089	9.9
117.06983	9.9
119.08531	1.6
121.10139	20.3
123.11673	3.5
131.08591	13.3
133.10133	10.5
135.08052	2.1
135.11687	11.4
136.27646	2.0
139.11148	1.6
144.56154	1.7
147.11679	2.0
149.13246	45.2
150.13609	2.5
159.11697	19.3
162.69765	1.5
177.12744	7.5
179.34705	1.6
195.13815	11.8
206.83864	1.6
207.66690	1.6
213.14876	1.6
269.17471	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	269.1746
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03947	3.8
54.97291	1.2
55.01863	3.2
55.05509	20.8
55.05762	2.3
57.03437	28.7
57.07068	3.9
65.03941	2.7
67.05503	75.2
69.07069	31.7
70.15354	5.6
70.46616	1.0
71.04987	7.1
73.02884	1.6
79.05492	51.2
80.08500	1.2
81.03412	3.1
81.07054	100.0
82.07378	1.2
83.04984	10.2
83.08610	16.6
85.06550	4.8
91.04906	1.5
91.05478	32.2
91.06021	2.5
93.07041	65.7
94.12755	1.3
95.04972	8.4
95.08057	1.9
95.08610	24.9
97.06528	15.4
97.10140	2.3
99.08088	4.1
105.07044	14.1
107.08592	33.6
109.06525	5.0
109.10146	4.5
111.08049	9.3
117.07008	11.2
119.08600	4.1
121.10146	18.4
123.11697	4.7
131.08578	15.0
133.10117	13.9
135.08092	2.3
135.11684	11.4
143.08562	1.9
147.11684	2.4
149.09590	2.1
149.13260	33.8
151.11154	2.3
157.10153	1.8
159.11693	24.7
177.12799	9.4
195.13802	9.1
269.17450	32.2
269.22644	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03948	1.8
55.01861	3.7
55.05510	23.3
55.46709	1.7
57.03439	35.3
57.07066	5.1
65.03954	3.1
67.05505	65.9
69.07067	29.3
69.87037	1.6
70.77458	3.8
71.04999	3.9
79.05493	49.4
81.03420	1.8
81.07059	100.0
82.07400	2.2
83.04961	10.2
83.08620	16.4
85.06532	3.5
91.05477	25.6
93.07047	67.1
93.70383	1.6
95.04967	8.8
95.08605	28.6
97.06525	13.1
98.21377	2.2
99.08070	2.1
105.07026	8.2
106.32373	1.5
107.08595	40.6
109.06509	3.6
109.10191	4.2
111.08083	11.3
113.09660	1.7
115.75981	1.8
117.07024	9.3
119.08584	2.5
121.10141	22.1
123.11710	2.0
131.08540	11.2
133.10117	8.1
135.08057	2.1
135.11684	10.3
139.11143	1.7
147.11717	1.9
149.09601	1.6
149.13257	39.2
159.11700	19.0
177.12761	7.1
195.13792	6.3
237.04933	1.8
240.93373	1.6
269.17416	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.09432	1.6
53.03938	4.4
55.01850	2.2
55.05262	2.4
55.05510	24.0
57.03439	30.2
57.07070	4.5
65.03922	3.3
67.05502	80.1
69.03450	1.7
69.06725	2.5
69.07066	29.3
70.27097	4.8
70.27491	2.7
71.04977	5.4
78.39420	1.6
79.05068	3.3
79.05493	51.2
81.07054	100.0
83.04961	8.0
83.08607	18.3
83.53218	1.7
85.06523	5.8
91.05476	31.1
93.07041	74.6
95.04972	10.4
95.08596	24.9
97.06519	16.3
97.10148	2.2
99.08052	2.4
105.07047	9.3
107.08585	31.2
109.06493	4.5
109.10136	2.6
111.08086	6.5
117.07049	10.9
119.08553	3.5
121.06547	2.4
121.10146	17.8
121.57622	1.8
123.11703	4.3
131.08577	12.9
133.10138	13.1
135.08061	2.0
135.11729	8.9
149.13254	40.4
151.11171	3.9
159.11694	21.4
162.73080	2.0
177.12657	8.3
195.13760	13.6
269.17477	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03932	3.4
55.01862	3.7
55.05267	1.6
55.05513	23.2
55.39923	1.0
57.03439	36.4
57.07072	3.3
65.03929	2.6
67.05505	78.7
69.07067	31.9
71.04661	0.9
71.04997	7.5
71.17414	1.9
79.05493	48.4
81.03421	2.2
81.07059	100.0
82.07396	1.4
83.04986	11.1
83.08617	18.7
85.06538	5.6
91.05486	24.7
93.07047	72.6
95.04972	8.9
95.08613	27.6
95.09178	0.7
97.06529	15.7
97.10148	2.4
99.08110	5.2
105.07024	10.1
107.08596	39.3
109.06499	2.8
109.10148	4.5
111.08080	8.4
111.11661	1.2
117.07007	8.6
119.08567	4.5
121.06476	1.3
121.09319	2.0
121.10146	24.8
123.11721	2.4
125.09652	1.3
127.07549	1.9
131.08592	10.2
133.10120	10.1
135.08098	2.4
135.11707	9.8
139.11159	1.5
147.11604	1.3
149.09631	1.2
149.13257	41.1
150.13504	1.2
151.11128	1.1
157.10088	2.1
159.11688	22.0
161.13116	1.0
177.12788	7.4
195.13828	8.4
253.34044	1.0
269.17441	27.7
269.22598	2.7
285.22134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.97718	0.2
55.01867	0.4
56.05031	0.2
56.96552	0.2
57.03422	0.4
69.03418	0.5
69.75209	0.9
70.06599	0.4
72.08122	0.2
73.02896	0.4
74.06089	0.3
84.08146	0.9
85.02895	0.7
86.09684	0.2
94.04063	0.4
97.02921	0.2
112.07614	0.4
114.42110	0.2
119.03542	0.9
121.08421	0.5
129.10278	0.5
136.06186	100.0
137.04599	0.9
137.06517	0.7
163.03751	0.3
181.51440	0.2
185.72246	0.2
227.97653	0.2
250.12061	0.2
268.10391	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17492	1.3
55.01876	1.7
55.05508	1.9
57.03432	2.1
57.12748	1.2
59.32107	1.2
65.03934	2.1
67.05489	5.0
69.07047	3.1
71.04989	2.2
71.57480	2.5
72.08136	1.4
78.03468	1.4
79.05490	4.6
80.05843	1.3
81.03400	1.5
81.07063	8.1
82.06574	1.5
82.07083	1.2
83.05016	1.7
84.04518	1.5
84.08154	2.9
84.54171	1.3
85.06554	1.6
89.03913	14.3
90.09495	1.3
91.05473	8.8
93.07037	2.3
95.08617	2.8
97.06544	1.5
103.05438	2.1
105.07001	2.2
110.07164	1.6
117.03380	34.0
117.07017	2.0
119.08582	2.4
123.07995	1.6
134.03630	3.7
135.04440	2.9
136.06194	6.1
137.05794	2.4
137.06631	2.7
139.05013	2.9
140.03441	3.4
145.02840	68.0
147.07999	1.6
149.05977	13.9
151.11124	1.4
152.05690	7.1
153.04131	2.9
153.06000	4.4
163.03928	1.6
163.07558	2.3
166.15837	2.0
167.03430	3.5
177.05469	100.0
178.05833	1.4
178.80754	1.5
185.88509	1.4
186.05516	1.2
191.07077	5.9
219.06583	3.6
226.44273	1.4
251.09200	4.8
269.08206	3.1
269.14374	1.9
269.16922	5.2
270.13562	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01868	4.5
55.05515	22.9
57.03188	3.0
57.03435	33.5
57.07087	3.4
61.22634	1.8
64.61472	1.8
65.03924	3.8
67.05501	82.8
69.07067	31.1
70.02657	10.6
71.04977	7.0
71.08624	2.5
75.80666	1.8
77.33096	1.9
79.05489	51.3
81.07052	100.0
83.04969	12.5
83.08611	18.8
85.06543	6.9
91.05474	32.9
93.07040	82.6
93.07613	1.6
95.04985	13.5
95.08601	27.9
95.95369	2.0
97.06509	19.0
97.10143	2.8
99.08077	3.8
105.07016	12.5
107.08594	36.5
109.06521	6.3
109.10146	4.0
111.08083	10.5
117.06992	12.0
119.08548	4.0
119.76746	2.0
121.10139	18.7
123.11687	4.1
131.08546	14.6
133.10106	15.2
135.08093	2.1
135.11659	10.9
145.10124	2.6
147.11621	2.3
149.13252	36.4
159.11699	21.4
171.86876	2.1
177.12689	9.5
195.13725	12.1
269.17337	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1953
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
53.03930	1.6
55.01857	2.3
55.05504	4.4
57.03427	2.3
67.05500	15.5
69.03428	100.0
69.07070	5.6
71.04989	1.4
71.59088	1.7
79.05482	9.2
81.03413	5.9
81.07051	21.0
83.04981	2.1
83.08598	3.1
84.08142	1.4
85.06547	1.4
91.05478	14.4
93.07042	9.9
95.04953	4.0
95.08600	11.7
97.06516	10.3
105.07028	9.7
107.08588	9.4
109.06505	6.3
109.10163	7.3
111.04424	2.4
111.08076	2.7
115.25179	0.9
119.08588	5.8
119.70345	1.2
120.04412	1.1
121.06487	1.6
121.10156	6.0
123.08067	4.9
123.11686	3.0
125.09676	1.4
129.06944	1.3
131.08591	2.1
133.10127	18.2
135.08073	1.5
137.09602	4.4
143.08556	1.6
145.10092	1.4
147.11731	5.0
149.09599	4.1
149.13217	1.8
151.11151	4.8
157.10085	2.2
159.11633	1.1
161.09543	1.1
161.13301	1.3
165.12708	1.0
174.33086	0.9
175.11148	2.2
175.14842	1.3
189.16318	2.2
193.12224	1.2
199.14838	3.0
207.17429	5.4
217.15845	3.9
235.16916	21.5
267.15887	2.8
267.20142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01873	1.7
55.05513	5.6
56.96562	4.1
57.03422	6.7
57.07073	1.1
60.00578	1.1
65.03940	1.3
67.05503	17.8
69.03428	100.0
69.07071	7.8
71.04999	1.5
71.57501	1.3
71.57931	1.8
75.90266	1.0
79.05492	11.7
81.03410	20.7
81.07056	24.5
81.17535	1.0
83.04980	3.1
83.08611	5.9
84.08126	2.7
85.06538	2.6
91.05485	18.4
93.07043	11.0
95.04969	6.3
95.08611	12.7
95.48952	1.3
97.06532	10.9
97.10194	2.2
98.85990	1.0
98.98487	5.9
105.07030	12.4
107.08584	8.1
109.06482	6.3
109.10170	6.3
111.08071	3.2
114.47820	1.3
119.08556	5.9
120.04528	1.5
121.02885	3.2
121.04836	2.2
121.06495	1.8
121.10140	6.5
123.08066	7.4
123.11726	3.0
129.06992	2.4
131.08565	5.4
133.09230	2.0
133.10138	20.5
135.11661	1.6
136.06190	1.6
137.09563	2.8
143.08618	1.1
147.08099	1.2
147.11681	6.4
149.09660	5.2
149.13281	1.5
151.11192	5.5
157.10129	3.1
165.12798	2.4
175.11147	3.2
175.14845	1.9
189.16437	4.5
193.12259	4.3
197.13086	1.3
199.14920	2.0
207.17538	5.2
217.15947	4.9
235.16891	20.9
267.16010	5.9
267.19583	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1953
Annotation	(R*,R*)-4-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
53.03937	1.9
55.01873	1.7
55.05513	5.6
56.96562	4.1
57.03422	6.7
57.07073	1.1
60.00578	1.1
65.03940	1.3
67.05503	17.8
69.03428	100.0
69.07071	7.8
71.04999	1.5
71.57501	1.3
71.57931	1.8
75.90266	1.0
79.05492	11.7
81.03410	20.7
81.07056	24.5
81.17535	1.0
83.04980	3.1
83.08611	5.9
84.08126	2.7
85.06538	2.6
91.05485	18.4
93.07043	11.0
95.04969	6.3
95.08611	12.7
95.48952	1.3
97.06532	10.9
97.10194	2.2
98.85990	1.0
98.98487	5.9
105.07030	12.4
107.08584	8.1
109.06482	6.3
109.10170	6.3
111.08071	3.2
114.47820	1.3
119.08556	5.9
120.04528	1.5
121.02885	3.2
121.04836	2.2
121.06495	1.8
121.10140	6.5
123.08066	7.4
123.11726	3.0
129.06992	2.4
131.08565	5.4
133.09230	2.0
133.10138	20.5
135.11661	1.6
136.06190	1.6
137.09563	2.8
143.08618	1.1
147.08099	1.2
147.11681	6.4
149.09660	5.2
149.13281	1.5
151.11192	5.5
157.10129	3.1
165.12798	2.4
175.11147	3.2
175.14845	1.9
189.16437	4.5
193.12259	4.3
197.13086	1.3
199.14920	2.0
207.17538	5.2
217.15947	4.9
235.16891	20.9
267.16010	5.9
267.19583	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01859	1.5
55.05507	6.2
57.03443	6.8
57.07061	1.3
67.05505	19.7
69.03426	100.0
69.07050	5.5
71.04968	2.6
71.58054	1.1
75.74741	1.0
79.05488	15.0
81.03414	28.3
81.07055	24.1
83.04965	2.7
83.08609	6.5
84.08128	3.7
85.06537	2.4
91.05475	18.3
93.07042	13.7
95.04959	9.3
95.08605	13.2
97.06531	11.2
97.10146	2.1
98.98462	2.1
105.07034	13.9
107.04905	2.0
107.08601	8.8
109.06511	5.0
109.10144	8.6
111.04424	1.6
111.08076	3.9
113.34997	1.3
117.07056	1.4
119.08590	8.7
120.04469	1.8
121.02885	2.6
121.04782	2.5
121.10186	6.6
121.10936	1.4
123.08051	6.9
123.11697	2.6
125.09645	1.8
129.06989	3.2
131.08543	5.6
133.06435	1.4
133.10135	19.5
137.09608	5.5
141.62428	1.3
142.07875	1.6
143.08623	1.2
145.10150	2.2
147.11723	8.4
149.09567	6.5
149.13263	2.8
151.11169	6.0
157.10173	5.9
171.11705	1.7
175.11182	3.6
175.14905	1.8
189.16370	2.6
193.10538	1.3
193.12202	6.3
199.14761	2.7
207.17447	4.1
211.13289	1.8
217.15860	3.8
235.16927	20.0
267.15768	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86760	3.9
53.03945	6.7
55.01870	7.4
55.05502	17.6
57.03436	26.0
57.07090	4.4
63.22457	3.2
67.05499	32.6
69.03450	6.0
69.07056	11.3
70.93313	11.3
71.04971	10.0
72.08138	4.0
75.89716	3.7
79.05510	28.4
81.03417	100.0
81.07056	32.4
83.04996	8.0
83.08609	16.3
84.07645	3.5
84.08145	69.0
85.02877	4.0
85.06564	5.5
88.03996	7.4
88.64327	4.9
91.05470	50.0
92.05830	11.3
93.07043	17.2
94.97483	3.7
95.04976	31.8
95.08598	22.6
97.02869	4.9
97.06543	6.7
97.10190	4.0
98.09701	12.2
98.21257	3.8
102.05553	14.9
103.05952	4.2
105.07018	28.9
107.04950	9.4
107.08567	15.0
109.06503	6.5
109.10136	7.6
111.08098	6.6
113.06024	3.8
114.01925	4.6
115.05492	4.5
119.08591	21.9
121.10148	10.6
124.03970	5.8
127.98209	4.0
128.06218	8.0
129.07018	17.5
131.08594	16.2
133.06512	10.8
133.10130	14.1
142.07773	4.7
145.10086	5.1
147.08026	8.9
147.11681	17.2
148.06056	6.4
149.09598	9.9
151.11276	4.9
153.05402	4.7
157.06534	4.9
157.10158	11.1
159.08119	5.5
161.05977	10.6
165.12898	4.0
167.07098	9.3
175.11172	7.0
193.12274	11.5
205.95064	4.2
224.16441	10.4
249.11220	32.8
249.18388	4.5
267.15820	27.8
267.20889	11.5
280.18124	3.9
284.90073	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	267.159
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
53.03943	4.4
54.56660	0.6
55.01875	2.1
55.05515	6.4
57.03437	18.3
58.56043	0.7
65.99197	0.7
67.05504	12.7
69.03427	1.9
69.07082	2.6
70.18351	2.3
70.18766	1.4
71.05006	1.6
77.17628	0.7
79.05067	1.0
79.05496	12.6
79.22955	0.6
81.03419	100.0
81.07056	12.7
83.04971	4.9
83.08619	13.9
84.73338	0.7
85.06559	0.7
90.40800	0.7
91.05482	17.5
93.07050	7.2
95.04967	21.6
95.05565	1.4
95.08591	4.2
97.02909	2.9
97.06540	1.9
97.10156	1.4
105.07032	13.9
107.04955	5.0
107.08574	3.9
109.06501	2.6
109.10155	1.4
111.04489	1.0
111.08081	5.5
115.05435	0.9
117.06985	1.2
119.08586	11.0
121.06485	2.4
121.10132	5.4
123.08058	1.4
124.32275	0.7
128.06161	0.8
129.07011	8.3
131.08577	6.0
133.06499	1.1
133.10159	3.6
137.09605	1.3
142.07785	2.6
145.10147	0.9
147.08032	2.0
147.11682	8.5
149.09624	4.1
157.10146	9.0
163.11176	0.7
165.12779	2.2
175.11192	8.7
193.12248	16.8
194.12646	0.8
211.13271	1.6
249.14983	0.8
267.15903	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	266.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35478	0.2
60.35576	0.2
65.03931	1.9
69.03427	0.3
69.30892	0.4
69.31292	2.5
71.61775	0.2
79.05482	0.4
83.04961	0.4
85.02901	0.4
92.05000	10.5
106.06560	0.3
110.06003	0.4
111.04431	0.5
118.06496	0.3
120.04460	100.0
121.02894	0.5
121.04791	0.9
132.04491	0.3
134.06009	0.5
138.05504	0.3
148.03944	0.9
160.07549	0.2
162.05540	0.5
171.73216	0.3
184.07579	2.1
204.06664	0.6
212.07043	2.2
230.08081	3.0
234.77370	0.3
266.10211	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
55.24250	0.4
57.03430	0.4
59.04984	0.8
61.02913	0.8
70.84824	0.8
71.04993	2.0
79.05466	0.5
81.07050	3.7
94.04056	1.6
101.22623	0.4
119.03551	2.8
127.28766	0.4
136.06180	100.0
137.04619	2.0
137.06598	0.5
144.51869	0.4
153.70610	0.4
234.13489	18.6
266.16107	37.7
267.16287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.96544	0.5
57.03442	0.6
60.16924	0.4
69.07061	2.1
69.83673	2.5
70.06571	1.2
71.04989	0.4
72.08136	1.5
73.06518	0.5
79.05479	1.6
81.07052	2.4
82.06597	0.5
84.04452	0.4
84.08104	1.1
84.70599	0.4
89.03892	0.5
91.05470	1.0
94.04037	1.1
97.02850	0.6
97.06514	1.8
98.21484	0.5
100.14565	0.4
108.05640	0.6
109.05120	3.7
110.03491	0.7
117.03402	0.4
118.03692	0.6
118.06559	0.6
120.08117	3.1
121.08432	4.3
128.04503	0.5
133.05075	2.6
135.03015	1.6
135.05383	0.7
137.04622	0.4
143.58691	0.4
145.02820	1.1
146.03162	1.7
147.04396	0.6
150.07742	100.0
151.08099	0.7
152.05666	27.3
153.04095	3.8
177.05533	2.0
178.05801	3.1
190.07224	2.0
224.25633	0.4
248.15059	25.4
249.15503	0.5
266.12527	16.2
266.16119	53.8
267.16428	0.8
268.95468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01855	1.4
55.05511	11.3
57.07067	1.8
65.03934	3.5
67.05505	100.0
69.07072	9.7
70.18057	5.1
71.04989	2.5
77.44791	1.2
78.48631	1.1
79.05492	15.7
80.32323	1.1
81.03431	2.4
81.07058	97.7
83.04993	2.3
83.08604	3.2
84.08153	6.4
85.06531	3.6
91.05470	6.0
92.04994	6.5
93.07037	15.5
95.05000	2.0
95.08606	78.9
97.06523	2.3
97.10157	2.5
105.07023	4.7
107.04971	2.0
107.07981	1.2
107.08575	7.6
109.06516	3.2
109.10158	59.6
111.08045	1.4
111.11670	1.1
117.06973	1.4
119.04914	1.3
119.08577	3.6
120.04468	55.6
121.10148	7.0
122.07166	2.6
123.08051	1.9
123.11710	26.6
131.08560	4.3
133.10135	4.6
135.08051	1.7
135.11713	4.7
137.09605	2.2
137.13284	6.1
145.10118	3.4
147.11736	2.6
149.09601	1.3
149.13252	4.0
159.11731	3.8
161.13268	1.2
163.11241	1.9
163.14783	1.3
173.13280	3.2
177.05405	1.2
177.12738	2.3
179.08620	1.3
181.10107	1.6
187.14778	1.4
195.11739	1.5
195.13693	1.5
205.08415	1.2
209.15388	1.9
212.07028	1.6
223.04176	1.2
223.16937	1.6
229.19429	2.1
230.08261	2.3
233.77022	1.3
237.16206	1.4
244.72232	1.2
247.16934	1.5
247.20598	3.4
250.09868	1.4
260.12759	1.1
265.12137	3.6
265.19424	1.3
265.21658	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	265.2161
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03943	2.0
55.01855	1.4
55.05511	11.3
57.07067	1.8
65.03934	3.5
67.05505	100.0
69.07072	9.7
70.18057	5.1
71.04989	2.5
77.44791	1.2
78.48631	1.1
79.05492	15.7
80.32323	1.1
81.03431	2.4
81.07058	97.7
83.04993	2.3
83.08604	3.2
84.08153	6.4
85.06531	3.6
91.05470	6.0
92.04994	6.5
93.07037	15.5
95.05000	2.0
95.08606	78.9
97.06523	2.3
97.10157	2.5
105.07023	4.7
107.04971	2.0
107.07981	1.2
107.08575	7.6
109.06516	3.2
109.10158	59.6
111.08045	1.4
111.11670	1.1
117.06973	1.4
119.04914	1.3
119.08577	3.6
120.04468	55.6
121.10148	7.0
122.07166	2.6
123.08051	1.9
123.11710	26.6
131.08560	4.3
133.10135	4.6
135.08051	1.7
135.11713	4.7
137.09605	2.2
137.13284	6.1
145.10118	3.4
147.11736	2.6
149.09601	1.3
149.13252	4.0
159.11731	3.8
161.13268	1.2
163.11241	1.9
163.14783	1.3
173.13280	3.2
177.05405	1.2
177.12738	2.3
179.08620	1.3
181.10107	1.6
187.14778	1.4
195.11739	1.5
195.13693	1.5
205.08415	1.2
209.15388	1.9
212.07028	1.6
223.04176	1.2
223.16937	1.6
229.19429	2.1
230.08261	2.3
233.77022	1.3
237.16206	1.4
244.72232	1.2
247.16934	1.5
247.20598	3.4
250.09868	1.4
260.12759	1.1
265.12137	3.6
265.19424	1.3
265.21658	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	265.1547
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
70.19870	1.9
72.08155	19.1
76.11627	0.5
89.03912	6.4
89.10794	8.9
91.05483	0.6
96.55298	0.4
98.06067	0.5
111.74143	0.5
115.08686	1.2
117.03377	23.0
134.03639	1.8
135.04407	1.5
137.25700	0.5
145.02846	61.2
146.03229	0.7
149.05991	7.3
158.18668	0.5
161.52188	0.5
163.03880	0.5
177.05470	100.0
178.05815	1.7
180.01410	0.5
184.36305	0.5
186.05563	0.9
248.12775	4.0
265.15488	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	265.1545
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
52.63135	0.5
63.02353	0.8
63.51078	0.5
69.93342	1.8
69.93756	1.0
72.08155	7.6
89.03916	6.1
89.10795	4.7
104.68523	0.6
115.08681	1.6
117.03378	26.4
121.03213	0.5
134.03636	2.4
135.04428	1.4
145.02844	64.0
149.05983	9.0
177.05467	100.0
178.05792	1.2
186.05507	0.9
227.00407	0.7
248.12852	7.3
265.15460	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	265.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53977	0.4
54.03470	1.1
55.01844	1.0
55.05508	1.1
56.05033	2.6
56.96564	5.1
57.03420	1.3
58.06599	0.5
59.06108	0.5
61.01139	1.5
61.02915	1.2
69.03430	2.7
69.07054	0.5
70.06588	4.0
70.80698	1.2
71.04985	0.5
72.08157	6.0
73.02901	1.2
80.05002	1.8
81.03436	0.5
81.04543	17.0
81.05027	0.9
81.07045	0.8
83.04985	0.4
84.04514	1.0
84.08148	5.3
85.02895	2.1
86.09693	1.3
87.04453	0.7
88.03979	1.8
89.03920	1.5
89.10789	2.7
91.05473	1.9
95.04924	0.6
97.02882	1.6
98.06021	0.7
98.97591	3.3
100.07609	0.6
104.05310	1.5
105.00098	4.4
106.00460	0.8
107.04961	0.8
110.07136	1.2
111.05540	0.6
112.08756	0.5
112.99102	0.6
113.02967	1.4
116.07066	1.1
116.98625	3.1
117.03397	5.4
119.01796	1.5
121.01692	1.1
122.07150	100.0
124.07558	0.5
126.03754	2.0
127.03939	1.0
128.98662	0.8
129.10240	0.8
130.05011	0.5
131.00204	1.0
133.01636	0.6
133.03233	1.4
134.99658	1.9
135.08012	0.5
136.06195	2.3
136.07558	0.6
137.05949	0.6
144.04785	30.2
145.01767	0.7
145.02826	12.8
149.01213	2.0
149.06013	2.3
150.05835	1.2
155.04651	0.5
156.03609	0.8
161.01221	0.7
163.02708	3.2
164.05217	0.5
167.02286	0.5
171.07562	0.6
174.98570	0.6
175.02795	1.4
175.11900	0.7
177.00757	0.9
177.02187	1.0
177.05475	24.7
179.02222	0.4
191.04485	1.1
193.03802	0.7
205.03813	0.8
219.01689	0.6
223.04906	1.7
230.04982	0.8
247.04890	0.6
248.08539	0.6
248.12852	1.0
265.06079	1.3
265.08810	0.6
265.11600	3.0
265.15445	3.8
265.19162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01868	13.8
55.05501	19.0
56.96561	19.6
57.03426	15.2
62.77551	4.3
67.05506	39.4
69.03432	6.5
69.07057	17.2
69.78803	9.6
69.79214	24.1
71.04972	15.3
72.08147	8.9
79.05491	27.3
81.03384	5.1
81.07053	53.8
83.04985	31.3
83.08620	10.0
84.08140	41.3
85.02925	10.7
85.06514	9.6
91.05480	47.8
91.87071	4.3
93.07027	43.0
95.04970	18.8
95.08588	35.1
97.02940	6.3
97.06503	9.5
98.09682	9.9
98.97579	9.6
99.08065	5.7
103.05446	11.1
105.07041	26.1
107.04938	7.1
107.08573	37.0
109.06513	14.8
109.10154	22.6
111.04453	5.3
111.08112	11.0
115.05460	37.7
115.16576	4.2
117.03355	8.6
117.07014	57.2
119.04935	4.5
119.08578	32.4
121.10103	28.2
122.07134	16.8
123.08068	13.0
123.11697	13.0
125.09616	10.9
128.06216	7.4
129.07004	9.7
131.04855	5.6
131.08565	27.8
133.06468	6.2
133.10168	27.2
134.99731	4.8
135.08040	7.2
135.11688	11.7
137.02299	5.4
137.09616	9.4
141.07004	6.6
144.05733	6.5
145.02846	18.1
145.06491	98.4
145.10107	14.4
147.04356	5.8
147.07985	7.5
147.11697	9.7
149.01236	6.2
149.09639	10.7
149.13226	7.7
151.03896	6.7
151.11234	8.8
153.01807	5.5
155.06059	15.1
156.05681	19.6
157.06544	11.5
159.08047	18.8
159.11696	10.8
160.05154	6.3
161.01251	8.2
161.05974	10.5
161.13246	6.1
163.11125	8.4
165.12709	5.4
166.07248	20.9
167.05669	7.5
167.07481	13.7
173.04620	8.7
173.05994	100.0
175.01529	11.4
175.07590	8.4
177.05450	28.7
187.07564	21.2
187.14728	10.7
189.01321	5.3
189.67390	4.4
190.06245	51.6
192.07675	4.8
203.06979	16.8
205.08591	77.3
207.02293	5.6
211.14856	7.0
215.12701	6.8
217.08626	65.4
219.10150	11.5
229.15796	6.6
231.02377	6.2
235.09607	5.9
247.09685	10.0
247.16911	11.7
250.06097	5.4
265.08517	10.1
265.10812	8.3
265.14783	5.9
265.18045	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.57056	0.7
53.03946	0.9
55.05510	14.7
57.03431	1.4
57.07074	13.1
58.57436	0.6
65.03929	2.8
67.05502	83.5
68.05826	1.0
69.07062	17.1
69.51781	6.3
71.04984	1.9
71.08624	8.1
79.05493	22.6
80.06250	0.6
81.07053	100.0
83.04976	1.6
83.08615	12.6
85.06536	5.5
85.10167	2.7
91.05480	17.6
93.07042	23.6
95.04961	2.2
95.08601	87.6
96.08926	0.9
97.06517	7.4
97.10152	7.2
99.08090	5.4
100.86800	0.8
103.53275	0.7
105.07028	12.3
107.08594	14.8
107.16158	0.6
109.06516	1.6
109.10149	42.5
111.08077	6.2
111.11699	1.1
113.09651	3.7
119.08578	13.5
121.10139	17.4
123.08062	3.0
123.11702	17.5
125.09640	1.2
127.11148	1.7
127.67683	0.7
131.08670	0.7
133.10129	14.9
135.11682	8.4
137.09630	4.0
137.13231	6.9
139.11163	1.0
141.12733	1.9
147.11681	11.3
149.13274	8.1
151.11195	1.5
151.14812	7.5
155.14325	1.4
161.13252	11.7
163.14836	7.2
165.16357	8.7
175.14783	6.6
177.16393	1.6
179.16609	0.8
179.17909	4.5
181.15756	0.7
189.16335	3.9
194.93745	0.8
203.17993	1.4
217.19441	1.3
219.20967	0.7
245.22652	28.3
246.23091	1.1
263.23694	52.2
264.24008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.05312	1.6
55.05513	16.0
57.03435	2.7
57.07072	11.6
60.52592	1.8
65.03921	2.6
65.08340	1.7
66.93272	1.8
67.05506	87.7
67.60007	1.8
69.07066	19.0
71.08628	6.1
73.77938	1.8
79.05140	1.9
79.05498	20.8
81.07058	100.0
83.05013	2.0
83.08616	14.2
85.06525	5.3
85.10189	2.2
91.05473	18.2
93.07048	29.5
95.08608	85.3
97.06517	9.3
97.10162	4.6
99.08107	6.4
105.07035	11.5
107.08601	12.0
109.10152	42.7
111.08068	5.6
113.09648	2.5
119.08562	9.7
121.10144	16.0
123.08041	5.2
123.11720	17.7
133.10126	15.0
135.11647	9.6
137.09610	3.1
137.13261	6.6
147.11644	10.3
149.13232	8.7
151.14812	6.6
154.02762	1.8
161.13245	12.3
163.14795	8.0
165.16313	10.6
175.14824	3.9
177.16362	2.3
179.17960	3.4
189.16351	3.2
203.18007	2.2
207.83755	2.2
217.19586	2.5
233.13548	1.8
245.22647	31.8
263.23709	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03942	3.1
55.05518	12.1
57.03437	2.3
57.07072	12.1
65.03928	2.2
67.05505	83.0
69.07068	16.4
69.98252	4.8
69.98672	2.7
71.04991	1.7
71.08624	6.0
74.81214	1.1
79.05489	23.7
80.06268	1.4
81.07053	100.0
83.04987	3.2
83.08617	12.7
85.06536	3.0
85.10177	3.4
91.05475	18.5
93.07049	23.7
95.04944	3.6
95.08607	81.9
97.06553	7.7
97.10151	4.8
99.08073	5.5
104.99322	1.3
105.07038	11.0
107.08576	15.0
109.06459	1.9
109.10159	39.4
111.08060	4.6
112.76435	1.1
113.09621	3.1
119.08551	9.5
121.10140	14.8
123.08082	2.6
123.11710	16.6
125.09628	1.8
133.10141	12.7
135.11711	9.0
137.09602	2.7
137.13240	5.3
147.11700	9.6
149.13289	6.4
151.11238	2.4
151.14812	5.8
161.13232	7.2
163.14803	6.1
165.16365	7.4
175.14822	5.6
177.16447	1.4
178.66924	1.4
179.17972	1.9
181.15829	1.2
189.16415	4.1
204.13309	4.0
239.62714	1.3
243.62607	1.4
245.22646	24.6
247.11615	7.5
248.12344	4.9
263.14719	52.0
263.20673	2.4
263.23709	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03940	2.0
55.01876	0.9
55.05512	16.4
57.03432	2.0
57.07080	10.5
63.25983	0.8
65.03932	2.8
66.10939	0.7
67.05503	93.8
68.05847	1.1
69.06722	1.4
69.07066	19.1
69.42817	8.4
71.04968	1.1
71.08628	6.4
73.71024	0.8
78.71896	0.7
79.05489	22.4
81.07053	100.0
82.07347	1.0
83.04985	1.3
83.08618	12.4
85.06548	4.3
85.10184	4.0
91.05478	20.2
93.07043	25.1
95.04938	2.6
95.08604	89.0
97.06004	0.8
97.06519	5.6
97.10166	6.3
99.08102	6.1
105.07024	12.4
107.08585	14.0
109.06506	1.5
109.10152	40.1
111.08066	4.2
113.09622	3.1
119.08572	11.4
121.10145	15.1
123.08061	1.7
123.11706	16.9
125.09640	0.8
127.11237	1.0
133.10130	14.7
135.11673	7.3
137.09636	1.4
137.13235	6.3
139.11108	1.1
141.12788	2.1
147.11697	10.1
149.13252	7.7
151.11185	1.0
151.14833	7.3
155.14345	1.1
161.13242	10.0
163.14850	7.3
165.16353	7.4
167.14400	1.3
169.29382	0.8
175.14810	7.5
177.16431	2.2
179.17903	3.0
181.15927	1.6
182.65450	0.8
189.16370	2.3
203.94397	0.9
217.07483	1.0
245.22652	28.5
246.22943	0.8
263.23703	48.3
264.24002	1.4
274.74316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05503	18.0
57.07072	33.6
67.05499	91.8
69.07072	25.1
70.88852	16.3
71.08611	9.3
79.05482	26.7
80.61678	5.1
81.07047	100.0
83.04971	5.7
83.08599	12.3
85.06554	9.8
88.81779	4.9
91.05479	37.9
93.07043	37.3
95.04961	6.7
95.08600	82.9
97.06540	14.3
97.10159	10.9
99.08079	7.3
105.07050	27.6
107.08597	25.8
109.06458	5.8
109.10151	44.5
110.07171	6.4
111.08044	6.2
112.19536	4.8
119.08588	30.1
121.10143	19.0
123.08041	6.1
123.11700	20.8
133.10127	35.1
135.11676	17.6
136.08653	7.4
147.11693	21.1
149.13261	16.4
151.14803	8.3
161.13249	15.4
163.14839	15.6
165.16440	6.1
165.33481	5.1
175.14876	10.9
189.16417	7.3
245.22659	56.3
263.23709	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	263.2004
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03930	4.6
55.01860	9.0
55.05509	42.8
57.03428	6.8
57.07059	7.7
65.03934	4.9
67.05502	97.4
69.03425	12.2
69.06789	2.3
69.07069	27.1
71.04990	9.9
79.05490	69.6
81.03397	8.0
81.07053	77.2
83.04958	8.2
83.08623	17.0
85.06522	2.8
85.61838	2.0
91.05479	48.5
93.07045	92.0
95.04974	18.2
95.07995	3.9
95.08603	79.4
96.88013	2.2
97.02895	4.3
97.06516	8.3
97.10170	10.0
98.20766	4.1
99.04435	2.6
99.08069	3.8
105.06394	2.6
105.07034	32.7
107.04936	2.7
107.08589	47.1
109.06542	10.8
109.10159	50.2
111.08081	5.2
117.07000	11.6
119.08582	29.1
121.06493	8.0
121.09320	3.2
121.10144	44.4
123.08088	10.7
123.11683	8.7
125.09625	5.3
129.06987	6.9
131.08578	9.7
133.10130	21.7
135.08070	7.1
135.11678	32.2
137.09612	18.8
137.13249	3.9
143.08557	6.4
145.10100	6.9
147.08057	2.6
147.11691	19.1
149.09578	6.8
149.13225	10.6
151.11162	4.4
157.10146	5.7
159.11693	6.3
161.09683	3.1
161.13242	7.1
163.11171	4.3
163.14842	2.9
165.09074	3.5
171.11661	5.6
173.11717	7.0
175.11180	4.3
175.14871	3.9
185.13223	5.0
187.14801	2.2
189.12700	3.6
193.12195	2.4
195.13763	4.9
203.17953	4.9
217.19450	5.9
227.17921	5.5
245.18970	16.3
245.22789	4.8
247.11641	3.7
263.14490	12.7
263.20059	100.0
263.23553	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	263.2006
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03931	5.1
53.89562	2.2
55.01872	78.9
55.05511	29.0
57.07054	4.8
59.04999	2.6
64.40311	2.3
65.03944	2.9
67.05505	76.3
69.03416	3.4
69.07066	47.3
71.04972	5.2
71.58875	2.5
79.05495	84.4
80.05833	2.9
81.03413	4.9
81.07056	89.3
83.04971	10.3
83.08615	15.5
84.08126	3.2
85.06546	5.6
91.04905	3.8
91.05480	66.1
93.07042	100.0
95.04979	20.0
95.08608	59.6
97.06529	97.7
97.07149	5.3
97.10149	4.9
99.08086	5.3
104.99257	3.0
105.07027	47.2
107.07861	4.7
107.08589	67.5
109.06499	8.6
109.10163	23.9
111.08051	2.6
117.07052	5.2
119.08578	32.1
121.10141	60.3
123.08056	9.3
123.11707	12.3
125.09616	5.0
128.06166	2.7
128.78378	2.2
129.06982	5.4
131.08559	9.1
133.10129	50.3
135.08061	3.3
135.11679	37.5
137.09656	7.2
137.13246	3.0
143.08507	5.0
145.10144	7.3
147.07983	3.2
147.11682	24.8
149.09557	7.0
149.13287	15.6
151.11136	11.8
157.10136	7.4
159.11710	5.0
161.09676	4.3
161.13257	11.1
163.11235	2.6
165.12756	5.8
171.11668	4.6
175.11121	6.0
175.14716	2.9
185.13100	3.4
187.14886	3.0
189.12827	3.8
189.16412	9.5
203.17969	4.5
213.16362	7.0
217.19574	6.1
227.17973	3.0
231.17505	7.8
233.13297	2.7
235.20633	7.8
245.19034	5.8
263.16968	3.8
263.20071	77.5
263.23557	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	263.2004
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
51.02387	3.0
53.03942	6.7
55.01871	91.2
55.05513	34.9
57.03419	2.7
59.37790	3.1
67.05501	79.0
67.33064	2.7
69.03426	4.8
69.07067	53.2
69.60033	19.4
71.04994	4.4
72.49357	2.5
79.05490	80.4
81.06580	6.6
81.07053	94.9
83.04987	16.8
83.08625	10.9
85.06548	4.6
91.04909	3.4
91.05481	61.4
93.07037	91.4
95.04969	17.9
95.08053	4.8
95.08607	57.7
97.06525	100.0
97.10136	4.9
105.07032	42.1
107.04942	5.2
107.08587	77.8
109.06513	11.3
109.10171	27.5
111.08083	5.1
117.07011	6.2
119.08582	32.0
121.06467	4.5
121.10139	63.1
123.08071	8.3
123.11700	11.3
125.09633	10.4
129.07071	6.1
131.08583	9.1
133.10118	50.1
135.08078	5.5
135.11685	35.4
137.09633	8.4
137.13329	3.1
139.07608	3.6
143.08557	5.0
145.10094	7.2
147.11710	27.4
149.09621	13.4
149.13275	13.6
151.11197	15.3
157.10100	9.2
159.11777	4.6
161.13226	7.9
163.11250	3.1
165.12743	7.1
171.11731	7.6
175.11160	7.1
175.14830	4.7
185.13303	3.7
189.12703	3.6
189.16393	8.3
203.17976	5.0
213.16408	4.9
217.19518	7.5
221.13216	4.1
231.17416	8.1
235.20546	10.2
245.18939	7.0
261.02875	3.2
263.20090	84.5
263.23181	5.1
276.33334	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	263.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.1
53.89562	2.2
55.01872	78.9
55.05511	29.0
57.07054	4.8
59.04999	2.6
64.40311	2.3
65.03944	2.9
67.05505	76.3
69.03416	3.4
69.07066	47.3
71.04972	5.2
71.58875	2.5
79.05495	84.4
80.05833	2.9
81.03413	4.9
81.07056	89.3
83.04971	10.3
83.08615	15.5
84.08126	3.2
85.06546	5.6
91.04905	3.8
91.05480	66.1
93.07042	100.0
95.04979	20.0
95.08608	59.6
97.06529	97.7
97.07149	5.3
97.10149	4.9
99.08086	5.3
104.99257	3.0
105.07027	47.2
107.07861	4.7
107.08589	67.5
109.06499	8.6
109.10163	23.9
111.08051	2.6
117.07052	5.2
119.08578	32.1
121.10141	60.3
123.08056	9.3
123.11707	12.3
125.09616	5.0
128.06166	2.7
128.78378	2.2
129.06982	5.4
131.08559	9.1
133.10129	50.3
135.08061	3.3
135.11679	37.5
137.09656	7.2
137.13246	3.0
143.08507	5.0
145.10144	7.3
147.07983	3.2
147.11682	24.8
149.09557	7.0
149.13287	15.6
151.11136	11.8
157.10136	7.4
159.11710	5.0
161.09676	4.3
161.13257	11.1
163.11235	2.6
165.12756	5.8
171.11668	4.6
175.11121	6.0
175.14716	2.9
185.13100	3.4
187.14886	3.0
189.12827	3.8
189.16412	9.5
203.17969	4.5
213.16362	7.0
217.19574	6.1
227.17973	3.0
231.17505	7.8
233.13297	2.7
235.20633	7.8
245.19034	5.8
263.16968	3.8
263.20071	77.5
263.23557	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	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03940	7.6
55.01860	9.5
55.05513	35.8
57.03424	5.0
57.07078	4.8
62.09887	3.2
65.03925	2.9
67.05506	85.3
69.03422	11.3
69.07064	22.2
71.04999	6.7
79.05063	4.6
79.05495	64.3
81.03423	14.3
81.06584	4.1
81.07059	63.6
83.04969	8.3
83.08611	17.4
84.08175	2.5
85.06525	4.9
91.05483	43.6
93.06477	5.3
93.07045	88.7
93.07634	4.7
95.04975	22.3
95.08611	93.8
97.02884	5.5
97.06527	9.0
97.10162	7.2
100.19210	2.8
105.07033	27.6
107.04957	4.9
107.08613	43.5
109.06528	9.5
109.10158	38.4
111.08036	5.9
114.95752	2.7
117.07020	7.1
119.08574	27.5
121.06517	6.5
121.10139	34.9
123.08028	12.9
123.11699	9.1
125.09652	4.6
129.06976	5.4
131.08554	10.4
133.06433	3.8
133.10138	25.8
135.08051	7.9
135.11674	27.7
137.09625	18.6
143.08569	2.6
145.10091	5.8
147.08040	4.2
147.11670	17.3
149.09621	4.5
149.13316	12.8
151.11163	3.0
155.64088	2.5
157.10129	6.6
159.10237	2.8
159.11746	4.5
161.13255	7.8
163.14894	3.4
165.09114	6.5
171.07950	2.8
171.11662	6.2
173.11766	6.9
175.14804	2.9
185.13211	4.4
189.16486	3.2
193.12308	3.5
195.13683	3.5
217.19479	5.7
227.18056	4.2
245.19099	12.8
245.22684	5.9
263.20074	100.0
263.23584	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20198	8.9
61.00687	9.9
67.00741	9.7
70.18413	38.5
79.77060	10.9
84.08138	40.9
97.39554	9.8
100.64548	10.4
101.00853	16.1
119.01926	57.2
122.93789	11.4
128.17513	10.6
131.01933	19.4
143.01884	16.1
161.02928	100.0
173.02937	29.4
191.03969	22.7
235.12938	16.0
263.01587	28.8
263.06104	17.6
281.13470	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	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12785	54.1
71.09940	100.0
76.42896	49.7
87.32126	58.8
100.08498	60.3
180.55865	50.8
192.49467	63.9
262.15692	51.2
263.01672	90.0
273.64758	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1386
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
53.03931	0.8
55.01856	0.6
55.05497	1.5
56.05011	0.8
56.66040	0.8
58.99591	0.8
59.07699	0.6
67.05489	2.1
69.03412	0.9
70.06591	44.4
70.61094	0.6
71.58098	1.1
72.08152	3.3
73.64858	0.6
77.03898	0.7
79.05479	0.6
81.03428	1.2
81.07068	1.6
84.04502	1.2
84.08149	7.7
86.09698	2.6
91.05467	2.3
93.07053	3.3
95.04978	0.6
95.08560	0.6
98.06033	0.6
98.09662	1.4
103.05466	8.6
105.03393	1.8
105.07037	1.7
107.04974	0.7
107.08608	0.8
110.07207	0.7
114.95322	0.6
115.08666	1.0
116.01640	0.8
116.07090	75.3
117.06991	0.8
119.08594	1.1
120.08104	100.0
121.08440	1.3
123.08136	0.7
129.07018	0.9
130.05016	0.6
130.06558	0.9
133.02846	6.3
134.06006	2.5
161.05849	0.7
166.15932	0.7
191.08308	0.6
192.15540	0.6
193.10150	1.0
196.45798	0.7
203.11911	0.9
204.10204	4.6
217.09590	0.6
231.62923	0.7
245.12962	1.1
246.12358	1.1
262.25903	0.7
263.14252	7.8
263.17953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.05511	57.7
56.05028	2.0
57.98787	1.3
58.99586	46.5
61.01139	2.8
61.76583	0.5
67.42797	0.6
69.99328	1.2
69.99724	1.8
70.06583	1.4
71.04987	1.5
72.08144	1.2
73.01144	4.2
75.31618	0.7
76.04008	6.4
81.74823	0.6
83.08617	34.3
84.04498	0.8
84.08129	2.5
86.09743	0.7
86.99050	31.0
88.02209	9.3
88.03997	0.8
98.20838	1.0
104.05315	2.5
107.04935	0.9
116.01675	100.0
116.08193	0.9
116.98607	0.6
119.01679	1.2
119.04974	0.6
120.08109	1.5
123.08092	0.8
130.05035	0.7
130.06506	1.2
144.01143	42.6
147.04407	1.9
150.07828	1.0
159.08406	0.9
162.02199	65.5
163.02438	0.9
165.55934	0.6
192.03957	0.8
214.08644	1.5
230.14015	8.6
244.09714	1.0
262.10861	2.8
262.14362	2.4
262.16760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1804
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
57.07077	1.7
67.35368	0.4
69.03407	0.7
69.47146	3.4
70.06590	3.9
71.08630	0.7
87.04470	36.1
88.07635	3.7
100.73724	0.4
106.08687	0.6
114.09151	1.1
118.05699	0.8
118.06545	14.5
119.07333	0.7
132.08087	4.8
132.10207	5.0
133.08859	2.1
133.78662	0.4
134.09665	1.0
146.09639	5.1
147.10429	0.7
150.11305	3.7
160.11246	0.9
161.57646	0.4
176.14351	87.4
177.14690	1.9
206.12959	0.5
218.21115	0.9
262.18024	100.0
262.23767	19.5
263.18423	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1802
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
56.05031	0.4
56.55244	0.4
56.94019	0.4
63.61776	0.3
65.34348	0.4
69.03407	0.5
69.67896	2.3
70.06593	0.5
70.76889	0.3
80.32057	0.3
81.07014	0.4
87.04465	30.9
91.05486	0.4
93.00439	0.4
98.20776	0.7
105.06989	0.4
118.06538	16.0
119.07368	0.6
119.08565	0.4
120.08144	0.5
125.85610	0.4
132.08080	3.2
132.10254	0.6
133.08873	1.1
134.09656	1.0
146.09622	4.2
147.10405	0.7
160.11238	0.4
176.14339	85.5
177.14711	1.1
236.19518	0.4
262.18005	100.0
262.23721	3.1
263.18341	2.6
267.37747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.2
55.01852	1.4
55.05264	1.9
55.05507	22.5
57.03435	1.6
57.07061	6.3
60.43083	1.4
65.03932	3.8
67.05501	62.6
69.07065	18.0
71.05003	2.5
71.08615	2.4
79.05490	84.5
81.03390	1.6
81.07053	66.7
83.04979	1.4
83.08619	9.4
85.06513	5.0
90.62079	1.7
91.05475	42.5
93.07037	100.0
93.11128	1.5
95.04957	9.5
95.08601	43.6
97.06506	4.0
97.10139	3.1
98.20606	1.5
99.08057	4.3
105.04503	2.1
105.07019	24.1
107.08587	68.1
109.06479	4.2
109.10140	17.5
111.08118	3.8
117.07027	8.8
119.07797	2.1
119.08572	22.7
121.10142	48.8
123.08018	3.3
123.11681	3.9
125.09583	2.3
125.68767	1.9
129.06996	1.6
131.08562	20.7
133.10123	19.1
135.10680	2.9
135.11679	39.8
137.09621	3.3
144.66988	1.4
145.10129	19.1
147.11682	14.4
149.13260	28.0
151.11081	1.8
159.11685	12.5
161.13240	14.3
163.14827	22.5
165.12720	2.3
173.13272	15.7
175.14816	5.4
175.57555	1.4
177.16348	5.9
187.14835	8.9
192.20581	1.5
201.16415	3.0
215.17924	3.5
233.22572	2.5
243.21049	36.8
261.22122	93.2
262.14322	2.9
262.22522	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	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35519	1.0
52.28712	1.0
53.03946	3.9
55.01872	1.6
55.05510	15.6
57.07072	5.4
57.72775	1.3
61.86251	0.9
65.03922	1.7
67.05502	55.2
69.07072	15.0
69.36307	2.1
69.36706	9.0
71.04970	2.9
71.08610	1.9
78.04700	1.2
79.05490	74.3
81.07052	66.1
83.04984	1.4
83.08617	11.4
85.06562	5.2
91.04900	1.3
91.05477	36.4
93.07040	96.6
94.07301	1.2
95.04977	8.6
95.08604	46.2
97.06525	4.7
97.10164	4.4
97.75092	1.1
99.08102	5.0
105.07021	25.8
107.08593	59.1
109.06540	2.8
109.10155	18.8
111.08057	2.8
111.11659	1.3
113.09637	1.3
117.06995	9.4
119.08581	20.0
121.06554	1.3
121.10137	56.0
122.01476	1.1
123.08057	2.2
123.11678	6.7
129.06970	1.3
131.08568	19.4
133.10126	16.7
134.10536	1.0
135.08072	1.1
135.11684	42.5
137.09541	1.0
137.13242	1.6
143.38626	1.2
145.10106	18.5
147.11674	14.4
149.09639	2.9
149.12045	1.5
149.13251	30.1
151.11166	1.5
151.14841	1.7
153.12796	1.4
153.63570	1.1
153.83435	1.1
159.10432	1.7
159.11687	15.8
161.13269	15.2
163.14812	28.0
165.12732	2.5
173.13261	11.7
175.14825	4.8
175.87347	1.1
177.16374	6.7
179.14284	2.6
187.14841	10.0
187.16353	1.7
191.14308	1.4
201.16399	3.9
205.14098	2.0
205.15868	1.5
215.17981	2.7
231.67731	1.1
233.22621	1.1
243.21080	38.1
261.03870	1.9
261.22128	100.0
262.22363	2.3
268.77142	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02346	1.7
53.03946	5.8
55.05510	19.1
57.07072	6.2
65.03929	2.8
67.05503	59.4
69.06728	1.7
69.07064	19.4
69.56913	9.6
71.04977	2.6
71.08617	2.0
79.05492	77.5
81.03398	1.4
81.07053	73.3
83.04944	1.8
83.08614	8.6
85.06519	4.4
87.87058	1.2
91.04903	1.7
91.05479	47.5
93.07042	100.0
95.04971	9.7
95.08604	44.9
97.06504	5.5
97.10165	4.0
98.20752	2.3
99.08084	4.1
105.04475	1.4
105.07027	29.6
107.08591	62.0
109.06504	2.5
109.10165	19.4
111.08070	4.4
114.97642	1.1
117.07008	9.3
119.08576	20.2
121.10141	59.3
123.08048	2.0
123.11687	4.3
126.31302	1.1
129.07004	1.5
131.08574	22.5
133.10121	18.4
134.23770	1.2
135.11696	41.2
137.09621	3.3
137.13225	2.1
145.10124	20.7
147.11691	13.6
149.09601	1.6
149.13254	29.6
159.11674	13.7
161.13258	14.9
163.14813	26.2
173.13269	11.1
175.14873	6.4
177.16399	6.6
179.14359	3.2
184.49663	1.1
187.14799	10.9
189.16359	2.0
201.16393	4.4
217.19514	1.6
233.22681	1.6
243.21085	38.3
249.17467	1.1
261.22134	94.0
262.14432	1.5
262.22504	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	3.6
53.78045	1.1
55.05268	1.4
55.05513	17.9
57.03426	2.1
57.07060	4.7
65.03942	2.5
67.05504	55.9
69.07064	16.6
69.31827	12.9
71.04980	2.4
71.08635	2.1
79.05492	82.6
81.07053	65.3
83.04959	2.3
83.08624	8.9
85.06548	6.0
91.04909	1.2
91.05482	38.1
93.07043	100.0
94.07431	1.3
95.04984	8.7
95.08606	42.4
97.06525	4.8
97.10117	3.2
99.08075	3.7
105.04494	1.8
105.07027	24.7
105.50036	1.4
107.08591	61.3
109.06512	2.7
109.10158	16.0
111.08082	4.7
113.09650	1.4
117.07038	8.0
119.08577	19.3
121.10136	52.1
123.08067	2.9
123.11684	6.1
130.07793	1.2
131.08563	17.7
133.10120	17.0
135.11690	39.2
137.09592	2.4
137.13213	2.3
145.10110	18.8
147.11697	12.1
149.13258	33.0
151.11156	1.8
151.14815	1.3
159.11717	15.5
161.13264	12.2
163.11174	1.5
163.14821	23.6
165.12711	2.0
173.13249	13.7
175.14851	6.6
177.16406	5.9
179.14404	1.6
187.14830	9.2
194.75607	1.2
201.16408	3.7
223.10141	1.1
233.22606	1.5
243.21082	36.2
261.22141	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02376	0.9
53.03930	3.8
55.01852	2.0
55.05271	1.0
55.05515	17.4
56.96569	1.2
57.03434	1.5
57.07078	7.5
57.47383	0.7
65.03938	1.4
67.05505	56.3
69.07069	16.0
70.98103	1.6
70.98487	1.7
71.04988	1.9
71.08634	4.6
77.03877	0.9
79.05495	88.0
81.07058	58.9
82.63028	1.0
83.04976	0.8
83.08617	8.0
85.06554	5.1
85.10165	2.0
91.05482	44.2
92.05788	0.9
93.07044	100.0
95.04981	10.3
95.08610	43.6
97.06524	4.9
97.10155	2.5
99.08087	5.2
105.04517	1.6
105.07034	29.4
107.08598	60.2
109.06525	4.6
109.10156	15.2
111.08069	3.9
111.11705	0.8
113.09639	2.9
117.07018	11.5
119.08581	18.0
121.10145	47.2
123.08028	2.0
123.11737	4.6
125.09668	1.2
129.06938	1.2
130.07857	1.3
131.08577	22.4
133.07701	0.9
133.10138	13.6
135.08072	1.5
135.11688	35.6
137.09595	2.6
137.13213	2.6
143.08487	1.1
145.10123	20.8
147.11697	12.6
149.09602	3.4
149.13263	26.1
151.11188	1.4
151.14868	1.6
153.12712	1.1
159.11684	11.9
161.13246	10.3
163.11143	1.1
163.14828	17.5
173.13263	11.5
175.14838	5.0
177.16422	6.0
179.14369	1.8
187.14836	9.1
193.15956	0.9
201.16463	4.0
215.17970	1.4
216.98050	0.9
217.19490	1.4
219.17464	1.3
233.22656	2.6
243.21095	28.7
261.22153	69.8
262.22348	1.8
275.96133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
55.01872	1.8
55.05511	16.8
56.98930	1.2
57.03428	1.7
57.07068	6.9
57.07301	1.0
62.36311	1.0
65.03928	2.6
67.05506	52.4
69.07069	14.2
70.06130	5.1
71.04994	1.6
71.08614	2.8
77.03904	1.4
78.48722	1.0
79.05494	80.3
81.07058	55.5
83.08620	6.7
85.06528	4.0
85.10188	2.2
91.05481	41.3
93.07043	100.0
95.04964	9.9
95.08607	41.2
97.06524	4.8
97.10191	2.7
98.20854	1.5
99.08089	5.2
105.04510	1.6
105.07031	23.8
107.08593	56.6
109.06503	4.6
109.10155	12.4
111.08073	3.0
111.11625	1.1
113.09628	2.4
115.04539	1.1
117.07005	10.6
119.06057	0.9
119.08589	17.5
121.10146	40.1
123.08089	1.6
123.11692	4.8
125.09650	1.1
129.07030	1.2
131.08572	20.9
133.10130	15.4
135.08064	2.0
135.11691	32.6
135.88397	1.2
137.09653	1.4
137.13255	1.5
145.10133	16.4
147.11682	11.0
149.09613	2.8
149.13260	25.6
149.14381	2.0
159.11716	13.2
161.13264	9.6
163.14835	15.1
173.13258	11.9
175.14813	4.6
176.32796	1.1
177.16414	5.3
179.14288	2.1
187.14789	8.5
201.16418	2.5
215.17966	1.9
233.22641	3.0
243.21078	27.6
248.39423	1.0
261.03604	1.1
261.22144	67.7
262.22382	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
51.19883	0.8
53.03951	4.8
55.05272	1.4
55.05511	18.5
57.03428	1.5
57.07084	5.6
64.27042	0.9
65.03927	3.3
67.05503	60.0
69.06727	1.3
69.07066	17.6
69.86940	5.2
71.04987	3.9
71.08635	1.7
79.05491	81.7
81.07056	66.3
81.07758	1.3
83.04963	1.3
83.08611	8.8
85.06544	5.9
85.10182	1.0
88.86041	0.9
91.04891	1.6
91.05478	41.6
93.07040	100.0
95.04979	10.8
95.08604	46.4
97.06519	3.4
97.10161	3.4
99.08089	4.8
99.82255	1.0
105.04540	2.3
105.07027	26.9
107.08591	57.8
109.06521	3.3
109.09457	1.7
109.10158	21.5
111.08043	4.7
117.07004	10.6
119.07800	1.8
119.08580	22.1
121.10140	53.4
123.08091	2.4
123.11732	4.7
123.12508	1.0
125.09631	1.5
130.07729	1.4
130.84819	1.0
131.08565	21.8
133.10127	18.5
135.08025	1.2
135.11685	48.4
137.09604	2.4
137.50156	1.0
145.10138	20.9
147.11687	13.6
149.09648	1.3
149.13251	34.2
150.13628	1.3
151.11227	2.1
151.14745	1.3
157.90053	1.2
159.11694	12.3
159.67657	0.9
160.14957	1.2
161.13248	14.8
163.11238	1.2
163.14818	24.3
165.12650	1.4
173.13257	14.6
175.14842	6.7
177.16379	5.2
179.14311	2.4
187.14809	8.9
201.16351	3.8
205.15974	1.1
215.17984	2.0
219.17387	1.4
233.22490	1.3
243.21072	34.5
244.21346	1.4
261.03824	1.2
261.22128	98.4
262.22443	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03941	3.7
55.01868	1.0
55.05509	18.1
57.03435	2.0
57.07072	5.4
63.02349	0.6
65.03926	2.0
66.44952	0.7
67.05501	56.0
68.14626	0.6
69.07064	17.1
71.04993	3.7
71.08630	1.3
77.03884	1.1
79.05490	76.3
80.37678	0.7
81.07052	64.1
83.05003	1.2
83.08612	9.5
85.06546	5.1
91.04615	0.8
91.05473	42.1
93.07038	100.0
95.04967	9.4
95.08601	44.0
96.24518	0.6
97.06522	4.3
97.10143	3.3
99.08103	4.3
104.06980	0.7
105.04540	1.3
105.06303	0.9
105.07027	24.7
107.08590	60.4
109.06504	3.6
109.10152	17.3
111.08083	4.3
111.11700	0.8
113.09608	1.6
115.05428	1.0
117.07006	8.3
119.07708	0.8
119.08576	21.0
121.10134	53.4
122.10545	0.8
123.08093	1.6
123.11677	6.6
125.09582	1.7
127.11139	0.7
131.08560	21.3
133.10129	16.8
135.11684	45.4
137.09633	1.8
137.13225	2.1
139.11131	1.1
145.10120	19.6
147.11694	13.9
149.09593	1.2
149.13251	34.1
151.11189	1.4
151.14822	0.9
153.12743	1.2
159.11685	13.2
161.13252	15.3
163.11255	0.7
163.14815	24.0
165.12750	2.1
173.13263	11.3
175.14818	6.3
177.12764	0.7
177.16396	6.1
179.14305	2.2
185.13292	0.9
187.14775	9.0
189.16434	1.1
191.14154	0.6
193.15802	0.7
201.16301	3.9
203.17920	0.6
205.15840	1.2
215.17944	2.5
217.19568	0.7
219.17378	1.0
227.52904	0.8
230.11285	0.7
233.22615	1.1
243.21068	33.6
244.21463	0.7
249.59261	0.7
261.22122	91.6
262.22385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03941	3.7
55.01857	1.5
55.05514	17.7
57.03428	1.9
57.07076	9.9
63.26746	1.4
65.03925	2.6
67.05502	52.9
67.10594	1.5
69.07072	18.8
71.04989	2.0
71.08636	3.4
79.05492	65.7
81.07053	65.5
83.04939	2.4
83.08605	8.8
85.06535	5.4
85.10159	1.9
88.75346	1.5
91.05477	48.9
93.07040	100.0
95.04974	11.3
95.08607	47.9
97.06544	10.0
97.10171	3.7
99.08073	4.6
101.98866	1.5
105.07028	37.7
107.08591	58.5
109.06514	5.7
109.10151	21.8
110.05046	1.5
111.02322	1.9
111.08086	4.5
117.07022	14.5
119.08568	25.2
121.06502	2.1
121.10144	44.1
123.08022	5.0
123.11657	8.1
131.08562	41.5
133.10127	19.8
135.08109	2.6
135.11716	34.5
137.09598	3.7
137.13280	2.5
140.64270	1.6
145.10117	34.4
147.11685	21.8
149.09592	3.9
149.13263	25.4
151.14816	2.6
159.11694	22.8
161.13258	16.0
163.14841	15.9
172.10551	1.8
173.13243	22.2
175.13463	1.6
175.14833	7.6
177.12766	2.1
177.16379	7.5
179.14368	2.2
187.14824	13.9
189.16414	2.6
199.36143	1.7
201.16393	6.4
215.18039	4.5
217.19475	6.9
226.98485	1.7
229.23827	1.8
233.22704	2.6
243.18977	2.2
243.21080	74.7
261.22147	91.0
262.14395	3.0
262.22397	2.7
266.56137	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44474	0.4
55.05510	0.8
60.05642	1.0
63.67782	0.4
68.85481	0.4
69.03432	0.4
69.07054	0.8
69.46449	3.8
70.06595	0.6
72.08150	6.7
79.71187	0.4
81.07084	0.5
85.02905	0.5
86.09686	0.6
89.08916	0.4
91.05466	0.8
93.07034	0.5
95.04955	0.5
97.07635	2.3
98.06042	1.4
98.20759	0.9
100.11259	0.9
103.05459	16.1
105.07008	0.6
109.10109	0.4
114.10281	20.6
115.08682	7.2
115.09944	0.5
131.04918	100.0
132.05273	1.6
141.07011	0.5
145.10153	0.5
148.07588	0.8
149.03696	0.4
159.08049	0.7
201.13858	12.6
202.12254	19.1
219.14903	1.4
244.14459	17.6
244.16348	0.4
261.17096	48.1
262.17508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82503	0.4
52.01941	0.4
55.01878	0.6
55.05509	0.8
56.05021	0.5
60.05648	2.5
67.05491	1.3
68.05027	0.4
69.03410	1.2
70.06586	0.6
70.26250	2.0
70.80055	0.3
72.08154	13.7
79.05497	1.0
81.03411	0.7
81.07038	0.8
83.04974	1.1
84.04517	0.4
84.08130	1.2
85.02925	0.6
86.09708	3.1
87.00786	0.7
88.02200	0.8
88.03975	0.6
89.10788	0.8
91.05478	1.5
93.03430	0.5
93.07034	0.6
95.04966	2.3
95.08614	0.7
97.07655	3.3
98.06067	1.4
98.97594	0.7
103.05464	28.7
104.05748	0.5
105.04517	0.4
105.07009	1.0
111.04430	1.1
114.10286	37.2
115.05508	0.4
115.08690	4.6
115.10617	0.4
116.98645	0.4
117.07050	0.6
119.04985	0.7
119.08558	0.4
120.08108	1.0
123.04408	0.7
123.08093	1.0
129.05435	0.8
129.07152	0.6
130.06561	2.1
131.04924	100.0
131.12947	1.4
132.05247	2.1
133.06584	0.4
135.04431	0.4
139.03893	0.6
145.10085	0.4
146.11765	0.8
147.04378	2.0
147.08012	0.5
151.03932	1.3
151.86742	0.5
156.10258	0.7
158.05988	0.4
158.10008	1.1
166.08653	0.6
199.11232	0.5
201.12389	0.7
201.13861	13.3
202.12262	14.4
203.12665	0.4
208.34081	0.4
215.10605	0.5
217.12206	0.4
219.14961	1.4
243.09779	0.3
244.14447	16.2
246.06760	0.4
246.40762	0.4
261.17105	47.8
262.17447	1.2
263.69058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1445
Annotation	Glu Leu
Peak:m/z	Relative Intensity
53.90972	1.0
55.01855	1.4
56.05032	7.8
56.24324	1.1
56.96552	4.3
57.07073	1.1
67.03550	0.9
67.05497	3.2
68.01992	1.1
69.03419	1.8
69.07050	1.7
70.06586	4.2
71.32919	1.5
72.08139	4.7
79.05486	1.5
82.06551	1.1
83.06079	1.5
84.04502	100.0
84.08134	6.2
85.02884	2.4
86.09703	89.8
87.10059	2.8
88.03947	1.3
91.05491	2.3
93.07015	1.7
95.04957	2.5
95.06091	1.2
96.04485	1.8
98.97588	2.8
99.05579	1.5
99.69774	1.1
102.05530	14.3
110.07205	1.4
111.04419	2.1
113.07133	1.8
114.05563	2.4
116.07063	1.5
116.98595	3.2
119.04970	1.1
123.04417	3.6
123.08062	3.6
129.05602	1.1
129.06607	3.7
129.10190	1.2
130.04970	1.8
130.06532	1.6
132.10201	49.5
134.99643	5.5
138.05453	1.9
141.06572	4.3
144.12242	1.2
147.04353	1.6
149.51953	1.0
151.03905	3.4
163.03868	1.3
171.11665	1.4
189.00725	1.3
197.12849	49.8
198.11237	1.2
199.11159	2.3
225.12247	3.2
243.10953	2.7
243.13388	31.4
243.15819	2.6
249.24934	1.1
261.03934	2.5
261.07785	1.7
261.12320	6.3
261.16882	2.2
277.13071	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1447
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
55.01886	0.7
55.05510	0.6
56.05032	3.6
56.96565	6.9
57.03437	0.8
58.06592	1.1
59.07373	0.4
60.04531	0.4
60.08156	0.7
61.01144	0.3
61.02945	0.5
63.81717	0.3
65.03942	0.3
65.93838	0.3
67.05508	0.8
68.05047	0.4
69.03433	1.1
69.07059	2.0
69.48138	0.3
70.02916	0.3
70.06590	3.0
70.46069	1.3
70.98106	0.3
71.05000	0.7
71.06110	0.4
72.08146	2.7
81.03423	0.6
84.04506	17.4
84.08145	16.1
84.96018	0.6
85.02904	1.6
85.04867	0.4
85.08472	5.3
86.06075	1.5
86.09705	100.0
87.10045	1.0
88.03986	1.2
91.05493	0.6
95.05006	0.5
96.04523	0.4
96.08153	0.5
97.02897	0.6
97.06541	0.7
98.97605	2.1
100.07639	0.3
101.10752	0.4
102.05544	4.2
104.05314	0.4
107.04993	0.6
110.07198	0.6
110.97568	0.4
111.04438	0.5
114.05508	0.8
116.07059	0.4
116.98642	2.0
117.01720	0.3
119.01945	1.6
119.04890	0.7
121.01636	2.2
124.07623	0.8
126.12835	0.3
127.03859	0.5
128.98618	1.1
129.06609	0.6
129.10246	3.1
130.05014	6.3
130.05933	0.4
130.08659	1.3
130.10612	0.7
131.00128	0.3
131.01920	0.6
132.10222	4.0
132.95825	0.4
133.03360	1.0
134.99657	2.1
135.03175	0.5
136.07603	1.0
139.02705	1.0
139.99165	0.4
140.03352	0.5
140.07077	0.6
140.98611	0.7
141.03781	0.5
142.08614	0.6
142.57002	0.4
143.01744	0.4
144.12201	0.4
144.13858	0.9
145.04936	0.5
146.99657	1.5
147.04361	0.6
147.07677	0.8
147.11311	1.1
148.06046	16.8
148.11615	0.6
149.03023	0.4
150.05818	1.1
151.02678	0.4
156.10239	0.7
158.04439	0.8
158.99609	1.7
159.04900	0.8
161.01164	0.4
161.03020	1.0
163.02766	0.5
165.00745	0.5
167.08174	1.0
169.01129	0.8
172.04306	0.6
173.01376	0.4
173.02904	0.4
175.02812	3.4
177.00665	3.0
187.04393	0.6
189.00739	0.9
191.02170	1.0
193.03844	3.1
195.01680	0.6
197.12851	4.6
201.00629	1.7
201.05855	0.8
202.10886	0.5
203.04013	0.8
213.08755	0.8
215.13982	0.9
219.01755	5.9
219.03636	0.6
225.12390	0.6
229.03258	1.3
230.02307	0.6
237.02843	2.7
243.04771	0.7
243.13416	3.4
244.17245	0.9
261.03061	0.6
261.05865	12.7
261.08539	0.5
261.09964	0.6
261.14462	6.3
261.20056	1.2
279.03867	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26366	0.7
54.50285	0.7
55.01864	1.3
55.05502	1.9
56.05016	1.0
58.99583	3.8
61.01159	1.4
67.05489	3.1
68.67911	0.8
69.03442	1.4
69.07069	10.2
69.28199	5.4
69.28631	3.7
69.46766	0.8
70.02954	3.0
73.02908	2.6
74.73547	0.7
83.04983	1.5
84.08148	1.5
85.04023	2.6
86.09703	100.0
87.00837	1.3
88.02215	9.3
88.03992	27.3
93.03382	0.9
95.04969	2.6
95.08596	1.1
96.04488	1.2
96.08119	2.4
98.02409	3.9
98.09656	1.4
99.00826	1.2
100.03982	2.2
101.04238	3.1
110.02402	9.9
111.04432	1.9
112.11214	0.8
113.10768	7.4
120.08068	1.3
124.03987	1.5
127.05755	1.4
129.05478	1.2
129.07341	19.3
138.09117	2.4
139.03870	0.9
141.10225	19.8
142.08649	1.4
146.11757	42.5
155.11777	1.4
156.10194	4.7
158.09984	57.1
166.08630	15.5
169.09760	1.7
183.11319	6.6
184.09697	3.3
198.14838	2.1
201.12338	48.4
211.10707	1.0
224.74809	0.9
226.10699	9.6
229.11920	1.2
243.13525	1.8
261.12500	5.8
261.15063	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.0
55.05510	24.1
56.05030	5.7
57.07081	8.8
58.99588	19.6
61.01149	6.9
67.05495	4.7
68.05024	1.5
69.03431	1.9
69.07059	3.7
69.87336	6.8
69.87757	2.4
70.02943	2.0
70.06583	4.5
73.01131	10.3
74.00665	10.9
74.02428	1.7
76.02222	4.7
76.04003	3.8
79.05487	8.8
81.07059	28.6
82.06573	3.3
83.08613	17.0
84.04488	11.5
84.08149	1.7
85.01141	8.7
86.99062	11.8
87.02685	2.6
88.02222	7.5
91.05468	3.8
93.07040	6.3
95.04990	2.1
95.08612	6.3
96.08115	1.9
98.09684	5.6
99.02672	9.5
100.10587	2.5
100.11251	49.8
102.44353	1.8
105.07038	4.4
106.41212	1.1
107.04943	1.6
107.08596	5.8
108.51740	1.4
109.10126	1.4
111.04556	1.4
112.03957	20.4
112.11242	15.3
115.05803	15.1
116.01678	28.1
116.05319	22.6
119.08517	1.8
121.10148	2.2
123.11745	1.7
124.11257	8.1
130.04999	13.5
131.08597	2.1
132.92604	1.4
133.10089	1.3
141.07336	20.1
142.07716	1.4
143.08667	1.7
144.01137	8.2
145.10059	1.5
147.04350	2.0
158.09998	100.0
158.11763	56.9
159.10277	1.3
159.11943	1.3
162.02191	14.5
174.02142	1.5
177.00923	1.3
231.00638	1.4
244.10008	42.6
244.12454	2.6
261.12701	43.5
261.14789	1.9
261.22260	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.4
56.05011	8.2
56.94262	1.9
56.96564	12.5
67.05479	5.5
69.03420	2.8
69.06786	2.1
69.07069	21.0
69.84230	9.6
70.06573	6.4
71.01317	2.1
72.08157	9.9
73.02915	2.6
77.98375	1.8
79.05490	2.1
81.03431	3.3
81.07053	2.7
82.06592	2.3
84.04508	50.2
84.08141	41.9
85.02888	6.2
85.08452	10.3
86.06071	2.7
86.09706	90.4
88.03994	2.5
91.05476	5.1
95.04930	4.1
97.06511	2.9
98.06062	1.8
98.97575	8.3
98.98490	2.5
99.02639	3.1
101.02499	2.3
101.04276	4.0
102.01765	8.3
102.05515	8.0
104.05304	3.2
109.06500	2.7
110.06005	1.8
110.07178	3.6
111.09175	2.1
113.02156	2.6
113.20487	2.1
114.09153	2.3
116.98613	5.5
119.01913	5.0
119.04958	3.6
123.04462	2.1
127.02122	3.1
128.98604	2.7
129.10190	6.3
130.05014	10.4
130.08665	2.0
131.01892	2.5
131.06816	2.0
132.10184	17.4
133.03433	4.5
134.99687	4.6
136.07553	3.4
137.05992	3.5
137.19556	2.1
139.00008	3.2
140.07085	13.5
144.13832	7.3
147.07620	3.3
147.11266	2.5
148.02299	9.2
148.06033	8.7
150.05797	2.5
159.04785	2.8
161.02953	3.1
167.08243	4.7
171.02620	9.6
172.01372	2.5
172.04263	23.1
173.02846	2.5
175.04556	3.0
179.03850	2.3
187.04448	3.6
197.05728	2.5
197.12819	21.8
203.03979	4.5
213.08704	2.3
219.01733	3.8
237.02815	6.3
243.13229	11.6
244.06497	3.5
244.15392	4.7
261.05798	100.0
261.14862	4.5
261.18143	6.8
275.19806	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	8.7
58.06599	0.7
58.33906	0.3
62.60315	0.4
67.05502	0.5
68.05020	0.4
69.03409	0.6
70.06590	13.8
71.04964	0.4
71.08633	2.3
71.58489	0.4
71.58903	0.6
79.05505	0.4
83.04971	0.6
85.10190	0.9
86.06060	0.4
88.07630	18.8
91.05468	1.5
93.07007	0.6
94.07393	0.4
95.04952	0.7
95.08582	0.6
97.02892	0.6
99.04450	0.6
101.05283	0.4
102.09179	4.9
105.07019	1.0
106.07361	0.6
106.08665	8.4
111.04471	0.7
117.07045	0.4
119.08567	0.6
120.08897	1.1
121.10161	0.3
122.06798	0.6
129.86572	0.4
132.08913	0.5
133.06386	0.4
133.10089	0.4
134.10443	0.4
135.08061	0.5
141.06905	0.4
144.08917	0.5
145.10207	0.3
146.06812	0.6
147.08020	0.5
148.08342	1.0
149.09656	0.5
163.07451	0.5
172.12079	0.4
172.64044	0.4
174.10046	0.5
196.12022	0.5
214.13103	0.6
216.23244	1.0
218.12556	0.5
242.12617	0.7
242.24756	6.7
260.13669	2.4
260.25842	100.0
261.11105	0.6
261.26205	2.5
265.85370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37648	0.6
56.05016	0.6
56.96571	3.7
59.02586	0.4
62.19900	0.5
63.73051	0.4
71.13536	0.8
98.97577	4.8
101.00873	1.3
102.96866	0.5
116.98612	7.1
119.01916	10.0
134.99670	7.4
137.02956	5.0
138.98914	0.6
149.04790	0.6
153.00754	2.5
158.01289	0.8
158.99792	0.8
161.01202	0.8
177.00935	20.5
178.00974	1.9
179.00697	2.4
187.50914	0.7
189.00856	0.9
193.23811	0.5
195.01941	0.7
201.00830	0.7
217.04095	2.7
218.03572	0.6
219.01985	23.8
220.02066	2.9
221.01761	9.3
222.02065	1.2
225.00789	2.4
237.02745	0.7
237.98695	1.4
238.98535	0.7
242.03461	0.8
243.01918	6.8
243.03932	0.6
261.03033	100.0
262.03137	5.9
263.37262	0.5
266.03549	0.5
278.97159	0.9
279.00256	5.5
284.04645	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	261.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05528	1.6
56.05024	4.0
56.96301	1.3
56.96561	20.3
57.03417	2.8
58.06579	2.8
58.35049	1.2
60.08146	2.6
61.02903	1.8
62.97739	1.0
63.12642	1.2
63.51722	1.1
68.05044	1.6
68.22540	1.3
69.03432	2.5
69.07050	5.7
69.58665	5.3
69.59090	3.9
70.06592	4.7
70.98109	1.2
71.04974	1.1
72.04487	1.4
72.08142	4.1
73.02882	1.9
74.02417	1.5
81.03403	2.7
81.07037	1.3
82.06591	1.2
84.04498	16.0
84.08139	40.8
84.96020	3.1
85.02883	4.1
85.07953	1.9
85.08464	11.1
86.06059	2.8
86.09700	86.7
87.10020	1.7
95.04959	1.4
97.02856	1.9
98.06036	1.3
98.97569	12.8
101.27687	1.3
102.05521	4.4
110.07108	1.7
110.97586	2.4
113.03484	3.5
116.98618	10.8
119.01894	4.0
121.01656	3.5
121.73858	1.1
124.07587	1.2
128.98590	3.8
129.10204	4.4
129.78706	1.3
130.05026	6.3
130.05885	1.2
130.08636	5.0
130.10553	2.3
131.01860	1.8
131.08971	2.0
132.10204	4.2
132.95819	2.5
133.01608	1.5
133.03438	4.7
134.99606	6.0
135.05014	1.2
136.11298	1.2
140.98550	1.6
146.99648	4.1
147.07626	1.9
147.11276	3.0
148.06046	9.3
154.08560	1.7
155.01863	1.4
158.99648	5.2
161.01173	1.5
161.03003	2.1
165.00693	3.0
169.01051	3.7
170.99721	3.0
171.02620	1.3
174.99219	1.3
177.00711	4.7
179.02217	1.4
189.00644	3.6
193.00343	1.7
195.01543	1.5
197.12831	5.2
201.00702	3.0
201.03752	1.4
219.01755	4.8
229.03214	22.5
237.02809	8.9
243.04713	4.7
243.13548	4.4
244.17177	1.6
261.05807	100.0
261.09274	8.0
261.14523	5.0
261.17789	1.8
261.20175	2.0
262.06232	1.8
274.94626	1.3
279.03983	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1969
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
55.01885	0.3
55.05502	0.5
56.04787	0.4
56.05037	4.5
57.03427	0.2
58.97556	0.3
62.06374	0.3
67.05505	1.0
69.03416	0.4
69.07059	0.7
70.06582	1.6
71.56719	0.6
81.03420	0.4
82.06546	0.3
83.04969	0.3
83.06102	1.2
84.04501	4.3
84.08140	100.0
85.02921	0.5
85.06533	0.6
85.08479	1.0
86.09702	8.7
95.04988	0.4
97.02869	0.6
100.07612	1.5
101.00896	0.7
101.10774	2.4
102.01044	0.4
102.09167	0.6
103.00644	0.6
110.06037	0.3
111.09174	0.3
112.05042	0.3
112.07599	0.7
114.05542	0.4
116.07084	1.0
116.69191	0.2
119.01913	3.9
120.02004	5.1
121.01659	2.3
128.07079	1.3
129.06593	0.3
129.10234	9.7
130.05013	1.0
130.08641	4.0
131.01907	1.5
132.02025	2.2
132.10201	1.4
133.01666	0.7
133.03462	1.4
134.03539	0.9
135.03253	0.4
137.02965	1.2
138.03044	2.7
139.02705	0.8
143.01892	0.5
144.02080	0.6
145.03503	0.7
146.03571	0.3
147.07607	0.7
147.11272	7.1
149.02989	0.7
149.97215	0.4
150.03087	0.8
151.02692	0.5
151.04582	0.4
161.02995	0.9
162.03090	2.4
163.02744	1.1
164.04576	0.5
173.03011	0.3
174.03090	0.4
176.01088	0.4
189.00702	0.3
190.02635	0.7
192.04201	0.5
197.12808	1.6
200.01216	0.4
201.00607	0.4
214.10875	0.5
216.00563	0.5
218.02136	1.6
219.01828	0.5
226.14461	0.8
229.03314	0.8
232.11790	0.6
236.03261	0.8
237.02831	0.7
242.10374	1.3
242.15001	0.8
242.18665	0.7
243.13326	0.7
243.17041	5.7
260.03116	0.3
260.11426	1.3
260.16953	0.5
260.19684	8.5
261.05902	3.5
278.04398	0.8
280.60635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1605
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.05032	7.0
56.96562	2.3
57.03415	1.1
58.97126	0.9
65.91808	1.0
67.05505	1.5
69.07056	3.2
69.93403	6.0
70.06582	2.3
72.08139	2.9
74.02446	9.7
75.02767	1.9
81.04527	1.4
83.06103	49.2
84.04503	73.3
84.08141	34.9
85.04832	4.7
86.06007	1.0
86.09706	100.0
93.45411	1.0
95.06133	1.5
98.97579	2.0
101.04262	1.0
101.07136	5.5
110.06041	2.0
116.98608	1.5
118.99142	1.2
128.98596	1.1
129.06618	3.1
129.10229	6.0
130.04991	5.2
130.06534	2.1
130.08656	6.5
131.05379	1.8
131.08951	3.6
132.09203	2.4
132.10194	30.1
134.99608	1.4
141.06602	2.0
143.11809	2.8
144.06628	1.5
147.11253	3.5
151.09500	1.8
157.13358	19.3
168.06410	1.1
171.11226	1.4
172.04266	3.8
182.62839	1.0
185.12865	3.1
189.12367	2.6
196.14456	6.4
197.10028	3.3
197.12857	26.7
225.12387	2.2
235.34027	1.2
242.14993	53.9
243.13376	21.9
243.17220	2.0
260.10315	3.4
260.13278	3.7
260.16843	4.3
260.19629	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	260.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	0.5
54.27203	0.3
55.03003	2.5
55.05511	3.4
56.05030	1.2
56.96567	0.9
64.54348	0.3
68.05018	0.9
69.03432	0.5
69.33217	0.4
70.02950	0.3
70.06584	2.1
71.04984	0.3
71.57551	0.7
72.08150	5.8
74.00639	0.3
79.05493	0.7
81.07068	0.5
83.04964	0.4
84.04517	0.7
84.08144	3.5
85.01119	1.0
85.02887	0.6
86.09705	2.0
89.00627	0.6
91.05482	7.3
93.07032	0.7
95.04965	1.0
95.08632	0.5
97.07655	7.8
97.08241	0.6
98.06065	1.6
98.09699	1.0
99.10075	0.5
103.50574	0.3
107.04946	5.2
114.10289	64.6
115.08691	3.4
115.10681	0.7
118.06557	4.7
119.04939	18.5
119.08572	0.5
121.06520	0.8
122.06047	0.9
125.04207	0.5
128.07056	0.5
129.05470	0.4
129.10242	1.1
130.05046	0.5
130.06512	0.5
130.08623	0.7
131.04980	0.5
134.06013	1.1
140.01622	0.5
143.11774	0.6
146.06021	7.9
147.04408	65.1
147.08101	0.8
147.11293	0.7
148.04742	1.0
157.07639	0.5
176.10704	8.2
214.08899	0.6
217.13356	100.0
218.11900	1.5
218.13676	1.8
260.09573	1.0
260.13934	39.0
261.11185	0.4
261.14337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1029
Annotation	Caerulomycin I
Peak:m/z	Relative Intensity
55.01852	0.5
55.05478	0.7
56.05030	2.1
56.96555	2.2
57.03428	0.9
67.05506	0.7
69.03406	1.3
69.07065	1.2
70.06573	1.8
71.05022	0.5
71.57339	0.6
72.08138	1.5
73.02911	0.6
74.02393	0.7
74.06069	0.6
78.40594	0.4
81.03430	0.8
81.07065	0.7
82.06575	0.7
83.06100	2.4
84.04508	4.8
84.08140	38.0
85.02885	1.9
86.06023	0.6
86.09698	9.0
91.05466	0.6
95.04934	0.6
96.05320	0.5
97.02893	2.2
97.03983	0.5
98.97577	1.0
100.02205	1.7
100.07609	0.8
101.02538	1.1
101.10759	1.2
103.05444	0.6
107.04918	0.5
108.26090	0.5
108.66127	0.4
109.02877	0.6
110.07143	1.1
111.04433	0.6
112.07574	0.7
112.08846	0.5
113.06021	0.5
114.09180	0.5
115.05457	0.8
115.08747	0.6
116.06995	0.5
116.98620	2.0
117.05697	0.6
121.06562	0.5
126.05502	0.7
128.07060	0.6
128.28250	0.5
128.98567	0.7
129.06630	0.9
129.10231	4.8
130.06523	67.7
131.06866	1.5
132.08112	1.3
132.10207	1.0
134.99663	1.3
140.04942	0.9
141.75179	0.5
142.06516	1.9
143.08182	0.6
146.02669	1.8
146.99637	1.1
147.03075	1.1
147.07718	0.9
147.11273	4.2
156.06776	1.8
157.07608	100.0
157.85771	0.5
158.04446	0.7
158.07988	1.4
159.09143	3.3
163.03922	0.6
169.07497	0.6
174.04250	0.6
177.00703	0.8
184.41078	0.5
185.07108	13.6
188.07823	0.5
194.11699	0.5
197.12831	1.4
201.00735	0.5
209.31723	0.5
214.07259	0.6
214.09744	1.5
219.01788	0.6
224.12976	0.5
237.02824	1.8
242.14835	1.8
243.13493	0.8
243.17047	1.6
260.10297	47.5
260.19604	4.1
261.10611	1.6
270.71246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1029
Annotation	Lenalidomide
Peak:m/z	Relative Intensity
52.61469	1.2
56.05019	4.8
56.96547	2.1
69.03437	1.5
70.06565	2.0
70.87956	2.4
72.08141	2.4
73.07655	3.7
74.02449	2.7
78.06945	1.2
81.04539	2.7
82.02924	2.1
82.04850	1.9
82.05304	1.3
83.06047	1.1
84.04498	2.4
84.08149	6.3
84.50255	1.4
86.09704	13.9
86.85387	1.1
88.44017	1.1
93.07054	1.2
95.04973	1.4
95.06079	1.4
96.06406	1.7
97.02916	1.4
101.07117	1.2
102.09184	3.1
107.17081	1.1
107.48104	1.2
111.05557	1.3
113.06055	1.4
114.05534	1.4
116.23297	1.2
118.06539	3.8
123.04538	1.3
125.07159	1.7
126.07385	1.9
127.03910	1.5
129.06557	1.2
129.10243	2.0
130.06522	6.0
132.06781	1.4
132.08116	1.4
132.10167	8.5
133.05225	3.5
134.99602	1.4
142.06540	5.0
143.08205	1.4
143.11798	3.3
144.08234	2.7
145.07599	5.2
146.06017	27.1
147.04445	1.7
147.06778	4.1
155.06010	1.7
156.06825	4.8
157.05257	4.8
157.07643	4.4
158.06018	3.1
158.08386	1.3
159.06830	3.2
159.09157	10.1
160.07579	6.1
161.04698	1.6
169.05238	1.4
169.07608	35.5
170.06003	11.7
171.05527	20.6
171.09155	3.0
172.07555	9.0
173.07069	10.1
174.05525	3.5
174.07881	19.8
182.06024	1.8
185.04707	3.7
185.07162	2.8
186.07697	1.6
186.10255	3.0
187.08665	28.5
188.07047	3.1
189.12370	3.7
196.08757	6.4
197.07108	53.8
198.05492	3.2
198.07397	2.0
199.08624	5.5
201.06612	17.7
214.09756	100.0
215.08159	5.5
215.09946	2.0
216.06593	3.6
217.13329	1.4
220.08469	2.4
225.06599	5.1
232.10696	1.6
242.09329	2.2
242.15808	2.6
243.07649	34.3
243.10054	2.3
256.56064	1.2
260.10315	42.2
260.14178	2.1
260.16534	8.9
277.62567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.84312	2.8
55.05505	22.0
55.40668	2.5
57.03435	17.7
57.07059	8.3
67.05506	28.8
69.07058	16.1
70.39843	2.6
71.05001	4.4
71.58382	5.2
79.05486	27.4
81.07056	30.3
83.04993	4.6
83.08604	9.5
84.40897	2.6
85.06509	3.6
91.05475	63.1
91.06008	3.9
93.07044	25.7
95.04937	4.8
95.08605	29.0
97.06528	3.0
97.10174	6.7
99.08107	3.8
103.05496	3.0
105.07028	81.8
107.08633	14.8
109.06506	3.7
109.10184	7.9
111.08080	3.5
115.05434	5.6
117.07009	67.4
119.07790	5.5
119.08577	56.8
121.06517	4.2
121.10115	16.8
128.06218	11.0
129.07005	32.2
130.07787	5.2
131.08569	81.9
133.06567	2.9
133.10124	59.3
135.08093	5.9
135.11713	4.4
139.11261	3.0
141.07071	2.8
143.08559	34.6
145.10103	65.3
147.08038	4.1
147.10625	5.3
147.11694	50.9
149.09578	4.8
149.13211	3.6
157.10133	24.4
159.11688	100.0
161.09569	4.4
161.13255	14.5
163.11176	4.6
171.11697	42.8
173.13245	59.6
175.14839	8.2
185.13243	40.4
187.14812	60.5
189.12724	5.9
199.14795	23.9
201.16423	4.4
213.12781	3.3
213.16423	6.5
231.25211	9.2
241.19481	44.4
241.23405	3.9
259.13287	8.3
259.17459	4.5
259.20560	83.8
259.24588	7.1
260.20758	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	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03938	2.9
55.05509	17.7
56.96543	5.4
57.07068	5.5
58.06607	2.8
67.05242	1.9
67.05508	22.8
69.07076	13.0
71.04991	3.0
71.58340	4.1
71.59002	2.8
72.01476	2.5
79.05488	24.0
81.07062	23.2
83.04988	2.2
83.08615	10.3
85.06506	2.0
91.04900	3.0
91.05480	61.0
93.07043	20.4
95.04955	4.8
95.08605	13.9
95.18722	2.4
97.06550	2.7
97.10178	2.2
99.04460	2.4
99.08086	3.3
103.05443	2.6
105.07029	74.6
107.08585	11.3
109.06549	2.3
109.10178	4.6
115.05458	6.5
115.48188	2.2
117.07019	99.2
119.08584	75.2
121.06548	3.5
121.10131	9.2
123.11666	2.4
128.06223	12.0
129.06989	29.1
130.07814	3.5
131.08568	71.0
133.10135	50.6
135.08029	3.7
135.11684	10.3
141.07016	4.4
142.07762	9.2
143.08562	39.9
144.74634	2.9
145.10126	73.6
147.08057	4.6
147.11687	35.8
149.09624	3.2
156.09309	2.5
157.10156	26.9
159.11691	100.0
160.95847	2.3
161.09636	3.4
161.13235	18.5
171.11703	33.5
173.13275	52.5
174.13481	2.4
175.11179	4.3
175.14746	4.2
180.17946	2.1
185.13252	39.3
187.14839	3.0
188.51781	2.4
199.14848	32.3
213.09331	2.5
213.12814	2.8
213.16374	8.1
218.93004	2.3
231.21185	3.3
234.13820	2.4
241.19510	31.4
259.13324	5.8
259.20572	96.7
259.28275	8.3
260.20972	2.9
260.23724	3.2
277.11063	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.13618	2.9
53.03933	3.1
55.05492	12.9
63.01594	2.3
65.88879	2.4
67.05492	13.2
67.87623	2.8
69.07070	38.1
71.04994	21.2
79.05508	5.1
81.07056	19.4
83.04961	2.6
83.08611	9.2
84.09922	2.8
85.06543	28.4
91.05470	11.4
93.07032	13.1
95.04929	3.8
95.08625	16.8
97.06516	4.4
105.07030	30.9
107.08598	23.4
109.06512	11.5
109.10160	15.4
111.08086	7.0
117.06999	7.6
119.08585	55.9
120.09319	3.4
120.71384	2.7
121.10143	10.7
123.11714	22.8
129.07028	6.3
131.08557	16.7
133.10132	38.1
135.08051	11.7
135.11725	7.0
137.09642	4.5
137.61972	3.9
142.07669	3.2
143.08528	9.4
145.10109	39.6
147.11700	26.1
156.09404	3.5
157.10141	19.9
159.11713	39.3
160.12524	2.8
161.13257	34.9
163.11183	3.4
171.11673	21.5
173.13280	9.7
175.11168	5.4
175.14836	93.0
176.15523	6.7
185.13272	19.4
189.12700	3.3
189.16396	7.4
199.14830	6.8
201.16389	28.7
203.14305	14.9
213.45204	3.2
215.17978	5.5
217.19553	5.5
230.01437	3.6
241.19482	18.5
250.85625	3.0
259.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02378	0.5
53.03938	1.4
55.01865	1.8
55.05509	14.2
56.96574	0.4
57.03432	2.2
57.07075	2.5
64.11553	0.4
65.03944	1.7
67.05499	30.4
69.03416	0.6
69.07060	9.7
71.05004	2.4
71.08627	0.6
71.58646	0.5
75.36474	0.5
77.03909	0.7
79.05486	28.0
80.06251	0.5
81.03413	0.7
81.07048	29.5
82.07392	0.5
83.04966	1.4
83.08616	4.8
85.06521	2.6
91.05473	58.2
92.05785	0.7
92.06297	0.5
93.07035	25.4
95.04965	4.0
95.08595	19.3
97.06521	3.1
97.10154	1.1
99.04407	0.6
99.08084	2.0
103.05450	3.1
104.06212	0.7
105.07021	77.6
106.07346	0.7
107.04973	1.0
107.08585	13.2
109.06519	2.2
109.10147	7.6
111.08054	2.2
111.11713	0.5
115.05463	2.1
116.06206	1.0
117.07005	20.1
118.07874	0.5
119.08570	58.3
120.08932	0.9
121.06501	1.0
121.10135	8.7
121.11011	0.5
123.08069	1.1
123.11711	1.3
125.09649	0.7
128.06223	3.6
129.06998	11.5
130.07767	1.6
131.04811	0.7
131.08554	28.6
132.09395	0.7
133.10118	46.4
134.10422	0.9
135.08043	1.6
135.11682	5.8
137.09598	1.2
141.06970	0.9
142.07753	1.7
143.08551	12.5
144.09308	1.3
145.06445	0.6
145.10110	22.6
146.10773	0.9
147.08037	1.5
147.11673	39.0
149.09663	2.0
149.13245	3.9
151.11223	0.9
156.09351	1.1
157.10127	9.6
158.10754	0.4
159.11687	19.6
160.12407	0.8
161.09624	1.6
161.13243	25.8
162.13609	0.6
163.11209	2.2
163.14853	1.3
165.12756	0.6
169.10126	1.0
169.74156	0.4
170.10928	0.6
171.11681	13.2
173.13263	11.1
174.13618	0.5
175.11253	2.0
175.14804	11.6
175.16269	0.7
177.11415	0.5
177.12695	2.0
183.11824	0.4
185.09593	0.6
185.13255	12.5
186.13805	0.5
187.14807	3.4
188.35321	0.4
189.12660	1.3
189.16389	1.0
191.14333	0.6
199.14796	7.6
201.16359	1.0
203.14340	1.0
203.36852	0.4
213.12697	0.5
213.16396	3.2
215.17876	2.3
217.15883	1.1
231.17406	1.0
231.21056	2.9
236.84549	0.4
241.19502	23.4
259.20544	100.0
260.20950	2.6
265.30862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.90349	1.2
53.03941	2.3
53.66874	1.2
55.05510	13.8
57.03440	1.7
57.07061	5.0
66.14970	1.2
66.43635	1.2
67.05506	24.4
69.07064	10.7
69.29969	4.2
69.30379	9.8
71.05019	2.0
79.05492	26.6
81.07056	29.0
83.08608	5.7
85.06541	2.2
89.87878	1.1
91.05485	54.8
93.07049	23.3
95.04955	4.4
95.08611	15.9
97.06536	3.9
98.21514	3.2
99.08096	4.2
103.05477	3.6
105.03374	3.5
105.07029	95.2
107.08599	13.5
109.06532	1.6
109.10138	8.3
111.08064	3.2
115.05460	4.2
116.06290	1.7
117.07020	54.8
117.07858	2.9
119.08587	58.0
121.10143	12.1
123.11697	2.7
128.06200	6.2
129.07011	24.1
130.07793	1.6
131.08563	53.7
132.08788	1.4
133.06418	1.5
133.10130	49.2
135.11687	6.7
141.07021	1.9
142.07803	4.4
143.08566	26.4
145.09050	2.5
145.10130	40.3
147.11688	38.9
149.09590	2.1
149.13251	4.7
156.09390	3.0
157.10133	16.5
159.11688	58.5
161.13261	28.3
162.27332	1.5
163.11148	1.8
163.14847	1.6
171.11691	24.6
173.13255	41.5
175.11151	2.2
175.14839	8.6
177.12695	2.0
185.13257	29.3
187.14806	4.8
189.12682	2.2
189.16515	1.6
199.14784	18.9
212.84317	1.4
213.16325	6.7
215.17819	1.9
217.15982	1.7
231.21033	2.3
239.23456	1.4
241.19513	40.6
259.20578	100.0
260.13522	1.4
260.20984	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	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00876	0.6
53.03930	2.7
55.01862	1.4
55.05273	1.0
55.05510	13.7
57.03422	2.3
57.07080	5.3
62.06068	1.1
64.51949	0.7
65.03928	2.2
67.05499	31.3
69.07066	10.5
69.84708	0.6
71.04967	2.2
71.08610	2.2
71.59052	1.0
79.05490	24.8
79.05961	1.2
79.74770	0.6
80.40383	0.6
81.03420	0.7
81.07053	29.1
83.04960	1.5
83.08620	5.1
85.06519	2.4
91.05476	61.2
93.07040	26.6
95.04968	4.3
95.08605	20.1
97.06548	3.2
97.10153	1.6
99.08096	3.2
103.05487	3.1
105.07024	79.8
107.08584	14.4
109.06517	1.4
109.10145	7.1
111.08050	2.3
115.05427	2.7
117.07011	23.5
118.07835	0.9
119.08574	56.8
121.06475	2.1
121.10139	7.9
123.08076	1.3
123.11662	1.3
125.09622	0.8
128.06230	3.7
129.06999	11.8
130.07756	2.5
131.08557	26.5
132.09355	0.6
133.10121	47.1
135.08064	2.4
135.11696	5.9
137.09573	2.1
141.06992	1.3
142.07761	2.2
143.08557	12.2
144.09326	1.2
145.06502	0.8
145.10117	24.1
147.08018	2.1
147.11676	39.7
149.09578	2.4
149.13228	3.4
151.11169	1.0
157.10114	11.5
159.11688	22.2
160.08737	0.7
161.09592	2.0
161.13245	22.8
163.11119	1.9
163.14839	1.2
170.10962	0.8
171.11682	12.6
173.13251	11.9
175.11194	2.6
175.14809	10.1
175.45171	0.7
177.12721	2.1
183.11594	1.1
185.13242	12.5
187.14827	3.2
189.12694	1.7
189.16415	1.0
198.14162	0.7
199.14803	8.9
201.16408	0.9
203.14241	1.0
213.12723	1.1
213.16339	2.7
215.17941	1.6
217.12003	0.7
217.15878	1.1
221.71532	0.7
231.17328	1.1
231.21053	2.9
241.19504	23.2
254.05023	0.8
259.13251	2.1
259.20560	100.0
259.28168	14.3
260.20819	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.6
55.01862	5.4
55.05511	93.6
56.05019	1.4
57.03437	45.2
57.07076	14.8
59.04985	4.9
65.52620	1.4
67.05509	23.3
69.03408	3.2
69.07066	100.0
71.04992	12.5
71.08629	8.7
71.57896	2.2
73.06531	4.0
79.05491	27.7
81.07055	44.2
81.44447	1.5
83.04971	9.4
83.08617	89.4
84.08113	1.9
85.06539	8.8
87.08076	1.8
89.66663	1.4
90.79811	1.8
91.05476	11.9
93.06484	2.5
93.07042	40.1
95.04939	4.0
95.08598	16.8
96.08070	1.5
97.05908	2.3
97.06527	40.4
97.10159	20.9
98.09695	2.2
99.08046	1.9
101.05988	5.1
104.02490	1.4
105.07027	9.3
107.08593	34.1
107.90679	1.4
109.10180	10.6
111.04356	1.7
111.08084	18.1
115.07565	2.8
117.06970	2.4
119.08576	8.2
121.06465	2.8
121.10147	19.8
123.11687	4.4
125.09641	8.2
125.13258	5.3
128.06166	2.0
129.06953	3.1
129.09052	1.6
131.08533	4.6
133.10127	4.2
135.04517	2.9
135.08003	2.6
142.07701	2.0
143.08530	4.5
145.06445	3.7
145.10115	3.9
147.04427	2.4
147.07997	4.5
147.11670	1.7
149.09665	2.0
149.13260	61.5
156.08368	1.7
157.10114	3.6
159.08017	1.8
159.11716	2.5
161.09581	3.3
163.03867	5.7
167.14323	20.0
171.08060	3.0
171.11731	3.0
173.02290	4.6
173.09676	2.0
185.09657	2.5
185.13469	1.3
185.15375	2.2
195.11652	2.5
199.11285	2.3
213.09131	2.1
213.12659	3.1
215.06953	2.9
217.12212	1.9
241.12172	4.3
241.17757	3.3
248.18341	1.5
259.09485	1.7
259.10883	1.8
259.13339	12.5
259.19012	75.1
260.19464	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11774	0.7
53.42259	0.8
55.05511	1.8
56.05040	4.9
56.96560	2.8
62.29071	0.7
63.72274	0.8
65.03949	0.9
67.05497	3.8
69.03445	1.0
69.55599	5.9
70.06597	0.9
72.08139	1.1
73.56627	0.7
73.69087	0.9
74.02442	96.4
79.05486	1.4
80.27380	1.0
81.03411	1.2
81.04545	15.3
81.07063	7.4
82.06561	1.2
83.06096	4.6
84.04505	100.0
84.08144	8.5
85.02908	3.5
85.04836	1.1
85.06503	1.0
86.09702	6.7
91.05466	0.8
95.04970	2.6
95.06084	11.2
97.02883	2.5
97.04012	14.4
98.97575	1.8
99.05588	0.9
101.07133	1.0
102.05528	3.0
107.06094	1.0
110.06046	1.4
113.05992	4.8
122.06023	0.8
122.09653	2.1
125.03502	5.2
125.07120	12.3
130.05000	38.8
130.08643	45.0
132.10229	1.2
138.05502	1.4
143.04523	3.6
143.08150	11.5
150.09149	18.4
157.13432	1.2
169.08629	2.5
177.00740	1.1
184.05913	0.8
193.13326	1.0
196.09700	17.9
197.12921	2.5
197.58377	0.9
211.58829	0.8
213.12398	4.4
223.10890	1.8
223.14633	0.9
241.11844	4.4
241.15498	6.4
242.10243	8.1
242.14919	2.7
242.98204	0.9
243.13440	1.0
246.27356	0.7
259.12912	37.1
259.16541	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	259.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01874	1.3
55.05504	1.9
56.05032	6.3
56.96562	2.2
57.03419	1.2
58.06591	0.7
60.04534	0.8
67.05503	2.4
68.05035	1.1
69.03439	0.9
69.07053	1.7
70.02956	0.9
70.06593	3.8
71.05001	0.8
71.06632	1.4
72.08157	4.3
74.02440	54.0
79.05489	2.2
80.05009	1.1
81.03412	0.9
81.04549	2.7
81.07053	4.5
82.06591	0.8
83.06099	6.4
84.04503	100.0
84.08143	11.4
85.01163	1.0
85.02911	3.6
86.06066	1.2
86.09698	10.8
87.04477	1.0
88.03972	0.7
91.05479	1.0
93.04522	0.8
93.07051	0.8
94.06592	0.7
95.04977	2.0
95.06042	1.0
96.04465	0.8
97.02910	2.5
97.04009	14.0
97.04613	1.1
97.06567	0.9
100.02226	1.3
100.07642	1.6
101.07117	1.4
102.05539	3.2
102.09188	7.3
106.06528	0.9
107.04952	0.8
108.08058	0.7
113.06012	2.1
114.05528	1.8
116.98589	0.9
122.09673	1.1
124.07561	1.0
125.03456	5.2
125.07126	2.0
128.07132	0.8
129.06561	1.0
129.10234	0.9
130.04999	35.2
130.08640	49.3
131.03279	0.8
132.10210	2.5
134.06036	1.5
136.07576	0.9
138.09108	3.5
141.06596	0.7
143.04523	3.7
143.08144	1.4
147.04375	0.7
150.09132	10.1
168.10240	2.0
177.00708	2.2
194.04611	0.9
195.11331	2.4
196.09688	18.4
197.12886	4.4
211.07117	0.9
213.12357	3.7
223.10800	1.2
235.01178	1.1
241.11813	3.3
242.10196	6.3
242.12436	0.8
242.12843	0.9
242.14949	5.5
243.13469	1.6
259.10129	1.0
259.12894	24.7
259.16495	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	259.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.7
55.01868	15.5
55.05507	16.8
56.05032	17.0
57.03424	4.0
57.07067	3.4
58.99579	12.0
61.01150	3.7
65.03943	1.9
67.05492	10.4
67.44238	1.4
68.05022	6.5
69.03416	2.6
69.07064	14.1
69.59386	1.4
70.02991	1.9
70.06598	2.2
71.04999	2.9
71.57980	2.0
73.01147	2.6
74.00658	3.7
76.02226	3.8
76.03989	3.4
79.05491	56.0
80.05003	7.7
80.06259	1.4
81.03423	3.3
81.05772	1.7
81.07056	38.1
82.06571	12.4
83.04951	2.1
83.08617	9.8
84.04498	11.4
84.08161	2.2
85.01125	100.0
85.04021	6.5
85.06538	2.3
86.00652	25.7
86.99028	5.5
87.05527	2.1
88.02215	4.9
88.04009	2.3
91.05468	9.5
92.01742	2.6
93.05762	2.1
93.07040	17.2
94.06565	10.8
95.04972	9.4
95.07304	1.7
95.08599	15.2
96.08128	10.3
97.01121	4.8
97.02889	4.3
97.06532	13.7
97.08925	10.1
97.10194	3.2
98.09688	35.6
99.08080	3.2
100.02202	1.6
102.05514	3.6
105.07032	13.5
107.04944	2.4
107.07330	2.6
107.08582	9.0
108.08117	4.7
109.06542	1.8
109.08919	2.9
109.10158	3.4
110.09676	18.7
111.02683	3.1
111.08049	1.6
112.03943	13.1
112.04577	1.6
113.04224	93.7
116.01672	23.4
116.98643	1.7
117.07030	2.9
119.01832	1.6
119.08577	7.5
121.10122	9.3
122.09653	11.7
122.65208	1.3
123.08087	1.9
123.10441	3.9
125.09624	1.6
127.05753	1.4
128.06232	3.8
129.07004	1.7
130.05003	35.4
131.04462	3.0
131.08556	4.6
133.10124	5.9
135.04430	1.5
135.11696	2.1
137.13181	1.8
138.05630	1.4
139.05731	7.6
141.06995	1.8
141.67915	1.5
142.07672	2.2
143.02733	3.1
143.08557	3.7
144.01134	4.1
145.06351	1.8
145.10123	5.2
147.04373	3.2
147.08057	2.2
147.11696	4.5
149.13274	5.6
153.07014	1.7
156.08429	67.8
156.10199	36.2
157.10162	4.1
159.11732	3.3
161.09575	2.0
162.02184	4.8
163.03949	5.6
171.11665	2.5
173.02374	4.2
173.09546	1.5
173.13239	1.5
175.03966	1.8
175.14848	2.8
177.03258	9.1
184.05307	2.0
185.09610	2.2
185.13258	4.2
187.07579	1.6
189.03294	5.7
199.14771	2.7
201.05540	1.6
201.09166	1.6
201.16344	3.8
202.82701	1.6
203.10556	1.8
203.14311	1.6
213.08945	1.5
215.07014	5.0
238.09438	1.9
241.15796	1.8
241.19727	2.4
242.08450	12.0
242.10669	1.4
242.11882	2.4
259.11227	35.3
259.13489	4.2
259.16867	2.3
259.21017	6.8
259.24252	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
54.68175	0.7
55.01873	6.2
55.02969	0.7
55.05511	7.6
55.70324	0.6
56.05036	59.6
56.68779	0.8
58.99586	20.5
60.04525	2.1
61.01152	4.2
61.16492	0.7
67.04222	0.8
67.05492	2.6
68.05027	7.6
69.05799	1.9
69.07064	1.3
70.02947	8.1
70.06579	1.9
70.99570	6.2
73.01143	4.0
74.00659	2.0
74.02422	3.4
76.02216	2.5
76.04002	6.3
79.05491	12.6
80.05015	7.4
81.05790	3.4
81.07057	7.5
82.06590	3.8
83.08655	1.1
84.04512	7.9
84.08131	3.3
85.00652	1.7
85.01132	28.1
86.00655	17.1
86.99051	10.2
87.02689	8.0
88.02213	5.9
88.03983	1.1
91.05462	2.2
93.05774	1.3
93.07047	1.9
94.06579	9.4
95.04961	1.7
95.07354	2.0
95.08602	2.0
96.08118	9.7
97.01116	6.3
97.08881	0.8
98.09692	77.4
99.01405	0.8
99.02683	0.9
99.05564	2.6
100.02187	1.7
100.11214	1.0
102.03739	1.4
102.05538	14.4
105.07016	4.2
106.06527	1.8
107.07318	1.0
107.08600	0.9
108.08116	6.4
109.08891	2.9
110.08915	0.9
110.09681	18.2
111.02651	2.0
112.03978	9.9
113.04230	36.9
114.03762	4.3
114.05525	2.3
115.05796	1.7
116.01677	34.2
116.03436	1.4
116.04874	0.9
116.98612	0.9
118.05237	1.0
119.04917	0.9
122.09657	9.6
123.10413	3.3
128.04968	1.3
130.05005	8.6
130.06892	9.7
130.08621	3.6
131.06039	3.7
133.07588	3.3
139.05739	3.5
143.02742	5.6
143.04726	1.0
144.01129	5.8
145.06104	6.1
146.06001	1.7
147.04398	1.7
156.08420	55.7
156.10196	64.0
157.10643	1.1
158.07149	3.9
162.02196	7.4
170.07143	11.5
171.02281	0.9
184.07887	1.4
188.03758	2.2
188.08194	38.7
189.03262	4.2
206.09213	1.9
213.10529	2.3
213.87718	0.8
214.06104	16.9
215.05676	2.8
216.06862	14.6
217.13264	1.6
232.07150	33.8
232.09508	1.8
234.08755	1.2
241.07144	1.0
242.08508	4.6
259.08252	100.0
259.11121	72.5
260.08884	3.7
260.11288	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01859	9.0
55.05498	8.0
56.05020	9.6
56.96334	2.5
56.96564	31.2
57.03441	11.0
60.04521	2.7
61.02905	5.0
65.03922	4.0
67.05499	14.8
68.05027	4.5
69.03424	21.5
70.02940	8.9
70.06592	11.4
71.01360	2.8
71.04990	3.5
71.30859	6.5
72.04508	11.0
72.08148	2.7
73.02919	11.2
73.95190	2.2
74.02444	29.6
79.05479	9.8
80.05026	12.5
81.03419	60.5
81.07050	3.9
82.02935	30.7
82.06564	7.8
83.04977	11.3
83.06091	2.8
84.04504	60.4
84.08146	20.9
85.02910	21.3
86.06013	2.5
86.09693	4.5
87.04453	3.9
87.05080	4.9
87.05589	70.9
88.03969	3.1
92.04969	3.2
94.06559	9.0
95.04973	37.8
95.06045	2.5
96.04496	37.9
97.02395	3.3
97.02892	74.6
97.03935	3.6
97.05222	3.7
98.02438	3.7
98.06046	4.2
98.97575	19.4
99.04443	12.0
100.02197	6.2
100.07602	6.0
101.00883	4.6
106.02855	6.3
106.06535	8.5
107.05002	3.5
108.04476	58.7
109.02866	9.1
110.01257	3.0
110.02395	6.6
110.06042	17.1
110.07138	2.6
111.04436	3.6
112.03978	21.6
114.05525	7.6
116.98623	16.1
118.02847	2.7
119.01910	18.5
120.04445	16.3
122.02369	9.2
122.05170	4.7
122.06030	73.8
123.04484	3.1
123.05457	2.9
124.03936	7.0
124.07625	3.5
125.04743	2.2
126.05482	15.5
127.03938	7.1
128.02327	4.9
128.03299	2.2
128.07079	4.0
128.98602	5.2
129.10185	2.9
130.05020	12.7
130.08636	17.7
131.00146	8.3
131.01874	2.4
133.01697	4.4
133.03375	7.5
134.05998	17.5
134.99635	9.9
136.03934	7.0
137.02954	7.2
138.05473	23.4
143.05769	16.3
143.08167	3.5
145.01767	2.6
145.03438	3.7
146.02704	6.8
146.99606	3.4
147.03127	4.9
148.03926	8.9
149.01208	9.4
149.02907	3.2
150.05507	43.4
150.09167	6.7
152.02313	4.6
152.03438	37.6
152.07053	15.7
154.04988	45.0
156.03670	11.7
156.06540	12.6
161.01189	5.1
161.02921	5.5
162.05469	8.4
163.02774	3.8
165.06587	26.3
166.05009	31.3
167.02293	2.7
167.08192	13.5
168.06555	4.5
169.04330	10.5
170.04485	4.0
170.08102	4.3
171.04169	8.2
175.02693	5.0
176.03476	2.6
177.04094	2.6
178.03418	5.0
178.04936	69.3
178.55159	3.1
179.08136	8.3
183.07625	2.6
189.55782	3.4
191.02231	3.6
193.03877	6.5
193.05931	3.6
194.04489	82.8
195.07655	14.4
196.06056	9.5
196.09660	5.2
197.09242	23.6
200.05527	11.1
209.03320	7.3
211.04977	5.5
211.07129	100.0
212.86948	2.5
213.08682	9.9
213.14215	3.0
214.07141	3.4
215.10237	3.7
217.01970	3.6
224.05580	5.6
235.02917	2.9
235.04892	5.1
237.02803	2.6
241.08147	3.9
242.06653	5.4
242.10233	3.4
259.04236	9.2
259.06894	4.3
259.09503	21.7
259.12817	8.8
259.16809	5.9
278.62335	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0824
Annotation	Posoquenin
Peak:m/z	Relative Intensity
53.03955	0.5
53.78548	0.4
54.16448	0.4
55.01872	2.1
55.05503	2.1
56.05035	16.4
58.99584	6.2
60.04507	0.7
61.01134	1.4
62.34916	0.4
67.05492	0.5
68.05026	2.8
69.75974	0.7
69.76382	2.0
70.02965	2.6
70.04162	0.5
70.06581	0.4
70.99557	1.4
73.01123	1.4
74.00657	0.7
74.02428	0.8
76.02235	0.6
76.03996	1.6
79.05489	4.2
80.04998	2.0
81.05789	0.9
81.07059	2.4
82.06557	0.7
84.04507	2.5
84.08145	1.0
85.01125	7.3
86.00662	4.7
86.99050	2.6
87.02691	2.7
88.02211	1.3
88.03989	0.4
91.05462	1.4
93.07027	0.6
94.06560	2.2
95.04930	0.5
95.07332	0.6
95.08617	0.5
96.08116	2.5
96.55437	0.4
97.01112	1.3
97.08942	0.5
98.09691	24.2
98.20727	0.4
100.11227	0.7
102.05550	4.4
105.07015	1.0
106.06521	0.7
108.08086	1.9
108.39141	0.4
109.08867	0.6
110.09670	5.6
111.02707	0.5
112.03964	3.6
113.04229	11.5
114.03748	1.1
114.05531	0.6
115.05779	1.0
116.01672	9.7
116.04959	1.3
118.05290	1.2
119.04911	1.0
122.09657	3.2
123.10546	0.6
128.04971	1.0
130.05019	2.8
130.06831	2.6
130.08636	2.4
130.19913	0.4
131.06013	3.0
133.07588	2.9
139.05748	1.2
143.02698	1.9
143.04918	0.4
143.05992	0.5
144.01186	2.1
145.06059	2.2
146.05983	1.7
153.61353	0.4
156.08414	18.2
156.10190	22.3
158.07133	4.5
162.02234	2.9
170.07137	9.5
174.06665	0.5
188.03705	0.9
188.08186	33.5
189.03284	1.7
190.09805	0.5
198.06604	0.6
206.09265	1.1
213.10521	0.7
214.06100	13.1
215.05623	1.9
216.06912	5.7
231.08839	0.7
232.07166	30.3
233.07643	0.5
234.08669	1.4
241.07091	0.8
242.08377	1.1
259.08243	100.0
259.11087	27.1
260.06332	0.6
260.08609	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05523	1.2
56.05028	1.8
56.96567	6.7
57.03431	0.7
58.06581	0.6
58.99580	0.8
60.04512	0.6
61.02915	0.7
65.03941	0.6
67.04256	3.0
67.05491	0.9
68.05020	1.3
69.03434	2.6
69.07060	0.7
70.06599	4.6
70.10135	0.5
71.04990	1.1
71.26115	1.2
72.08147	2.4
73.01144	1.4
73.02911	0.9
74.00665	8.5
74.02440	1.8
74.97642	0.5
75.16067	0.5
76.03970	0.6
81.03412	1.2
81.04563	1.0
81.07068	0.7
82.06587	0.7
83.04987	1.0
83.06108	1.0
84.04513	8.8
84.08144	12.4
84.08626	1.0
85.02911	2.1
85.08473	2.6
86.06097	0.9
86.09715	2.3
86.76331	0.5
87.04500	0.5
87.05586	0.9
88.03998	1.3
88.99155	1.0
89.03905	0.7
91.05476	0.7
95.04980	1.5
95.06099	1.1
96.04536	0.7
96.78193	0.5
97.02883	3.2
97.04021	1.7
98.97575	1.0
99.04494	0.6
100.02204	100.0
101.02584	0.8
102.05534	1.0
108.04455	0.9
109.02842	0.6
110.06071	0.8
110.07150	0.9
112.03968	0.6
114.05530	2.3
116.07085	1.1
116.98656	1.1
118.03242	4.2
118.04109	1.2
119.01885	1.3
122.06049	0.9
123.04386	0.6
125.07177	0.7
126.05506	0.6
127.03978	0.6
127.05019	1.0
128.07088	1.1
128.98592	0.6
129.10242	5.3
130.05009	1.8
130.06525	1.8
130.08652	1.5
130.10579	3.2
131.04945	0.6
134.99672	1.5
138.05560	0.8
138.06580	0.5
143.00159	0.6
143.01720	0.6
143.04494	0.6
144.05750	1.2
146.02708	95.3
146.99677	1.6
147.03033	0.9
150.05630	0.8
154.04900	0.8
157.06400	1.0
157.07623	3.6
158.99623	1.6
161.01196	1.6
171.01140	1.1
172.05229	1.6
174.03087	1.5
177.00710	3.9
178.04974	0.6
187.03886	2.1
187.07536	6.4
188.04684	0.7
191.02214	1.0
194.04558	0.9
195.01817	1.6
198.03113	1.4
199.02171	1.2
201.05617	0.6
211.07187	1.0
213.06949	20.4
216.04182	1.8
217.00143	1.0
227.14108	0.6
229.05049	0.6
231.02902	8.8
235.01241	2.1
241.11588	0.6
244.03700	0.7
259.03510	1.0
259.05878	3.2
259.07446	10.8
259.10181	1.4
259.13031	2.4
259.16486	3.0
260.10303	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.5
56.96560	20.1
57.03431	5.1
57.77363	1.9
58.99859	2.6
60.57006	1.8
60.95815	1.8
61.02927	3.3
67.05509	3.3
67.86729	2.1
69.03426	5.7
70.06591	13.7
70.88412	6.0
70.98113	2.4
72.08141	7.4
73.02900	6.9
74.02455	1.9
77.00900	3.0
80.05013	2.6
81.03400	5.8
81.04549	3.9
81.07047	2.9
84.04496	15.3
84.08144	22.4
84.96040	2.2
85.02880	6.8
86.06042	2.4
86.09699	6.4
86.96756	1.9
87.05569	2.7
91.05444	3.0
95.06081	2.3
96.04485	3.2
97.02889	14.5
98.97572	5.9
100.02219	17.6
101.00866	6.1
102.05551	2.5
108.04494	4.5
109.02866	2.2
110.06026	2.6
110.97556	3.1
114.05495	2.2
116.10722	4.8
116.98639	5.4
117.01954	2.4
119.01931	35.6
120.01105	2.1
122.06023	3.4
125.07055	2.6
128.98590	6.0
129.10210	6.5
130.05003	3.6
130.08650	4.8
130.10582	2.8
131.01933	5.0
133.03470	14.7
134.99544	2.5
137.02072	2.3
137.03017	13.6
138.12437	1.9
139.00005	7.1
140.03423	7.1
146.02715	15.3
146.99631	3.9
149.02904	7.3
151.04509	6.4
158.04478	8.3
158.99649	5.6
161.02945	4.4
165.06644	2.6
166.05066	2.4
171.01314	3.7
175.00874	20.6
175.04437	2.2
177.00700	11.6
177.02011	2.3
183.02536	2.1
186.04082	3.7
189.02475	17.9
193.00288	3.3
193.01930	12.0
194.04524	3.0
195.01758	4.2
199.02150	25.9
200.05554	3.8
207.03477	3.5
211.07118	7.4
213.06923	4.3
213.12395	2.5
217.01929	24.7
235.01015	3.0
235.03101	17.0
237.38531	2.2
241.03151	10.2
259.04251	100.0
259.12903	5.0
259.16440	6.3
260.04538	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32130	0.2
55.05500	0.5
56.05020	0.3
57.03424	0.2
57.05793	0.4
57.07075	6.8
58.06588	1.6
59.91497	0.2
64.00385	0.2
67.05482	0.6
68.42291	0.2
69.07058	0.3
69.40569	1.9
70.06583	1.4
71.04968	0.3
71.08632	3.0
72.08155	25.0
79.05481	0.7
81.07032	0.4
83.04987	0.5
85.10200	1.3
88.07638	1.6
90.09191	20.0
91.05489	1.2
92.11446	0.3
93.07048	0.5
95.04962	0.3
95.08595	0.3
97.02844	0.3
99.04472	0.2
103.05488	0.3
105.07005	1.2
107.08575	0.2
111.04422	0.3
117.07002	0.6
119.08584	0.8
121.06480	0.5
126.07103	0.2
129.06996	0.4
131.04883	0.6
131.08585	0.4
132.08875	0.4
133.10085	0.5
135.08006	0.3
141.07037	0.2
143.08556	0.7
145.06459	0.3
145.10118	0.9
146.10454	0.5
147.07999	0.5
147.11693	0.3
155.08566	0.3
157.10094	0.5
159.08176	0.2
159.11737	0.3
160.08813	0.4
163.07471	0.3
171.11737	0.4
172.46819	0.2
174.09067	0.4
185.13293	0.3
191.14523	0.3
199.11229	0.3
212.23708	0.3
213.12808	0.4
214.25273	0.9
241.12155	0.3
258.27911	100.0
259.13284	1.0
259.20517	0.7
259.28262	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99334	0.5
55.05506	1.8
56.05037	2.9
56.96569	5.0
57.03424	1.4
58.06601	24.1
61.02933	2.9
67.05520	0.9
69.03430	1.4
70.06595	4.1
70.20485	2.5
70.98119	1.0
72.08143	1.9
73.02921	0.8
74.00655	1.3
81.03397	0.5
81.04524	1.8
81.07069	0.8
82.06610	0.6
83.04969	0.5
84.03988	0.8
84.04502	24.7
84.08143	42.8
85.02913	1.3
85.08471	0.9
86.09689	3.1
91.05493	0.7
97.02873	0.7
98.97578	2.7
100.02200	14.4
101.10768	2.1
102.05561	1.2
104.01308	0.7
104.10716	0.6
107.02567	0.5
110.06022	1.2
110.07166	0.8
111.09223	0.9
112.07605	2.1
115.03963	0.5
116.98614	2.2
117.01851	3.1
118.03240	0.8
119.01884	1.0
121.01586	0.6
123.09198	0.8
124.07581	1.1
124.08677	0.9
124.54676	0.5
125.07103	0.7
126.05555	0.8
128.98599	1.1
129.10240	100.0
130.05002	4.8
130.10577	1.1
132.00737	2.8
134.99667	1.0
141.01245	2.9
146.02702	14.9
146.99600	2.4
148.02071	2.5
148.52242	0.5
149.04486	1.0
157.02603	1.2
158.99738	0.6
161.01126	1.3
162.01875	0.6
165.00728	1.9
167.11815	2.1
172.97598	0.6
174.99098	0.7
175.11984	0.7
177.00732	1.6
177.02293	0.8
180.01115	0.8
186.02460	0.7
190.98630	2.2
194.12892	7.5
195.11292	6.3
197.02043	1.4
198.02699	0.9
199.02225	1.1
205.00233	1.0
206.02654	1.4
206.52721	1.1
208.99724	0.6
212.03833	0.9
213.03368	1.0
213.06973	2.2
217.00165	0.6
222.04041	0.6
223.01218	0.9
232.99948	0.6
235.01120	0.7
240.13431	20.5
241.03209	0.8
241.11758	1.1
258.04553	0.7
258.09619	0.6
258.14603	4.2
258.18021	3.0
258.24133	0.6
259.04288	6.0
259.07443	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01871	1.0
55.05512	6.4
56.96572	0.9
57.03440	1.7
57.07063	1.2
63.70538	0.7
65.03950	0.5
67.05502	12.2
67.05836	1.0
69.03420	1.8
69.07073	2.7
70.06588	2.1
70.82710	2.1
71.04988	7.6
72.08154	100.0
73.08469	0.6
79.05504	3.8
81.07053	13.9
83.04975	6.3
83.08598	1.4
83.85036	0.7
84.04494	1.4
84.08151	0.8
85.02912	1.8
85.06544	8.1
86.09727	0.6
89.10799	2.7
90.09203	1.4
91.05477	6.1
93.07027	3.9
95.04972	2.4
95.08590	3.2
96.59992	0.6
97.06517	1.4
98.06051	8.5
99.04401	0.7
105.07027	6.0
107.08604	6.5
109.06525	2.4
109.10160	8.5
110.06150	0.6
111.04444	2.0
111.08076	1.2
112.07616	1.2
113.06020	0.6
119.08591	1.2
121.10150	1.2
123.04344	0.6
123.11724	1.7
131.08569	0.6
132.40178	0.6
133.06465	0.7
133.10133	7.1
145.02820	1.0
147.04419	1.1
151.11163	4.8
153.05501	0.7
168.13805	0.7
169.12233	1.8
177.05516	0.9
180.13863	1.5
186.14908	2.3
198.14932	1.5
202.68279	0.6
222.18587	3.4
229.05089	0.6
239.21193	1.1
240.19586	66.1
241.19887	1.3
243.39662	0.6
257.04501	2.1
257.09613	1.0
257.22235	66.2
258.22540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01875	1.6
55.05511	6.5
56.96570	0.7
57.03439	0.9
57.07072	0.8
58.10741	0.6
59.02967	0.5
59.05001	0.6
65.03935	0.5
67.05506	13.5
67.45139	0.5
69.03432	1.9
69.07063	3.1
70.06601	2.0
71.04990	7.3
71.32923	0.8
71.33267	0.6
72.08155	100.0
73.06557	0.6
73.08488	0.8
74.65357	0.5
78.21399	0.5
78.62473	0.5
79.05489	4.7
80.02125	0.5
80.72411	0.5
81.03430	0.5
81.07057	14.5
83.04991	4.2
83.08633	1.4
84.04498	1.4
84.08139	0.9
85.02907	0.8
85.06544	8.1
86.09722	1.2
89.10794	2.4
90.09205	1.0
91.05482	6.6
93.07045	5.2
95.04963	2.0
95.08613	3.6
97.06538	1.8
98.06057	8.1
98.97558	0.6
101.06033	0.5
105.07033	5.6
105.54330	0.6
107.04965	0.6
107.08585	5.0
108.71416	0.4
109.06504	2.6
109.10147	8.8
110.06059	0.7
111.04446	1.9
111.08074	0.8
112.07576	1.0
113.06098	0.6
116.07018	0.5
117.07021	0.5
117.97538	0.5
119.04987	0.6
119.08575	0.7
121.02842	0.7
121.06542	0.5
121.10157	1.0
123.08043	0.7
123.11732	1.1
125.09570	0.7
127.07597	0.8
129.05435	0.7
133.10127	7.4
136.07568	0.5
145.02876	0.9
149.01183	0.7
151.11166	4.1
153.05452	1.0
168.13863	0.7
169.12259	2.1
175.03766	0.5
177.05508	1.2
180.13857	1.0
186.14877	1.5
194.87384	0.5
195.09239	0.7
198.14886	1.3
214.82501	0.6
222.18488	3.6
225.08995	0.5
229.04929	0.7
239.21187	1.3
240.19577	62.6
241.19955	1.3
257.04422	2.9
257.22244	61.7
258.22577	1.2
264.39752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05511	9.2
57.03422	3.8
57.07074	2.2
64.06775	1.4
67.05499	18.2
69.07043	7.5
69.85463	2.5
69.85873	7.0
71.04987	2.8
79.05508	12.6
81.07043	16.2
83.04965	3.7
83.08599	5.1
85.06536	3.3
87.85498	1.4
91.05479	17.9
93.07044	10.2
95.04957	5.0
95.08599	13.6
95.22289	1.4
98.20750	2.6
105.07024	21.3
107.08585	11.0
109.06519	5.4
109.10168	8.7
111.08077	1.7
115.05442	3.7
116.06213	3.3
116.98632	1.5
117.07025	26.1
119.08573	19.1
121.10136	13.3
123.08062	3.1
125.56933	1.5
128.00732	1.4
128.06216	6.4
129.07005	16.8
130.07776	4.3
131.08557	47.4
132.74329	1.5
133.06526	3.1
133.10112	14.1
135.08031	4.3
135.11646	5.1
135.17241	1.5
137.09610	3.0
141.07004	6.2
142.07771	6.8
143.08571	24.1
144.09312	1.9
145.06464	2.7
145.10115	60.7
147.07982	2.8
147.11678	6.5
149.09625	2.0
155.08542	9.9
156.09341	4.7
157.10130	27.9
158.10837	4.5
159.08064	4.6
159.11673	34.9
161.09618	3.6
161.13275	2.0
163.11218	1.7
168.09290	3.3
169.10139	17.0
170.10793	2.8
171.11694	25.9
173.09616	5.9
173.13246	26.5
174.13857	2.6
175.11209	6.8
175.14777	4.6
181.10097	2.1
182.10902	2.3
183.11711	17.0
184.12334	2.6
185.13257	9.8
187.11160	10.1
187.14832	3.9
189.12822	1.6
195.11649	2.7
197.13217	13.6
199.14835	14.1
201.12779	7.7
209.13206	2.4
211.14842	3.4
213.16397	8.2
214.13777	1.6
214.16995	2.1
215.14270	4.7
215.17918	6.3
224.15567	2.2
229.15852	1.8
229.19508	5.6
239.17928	27.2
257.18997	100.0
258.19302	3.1
258.27982	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	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.05518	11.2
57.03421	1.7
57.07048	3.1
60.08152	2.6
65.03929	2.1
67.05175	2.4
67.05499	26.5
69.07065	8.2
70.06573	1.3
71.04989	1.6
72.19473	1.2
79.05486	14.8
79.31902	1.3
81.07053	25.7
83.08607	5.9
85.06539	1.7
87.02450	1.4
91.05477	30.8
93.07041	11.6
95.04943	3.4
95.08609	16.5
97.06495	2.5
98.21541	2.4
103.05544	1.7
105.07030	24.4
107.08578	8.8
107.35980	1.5
109.06501	2.9
109.10151	6.0
115.05457	5.5
116.06249	3.3
117.07013	57.2
118.99300	1.6
119.08578	17.0
121.10130	5.2
123.08086	2.2
123.11733	1.4
128.06195	9.4
129.07002	30.2
130.07797	7.7
131.08563	84.1
132.08862	1.6
133.06462	4.3
133.10117	12.4
135.08000	4.4
135.11659	2.1
140.06908	1.6
141.06987	12.3
142.07735	6.0
143.08563	27.8
144.09340	3.0
144.94946	1.4
145.06480	4.6
145.10115	100.0
146.10516	1.5
147.08029	5.1
147.11682	6.3
149.09615	2.3
154.07762	2.9
155.08543	13.7
156.09340	2.3
157.10130	38.8
159.08046	4.1
159.11687	52.5
161.09618	3.7
161.13239	4.1
167.08531	2.7
168.09340	3.5
169.10123	24.6
171.11682	32.4
173.09604	1.8
173.13242	19.5
175.11189	4.9
181.10103	2.1
182.10902	3.1
183.11688	22.9
185.13223	6.4
187.11183	6.4
187.14790	2.8
189.12677	2.2
195.11676	1.8
197.13226	19.4
197.66673	1.5
199.14758	2.9
201.12753	5.6
210.13983	2.1
211.14815	6.1
213.16367	5.6
215.14314	4.0
215.17937	2.1
229.19579	4.5
239.17941	37.1
257.18994	88.8
257.26511	3.0
257.30301	16.8
258.19308	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.02605	0.7
53.03939	1.4
55.01855	0.9
55.05514	12.4
57.03429	2.1
57.07067	1.6
67.05504	25.5
69.07063	4.5
69.93214	2.4
69.93626	2.4
71.04990	1.3
72.12736	0.9
79.05492	9.5
81.07061	14.8
83.08630	4.1
85.06564	1.1
91.04964	1.5
91.05485	16.4
93.07047	6.1
95.04962	1.4
95.08616	10.8
97.06539	1.6
103.05428	1.1
105.07027	16.8
107.05033	1.0
107.08591	3.1
109.06494	1.1
109.10134	5.3
115.05454	2.2
116.06163	1.3
116.98665	1.2
117.07018	22.1
119.08585	9.1
121.06528	1.6
121.10148	2.7
122.92788	0.8
123.08071	1.1
128.06235	7.2
129.06995	12.0
130.07822	8.1
131.08571	49.3
133.06474	2.4
133.10139	9.4
135.08051	1.0
135.11723	1.5
141.06989	5.5
142.07767	1.9
143.08566	21.8
145.06461	2.2
145.10123	100.0
146.10446	2.0
147.08037	1.4
147.11699	6.0
149.09627	1.6
153.06926	1.7
154.07755	1.8
155.08521	7.8
157.10123	13.8
159.08044	1.5
159.11696	18.8
160.12021	1.0
161.09644	3.5
161.13226	2.1
167.08490	0.8
168.09343	2.1
169.10144	13.9
171.11687	21.0
173.09607	2.3
173.13275	9.7
175.11186	3.2
183.11707	14.7
185.13268	5.6
187.11137	6.4
187.14793	2.9
189.12794	1.3
197.09682	1.4
197.13261	12.8
199.14786	2.4
201.12758	1.3
211.14838	3.2
213.16377	2.5
215.14339	2.0
215.17964	1.4
229.15996	0.9
229.19533	10.0
239.17964	16.9
257.19003	60.3
257.30295	2.8
258.19391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03934	2.3
55.01866	2.8
55.05508	15.7
57.03436	2.3
57.07070	1.9
65.03938	1.9
67.05504	27.2
69.03435	1.6
69.07064	8.6
69.93891	5.8
71.04983	2.0
71.83326	1.2
79.05486	16.7
81.07053	22.6
83.04974	4.4
83.08627	5.7
85.06509	1.6
91.05482	30.7
93.07050	17.0
95.04961	4.0
95.08611	16.2
97.06513	3.1
97.10182	2.0
98.21488	1.9
98.46611	1.2
103.05484	1.3
105.07029	27.0
107.04951	4.0
107.08589	9.6
109.06516	4.3
109.10172	7.4
111.08063	3.0
115.05470	5.0
116.06232	3.1
116.98671	1.5
117.07014	36.0
119.08575	16.2
121.06528	2.4
121.10136	8.1
123.08036	2.8
128.06232	6.2
129.06999	17.5
130.07832	6.7
131.08566	57.0
133.06482	10.6
133.10132	16.2
135.08058	4.7
135.11693	2.6
137.09618	2.1
141.06992	7.7
142.07790	5.5
143.08571	19.5
144.09328	1.3
145.06464	8.1
145.10123	66.9
146.07309	1.4
146.10492	1.2
147.08025	8.6
147.11671	7.7
149.09590	3.6
151.11137	1.2
153.07060	1.5
154.07787	1.9
155.06039	1.2
155.08522	10.9
156.09279	1.6
157.10126	23.3
159.08087	8.0
159.11694	29.9
161.09630	9.6
161.13271	3.9
163.11150	3.2
168.09363	2.8
169.10126	14.4
171.11690	18.6
173.09637	8.8
173.13258	13.4
175.11208	12.0
175.14864	1.7
177.12955	1.1
181.10069	1.4
183.11708	14.8
185.13260	5.0
187.11200	14.3
187.14821	2.4
189.12779	3.7
195.11682	1.3
197.13232	12.3
199.14841	5.1
201.12741	6.7
209.13141	1.2
210.14125	2.2
211.14809	4.2
213.16380	4.9
215.14355	5.5
215.17888	3.2
229.19545	4.8
239.17964	25.7
240.18440	1.3
257.19009	100.0
258.19406	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	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.2
55.05508	11.1
56.55400	1.4
57.03439	17.1
57.07067	1.8
66.91330	1.3
67.05501	22.2
69.03413	1.4
69.07064	8.1
69.65752	2.5
69.66167	6.9
72.08150	3.4
79.05488	13.1
81.07049	12.2
83.08604	4.9
85.06532	2.9
90.09158	2.8
91.05477	23.1
93.07024	11.3
95.04939	2.7
95.08595	14.7
97.06524	2.3
98.20740	2.0
99.08108	2.6
105.07029	20.2
107.08578	5.6
109.06503	3.3
109.10169	5.1
115.05434	6.2
116.06237	3.6
117.06232	2.7
117.07021	39.7
118.07300	1.7
119.08577	16.2
121.10131	5.2
128.06210	9.3
129.07002	37.5
130.07762	4.8
131.08560	43.8
133.06454	2.5
133.10149	8.8
135.08025	1.9
135.11650	2.9
141.06956	7.4
142.07768	5.7
143.08549	29.9
144.09302	2.1
145.06511	3.1
145.10118	79.8
147.08055	1.4
147.11682	10.1
154.07730	2.1
155.08560	10.7
157.10135	24.8
158.10738	1.4
159.11693	36.8
161.09575	4.1
161.13214	2.3
168.09355	1.5
169.10126	15.6
170.10901	1.7
171.11665	15.5
173.09695	2.2
173.13255	15.4
175.11182	5.1
181.10126	1.8
183.11685	15.8
185.13251	70.1
186.13634	1.5
187.11163	5.4
187.14816	1.4
189.12773	1.5
197.13223	12.9
199.14786	5.1
201.12779	3.1
201.16412	4.9
210.14024	3.0
211.11324	1.9
211.14833	3.6
213.16328	2.9
215.14255	1.8
215.17889	1.5
229.19528	4.2
239.17944	27.9
241.46953	1.4
257.11655	2.7
257.19003	100.0
257.26547	6.6
258.19388	3.6
258.27914	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
52.66633	1.2
55.05510	6.5
57.07063	2.5
62.24125	1.2
67.05507	6.6
69.07078	8.1
69.65392	8.6
69.65783	2.6
71.04974	4.8
72.72520	1.3
79.05492	7.9
81.07067	7.6
83.04967	2.1
83.08624	2.9
85.06526	3.1
91.05479	10.5
93.07041	15.5
95.04950	5.1
95.08603	14.2
96.98316	1.3
97.06520	3.3
98.20752	2.6
103.19517	1.2
105.07027	26.7
107.08584	15.0
107.59824	1.1
109.06519	5.7
109.10146	11.2
111.08089	1.4
115.05369	2.1
117.07002	4.7
119.08571	23.6
121.06497	1.2
121.10136	70.3
121.58424	1.3
123.08035	4.0
123.11722	2.0
128.06207	3.8
129.06979	5.0
130.07803	1.9
131.08565	14.6
133.07539	1.4
133.10123	12.7
135.08058	13.7
135.11665	3.2
137.09613	6.0
139.13510	1.3
141.06960	1.9
142.07745	7.2
143.08556	21.1
144.09312	3.8
145.10107	18.9
147.11687	4.3
147.57301	1.2
149.09602	4.4
151.11203	2.2
155.08498	6.2
156.09366	6.9
157.10120	24.8
158.10857	4.0
159.08067	2.6
159.11679	26.6
161.09673	1.5
161.13203	2.7
163.11148	4.6
168.09346	2.7
169.10117	12.9
170.10858	3.0
171.11665	14.2
172.12343	1.7
173.09583	4.0
173.13251	26.4
174.13974	3.6
175.11212	1.7
175.14796	2.8
177.12723	1.4
181.10149	1.5
182.10826	2.0
183.11705	11.6
184.12439	3.5
185.13237	4.1
187.11148	8.0
187.14761	5.3
189.12718	1.8
195.11708	1.7
197.13281	10.4
198.13933	1.3
199.14819	36.2
201.12781	7.3
209.13226	3.0
211.14793	1.9
213.16354	11.8
214.17073	2.1
214.36655	1.4
215.14526	2.7
215.17926	8.7
224.15500	1.9
239.17915	12.7
257.18982	100.0
258.19260	3.8
258.27969	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.02386	0.5
53.03939	0.8
55.01860	1.5
55.05261	0.9
55.05511	12.9
57.03436	2.0
57.07064	2.4
60.08163	1.9
65.03946	1.4
67.05502	26.0
69.06742	0.7
69.07063	5.0
71.04997	1.1
71.58411	1.3
77.87015	0.6
79.05064	0.8
79.05498	8.2
81.07058	11.5
83.04977	1.4
83.08609	2.7
85.06531	0.9
91.05479	16.0
93.07047	6.0
95.04988	1.5
95.08595	7.9
97.06527	1.6
97.10157	1.2
103.05481	1.2
105.07033	13.0
107.08584	4.0
109.06535	0.7
109.10146	4.2
115.05441	2.7
116.06209	0.8
116.98610	1.1
117.07016	17.1
119.08590	6.7
121.06536	0.7
121.10130	2.3
123.08085	1.4
128.06227	7.0
129.07018	12.1
130.07793	5.2
131.08565	43.6
132.08904	0.9
133.06477	1.5
133.10141	4.6
135.11699	0.6
141.06993	7.9
142.07806	3.1
143.08557	25.6
143.09697	1.2
144.09326	1.1
145.06480	1.8
145.10121	100.0
146.10452	2.7
147.08034	1.4
147.11684	3.5
149.09596	1.4
153.06937	1.2
154.07782	2.4
155.08542	9.2
156.09288	1.7
157.10126	10.2
159.08093	1.1
159.11687	16.2
161.09650	1.8
161.13242	1.7
167.08640	0.6
168.09320	1.9
169.10129	12.4
171.11678	21.1
172.12001	0.9
173.09622	1.8
173.13263	9.4
175.11197	2.2
175.14807	0.6
177.12749	0.9
182.11044	0.9
183.11687	17.1
183.13237	1.3
184.12321	0.8
185.13235	5.3
187.11191	3.7
187.14828	1.9
188.12117	0.7
189.12755	1.0
195.11725	1.1
197.09630	4.6
197.13234	12.0
199.14796	2.7
201.12825	1.7
210.13847	0.7
211.14857	3.1
213.16420	2.0
215.14264	1.8
215.17947	1.4
225.09099	2.0
229.19525	3.2
239.17935	16.3
240.18159	1.2
257.11774	5.2
257.19012	47.5
257.26501	1.3
257.27304	1.1
257.30292	10.7
258.19394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.43822	1.3
55.05506	11.2
57.03431	2.7
57.07069	3.0
65.03943	1.9
67.05502	23.9
69.07068	7.4
70.04398	5.7
71.04980	2.6
72.08134	4.2
76.82652	1.1
79.05493	13.1
81.07059	18.8
83.04977	4.7
83.08601	3.3
85.06519	2.3
91.05482	23.9
93.07040	18.7
95.04970	5.2
95.08613	12.0
97.06548	1.9
97.60367	1.3
105.07031	32.4
107.08603	12.9
107.78269	1.3
109.06512	4.5
109.10158	10.4
111.08098	2.3
115.05451	4.1
116.06245	3.0
117.07021	27.7
118.35416	1.2
118.99402	1.2
119.08581	22.4
121.06502	2.2
121.10142	76.8
123.08077	5.8
125.09603	1.8
128.06194	7.0
129.07004	25.4
130.07803	4.5
131.08565	55.6
133.06506	2.8
133.10149	10.6
135.08046	12.3
135.11696	3.8
137.09612	5.4
141.06993	9.2
142.07768	8.4
143.08565	34.6
144.09297	1.6
145.06424	2.8
145.10123	73.0
147.08083	3.1
147.11685	4.4
149.09596	4.1
153.06975	2.3
154.07768	3.1
155.08543	11.6
156.09277	4.0
157.10130	27.0
159.08043	4.8
159.11694	28.9
161.09618	5.2
161.13188	2.7
163.11223	2.4
167.08534	2.1
168.09296	4.0
169.10126	18.3
171.11691	23.8
173.09625	3.9
173.13272	18.8
174.41826	1.4
175.11192	3.9
182.10953	1.5
183.11703	21.8
185.13315	7.9
187.11194	5.7
187.14827	2.2
189.12802	1.6
197.13260	16.8
199.14838	24.4
201.12634	6.4
210.13968	1.7
211.14836	4.0
213.16385	7.5
214.17244	1.5
215.14336	4.2
215.17957	6.6
229.12029	1.5
229.19496	4.0
234.58240	1.5
239.15749	1.9
239.17966	28.0
239.88031	1.3
240.18321	1.4
257.11731	4.7
257.19003	100.0
257.26593	3.1
258.19247	2.9
258.27835	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	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21374	0.7
53.03930	0.9
55.01868	1.1
55.05507	11.0
56.83632	0.7
57.03434	5.3
57.07055	2.9
59.04988	1.4
60.08153	1.2
65.03957	1.3
67.05505	26.1
69.07054	4.9
71.04990	1.9
76.29176	0.8
79.05495	7.2
81.07054	13.3
83.08607	3.8
85.06543	1.2
91.05472	11.9
93.07044	4.7
95.04940	2.0
95.08592	7.8
97.06521	1.3
97.10133	1.9
99.08064	1.2
103.05408	0.9
105.07027	12.2
107.04969	0.9
107.08589	4.9
109.10136	5.6
111.11631	0.9
115.05470	2.5
116.06308	2.1
116.98614	1.3
117.07014	21.2
119.08581	7.0
121.10117	2.3
128.06198	8.0
129.07007	16.1
130.07788	5.1
131.08566	35.1
133.06479	1.6
133.10114	5.4
134.99619	1.5
135.08032	0.8
135.11639	1.4
140.06886	1.1
141.06975	6.2
142.07764	3.0
143.08560	25.9
144.09331	1.8
145.10117	100.0
146.10510	1.1
147.08038	1.3
147.11719	4.3
154.07809	1.5
155.08528	6.6
156.09290	1.3
157.10129	17.2
159.08040	1.2
159.11687	26.4
161.09622	2.7
161.13313	1.4
167.08566	1.2
169.10135	10.5
170.10808	1.0
170.25565	1.0
171.11690	19.5
173.09608	2.2
173.13248	13.2
175.11168	2.5
183.11693	13.4
185.13240	17.8
187.11160	3.0
187.14774	1.1
197.13260	13.1
199.14781	3.2
201.12781	1.7
201.16490	1.9
210.13977	1.2
211.14803	2.5
213.16388	3.2
215.14256	1.7
215.17955	1.4
229.19499	3.0
239.17944	20.5
257.19006	59.1
257.30322	10.0
257.60144	0.9
258.19388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66167	9.8
69.78074	26.8
69.78472	32.5
94.93005	66.7
98.82102	10.7
131.01965	14.9
133.38826	10.4
136.94011	62.0
141.80603	10.9
173.30531	9.4
176.93523	33.5
238.97093	100.0
256.98187	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0807
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
50.76571	0.3
52.12587	0.3
53.03923	0.9
55.01872	0.5
55.05505	0.7
56.84898	0.4
57.41818	0.3
57.98003	0.3
62.69219	0.3
65.03931	0.9
65.06185	0.4
67.05511	2.0
68.99795	1.7
69.03434	0.8
69.24361	2.1
69.24788	2.5
71.04991	0.4
79.05495	1.2
81.03417	8.0
81.07064	2.0
83.04987	2.7
83.08650	0.5
85.02901	0.5
86.71150	0.5
91.05482	8.9
93.07041	1.0
95.04973	3.9
95.08591	0.4
96.02108	0.7
97.02914	0.3
98.20668	0.9
103.05447	0.5
105.07021	1.3
107.04988	2.0
109.02875	1.5
109.10132	0.6
111.04438	3.2
115.05416	0.5
117.03372	3.6
117.07020	1.2
119.04946	16.6
119.08601	0.7
121.02846	0.5
121.06502	0.7
123.04424	3.3
124.90166	0.4
127.03915	1.0
128.06207	1.2
129.06987	1.3
131.08557	1.8
133.06444	0.4
135.04420	0.9
137.02338	100.0
138.02646	1.2
141.06990	1.6
142.07713	0.6
143.08560	1.7
145.06523	1.3
145.10133	3.1
147.04411	34.6
149.05901	0.7
152.06204	0.5
153.06996	1.5
154.07832	0.5
155.03369	1.5
155.08546	1.9
157.06491	0.5
157.10107	0.4
159.08063	1.0
159.11676	0.5
163.03920	2.6
165.07002	2.7
167.08572	0.6
168.05713	0.6
168.09354	0.7
169.06464	0.4
169.10165	1.2
171.08043	1.6
171.11658	0.9
173.09624	0.6
178.07791	0.8
181.06383	0.6
182.07225	0.4
183.08084	1.6
183.11681	1.3
185.09595	0.8
185.13191	0.5
187.07466	0.8
187.11206	1.0
193.10188	0.6
196.08871	0.7
197.06009	1.0
197.09592	0.9
199.07574	0.6
201.09007	0.6
211.07524	4.6
211.11090	2.2
215.07138	0.6
215.10666	1.2
229.12271	1.1
239.07028	5.0
239.10674	1.1
242.05763	2.7
249.04210	0.4
257.08087	67.8
257.11612	4.5
257.18994	1.4
258.08356	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
54.03454	0.7
55.01875	2.4
56.04789	0.6
56.05035	7.5
56.96554	1.6
57.03440	5.2
58.06577	0.5
61.02916	1.4
68.05026	2.2
69.03431	6.2
69.04565	2.1
69.54697	1.7
69.55119	1.7
70.06609	2.3
71.01339	1.2
71.04984	0.7
72.08144	1.1
73.02927	2.8
75.75305	0.4
80.05009	1.8
81.04542	5.5
81.39247	0.5
82.06560	1.3
83.06103	24.0
84.04488	0.5
84.08144	5.3
84.96002	0.5
85.02901	4.2
86.06060	11.2
87.04448	0.8
94.06564	0.5
96.04498	1.1
96.08128	0.5
97.02885	2.4
97.07091	0.7
97.07658	9.4
98.97590	0.9
99.09215	2.0
100.03947	0.7
102.05544	0.6
109.03988	3.1
109.07631	5.5
110.07141	1.1
111.09185	1.6
114.05529	40.4
115.02462	0.6
115.03923	1.6
116.98633	1.0
119.01900	1.6
122.06038	0.6
124.03953	88.0
125.04297	0.9
127.05038	21.0
127.08680	9.8
128.98544	0.5
130.08626	1.6
132.03574	0.5
133.03429	1.0
133.05002	2.9
134.05986	0.5
137.07164	0.6
138.05527	0.5
145.03450	0.6
149.02946	0.6
150.09190	0.6
152.07018	0.6
153.05673	0.8
155.08150	100.0
156.08511	0.6
161.02994	0.7
163.04655	0.4
165.54637	0.5
170.06203	0.5
174.55099	0.6
175.00893	0.4
178.04950	0.5
181.56616	0.5
183.55652	0.4
186.04514	0.7
186.06190	1.0
186.07660	0.8
188.07671	0.7
190.98717	0.6
206.08746	0.7
210.12402	0.9
218.33385	0.5
246.06607	0.5
251.02597	1.1
256.03058	0.7
256.10208	1.0
256.12946	20.1
257.14752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03473	0.8
55.01862	2.5
56.05037	8.0
56.96555	2.7
57.03417	3.0
59.81072	0.7
61.02906	1.7
68.05018	2.3
69.03432	4.5
69.04549	1.0
70.06583	1.4
71.01331	0.8
71.22634	1.3
73.02915	2.5
80.05003	1.4
81.04535	4.7
82.06569	0.9
83.05634	1.3
83.06099	17.9
84.08141	12.1
85.02890	4.2
86.06063	10.9
87.04459	0.8
95.06054	1.1
96.04467	1.3
97.02904	2.0
97.07664	8.1
98.97562	2.3
99.09193	2.2
100.07624	0.8
109.04015	1.9
109.07643	5.5
110.07175	1.2
113.40414	0.7
114.05533	38.8
116.98634	1.9
119.01917	1.2
123.05558	2.9
124.03955	66.4
124.05875	3.2
125.04342	1.1
127.05039	15.0
127.08704	6.4
128.98624	1.2
130.08636	5.6
133.04976	1.4
138.05521	4.4
138.54182	1.2
144.54114	1.0
146.99619	1.2
155.08154	100.0
172.93161	0.7
174.55222	2.9
183.55791	1.3
186.04431	1.1
189.00568	0.9
189.77229	0.8
199.04315	0.8
208.45575	0.8
210.12491	1.7
219.01814	0.8
246.06494	2.6
256.08731	1.1
256.12958	20.8
258.06595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52543	1.0
52.30794	0.9
55.01866	2.7
55.05503	2.7
56.05019	3.5
56.96550	3.5
57.03438	6.3
61.02901	2.7
68.04998	1.5
69.03436	5.9
69.79816	7.5
70.06575	2.0
73.02898	4.6
73.06552	1.7
80.05012	3.4
83.04969	1.9
83.06097	8.3
84.08136	11.9
84.96054	1.3
85.02908	6.2
86.06053	3.9
93.04519	1.6
94.06516	1.2
95.06100	5.4
95.73137	1.2
96.04452	1.5
97.02879	3.7
97.07652	3.0
98.97548	2.8
100.88724	1.0
101.06000	5.9
107.63636	1.2
109.07627	1.4
110.07167	21.0
111.07470	1.1
112.07581	1.3
114.05527	14.4
115.03940	1.8
115.62764	1.2
119.01888	2.1
123.05533	3.1
124.03949	100.0
124.05872	3.7
127.05003	6.3
127.08653	2.7
130.08621	8.6
133.04924	3.5
134.06023	1.3
134.99612	2.0
138.05486	4.4
139.08867	1.1
146.99593	1.4
152.07103	1.5
155.08145	33.2
161.02994	1.8
166.04778	1.3
173.01442	1.3
173.02905	1.2
174.55197	2.5
183.55740	1.4
186.04411	2.7
192.11314	1.4
195.11272	2.4
204.05508	1.8
210.12387	25.7
211.10625	1.3
246.06503	2.7
251.02419	1.2
256.08420	1.9
256.12967	28.1
256.26340	5.1
278.40454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
56.05026	2.7
56.96550	2.5
57.03431	5.8
61.02911	1.5
66.59797	0.5
69.03429	5.2
69.04535	0.6
69.44539	3.7
69.44956	1.3
70.06593	1.2
71.01379	0.9
73.02927	3.9
80.05019	1.8
81.03410	0.7
81.04522	0.9
83.06101	8.3
83.90757	0.5
84.08145	6.8
85.02898	5.6
86.06070	4.3
87.04460	0.9
89.63670	0.6
95.76096	0.6
96.04502	1.0
97.02886	2.7
97.07663	3.0
98.97588	1.5
99.04506	0.6
99.09217	1.3
100.03999	0.7
100.07609	0.7
100.65877	0.6
101.06032	0.7
109.04006	1.2
109.07648	2.7
110.07167	2.2
114.05531	11.6
115.03925	2.3
116.98618	1.4
119.01877	1.2
122.25483	0.6
123.05582	1.7
124.03953	100.0
124.05875	2.6
125.04281	1.6
127.04006	1.0
127.05041	7.5
127.08685	2.4
130.08627	6.9
131.01938	1.4
133.04926	3.2
134.06001	0.7
138.05475	3.1
144.54095	0.7
146.08109	1.4
146.99619	1.2
152.07138	0.8
155.08151	34.1
157.07927	0.8
161.02956	0.9
168.03389	0.7
173.02940	0.9
174.55203	2.3
175.05359	0.6
177.00668	0.6
180.13412	0.6
185.02957	0.9
186.04407	1.3
210.12486	0.9
219.01884	0.6
222.06575	0.8
245.05127	1.1
246.06616	1.1
256.05768	0.7
256.08426	0.9
256.12949	7.3
256.26523	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57682	0.5
53.01500	0.4
55.01870	3.0
55.05506	0.5
55.69060	0.4
56.05027	0.9
56.96550	0.7
57.03432	4.8
61.02919	1.4
63.74841	0.4
69.03422	3.4
69.77274	2.6
71.01341	1.3
73.02919	2.8
80.05019	2.3
82.06562	0.7
83.06097	2.5
84.08155	2.8
85.02895	4.2
86.06074	0.9
87.04481	0.7
92.91156	0.4
95.06094	0.4
96.04491	1.4
97.02885	1.6
97.07640	1.1
100.59464	0.4
101.06033	0.7
107.90755	0.5
110.07137	2.5
114.05547	2.8
115.03918	2.3
119.01907	0.8
123.05528	0.9
124.03951	100.0
125.04243	1.0
127.03873	0.7
127.05032	1.7
127.08608	0.6
130.08658	1.6
131.01852	0.5
133.04980	3.6
134.06000	0.7
138.05533	2.3
152.07085	0.9
155.08157	8.9
161.02843	0.6
174.55214	1.3
183.55695	0.5
189.00754	0.4
210.12436	2.3
234.02515	0.5
246.06558	0.7
251.02821	0.5
256.08273	1.0
256.13016	3.2
256.26361	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02411	0.8
53.03935	2.0
55.01859	2.7
55.05512	7.3
57.03416	1.3
57.07040	1.0
67.05502	11.5
69.03420	2.5
69.07054	3.1
70.06588	5.2
71.04983	5.3
71.57214	1.2
71.57562	1.0
72.08150	100.0
79.05061	1.7
79.05483	18.0
81.03407	1.8
81.07040	8.0
83.04977	11.6
84.04475	1.3
84.08129	2.0
85.02888	1.5
85.06532	1.2
87.04490	1.2
89.10783	2.8
90.09174	3.5
91.05473	6.7
93.07035	14.7
94.07299	0.8
95.04917	2.3
95.08608	4.8
97.02875	2.1
97.06512	1.4
98.06063	7.3
98.98463	10.1
105.07039	5.6
107.04919	1.2
107.08593	14.5
109.06493	1.9
109.10149	1.3
110.06007	1.2
119.08589	2.6
121.03870	0.9
121.10145	5.6
123.08054	1.8
126.09145	0.9
131.08530	3.7
135.11700	1.2
137.06578	1.4
137.09540	1.8
139.05045	1.0
149.09590	6.5
154.12236	1.1
155.49530	0.9
166.12262	1.4
167.10695	2.2
178.12254	2.3
184.13348	1.4
208.16913	5.4
219.65306	0.8
220.16949	9.2
225.19618	1.5
237.19640	5.7
238.17996	51.7
239.18317	1.8
255.20663	53.9
256.21024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1742
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03953	2.3
55.05506	7.1
57.03439	2.1
57.07059	2.2
67.05492	6.0
67.64563	1.5
69.03411	5.8
69.07051	6.5
69.90586	3.0
69.90994	4.9
71.04989	2.9
77.35855	1.4
79.05497	9.5
81.03399	5.8
81.07039	6.4
83.04973	15.2
83.08620	2.3
85.06510	2.2
91.05466	13.0
93.07033	26.0
95.04955	4.0
95.08589	4.7
97.02882	1.9
97.06516	9.5
98.21406	1.8
98.98460	21.9
105.07029	16.4
105.91967	1.4
107.08577	9.0
109.02846	2.7
109.06517	11.4
111.04455	10.8
111.08071	2.3
117.07000	5.6
119.08558	15.2
121.06496	1.7
121.10122	5.8
123.08030	2.8
127.03894	2.6
128.06226	4.1
129.06981	5.6
131.08534	5.3
133.06517	9.2
133.10120	8.2
135.04366	1.6
135.08034	13.7
135.11694	3.4
141.06972	10.4
142.07770	7.4
143.08557	18.2
145.10143	5.4
149.09618	5.1
153.06949	4.1
154.07745	1.8
155.08554	16.9
156.09352	13.4
157.10080	17.9
159.11681	4.9
165.06987	4.5
167.08565	15.3
168.09358	4.1
169.10114	27.5
170.10860	5.1
171.11699	20.3
173.09731	2.7
173.11682	1.3
173.13277	2.2
179.08569	2.9
180.09311	2.7
181.10120	15.2
182.10880	22.5
183.11693	12.2
184.12471	3.9
185.09686	2.8
185.13174	9.0
193.10153	3.8
194.10924	2.8
195.11650	12.4
196.12460	6.7
197.13234	78.5
198.13896	5.3
199.11081	9.0
207.11674	10.2
208.12425	3.5
209.09837	2.1
209.13219	4.6
211.14812	38.0
212.15552	13.5
213.12743	5.9
213.16339	38.3
222.14040	6.3
225.12741	3.4
227.14270	2.0
227.18036	2.2
237.16368	18.7
240.15010	2.7
255.17441	100.0
256.17722	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01857	4.9
55.05236	1.6
55.05509	34.9
57.03437	59.8
57.07066	4.0
65.03939	3.2
67.05504	97.3
67.63622	1.9
69.03422	3.8
69.07068	29.3
71.01340	5.3
71.04990	11.6
77.03900	1.7
79.05490	92.5
81.03403	14.7
81.07055	43.3
83.04981	39.1
83.08620	9.6
84.40536	1.7
85.02893	2.0
85.06528	5.2
91.05479	38.4
93.07042	100.0
95.04978	12.9
95.08614	13.2
97.06535	23.1
97.10167	18.4
97.52489	1.6
98.98472	16.3
99.04429	2.2
99.08077	5.6
105.07043	11.3
107.04945	3.3
107.08588	59.8
108.08980	1.8
109.06512	2.8
109.10142	10.6
111.04415	4.8
111.08069	5.1
113.06034	1.9
117.07017	7.6
119.07835	1.7
119.08570	13.0
121.06517	3.2
121.10165	12.2
125.09618	4.2
133.10114	5.6
135.11688	95.4
136.12004	2.3
137.09595	2.4
145.10138	17.0
153.12675	3.5
157.74124	1.7
159.11705	2.0
163.11201	16.6
163.19719	1.5
181.12187	12.7
241.10771	1.7
255.06523	2.5
255.15790	38.1
255.21082	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01880	5.0
55.05510	38.6
57.03437	59.3
57.07077	4.6
57.82330	1.3
65.03932	3.8
67.05502	89.6
69.03419	1.7
69.06723	2.4
69.07069	27.6
69.65089	4.7
69.65519	5.7
71.01343	7.4
71.04987	8.0
79.05492	89.5
81.03413	11.6
81.07050	42.8
83.04979	31.5
83.08606	8.3
85.02917	1.5
85.06548	6.5
91.05479	37.2
91.06017	2.8
93.07040	100.0
95.04967	10.7
95.08601	12.9
97.06534	22.6
97.10163	15.8
98.98451	11.0
99.08076	3.4
101.72966	1.4
105.04530	2.9
105.07025	8.3
107.04948	3.0
107.08594	58.3
108.08913	2.1
109.06551	2.0
109.10168	9.1
111.04433	1.6
111.08085	3.0
117.07028	10.7
119.08585	10.7
121.06483	2.9
121.10133	12.5
125.09679	4.5
126.31851	1.4
130.07808	1.5
133.10121	5.8
135.08058	2.6
135.11691	92.7
136.12050	1.5
137.09621	4.0
143.08511	2.1
145.10124	18.3
153.12782	2.4
163.11165	13.3
181.12218	14.3
255.13364	2.6
255.15886	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01873	4.0
55.05508	37.5
57.03150	3.8
57.03435	56.8
57.07065	5.1
62.56107	2.3
67.05502	99.0
69.03434	2.5
69.07076	28.2
69.65229	6.1
69.65646	8.4
71.01344	6.8
71.04984	8.6
75.75749	1.7
79.05491	89.5
81.03392	11.1
81.07056	42.7
83.04980	27.3
83.08620	8.2
85.06537	6.6
87.45338	1.9
91.05473	39.9
91.06011	2.6
93.07040	92.1
95.04953	15.0
95.08610	14.6
97.06530	21.5
97.10171	19.1
98.20744	2.9
98.98472	2.5
99.04453	2.8
99.08086	3.9
105.07041	7.7
107.04951	3.6
107.08587	62.3
107.09301	3.6
109.06554	2.4
109.10136	11.2
111.08086	4.3
117.07017	9.4
119.08573	12.9
121.06516	4.1
121.10126	13.8
121.58083	1.9
125.05991	2.0
125.09620	4.4
127.07850	2.2
130.07846	2.8
133.10138	4.1
135.08099	3.2
135.11687	100.0
137.09625	2.7
145.10124	20.2
153.12811	2.4
163.11151	12.6
180.00063	2.0
181.12192	13.9
213.57101	2.1
248.43462	1.8
255.15910	41.1
256.51450	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03936	4.4
53.32058	1.2
55.01866	4.6
55.05263	2.2
55.05510	31.2
57.03437	59.0
57.07067	5.1
65.03924	3.1
67.05505	96.9
69.03421	3.7
69.07071	25.6
70.84238	4.4
71.01355	6.4
71.04993	9.8
79.05492	82.0
81.03424	11.0
81.06586	2.3
81.07059	41.8
83.04984	32.3
83.08630	8.0
85.06535	8.6
91.05481	36.5
91.28966	1.3
93.07043	92.0
94.07404	1.5
95.04978	12.2
95.08607	15.4
97.06526	22.0
97.10171	17.7
98.98463	5.9
99.04458	2.2
99.08091	4.6
105.07039	8.3
107.04958	2.5
107.08595	60.9
109.06520	3.0
109.10162	9.6
109.10793	1.9
111.04439	1.7
111.08091	4.2
115.05389	1.8
117.07002	10.5
119.08563	11.7
121.06495	2.9
121.10159	12.5
125.09676	3.5
130.07773	1.9
133.10124	5.8
135.11693	100.0
136.12015	1.6
137.09586	2.9
145.10115	19.3
153.12767	2.0
163.11201	11.7
165.21312	1.4
181.12213	12.6
255.15891	43.2
255.18550	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.9
53.03935	6.1
54.00121	1.7
55.01863	5.8
55.05510	38.3
57.03437	63.2
57.07069	5.7
60.61617	1.7
65.03928	4.4
67.05506	99.1
68.99831	2.1
69.03410	4.1
69.07067	30.6
70.06598	2.4
70.20092	8.9
71.01354	5.0
71.04997	11.5
72.83280	2.1
77.86825	1.7
79.05494	94.6
81.03416	11.3
81.07059	47.2
83.04984	36.7
83.08593	7.9
85.06532	7.3
91.05486	43.1
93.07046	96.2
95.04959	14.7
95.08607	17.9
95.22732	2.0
97.06535	27.9
97.10178	23.1
98.98456	27.8
99.04440	4.3
99.08112	4.4
105.07030	9.2
107.04962	5.2
107.08594	62.2
108.07424	2.0
108.09549	2.1
109.06518	4.9
109.10140	10.5
111.04459	5.4
111.08076	3.8
117.07030	10.6
119.08575	11.7
121.06493	3.1
121.10164	16.7
125.09612	5.1
133.10121	5.5
135.08051	4.9
135.11691	100.0
137.09621	3.3
143.08583	6.7
145.10135	17.7
153.01836	3.2
153.12718	4.1
163.11189	13.9
169.10172	2.8
171.11601	2.7
173.88229	2.0
179.54054	2.2
181.12257	13.1
185.09613	2.1
225.09195	2.7
255.06526	34.0
255.13350	3.9
255.15706	36.1
255.21153	2.9
256.06836	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.6
51.94761	1.3
53.03946	4.4
55.01870	4.4
55.05510	32.3
57.03439	56.4
57.07073	3.8
65.03942	2.7
67.05505	91.2
68.05843	1.3
69.03433	5.3
69.07071	27.4
70.24959	6.4
70.91538	1.1
71.01354	4.2
71.04658	1.2
71.04988	8.1
71.58646	1.3
73.06594	1.4
73.93349	1.5
77.03900	1.4
79.05492	85.6
81.03426	11.1
81.07055	41.6
82.07432	1.3
83.04979	31.0
83.08618	8.6
85.06532	7.6
91.05482	37.7
93.07043	100.0
95.04980	11.5
95.08606	13.9
97.06535	20.8
97.10168	17.8
98.21416	1.8
98.98463	13.4
99.04464	2.2
99.08096	4.0
105.04530	1.9
105.07047	8.3
107.05033	1.5
107.08592	57.5
109.06544	2.5
109.10129	8.8
111.04436	2.3
111.08073	4.4
117.07011	9.1
117.80533	1.3
119.08564	10.8
121.06535	1.9
121.10130	12.5
125.09609	3.7
130.07797	2.3
133.10144	5.0
135.08144	2.4
135.11691	84.1
136.12000	1.4
137.09610	3.4
143.08595	1.6
145.10123	16.9
153.12799	2.4
163.11182	10.7
181.12212	8.6
255.15839	36.0
255.18074	2.3
277.72733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01860	5.4
55.05511	39.5
57.03437	62.1
57.07064	4.2
65.03952	3.8
67.05506	100.0
69.07068	32.6
70.73505	7.2
71.01340	7.4
71.04988	9.5
77.03917	2.5
79.05495	88.8
81.03414	15.0
81.07062	44.5
83.04984	37.3
83.08624	7.8
85.06530	9.6
91.05476	35.3
93.07043	99.5
93.07636	4.7
95.04967	14.0
95.08594	13.2
97.06535	25.8
97.10176	17.9
98.98452	16.4
99.04451	3.7
99.08076	5.3
105.07018	7.4
107.04939	3.1
107.08596	58.6
109.06485	2.5
109.10158	11.4
111.04437	6.7
111.08055	3.8
117.07007	9.4
119.08631	12.7
121.06496	4.3
121.10159	13.7
121.40329	2.1
125.09659	5.1
133.10107	5.5
135.11688	88.6
137.09587	4.8
143.08563	3.1
145.10109	14.3
149.18202	2.0
163.11224	10.6
165.81650	2.0
181.12265	16.1
255.15860	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
53.49989	1.9
55.01867	4.1
55.05266	2.7
55.05508	36.5
57.03435	60.6
57.07063	6.4
58.11585	1.6
67.05504	100.0
69.03420	3.9
69.07064	31.6
69.27385	2.6
69.27787	17.6
71.01337	4.7
71.04979	9.7
79.05490	93.2
81.03415	16.1
81.07053	41.7
83.04982	37.1
83.08617	8.3
85.02883	3.8
85.06544	6.5
91.05479	40.8
93.07038	93.9
94.07299	1.7
95.04957	11.2
95.08607	12.9
97.06521	25.1
97.10182	16.4
98.20782	3.2
98.98462	21.0
99.04439	2.5
99.08067	3.9
105.04522	3.0
105.07011	9.9
107.04933	2.4
107.08595	59.8
109.02879	2.1
109.06496	4.8
109.10153	11.1
111.04445	6.3
111.08068	3.9
111.98356	1.7
117.07012	14.0
119.08560	15.2
121.06529	3.9
121.10130	13.0
125.09593	4.2
128.06213	1.7
129.07004	3.1
131.08582	2.1
133.10124	6.2
135.08072	2.4
135.11682	93.4
137.09639	3.2
143.08563	2.2
145.10110	20.9
153.12753	2.9
155.08522	2.2
157.10115	2.7
163.11151	10.9
181.12221	13.1
183.11580	2.6
212.10811	1.6
213.12556	1.9
255.06563	2.5
255.15775	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79158	0.5
53.03925	0.5
55.05502	1.9
57.03447	0.6
58.02950	1.3
60.04506	0.6
63.12358	0.4
67.05485	1.4
69.07049	1.3
70.06564	0.5
71.57933	0.8
72.08143	0.5
79.05489	2.9
80.05001	0.8
81.07058	2.7
83.04961	0.5
83.08570	0.7
84.08131	0.6
86.09715	0.5
88.03987	2.3
91.05467	1.6
93.07046	6.1
94.06545	0.6
95.04931	0.6
95.08591	1.5
96.04507	0.5
96.08115	0.5
98.98469	4.4
105.07025	1.2
107.04848	0.4
107.08594	3.4
108.08112	4.8
109.08919	0.5
109.10144	0.6
110.09669	0.8
114.05495	0.4
114.09174	0.5
119.08595	0.8
121.10144	1.6
122.09673	6.8
126.05519	0.9
128.07062	0.9
135.11699	3.0
136.11212	3.0
137.13245	0.6
137.20628	0.5
138.05487	1.9
140.07071	0.6
142.08636	1.9
150.12787	3.0
151.13573	3.6
152.07033	1.5
153.07883	0.9
154.08640	1.0
156.10214	1.3
164.14354	7.2
165.09158	1.0
166.08626	2.2
166.19078	0.5
167.07104	0.7
167.09447	0.6
168.10190	2.9
180.10168	4.2
181.10953	1.6
182.11729	0.9
193.08661	1.0
208.13359	1.7
210.14888	100.0
211.15207	1.6
212.16457	6.3
225.17369	0.5
243.59853	0.4
254.17519	35.2
255.06464	1.1
255.17801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.9
55.01869	4.3
55.05508	33.5
57.03435	48.1
57.07060	3.3
63.66927	2.3
65.03924	3.1
66.16917	1.9
67.05503	94.6
68.98599	2.1
69.03420	6.8
69.07066	27.5
70.11926	10.3
71.01344	7.4
71.04971	8.1
79.05487	79.5
81.03415	15.9
81.07055	44.6
83.04977	39.3
83.08602	6.1
85.02868	2.5
85.06521	8.2
91.05476	38.4
93.07040	91.7
95.04956	16.6
95.08611	15.6
97.02921	3.1
97.06528	21.0
97.10163	16.3
98.98457	23.8
99.04443	6.0
105.07041	10.2
107.04942	2.8
107.08593	55.9
109.10133	8.7
111.04440	9.0
111.08045	3.7
117.06995	8.2
119.08592	10.1
121.06404	2.1
121.10169	16.4
125.09617	4.3
130.07805	3.1
133.10081	6.0
134.20406	2.1
135.11685	100.0
137.09659	2.2
143.08479	2.3
144.17488	1.9
145.10124	18.0
153.12729	3.6
157.10143	3.4
159.73759	2.1
163.11162	13.5
171.11691	2.1
181.12225	9.8
255.15785	32.5
271.05045	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48483	4.3
61.02915	8.3
63.75079	4.3
64.24940	4.4
71.01353	12.5
71.56248	5.1
75.04482	28.6
81.73909	4.6
84.40170	4.5
86.71146	6.1
95.39577	5.3
98.98468	78.4
103.03945	20.6
127.18188	5.3
127.61216	5.6
131.03387	6.5
132.49561	4.7
151.05872	7.7
159.02898	80.3
187.02367	7.8
187.52472	4.7
196.43578	4.7
219.04977	100.0
254.15041	5.1
254.17567	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	254.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28129	0.9
55.05502	4.4
56.05021	2.7
56.96549	1.9
57.03431	1.6
68.05005	1.7
70.06586	2.0
70.63991	2.4
72.08134	1.0
77.63481	0.7
79.05472	4.0
79.65717	1.1
81.04528	3.3
81.06595	1.0
81.07056	17.6
82.05299	3.9
83.05639	1.4
83.06099	21.4
84.08116	1.3
86.52870	0.9
93.04517	13.1
95.05517	1.6
95.06087	27.7
95.06699	1.7
98.06036	2.4
98.98476	8.4
107.06028	2.1
110.07159	100.0
111.05517	3.4
111.07486	0.9
112.08696	2.4
119.05972	0.9
120.05489	0.8
120.08057	1.1
121.07612	1.5
121.08409	3.0
122.07135	1.1
124.04057	0.7
124.07632	0.8
136.07561	1.1
137.05963	0.9
151.12375	1.0
156.07649	4.7
156.73523	0.7
163.12300	48.5
166.04912	1.1
167.11760	1.8
180.05124	8.4
180.07701	0.9
180.12480	3.1
181.03520	2.3
181.13252	1.3
190.13379	20.2
193.13379	6.6
195.11304	7.2
208.14441	69.8
209.12831	3.7
209.14668	1.5
209.74980	0.8
210.16029	1.6
212.49422	1.2
219.11324	1.3
236.13826	1.8
254.08917	3.3
254.14963	89.1
255.15361	1.8
256.99136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
70.09608	1.0
70.10014	1.6
79.05492	1.5
81.07075	3.0
82.07375	2.9
92.82635	0.7
94.04044	1.9
95.04367	0.6
98.21443	0.7
98.98466	10.6
107.30327	0.7
119.03550	2.5
120.03899	1.7
136.06181	100.0
136.79294	0.6
137.04538	7.6
137.05653	4.0
137.06624	68.9
138.04945	1.3
138.06749	0.6
147.04358	0.8
151.90558	0.6
192.57474	0.6
235.13792	27.2
253.14853	87.5
254.15167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.166
Annotation	Hexazinone
Peak:m/z	Relative Intensity
54.03466	2.8
56.05021	1.6
57.07073	1.2
59.06113	2.4
60.04526	18.5
69.07068	3.9
70.70213	2.4
81.04540	69.4
82.04195	0.6
82.90718	0.7
85.08806	0.7
86.09700	8.0
87.05620	0.8
91.05463	1.0
95.08609	0.9
98.09685	0.8
98.98468	39.9
100.98922	0.7
104.10751	9.6
107.06082	2.1
110.07172	14.8
114.09145	2.5
115.98824	0.7
116.99466	2.1
120.08105	29.2
122.07151	43.3
123.05518	0.8
123.07983	1.2
124.08714	57.6
125.09050	1.2
131.04930	0.9
138.09000	1.1
140.08176	2.5
150.06697	1.2
152.08168	0.7
162.09105	0.9
163.08064	0.8
166.08635	17.8
167.08961	0.8
172.95320	1.5
177.11357	2.9
190.13322	1.0
190.96252	0.9
207.11198	3.8
219.04933	0.8
225.17102	59.4
226.17354	1.0
235.15610	5.4
253.16605	100.0
254.16853	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	253.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.01870	13.2
55.05273	1.1
55.05513	17.8
55.26601	1.0
57.03446	6.3
57.07058	3.6
64.26607	0.8
65.03941	2.4
67.05505	61.7
69.03439	5.4
69.07066	25.6
69.83009	4.6
71.04984	6.4
79.05489	26.9
81.03416	8.0
81.07057	64.6
83.04987	11.9
83.08206	1.1
83.08630	10.8
85.06538	7.6
91.05479	45.9
93.07044	19.5
95.04959	11.0
95.08608	18.3
97.06510	5.6
97.10171	5.7
98.98464	92.4
99.04442	1.3
99.08070	1.5
100.98855	1.2
101.06016	1.3
105.07033	39.3
107.04955	2.2
107.07870	1.7
107.08594	30.0
109.06512	7.2
109.10155	55.4
110.94462	0.9
111.08084	1.4
111.11696	1.7
113.05976	2.5
115.07571	1.1
116.99479	3.6
117.07019	2.0
119.08590	6.4
121.10166	4.5
123.08087	1.9
123.11698	11.3
127.07516	2.3
131.08537	2.3
133.10129	70.6
135.11681	3.9
137.09673	1.0
140.01038	1.0
147.11668	1.8
149.13251	1.2
151.11186	37.2
153.12700	1.2
161.09621	2.6
161.13268	1.7
169.12173	5.2
174.99353	1.1
179.10660	2.4
189.16389	1.3
217.19490	3.1
235.20490	2.3
250.73010	1.0
253.14346	100.0
253.21701	2.2
254.14465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1183
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
54.03470	1.7
55.05519	0.8
56.05036	1.2
56.96555	1.1
57.07088	1.0
59.06133	0.8
60.04525	58.6
64.59229	0.6
64.59882	0.6
67.05498	1.0
69.03386	0.6
69.07061	3.5
69.76040	1.9
69.76455	1.6
70.02965	0.9
71.04966	0.7
75.57766	0.6
81.04540	51.0
81.07046	1.9
82.68283	0.5
84.08138	1.2
86.09704	6.8
87.05585	2.7
87.08064	1.0
91.05460	1.7
93.07046	0.8
95.08575	0.8
98.98463	65.6
99.04451	0.7
103.05457	3.1
104.10737	7.5
105.07031	1.0
107.04959	1.0
107.06071	1.7
110.07162	10.9
114.09174	1.7
116.10720	0.9
116.99504	2.9
120.08102	100.0
121.08443	1.2
122.07149	28.5
123.07909	1.0
123.32973	0.6
124.08711	41.0
131.04939	1.6
140.08182	1.7
141.05505	0.8
144.08040	2.8
149.05966	2.2
157.76492	0.6
159.02959	1.0
162.09160	2.5
165.07709	0.6
166.08635	51.0
167.09065	0.7
174.99316	1.0
177.11371	1.5
190.13393	1.2
207.11308	11.0
208.14488	0.8
219.05032	1.4
225.17102	37.4
235.10742	2.8
235.15550	3.1
253.11894	4.4
253.16588	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1434
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
53.03934	3.5
55.01871	11.1
55.05508	11.0
57.03442	3.9
57.07067	2.7
65.03923	2.0
67.05504	47.0
68.53735	0.6
69.03439	3.9
69.07066	11.7
69.25140	0.7
70.84901	2.2
71.04989	4.7
79.05489	20.0
81.03412	6.6
81.07056	43.8
83.04981	9.3
83.08611	5.4
85.02858	1.1
85.06551	4.9
88.38271	0.8
91.05478	37.5
93.07038	13.5
95.01295	0.7
95.04977	8.3
95.08612	9.0
97.06515	3.6
97.07063	0.8
97.10149	2.4
98.98463	100.0
99.04435	2.4
100.98918	2.0
101.06019	0.8
105.07030	28.8
107.04953	1.3
107.07865	1.6
107.08588	26.4
108.60678	0.7
109.06507	4.4
109.10154	45.7
110.10473	1.0
113.05970	1.8
116.99485	5.2
117.07024	1.6
118.67005	0.8
119.08577	3.9
121.10114	1.2
123.08096	1.3
123.11690	9.8
124.47843	1.0
125.09591	1.3
127.07524	2.4
131.08539	2.3
133.10127	55.1
134.10469	1.2
135.11659	2.1
137.09589	1.1
140.01041	1.4
143.08487	1.7
147.11673	0.8
151.11180	28.0
161.09581	3.8
169.12277	4.2
174.99213	1.2
176.98930	1.5
179.10631	1.4
197.11652	1.4
217.19652	1.0
229.06845	0.9
253.14326	81.0
257.14594	0.8
274.77487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0818
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
55.05510	0.9
56.96558	1.2
57.03437	0.5
57.07070	1.3
57.92986	0.4
60.04517	1.0
65.03936	0.5
67.05496	1.2
68.05031	0.5
69.03417	0.5
69.07040	0.6
70.06604	0.8
70.88239	0.9
70.88618	0.9
71.05000	0.7
72.08150	0.5
74.02428	1.5
79.05489	0.6
80.04994	0.8
81.03405	0.5
81.07054	1.2
82.06561	0.6
83.04948	0.6
84.08142	0.7
91.05464	1.4
92.05029	0.5
93.07022	0.9
94.06572	0.7
95.04966	1.0
95.08595	1.0
96.04472	0.9
97.02901	0.7
97.06522	0.7
98.98463	100.0
100.98892	0.8
106.06563	2.2
108.04456	0.8
109.06490	0.5
109.10172	0.8
110.06054	1.8
116.04983	0.7
116.99507	5.6
117.05817	0.5
118.06548	1.4
119.04922	1.0
119.06086	0.6
120.04417	0.8
120.08077	1.4
123.04468	0.8
124.07584	0.9
126.05523	0.6
130.82820	0.4
133.07616	1.3
134.06015	10.2
134.99690	0.6
135.05580	0.5
135.06743	0.5
136.03955	1.4
136.06206	1.3
136.07571	0.8
138.05455	0.5
140.01067	0.6
141.05423	0.9
144.04398	0.9
145.07651	0.7
146.06012	13.6
147.04410	1.1
148.03941	1.0
149.04681	1.3
149.07115	0.6
150.05492	2.4
152.07085	1.7
160.76230	0.6
161.07086	2.9
162.05501	20.6
163.06102	0.7
164.03429	6.9
166.05019	0.7
166.08774	0.6
172.03918	0.6
172.95267	0.7
173.07098	1.7
174.05536	1.0
174.07892	0.6
174.99243	1.2
176.98972	0.9
179.08356	0.8
180.06609	0.7
182.08243	0.5
189.06577	2.8
190.04959	4.9
191.08377	2.0
197.11803	1.4
203.05751	0.8
207.07663	10.4
208.06212	0.9
217.69984	0.5
218.04405	0.7
219.07787	1.9
220.08470	1.4
225.08786	0.7
235.07182	1.8
236.05576	1.5
236.07962	1.8
237.03055	0.5
253.05324	0.7
253.08252	6.7
253.13411	0.5
253.17943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
57.03437	0.3
60.16365	0.3
70.24888	1.0
77.86311	0.3
79.05476	0.6
79.79099	0.3
81.07053	3.3
94.04044	1.4
98.98460	0.3
109.05161	0.3
119.03548	2.4
136.06183	100.0
137.04593	1.9
137.06540	0.7
171.91124	0.3
234.13495	14.8
247.67506	0.3
252.14557	40.8
253.14812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
53.03936	1.7
55.05514	5.3
57.07069	0.9
57.88374	1.0
61.44617	0.9
65.03925	1.3
67.05504	32.9
69.07063	4.1
71.58118	1.0
71.58509	1.3
74.33643	0.9
79.05495	13.9
80.72758	0.8
81.07056	79.2
82.07326	1.0
83.04980	0.9
83.08597	1.2
85.06519	1.2
90.50253	0.9
91.05479	3.1
93.07048	9.9
95.04982	1.4
95.08604	51.2
97.10151	1.4
98.98464	100.0
105.07019	3.0
107.08587	6.9
109.10145	20.7
109.10831	1.6
115.62660	1.1
116.99506	5.9
117.07043	1.2
119.08562	3.5
121.10150	6.4
123.08080	1.0
123.11718	5.3
131.08577	4.1
133.10117	1.5
134.58676	0.9
135.11664	5.9
137.09662	2.0
140.01080	2.0
145.10159	4.3
159.11665	2.2
163.11153	2.7
173.13297	1.8
174.99240	2.6
177.16382	2.1
201.16364	8.1
219.17456	5.6
251.20123	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	251.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03462	1.2
55.05496	0.5
56.05023	0.6
56.96560	0.9
57.03416	0.4
57.07056	0.7
59.06111	0.4
67.05497	0.6
70.06579	0.7
71.04978	0.3
71.57249	0.5
72.08146	1.9
77.01624	0.5
79.05482	0.8
81.04536	24.6
81.07037	0.8
82.05318	0.4
84.04494	0.4
84.08133	1.3
85.06540	0.9
86.09681	0.3
91.05471	1.1
93.07050	0.7
95.04988	0.6
95.08583	0.4
97.02875	0.5
97.06520	0.6
98.32600	0.3
98.98460	100.0
101.08391	0.4
102.09177	3.4
105.07002	0.5
106.04839	0.4
107.04949	0.5
107.06070	0.5
107.08600	0.3
110.07185	1.9
110.07882	0.3
115.05417	0.4
116.34400	0.3
116.98665	0.6
116.99490	4.8
117.07031	0.4
121.02869	0.4
122.07146	14.1
123.04440	0.3
123.07931	10.4
124.03912	0.3
124.08708	6.8
124.09553	0.6
131.04883	0.5
134.99643	0.6
135.04390	0.6
136.06212	0.7
137.08308	0.3
138.09019	0.5
139.09782	0.5
140.01093	0.9
145.02808	0.5
145.06465	0.8
147.04369	0.8
147.19621	0.3
149.08199	0.3
149.09506	0.5
152.08215	0.4
160.07573	0.4
162.07736	1.1
163.03903	1.7
167.10638	0.4
174.99213	2.2
178.13460	0.5
179.07077	0.4
180.11238	0.5
188.11827	0.5
189.13213	0.6
189.63490	0.3
206.12994	1.0
207.06458	0.3
223.15503	12.3
233.08128	0.4
251.05127	0.7
251.09554	0.7
251.15045	26.8
252.07368	0.7
252.15410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01867	1.5
55.05521	1.4
56.96542	0.6
57.07084	0.9
67.05508	4.5
69.03394	1.0
69.07057	2.9
71.04994	1.7
79.05499	7.0
81.03407	0.9
81.07053	12.8
83.04979	0.9
85.06529	0.7
88.46400	0.6
91.05486	5.0
93.07043	9.2
94.27056	0.6
95.04973	3.7
95.08594	5.5
97.02898	1.6
97.06518	2.5
98.98464	100.0
99.04450	2.2
103.05446	0.8
105.07029	8.1
107.04969	3.5
107.08585	5.8
109.06516	5.2
109.10118	1.3
111.04405	1.0
111.08067	0.8
115.05480	1.0
116.99503	5.0
117.07011	2.1
119.04942	2.0
119.08561	2.0
120.08145	0.7
121.06496	3.2
121.10168	1.9
123.08105	0.8
125.05991	2.0
129.07016	1.5
130.07803	0.8
131.08571	3.3
133.06471	1.4
133.10153	1.5
135.08052	2.2
135.11684	4.1
137.05971	5.7
137.13255	0.7
139.07552	1.5
140.01083	1.4
141.06976	0.8
143.08585	1.2
144.09343	0.9
145.06497	1.4
145.10124	10.5
147.04367	0.7
147.08057	0.7
147.11678	1.2
149.09651	0.8
158.07248	1.1
159.08095	1.4
159.11693	4.3
161.06023	1.2
163.07487	0.7
163.11163	8.7
167.08601	0.7
169.10109	0.9
173.09634	5.2
174.99255	1.9
177.05467	1.5
181.12241	6.0
187.11197	6.9
191.07091	1.5
191.10675	2.1
193.08664	0.9
197.09637	1.5
205.08623	0.9
205.12282	3.4
215.10710	5.4
219.06511	0.7
227.12767	0.9
233.11708	4.0
251.09206	2.2
251.12807	1.8
251.20163	0.7
252.12328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1391
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
55.05507	0.7
55.73370	0.3
56.05067	0.3
56.96563	0.5
57.03436	0.3
57.07077	0.5
58.06589	0.8
63.98465	0.3
67.05515	0.7
67.73032	0.3
69.03420	0.5
69.07063	0.4
70.06595	1.3
70.38388	0.9
72.08159	21.3
76.62377	0.2
77.01608	0.3
79.05492	1.3
81.03417	0.3
81.07063	0.9
82.16820	0.2
83.05008	0.4
83.99077	0.3
84.04510	0.6
84.08135	1.3
85.02905	0.4
86.09709	1.1
88.03999	0.4
89.03907	2.4
89.10795	11.1
91.05482	0.9
93.07049	0.7
95.04974	0.6
95.08623	0.3
98.06053	0.7
98.98469	100.0
100.07588	0.4
105.03417	0.4
105.07037	1.0
107.04950	2.1
107.08614	0.6
109.10174	0.6
110.07164	0.4
114.09183	0.3
115.05437	0.5
115.08685	0.6
116.98669	0.7
116.99493	6.2
117.03381	3.7
117.07047	0.5
119.05016	0.3
119.08590	0.5
121.02879	0.3
123.04467	0.3
123.08052	0.4
127.03902	0.4
129.07021	0.3
129.10284	0.4
131.08525	0.3
133.06418	0.3
134.99779	0.4
135.04430	9.2
135.08087	0.3
136.06186	6.3
136.07677	0.3
137.04578	0.3
137.06638	0.7
140.01025	1.3
145.02843	5.9
145.03987	0.4
145.06520	0.5
146.05923	0.4
147.04398	0.7
147.08067	0.4
152.04689	0.3
161.06000	0.6
162.03214	0.3
163.03911	36.4
173.06009	0.6
174.99213	2.1
175.86502	0.3
177.05429	0.8
189.05515	0.4
191.07080	0.7
234.11290	4.6
251.10571	0.4
251.13881	8.1
251.16371	0.5
251.20468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01855	0.9
55.05504	2.4
56.96561	0.6
57.03426	0.8
57.07059	0.6
65.03932	0.5
67.05496	4.2
69.03415	1.2
69.07054	2.2
71.04983	1.9
71.58777	0.5
79.05488	8.5
81.03417	1.0
81.07047	14.3
83.04966	1.1
83.08606	0.8
84.08117	0.5
85.02917	0.9
85.06535	1.1
91.05474	4.9
93.07042	12.9
95.04966	4.1
95.08598	5.8
97.02880	1.3
97.06530	2.8
97.38697	0.4
98.98460	100.0
99.04427	3.1
105.07019	7.6
107.04947	4.6
107.08588	7.2
109.06521	6.7
109.10149	1.8
111.04442	0.6
115.05465	1.0
116.99488	6.4
117.03397	0.5
117.07031	3.4
119.04945	1.6
119.08533	2.6
120.04481	0.5
121.06501	4.7
121.10153	2.7
125.05981	2.7
128.06216	0.9
129.07040	1.1
130.07785	1.2
131.04921	0.5
131.08553	3.9
133.06493	1.9
133.10139	1.1
135.08063	1.6
135.11681	6.0
137.05949	7.1
139.07541	1.7
140.01060	1.1
141.06998	1.2
142.07841	0.5
143.08591	1.5
144.09352	1.3
145.02785	0.9
145.06464	2.3
145.10115	10.7
147.08055	0.9
147.11722	1.2
149.05951	0.5
149.13220	0.8
154.07797	0.6
154.42529	0.5
157.06418	0.6
158.07295	1.0
159.08049	1.1
159.11676	5.6
161.05962	1.3
163.07547	1.0
163.11179	12.3
169.10129	1.8
171.11673	0.6
173.09595	5.1
173.13231	0.5
174.99263	2.0
177.05473	1.2
177.12756	0.7
181.12222	6.4
182.07397	0.6
187.11163	7.3
191.07005	1.3
191.08620	0.8
191.10693	2.4
193.08585	1.2
197.09615	1.3
205.12206	4.5
211.19923	0.6
215.10645	6.2
219.06375	0.9
227.12831	1.1
233.11713	5.0
233.15382	0.8
251.10654	1.4
251.12819	2.2
251.16371	1.0
251.20332	0.8
252.12354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03930	4.3
55.05508	12.4
59.04995	3.4
64.78065	1.3
65.03928	2.0
66.20741	1.2
67.05183	2.3
67.05507	38.4
69.07068	13.7
69.35732	3.1
69.36140	13.4
70.80848	1.3
71.04985	1.6
73.06538	4.5
77.03938	1.5
79.05492	100.0
81.07058	39.4
83.04979	2.3
83.08630	6.6
85.06531	5.7
89.67327	1.5
91.04905	2.1
91.05480	44.4
93.07041	98.9
95.04964	7.9
95.08605	31.7
97.06567	2.1
99.08092	3.9
101.05974	2.5
105.07029	29.6
107.08597	75.0
109.06513	4.4
109.10139	6.4
115.07555	2.3
117.07027	8.0
119.08578	41.3
121.06541	2.6
121.10140	92.4
122.10471	3.1
123.08067	3.5
129.06998	4.0
131.08580	13.0
133.10129	47.8
135.08095	7.3
135.11684	22.3
137.09633	3.1
142.07771	1.6
143.08591	7.7
145.10129	5.5
147.11696	5.9
147.67958	1.5
149.09645	2.8
151.11194	3.1
157.10106	8.8
159.11792	1.6
161.09593	3.8
161.13271	2.2
167.10686	1.6
171.11682	6.7
173.13272	9.5
175.11229	4.6
175.14827	31.6
189.12767	3.8
189.16377	12.1
193.12215	2.1
199.14827	29.6
217.15923	22.7
249.18510	50.3
250.18661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.7
58.95771	0.3
67.05500	0.6
69.03441	0.5
69.07064	6.1
69.96908	1.5
70.06596	0.6
72.08153	1.4
73.06563	1.0
79.05490	1.3
79.82030	0.3
81.03410	0.5
81.07096	0.4
84.08136	0.5
85.02912	0.6
88.05109	0.5
91.05486	0.7
94.04073	0.7
97.02886	0.5
97.06519	2.6
98.98464	39.1
103.05492	0.3
107.04951	0.3
113.31623	0.3
114.69083	0.4
116.98698	0.5
116.99496	2.1
119.03529	1.7
121.02870	0.3
131.04932	0.5
136.06180	100.0
137.04573	1.7
137.05861	0.5
140.01096	0.6
141.93765	0.3
147.04411	0.4
163.03902	0.8
174.99248	0.9
191.03508	0.4
191.07195	0.3
204.07478	0.4
250.12981	59.6
251.13347	1.0
269.31503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.05505	5.8
56.96554	2.2
57.07066	0.7
67.05524	1.0
69.03423	1.4
69.07059	1.7
69.76903	3.5
69.77311	1.5
70.06594	11.5
72.08153	66.1
73.08474	0.8
77.03934	12.0
79.01862	0.9
79.05487	2.8
81.07065	2.1
84.04510	1.5
84.08156	1.1
86.09700	2.0
88.03982	0.9
89.10783	1.8
91.05479	2.4
93.07027	1.1
95.04968	3.2
95.08611	1.0
97.02885	1.8
98.06060	3.9
98.97581	2.5
99.09234	1.4
105.00128	1.6
105.03387	25.4
105.07015	2.1
106.06559	2.2
107.04957	4.2
110.07139	1.8
115.05435	1.8
115.06203	0.8
115.08680	1.2
116.98660	0.8
117.03374	2.6
118.03696	1.6
119.08596	1.1
120.08118	1.0
121.06538	0.8
123.04433	7.3
127.08636	5.5
128.06171	1.5
129.06926	0.9
131.08545	1.8
132.04395	1.0
133.02846	100.0
134.03702	4.6
134.06015	24.3
135.04425	3.4
136.06186	15.8
137.06076	1.0
143.04910	1.6
145.02824	6.0
145.06479	1.4
146.03181	8.8
147.04340	1.8
150.05423	4.5
150.07751	6.8
151.03934	0.9
151.08138	8.7
157.06479	0.8
158.99741	1.0
159.08006	2.2
161.02380	2.9
161.05991	2.8
161.09641	1.1
162.03183	1.4
162.05464	7.4
163.03876	2.3
165.25031	0.8
171.04364	1.2
175.07477	2.2
177.00839	1.0
177.05466	8.0
178.06061	15.1
179.03316	1.0
186.09206	1.2
189.05341	0.8
190.04990	2.6
191.07088	0.8
202.47865	0.9
203.07063	2.2
204.10190	92.5
205.10504	1.8
221.10648	1.5
221.12833	32.8
232.09674	20.6
233.10358	1.3
249.07613	0.9
249.09175	1.3
249.12671	26.3
249.15439	11.7
249.19551	1.0
250.13014	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	249.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05509	8.1
56.05030	1.5
56.96556	2.5
63.30395	1.0
65.03936	1.3
67.05497	2.2
68.05036	1.4
69.03405	3.1
69.07052	1.1
70.06585	10.1
71.57789	1.4
72.08154	100.0
73.08462	1.2
77.03917	1.2
79.05480	2.9
80.05003	1.2
81.03377	1.3
81.07043	2.0
82.06562	1.1
84.04485	1.6
84.08131	2.0
85.02911	1.6
86.00668	1.1
86.09682	4.6
89.03919	1.3
91.05474	4.8
93.07048	2.0
94.06557	1.1
95.04984	1.5
97.02896	2.9
97.06556	1.1
98.06033	1.9
100.07613	7.7
103.05466	1.7
105.00118	2.1
105.03386	3.0
105.07034	3.0
106.06522	1.3
107.04936	4.4
110.07153	3.5
111.04403	1.5
115.05419	1.2
116.98607	1.6
117.03352	2.7
117.06983	1.6
118.03735	2.6
119.04929	1.4
119.08593	1.6
120.08083	3.4
122.06039	3.3
123.04421	1.8
127.03851	1.1
127.08690	1.4
131.04869	1.7
132.04422	3.0
133.02841	6.6
133.06485	1.9
134.03615	1.1
134.06023	12.1
134.99652	2.0
135.04434	2.0
136.06177	19.3
136.07274	1.6
136.07607	1.3
137.05971	1.5
140.07063	2.4
143.04872	1.4
145.02814	6.0
146.03175	10.4
146.06052	1.1
147.04385	6.1
147.08066	1.3
149.06036	1.9
150.05473	3.9
151.03911	1.8
151.05855	1.2
160.03911	2.8
161.06000	3.1
161.09570	2.1
162.05507	11.6
163.03903	1.6
175.07520	1.0
176.10611	1.6
177.00786	1.2
177.05455	9.8
178.04880	80.7
179.05330	1.2
188.07069	1.6
189.05455	1.9
190.04979	22.4
191.05528	1.2
203.06996	1.8
204.10156	6.5
221.12837	1.8
231.11180	1.7
232.09677	76.3
233.10101	2.8
249.07622	3.5
249.12488	35.9
249.19753	5.0
250.12996	13.0
250.22609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01854	0.5
55.05460	0.5
57.03423	1.0
58.59784	0.5
59.89436	0.5
59.99032	0.5
67.05492	1.8
69.03424	1.7
69.50326	1.5
69.50744	2.9
70.11542	0.5
70.15923	0.4
79.05491	1.5
81.07025	1.3
91.05480	10.9
93.07034	1.2
95.04971	1.0
95.08586	0.7
95.30670	0.5
97.02853	0.8
98.97598	0.7
103.05471	1.2
105.07032	3.5
107.04970	3.3
115.05457	8.0
116.06259	4.2
117.07041	4.5
119.04870	0.8
119.08607	1.1
121.06515	0.8
121.10096	0.8
128.06227	13.9
129.07005	25.7
130.07710	1.5
131.04939	2.1
131.08572	21.0
132.05702	1.5
133.06500	4.8
133.10121	2.3
135.04430	0.9
141.05971	1.0
141.06996	12.8
142.07796	4.4
143.04930	1.2
143.08566	4.7
144.05704	13.4
145.06485	8.7
146.03711	0.8
146.07251	4.4
147.04402	1.7
147.08067	1.1
147.11584	0.6
152.06206	1.3
153.07011	2.8
155.06038	2.2
156.05699	3.0
157.06491	11.7
158.07315	3.2
159.04433	1.3
159.08060	36.9
160.05170	1.7
160.08583	0.6
161.05984	5.0
161.09613	8.0
167.04861	0.7
167.07053	1.2
169.06456	1.9
169.07729	2.7
170.07278	10.6
171.04405	2.1
171.08044	8.1
172.05220	4.1
173.06000	5.7
174.06731	3.4
175.07544	4.0
177.05414	0.6
178.06242	1.0
181.06456	0.7
184.05157	0.8
185.05991	0.8
187.07553	22.3
188.04820	0.9
188.08269	0.8
189.05504	6.2
189.09117	10.4
190.06242	1.5
191.07033	2.1
193.08505	1.1
198.06790	2.3
199.07527	2.9
201.05443	1.4
203.07034	7.4
204.07825	15.8
205.08591	2.1
206.09415	1.8
216.07814	4.3
217.08566	1.5
218.09358	1.4
219.10127	2.6
221.08218	1.1
221.11790	3.8
231.10138	8.1
234.08875	1.5
249.11227	100.0
250.11609	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
57.03436	1.1
59.38887	0.9
69.03418	1.0
69.53821	2.0
69.54236	4.9
91.05473	9.7
98.20755	1.7
98.21351	1.9
100.84496	0.9
102.65194	1.0
103.05431	1.3
105.07010	3.1
107.04929	2.9
111.91730	1.0
115.05446	6.5
116.06255	5.5
117.06995	3.7
121.06506	1.3
127.05500	0.8
128.06223	13.3
129.07007	25.2
130.07840	0.9
131.04903	2.3
131.08566	20.4
132.05679	1.5
133.06491	2.9
133.10075	1.3
141.07004	11.8
142.07761	6.0
143.04919	2.0
143.08559	3.5
144.05710	13.1
145.06474	9.3
146.07259	3.8
147.04376	1.4
147.07976	1.3
152.06174	1.5
153.06989	3.1
155.06033	1.5
156.05666	2.7
157.06488	12.7
158.07280	3.0
159.04510	0.8
159.08046	36.1
160.05206	1.5
161.05972	5.1
161.09590	8.9
167.07018	1.1
169.06401	1.7
169.07637	2.6
170.07253	11.3
171.04355	1.6
171.08058	7.5
172.05154	4.0
173.05989	5.5
174.06757	3.8
175.07539	3.0
178.06288	1.0
187.07532	22.5
188.08365	1.8
189.05521	4.2
189.09082	9.8
190.06241	1.5
191.07021	1.7
193.08659	1.4
198.06735	2.7
199.07536	4.2
201.05475	2.1
203.07025	7.5
204.07805	14.8
205.08559	2.3
206.09296	1.6
208.19331	1.1
216.07784	4.1
217.08531	1.2
218.09457	1.6
219.10228	1.7
221.08072	1.8
221.11703	3.3
231.10194	8.5
234.08879	1.6
249.11212	100.0
250.11629	2.7
269.65121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
54.48564	0.6
55.01868	0.8
57.03431	1.0
67.05499	1.1
69.03409	1.5
69.24065	1.1
69.24461	7.3
70.41138	0.6
79.05497	1.6
81.07044	1.0
85.02905	1.0
91.05485	10.5
93.07043	1.2
95.04947	1.2
95.08614	0.7
97.02894	1.2
103.05474	1.4
105.07021	3.8
107.04946	2.4
115.05438	6.9
116.06239	5.4
117.04305	0.6
117.07056	4.3
119.04951	0.8
119.08588	1.0
120.08106	0.9
121.06497	1.1
128.06227	10.7
129.07010	25.1
130.07806	1.3
131.04892	3.2
131.08577	24.4
132.05724	2.1
133.06467	3.6
133.10146	1.9
141.06985	13.4
142.07808	4.8
143.04910	1.1
143.08551	4.0
144.05711	12.0
145.06487	7.5
146.07294	3.8
147.04417	2.1
147.08025	1.5
152.06183	1.6
153.06956	2.1
155.06058	1.5
156.05672	2.3
156.98999	0.6
157.06496	13.6
158.07259	3.9
159.04446	1.0
159.08063	35.4
160.05220	2.5
160.08772	1.0
161.06009	4.7
161.09616	8.3
167.07076	1.2
169.06470	1.5
169.07658	2.8
169.24478	0.7
170.07278	10.4
171.04385	1.5
171.08057	8.2
172.05183	4.1
173.05957	5.9
174.06816	3.2
175.07539	4.3
178.06198	0.9
184.05205	1.1
185.06042	0.8
185.41406	0.7
186.06758	0.7
187.07552	23.1
188.08157	1.4
189.05544	5.6
189.09103	11.2
190.06252	1.7
191.06998	2.4
193.08557	0.8
198.06749	2.8
199.07539	2.6
201.05434	1.8
203.07088	7.6
204.07823	16.8
205.08592	2.7
206.09363	1.4
216.07866	5.7
217.08661	1.8
218.09401	2.1
219.10109	2.6
221.07986	0.7
221.11714	4.6
231.10173	7.9
234.08862	1.1
249.11226	100.0
250.11487	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01859	0.8
55.05504	0.8
57.03450	0.9
62.84502	0.5
64.70196	0.5
64.91424	0.5
65.03954	0.6
67.05496	1.7
69.03406	2.0
69.07061	0.7
70.87029	0.6
70.87388	1.7
70.94083	0.5
73.47919	0.6
79.05469	1.1
81.03421	0.9
81.07056	1.2
83.79978	0.6
91.05483	10.4
93.07031	1.8
95.04961	1.4
95.08602	1.5
97.02871	1.0
98.21191	0.8
103.05467	2.2
105.07015	6.7
107.04934	2.6
107.08570	0.6
109.10171	0.7
115.05452	7.0
116.06219	5.2
117.07044	4.5
119.08578	1.6
121.06541	1.0
121.10139	1.1
127.05436	1.2
128.06218	11.9
129.07005	28.3
130.07794	1.3
131.04942	3.2
131.07588	1.2
131.08563	21.3
131.09531	1.2
132.05714	1.9
133.06497	5.0
133.10126	2.6
141.06993	12.2
142.07802	5.6
143.04942	0.8
143.08577	4.4
144.04572	0.7
144.05704	12.4
145.06511	8.8
146.07246	3.7
147.04413	1.7
147.08017	1.3
152.06258	0.8
153.06998	3.0
155.06053	1.4
156.05714	3.3
157.06485	12.9
157.10158	0.6
158.07281	3.1
159.08049	35.7
160.05194	2.0
160.08772	0.8
161.05959	4.2
161.09613	8.8
167.07031	1.5
169.06436	1.9
169.07680	2.7
170.07262	11.1
171.04422	1.3
171.08034	6.8
171.09393	0.9
172.05180	4.1
173.05997	4.8
174.06761	3.1
175.07547	4.8
177.05463	0.8
178.06268	1.8
184.05162	0.9
185.05988	1.1
186.06831	1.0
187.07552	22.5
188.08321	1.4
189.05496	5.9
189.06953	0.7
189.07283	0.8
189.09105	11.8
190.06235	1.2
191.07016	1.7
193.08630	0.8
193.14418	0.6
198.06708	2.2
199.07530	4.1
201.05510	2.3
203.07030	8.6
204.07825	16.6
204.81380	0.7
205.08617	2.7
206.07454	0.6
206.09396	1.9
216.07838	4.4
217.08557	1.1
218.09387	1.8
219.10181	3.1
221.08211	1.0
221.11740	4.6
231.10150	8.6
234.06702	0.8
234.08879	0.9
249.11224	100.0
249.18503	1.5
250.11697	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.2
67.05489	0.5
69.88098	1.4
70.06580	0.7
70.81174	0.3
71.43602	0.2
79.05479	0.4
81.07034	0.6
82.07403	0.4
83.08711	0.2
91.05499	1.2
93.07018	0.3
94.06564	0.6
95.04922	0.3
95.08619	0.3
96.08150	0.3
98.20972	0.5
98.21552	0.2
98.97546	0.5
105.07041	0.4
107.08537	0.5
109.10145	0.4
115.05432	0.5
116.98628	0.5
117.06991	0.4
118.06547	7.6
119.08569	0.4
120.04453	0.4
120.08084	0.3
124.07635	0.3
128.06187	0.5
129.07013	1.2
131.00182	0.3
131.08569	0.9
132.08078	1.8
133.08885	0.5
134.09665	0.5
141.07007	0.5
143.08536	0.3
144.05658	0.6
144.08054	0.7
145.08902	0.3
146.09653	2.0
150.05516	1.0
157.06497	0.5
158.09697	0.3
159.08076	0.9
160.11247	1.0
161.05954	0.3
161.09613	0.3
170.07333	0.3
172.11148	0.3
174.12790	1.3
176.14352	14.8
177.14835	0.3
187.07484	0.5
189.09088	0.4
190.08633	18.2
191.08980	0.4
202.15895	3.1
203.16660	1.3
204.07884	0.8
204.10213	3.5
205.11037	0.7
218.11761	5.3
218.13857	0.3
220.13495	0.3
232.13364	0.3
248.16466	100.0
249.11198	3.5
249.16748	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1643
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
53.17127	0.3
54.73559	0.3
55.05486	0.4
56.96552	0.4
58.88374	0.3
67.05489	0.9
68.44637	0.3
71.58308	0.4
79.05477	0.8
81.07050	1.1
82.07358	0.3
83.04961	0.3
83.08597	0.4
87.74950	0.3
91.05477	1.3
93.07039	1.2
93.42286	0.3
94.06577	0.6
95.04938	0.3
95.08610	0.3
98.97568	0.7
105.07052	0.9
106.06560	0.3
107.08598	0.4
110.02389	0.5
115.05431	0.5
116.06251	0.3
116.98593	0.6
117.05766	0.3
118.06538	6.8
119.08597	0.9
120.04462	0.5
122.06009	0.6
128.06223	0.5
129.06987	1.2
131.07568	0.3
131.08521	1.4
132.08078	3.3
133.08920	0.7
133.10127	0.6
134.09619	0.8
134.99707	0.6
141.07008	0.5
142.07748	0.4
143.08585	0.4
144.05672	0.5
144.08067	0.8
145.06474	0.5
145.08917	0.4
145.10100	0.4
146.09608	2.1
147.08018	0.4
147.10522	0.4
147.11691	0.4
150.05495	2.7
157.06435	0.3
159.08054	1.3
159.10255	0.3
160.11230	0.7
161.06018	0.3
161.09641	0.4
170.04536	0.3
170.07201	0.6
174.12756	1.1
176.14336	14.1
187.07567	0.8
190.08621	14.6
191.08960	0.4
191.14305	0.3
202.15877	2.7
203.16721	1.0
204.10176	6.5
205.10963	1.6
206.11676	0.4
218.11740	6.5
230.13921	0.3
232.13451	0.3
248.03151	0.9
248.16447	100.0
249.07503	0.4
249.11285	3.7
249.16878	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1505
Annotation	Peramine
Peak:m/z	Relative Intensity
55.05501	0.9
61.22513	0.5
63.02217	0.5
67.05494	0.5
68.12129	0.5
69.88480	2.7
69.98672	0.5
71.04990	58.8
79.05485	2.6
81.03418	0.6
81.07057	8.2
91.05498	1.0
94.06562	0.7
95.04958	0.5
96.44162	0.5
105.07012	0.5
113.09636	12.7
119.03592	1.5
122.06007	0.6
131.08611	1.1
134.05872	0.5
135.06625	0.7
136.06181	11.7
137.04582	0.6
144.05653	0.6
146.04625	6.7
148.06165	1.8
150.05484	1.2
159.08032	1.0
160.06235	0.7
162.07715	1.1
174.07733	2.6
178.07307	1.1
186.07732	1.3
188.03812	0.6
189.11165	0.7
199.09798	1.7
204.07811	0.7
216.12437	100.0
217.12675	2.6
248.15054	92.4
249.11246	3.4
249.15149	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	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
52.03158	2.0
53.03937	5.8
53.12328	2.0
55.01862	7.2
55.05510	20.6
57.03442	3.3
64.45750	2.3
67.05180	2.5
67.05505	42.8
69.07074	30.0
71.04982	2.6
71.58099	4.1
79.05495	37.4
81.03400	8.4
81.07060	59.1
83.04966	8.8
83.08623	5.5
91.05484	22.2
93.06487	2.3
93.07046	35.5
95.04958	13.8
95.08601	24.2
95.86794	2.1
97.06522	8.1
97.10168	3.4
99.08093	2.9
105.04507	2.2
105.07032	24.6
107.04954	7.7
107.08597	23.9
109.06509	11.5
109.10136	14.5
111.03642	2.1
111.08060	2.5
117.07019	8.5
119.08574	13.4
121.06483	5.5
121.10135	20.4
122.07298	2.1
123.08080	7.2
123.11691	8.7
125.09588	7.2
131.08571	11.8
133.10118	10.5
135.08046	6.5
135.11671	14.2
137.09645	10.2
145.10098	8.7
147.11664	7.4
149.09605	10.4
149.13257	12.0
151.11166	18.3
159.11647	8.3
161.13252	4.2
163.11198	5.1
163.14793	2.7
165.12697	2.3
173.13275	5.3
175.14740	3.5
177.12700	6.7
187.14877	3.9
189.16457	2.2
191.14305	2.5
229.19559	10.8
247.16896	12.5
247.20578	100.0
248.17218	2.0
248.20808	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	247.2055
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.43368	0.7
53.03935	3.5
55.01870	2.0
55.05507	13.1
56.96557	1.2
57.03451	3.8
57.07073	3.0
57.72968	0.6
64.40832	0.6
65.03939	2.6
67.05499	36.7
68.11642	0.9
69.03425	2.4
69.07063	9.8
71.04978	2.3
71.08627	1.2
75.07278	0.7
79.05489	36.0
81.03424	2.8
81.07051	100.0
82.07336	0.9
83.04992	3.0
83.08610	3.6
85.06540	1.9
91.05474	13.5
93.07038	25.9
93.07637	1.3
95.04980	5.8
95.08599	21.8
97.06528	1.7
97.10159	1.5
97.25964	0.7
99.08093	1.9
101.14301	0.7
103.37653	0.8
105.07025	12.0
107.04947	2.1
107.08582	16.2
109.06516	34.5
109.10149	7.0
111.08073	1.9
117.07009	4.1
119.08573	10.2
120.04459	0.8
121.06506	2.9
121.10130	18.1
123.08055	6.2
123.11703	7.8
125.09599	1.1
129.07076	0.9
131.08577	7.0
133.10118	8.0
135.08041	4.9
135.11705	7.5
137.09604	4.6
137.13248	0.9
145.10126	8.4
147.11674	6.3
149.09625	2.4
149.13252	6.1
151.11197	3.1
157.10229	0.7
159.11682	6.9
161.09639	1.2
161.13284	3.2
163.11215	2.5
163.14822	2.9
165.12880	0.9
173.13257	5.1
175.14812	2.8
177.12811	1.5
187.14821	3.0
189.16330	1.2
191.14287	2.6
201.16370	1.1
203.17941	1.4
219.21123	1.1
229.19510	9.6
247.16899	1.3
247.20555	36.6
248.20650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2055
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03946	4.0
55.01867	2.0
55.05508	13.7
57.03443	4.2
57.07074	3.2
65.03940	1.3
67.05502	38.7
69.03424	1.4
69.07064	7.9
71.04986	2.2
71.08625	0.7
79.05490	34.8
80.36268	0.7
81.03417	3.1
81.07052	100.0
81.85073	0.7
82.07365	1.2
83.04969	2.4
83.08623	2.8
85.06548	1.5
91.05473	13.3
93.07040	22.2
95.04972	6.5
95.08596	18.0
97.06536	3.5
97.10165	1.9
98.98452	7.6
99.08091	1.8
105.07031	9.7
107.04944	3.1
107.08591	16.9
109.06510	30.5
109.10160	7.8
111.08101	1.6
117.07014	4.1
119.08582	10.4
121.06496	3.7
121.10141	16.4
123.08088	5.1
123.11697	7.6
125.09599	1.0
129.06982	0.9
131.08553	8.4
133.10135	7.7
135.08084	3.8
135.11694	8.1
137.09605	4.1
137.13228	1.3
139.11143	0.7
144.09370	0.8
145.10115	6.7
147.11673	4.5
149.09622	2.5
149.13275	6.4
151.11212	1.9
159.11679	5.8
161.09616	0.9
161.13258	3.2
163.11206	2.4
163.14801	2.6
165.12755	1.0
173.02084	1.5
173.13248	5.4
175.14824	2.3
177.12762	1.8
179.14267	0.7
185.13208	0.7
187.14848	2.5
189.16406	1.1
191.14304	2.2
201.16380	0.9
203.17946	1.2
205.19618	0.9
229.19487	9.1
229.63148	1.1
230.19977	0.9
247.13171	0.9
247.16890	1.4
247.20564	35.4
247.24480	1.5
248.20937	1.0
255.32480	0.8
255.93805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1288
Annotation	alpha-Asp-Ile
Peak:m/z	Relative Intensity
55.01878	1.0
56.96560	2.6
67.87444	0.9
69.07067	9.8
70.02946	3.5
70.06590	1.9
70.82203	2.0
70.82534	1.1
73.02895	2.2
74.02460	0.9
84.08135	2.2
85.04025	4.4
86.09702	100.0
87.10081	1.0
88.03988	59.9
93.44868	0.9
96.08129	1.4
97.06518	1.1
98.02390	5.4
98.97583	5.8
100.03980	1.9
110.02406	13.0
111.43397	0.9
113.10750	13.6
116.07089	2.2
116.98638	4.2
120.12588	0.9
124.03957	2.3
130.06505	2.3
132.04401	1.0
132.10199	48.3
134.99667	1.9
138.09119	3.0
141.10222	24.6
142.08723	1.1
150.05528	1.5
155.11752	1.4
156.10168	3.8
158.05975	5.3
166.08630	17.6
169.09705	1.0
170.11777	1.4
171.12091	3.7
177.00717	2.0
183.11308	6.7
184.09669	3.6
187.10768	12.5
193.00003	1.0
195.01787	1.0
201.10268	6.0
201.12314	37.0
211.10796	1.3
212.09166	16.6
229.11809	3.4
230.10251	1.2
247.10808	2.0
247.12952	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	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37672	1.3
62.11756	1.2
69.07057	1.2
69.47710	11.0
72.08147	7.2
86.09696	10.3
88.03965	5.0
88.63978	1.4
94.92078	1.2
113.02185	1.1
119.01891	2.2
125.86650	1.2
132.01004	1.1
132.10175	6.0
141.10245	1.6
148.05974	1.4
167.03140	1.9
187.02234	1.3
187.10802	1.7
201.12279	5.7
212.09068	1.7
229.00912	2.3
229.03174	37.8
247.04240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1077
Annotation	N-(3-Indolylacetyl)-L-alanine
Peak:m/z	Relative Intensity
53.03931	0.8
54.42840	0.6
55.05506	0.7
56.05035	5.4
56.13142	0.6
56.96563	1.5
57.03416	0.7
58.06578	1.6
61.29789	0.7
67.05485	1.9
68.05027	5.1
69.03423	1.1
69.07075	0.8
70.06592	7.6
71.57439	1.0
72.08155	5.1
74.02404	1.4
79.05463	0.9
81.07034	1.3
84.04491	2.1
84.08133	1.4
86.09704	2.9
88.03965	2.9
88.07611	0.9
91.05451	1.6
93.07037	0.9
94.06567	1.1
95.04980	0.8
97.02918	1.3
98.97542	0.6
102.05547	12.0
103.05428	0.8
105.00075	0.9
105.03342	0.8
105.07025	0.7
106.06518	0.9
107.04925	1.4
110.07146	0.7
114.05502	4.7
115.05453	1.6
118.06528	0.6
119.01913	0.8
119.04974	1.0
120.08089	2.1
122.06026	0.7
129.00945	0.7
130.06525	39.8
132.04453	10.4
132.08101	4.0
132.10199	1.1
136.06285	0.7
142.06523	1.5
144.08078	0.7
145.06451	0.8
146.06010	7.6
146.09651	0.7
147.04395	1.4
148.07599	0.9
148.09624	0.9
148.51527	0.7
150.05492	4.1
156.08018	0.7
157.07574	1.2
158.06010	100.0
159.08073	1.2
160.07568	13.5
163.07645	0.8
173.05939	1.0
173.10777	0.7
174.09137	1.0
175.08650	5.0
176.07076	2.9
177.05444	1.7
184.07555	2.2
186.05490	2.8
187.07503	0.8
191.72658	0.6
201.10239	85.7
202.08672	1.1
202.10558	0.7
203.11839	0.8
204.06526	1.2
247.06030	2.4
247.10800	58.3
248.03009	0.8
248.11165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1487
Annotation	(+)-Sattazolin
Peak:m/z	Relative Intensity
55.05500	0.5
62.05819	0.2
62.06085	2.3
67.05490	0.3
69.07034	0.5
70.03789	1.1
79.05485	0.3
81.07006	0.3
83.08610	0.3
91.05460	0.5
93.06995	0.3
98.21088	0.6
107.08578	0.3
115.05453	0.6
117.07025	0.4
118.06537	0.2
120.08102	0.2
129.06958	0.7
130.06555	0.4
131.08554	0.4
132.08081	0.4
142.06508	1.6
143.03580	0.4
143.07310	0.3
144.08073	1.1
156.08055	0.7
157.08835	0.4
158.09648	1.0
170.09630	0.5
171.10374	0.2
172.11145	0.4
174.12778	0.6
176.07050	0.3
187.06239	0.3
188.07056	36.1
189.07533	1.0
190.08585	0.4
200.07080	0.5
200.14365	0.3
201.07748	0.4
202.08612	13.7
202.15820	0.4
203.09338	2.4
204.10280	1.1
214.08800	0.3
216.10179	10.2
217.08569	0.4
217.10854	0.3
230.11678	1.1
246.14885	100.0
247.15225	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.05496	0.3
56.96564	0.6
57.03430	0.5
58.99582	0.4
69.07050	0.8
70.06575	0.5
71.58473	0.4
72.08132	0.4
79.05492	0.5
80.05006	1.2
81.07038	0.5
83.65613	0.3
84.04554	0.3
86.00642	0.3
86.06079	0.4
86.09699	100.0
87.10046	0.6
91.05460	0.5
93.07043	0.6
95.08591	0.3
98.97574	0.3
101.53208	0.3
105.07024	0.5
114.03757	1.0
116.50922	0.3
116.98634	0.4
119.08624	0.7
129.07014	0.4
131.08553	0.3
132.10182	3.1
142.03212	5.4
143.08574	0.4
144.63873	0.3
145.06520	0.3
147.08087	0.4
150.99136	0.3
170.02734	0.8
171.14828	0.3
193.00197	0.5
199.05391	0.5
199.11162	0.5
199.18059	1.2
245.04512	0.9
245.11649	0.7
245.15613	0.6
245.18707	2.3
245.22359	0.4
246.07616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
55.05510	8.9
56.05030	4.1
56.96555	4.5
57.03439	4.1
61.34486	1.8
67.05512	2.4
67.85378	1.8
68.05028	10.2
69.03432	3.8
69.07072	32.4
70.02945	10.9
70.06581	13.3
72.04523	2.8
72.08154	25.5
73.02911	6.6
73.06554	2.5
74.02451	3.1
80.04962	1.6
81.03412	2.0
81.07059	6.8
82.02949	2.7
82.07402	2.0
84.04509	51.3
84.08141	15.9
85.02892	11.9
85.04021	15.8
85.04838	2.7
86.06065	3.1
86.09707	61.0
87.05592	45.7
88.03984	11.8
88.07597	2.9
90.05579	1.7
91.05473	3.5
96.04486	7.5
96.08134	3.5
97.02892	2.8
97.06518	2.2
97.08422	1.9
98.02405	15.2
98.06021	2.2
98.97546	2.6
102.05532	10.5
103.05429	3.3
110.01677	3.2
110.02406	48.0
110.09685	27.4
113.10770	31.1
114.05544	25.7
116.07072	3.0
116.98627	2.2
117.88880	1.7
120.08114	11.5
124.03951	5.9
124.07623	3.2
125.07934	4.0
127.08625	1.9
128.03416	7.1
130.05009	26.3
130.08603	2.2
131.05348	4.4
132.10204	20.6
138.05533	2.1
138.09137	20.9
141.10220	64.5
142.04997	23.2
143.11809	8.4
154.12283	2.8
155.04796	1.9
155.11827	5.4
156.10188	24.7
158.04575	1.7
166.08633	52.7
169.09772	3.7
170.11809	4.9
174.04012	15.5
182.11798	6.8
183.11342	7.2
184.09712	19.5
185.10072	2.6
187.10776	41.1
197.01035	2.0
200.14192	15.0
201.12383	9.7
202.10753	100.0
202.12610	6.1
203.11046	1.8
211.10783	5.7
212.09171	53.6
229.11827	17.2
246.13164	3.5
246.18394	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76164	1.3
53.03948	3.3
53.74163	1.2
55.01883	8.2
55.02101	1.9
55.05512	91.1
57.03439	30.6
57.07076	5.6
58.06596	7.0
58.07431	1.3
59.04990	2.3
65.03959	2.1
65.34251	1.3
67.05502	27.0
69.03435	12.6
69.07071	17.5
71.04987	1.3
71.08633	2.7
72.08154	1.3
76.07642	2.9
79.05492	24.9
81.03404	2.0
81.07056	24.5
83.05003	7.6
83.08620	46.9
85.06546	4.2
87.04463	1.9
91.05486	14.2
93.07037	11.7
95.04948	8.7
95.08615	5.5
97.02885	1.7
97.06576	1.7
97.10174	100.0
101.06017	1.4
101.09700	1.9
105.07027	10.7
107.04946	1.6
107.08597	29.9
109.06502	2.7
109.10164	4.4
111.08087	3.5
115.05482	2.3
117.07014	7.5
118.77290	1.3
119.08592	8.7
121.06494	1.7
125.09630	88.1
128.06229	3.1
129.07004	5.9
131.08585	7.1
133.06483	1.7
133.10103	5.0
135.08072	12.4
135.11676	2.1
140.13657	1.4
141.07050	1.5
141.75787	1.2
142.03258	2.5
142.07777	3.8
143.08568	5.7
143.10667	7.3
145.06517	1.4
145.10139	4.8
146.07336	1.9
147.08040	5.2
149.09685	2.9
153.09111	4.9
157.10129	7.9
158.37000	1.3
159.08055	1.9
159.11728	4.1
161.09657	1.8
171.10217	3.1
171.11597	2.4
173.13287	2.4
182.27568	1.2
185.09628	1.7
185.13289	2.8
187.14667	1.5
189.11226	60.1
189.12947	3.0
199.11201	2.9
199.14835	5.7
201.16463	2.1
211.66615	1.4
227.10651	2.1
227.12665	3.2
227.17918	2.2
227.25624	1.5
244.26518	1.8
245.04597	3.4
245.11650	5.5
245.13794	40.8
245.19044	16.9
245.26694	31.7
258.39380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
55.05495	0.4
56.05015	0.5
56.96550	0.9
57.05819	0.4
58.06586	0.3
59.05849	0.2
67.05499	0.4
69.07065	11.2
69.31946	0.3
70.31380	0.5
70.31773	0.6
72.08149	0.3
79.21652	0.2
80.05022	0.7
81.07033	0.3
84.08124	0.6
86.09702	100.0
87.10033	0.5
91.05484	1.1
91.13190	0.3
93.07059	0.3
95.08642	0.2
98.20836	0.3
98.97593	0.7
103.81696	0.3
114.03757	0.8
116.98631	0.9
119.08604	0.9
129.12996	0.3
132.10213	1.8
134.99625	0.4
142.03239	2.4
144.08070	0.7
149.01198	0.3
156.21182	0.3
171.03180	0.3
189.04358	1.0
199.18019	0.5
245.04422	1.6
245.09001	0.5
245.11676	0.4
245.18643	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	245.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76164	1.3
53.03948	3.3
53.74163	1.2
55.01883	8.2
55.02101	1.9
55.05512	91.1
57.03439	30.6
57.07076	5.6
58.06596	7.0
58.07431	1.3
59.04990	2.3
65.03959	2.1
65.34251	1.3
67.05502	27.0
69.03435	12.6
69.07071	17.5
71.04987	1.3
71.08633	2.7
72.08154	1.3
76.07642	2.9
79.05492	24.9
81.03404	2.0
81.07056	24.5
83.05003	7.6
83.08620	46.9
85.06546	4.2
87.04463	1.9
91.05486	14.2
93.07037	11.7
95.04948	8.7
95.08615	5.5
97.02885	1.7
97.06576	1.7
97.10174	100.0
101.06017	1.4
101.09700	1.9
105.07027	10.7
107.04946	1.6
107.08597	29.9
109.06502	2.7
109.10164	4.4
111.08087	3.5
115.05482	2.3
117.07014	7.5
118.77290	1.3
119.08592	8.7
121.06494	1.7
125.09630	88.1
128.06229	3.1
129.07004	5.9
131.08585	7.1
133.06483	1.7
133.10103	5.0
135.08072	12.4
135.11676	2.1
140.13657	1.4
141.07050	1.5
141.75787	1.2
142.03258	2.5
142.07777	3.8
143.08568	5.7
143.10667	7.3
145.06517	1.4
145.10139	4.8
146.07336	1.9
147.08040	5.2
149.09685	2.9
153.09111	4.9
157.10129	7.9
158.37000	1.3
159.08055	1.9
159.11728	4.1
161.09657	1.8
171.10217	3.1
171.11597	2.4
173.13287	2.4
182.27568	1.2
185.09628	1.7
185.13289	2.8
187.14667	1.5
189.11226	60.1
189.12947	3.0
199.11201	2.9
199.14835	5.7
201.16463	2.1
211.66615	1.4
227.10651	2.1
227.12665	3.2
227.17918	2.2
227.25624	1.5
244.26518	1.8
245.04597	3.4
245.11650	5.5
245.13794	40.8
245.19044	16.9
245.26694	31.7
258.39380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.9
56.05038	7.3
56.96565	90.9
57.03419	3.1
58.06585	3.0
60.04516	2.1
61.02915	1.5
68.05022	3.6
69.03410	1.9
69.07072	2.2
70.06594	13.1
70.94953	2.1
70.98132	6.6
71.95256	7.8
72.08168	7.8
72.96026	4.1
73.02910	1.1
74.02436	15.4
74.06078	2.0
74.97596	2.2
77.00931	1.3
81.03375	1.3
84.04505	100.0
84.08146	45.1
84.96021	3.1
85.02882	3.4
85.04802	1.0
85.08480	2.3
86.06065	8.5
86.09706	13.6
88.03989	2.2
88.07629	10.2
88.99177	7.3
91.05454	1.2
95.04996	1.5
96.08138	2.8
97.02864	2.7
98.06033	2.8
98.97586	28.1
101.00841	1.3
102.05523	4.4
107.00213	2.6
108.04469	1.6
112.05096	4.3
112.07619	1.2
113.03522	6.0
113.04680	1.9
113.05369	2.1
113.98650	1.7
114.10300	1.7
115.08635	1.3
116.07094	53.2
116.98623	32.2
119.01915	14.3
121.01643	1.6
124.07584	4.7
124.95473	3.0
126.05478	1.4
128.98622	2.0
129.10281	5.2
130.05002	59.1
130.08673	8.5
131.00185	1.3
131.01913	3.1
131.99713	3.1
132.06575	3.9
133.01701	2.9
133.03473	1.4
134.99660	28.5
136.07536	2.8
137.02946	3.8
140.00165	1.3
142.08633	2.5
142.96535	7.8
143.00192	1.8
143.01897	2.3
145.03442	3.6
146.99626	5.7
147.11285	2.0
149.01225	2.3
149.10796	1.7
149.97174	1.6
150.00749	3.1
150.09157	3.3
152.07114	1.5
153.00696	5.1
154.08633	4.6
155.01869	2.2
157.03418	1.9
158.01244	1.5
158.08202	1.3
158.99686	3.0
160.97585	12.3
161.01180	3.5
161.02969	7.0
162.99095	2.0
165.00710	4.7
168.01788	1.4
168.10251	2.4
170.96056	3.1
173.02916	1.5
174.99112	2.7
175.04510	1.4
177.00703	2.1
178.98560	2.9
181.09700	1.5
182.06592	2.2
182.08134	22.1
184.97523	1.2
185.02930	3.5
188.97075	28.2
190.00235	1.8
190.98656	8.3
192.11342	1.5
193.00217	9.8
197.03008	2.4
201.15976	4.7
202.98627	9.2
203.02196	1.5
203.04002	2.8
206.98134	32.6
208.99680	3.6
209.13979	1.4
220.99728	7.0
221.01569	1.3
221.05011	1.5
224.08075	1.5
224.99213	3.1
227.10341	1.6
227.15056	3.2
228.08710	6.5
230.98000	2.3
232.99626	2.5
237.00948	1.5
239.00604	1.3
245.05070	5.5
245.11269	16.8
245.15236	4.3
245.18631	4.0
246.99512	2.8
248.99110	1.7
263.09122	1.4
265.00232	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85199	2.0
55.05504	2.3
56.96552	3.6
69.03441	2.2
70.06580	7.3
70.25113	7.6
70.25493	3.9
70.98409	1.8
72.08149	4.8
72.93794	2.4
74.02434	10.0
81.07040	2.7
83.23936	1.8
84.04491	5.5
84.08142	38.7
84.25475	1.6
85.02911	1.9
85.08472	13.3
86.09687	8.2
88.03978	2.2
91.05502	2.8
94.06541	2.0
96.08140	4.2
98.97589	2.5
112.02187	2.5
114.09144	5.1
115.05459	2.2
116.07114	2.6
117.05770	19.3
129.06998	9.6
129.10252	3.0
130.05023	3.8
130.06517	54.1
131.07384	9.6
134.99591	2.2
141.05647	2.1
143.07256	13.3
144.08076	20.3
154.06509	25.8
155.05963	11.8
156.06812	3.1
156.08069	28.4
157.07616	26.3
158.06001	16.2
158.08371	8.1
159.08934	2.0
169.05211	8.2
169.07614	4.9
171.09181	35.5
181.07620	36.5
182.06017	6.7
182.08284	4.5
183.09180	16.1
185.07094	76.1
198.02252	2.7
198.10257	31.7
199.08647	2.1
200.07050	4.5
209.06987	18.5
216.14362	2.3
227.08151	100.0
244.02711	6.9
244.08408	3.0
244.10857	19.4
244.17242	2.8
244.19325	2.3
245.04607	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66236	0.4
56.05043	0.5
56.72475	0.4
56.96555	1.6
67.05518	0.5
69.04552	1.0
70.06596	4.4
71.22427	0.4
71.22749	0.6
72.08140	1.1
79.68102	0.5
81.03439	0.5
83.05206	0.4
83.06131	0.5
84.04510	7.1
84.07637	0.8
84.08144	15.7
84.73493	0.4
85.02892	1.0
85.04842	2.6
85.08459	0.8
86.06074	0.6
86.09714	4.6
87.10034	3.6
92.88547	0.4
95.02455	3.4
97.02930	0.7
101.10797	0.8
112.05088	100.0
113.05466	0.6
114.05528	0.7
115.08669	2.0
116.07088	1.7
119.01910	3.3
121.22099	0.6
126.02544	0.7
126.10028	0.4
128.07074	0.5
129.06618	0.7
129.10204	0.6
130.05016	0.6
132.10176	0.6
133.10567	1.2
137.02988	0.9
138.72453	0.4
141.04808	1.3
147.11288	0.9
157.03513	0.5
158.07985	0.5
161.02985	0.6
180.11224	0.5
181.09755	0.8
184.04616	0.5
185.03001	1.9
198.11479	0.7
198.13187	2.6
226.11874	1.6
227.10385	0.5
227.13766	0.5
244.02602	1.0
244.11800	0.6
244.16582	1.7
245.04973	0.5
245.11510	0.5
264.17358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0927
Annotation	Cytosine arabinoside
Peak:m/z	Relative Intensity
55.01876	0.6
56.05021	1.5
56.96296	0.5
56.96562	7.4
57.03421	0.7
58.06599	0.8
60.08145	1.5
61.02920	0.8
61.18900	0.3
64.28131	0.4
68.01359	0.3
68.05013	0.7
69.03415	1.1
69.04546	1.4
70.06592	3.7
71.01344	0.4
71.05003	0.5
71.57330	0.7
71.95257	0.7
72.08153	12.7
73.02902	0.8
80.04988	0.4
81.03400	0.8
82.06553	0.7
84.04498	7.5
84.08141	12.0
85.02901	1.7
85.08463	0.8
86.06062	0.4
86.09704	0.5
87.04448	0.4
88.99162	0.4
94.04040	0.5
95.02454	3.5
97.02882	1.8
98.06044	1.4
98.97572	3.9
102.05545	0.6
110.09672	1.3
112.05083	100.0
113.03460	0.6
113.04721	0.4
113.05433	1.0
115.07876	0.4
115.08684	8.9
116.07088	3.2
116.98611	3.2
119.01900	0.9
124.07559	0.4
126.02450	3.7
128.98581	0.5
129.10216	0.5
130.04979	2.7
130.08655	1.0
131.00163	1.2
131.03616	0.4
133.03369	0.5
134.99640	2.3
141.03098	0.5
141.04793	7.3
142.96503	0.7
147.11227	0.4
149.01201	0.8
152.05664	0.6
153.10229	0.6
155.01863	0.3
156.06572	0.4
157.04433	0.3
158.08112	2.2
158.09258	0.4
160.97478	0.7
161.01270	0.3
163.02930	0.8
163.04407	1.4
167.25705	0.3
170.96027	0.4
175.10773	0.4
178.04951	3.1
180.11339	1.4
181.09724	1.2
182.08145	1.1
186.04422	0.8
188.06003	0.6
188.97083	2.4
190.07472	0.6
192.11259	0.3
193.00247	0.4
193.03885	0.6
198.11079	0.4
200.12167	2.0
202.03972	0.6
202.98613	0.6
204.05449	1.1
206.98134	2.0
208.08400	0.4
220.04797	0.6
220.99654	0.8
222.06497	1.3
226.11877	3.7
227.10303	0.4
227.13943	0.8
244.02840	0.7
244.09207	0.5
244.16689	1.7
245.05293	0.4
245.11305	0.8
245.14972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
56.05029	4.1
56.96564	1.1
58.98586	0.4
60.05640	0.7
69.07059	5.2
70.06587	3.0
71.32292	1.0
81.03428	0.5
81.04541	1.0
82.05315	1.4
83.06115	1.9
84.04504	86.7
84.08146	3.1
85.02919	0.7
85.04845	0.7
86.09705	100.0
87.10043	0.5
91.05485	5.2
95.04945	0.5
95.06100	0.5
98.97633	0.6
102.05532	0.5
110.07169	0.8
113.07141	0.9
116.07079	1.5
116.98583	0.7
124.03979	0.6
125.04302	1.2
129.05769	0.4
129.06601	10.2
129.07507	0.8
132.10205	37.2
134.99692	0.8
141.06584	4.3
142.07306	0.9
145.06570	0.8
152.10706	0.9
155.08118	0.8
158.09137	0.5
162.99092	0.7
169.13342	1.2
175.11960	0.8
177.00681	1.0
183.07695	1.1
197.05907	0.8
197.12860	37.0
198.79622	0.4
201.08670	0.9
215.13901	0.6
225.12358	1.4
243.10179	0.4
243.10732	0.6
243.13329	5.7
243.15352	0.4
243.18002	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
55.98565	0.4
56.05038	4.1
56.96572	1.4
57.03432	0.7
57.34092	0.4
60.05658	0.8
61.02934	0.4
61.88612	0.3
62.71454	0.4
67.05497	0.6
69.03416	0.8
69.07077	1.8
69.93607	2.2
70.06591	2.3
71.47369	0.3
72.08157	1.0
79.05515	1.0
81.03419	0.5
81.04539	1.8
81.07056	0.8
83.04992	0.5
83.06102	0.7
84.04502	83.2
84.08136	1.6
84.81206	0.4
85.02901	0.5
85.04846	0.7
86.09702	100.0
87.10027	0.6
91.05470	6.4
93.07077	0.4
95.04970	0.4
95.06124	0.5
95.08613	0.5
96.04481	0.8
97.04085	0.4
98.06041	0.7
98.21446	0.4
98.97575	1.1
110.06017	0.4
110.07165	0.7
113.07133	1.6
115.08688	0.4
116.07105	0.7
116.98590	0.7
121.48212	0.4
124.03936	2.6
125.04304	3.9
127.05025	1.3
129.06566	4.3
129.10226	0.6
130.05008	0.4
132.10201	39.2
134.99646	0.4
141.06560	3.9
152.10678	1.0
162.99152	0.8
165.06892	0.4
168.06551	0.4
170.04376	0.3
171.08179	0.4
177.00667	0.4
197.05956	1.2
197.12848	28.9
225.07491	0.5
225.12271	1.8
232.99648	0.4
240.99419	0.3
243.06709	0.9
243.10814	0.7
243.13414	6.5
243.17363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01867	1.4
55.05508	4.5
56.02640	1.3
57.07066	1.6
67.05500	25.7
69.07059	6.1
71.04990	100.0
71.58540	1.2
76.34690	1.0
79.05489	14.0
81.03403	1.2
81.07053	41.3
83.04961	2.4
83.08608	2.1
85.06533	6.6
91.05470	10.3
93.03734	3.4
93.07042	24.7
95.04954	2.3
95.08604	18.5
97.06525	3.7
97.44009	1.2
99.08080	1.3
105.07041	6.5
107.08592	8.4
109.06538	2.3
109.10165	2.2
111.08120	2.7
117.07019	8.1
117.38823	1.0
119.08600	3.0
121.06531	1.4
121.10141	2.8
127.07576	1.6
129.06990	3.7
131.08557	10.2
133.10150	6.9
135.11700	14.1
137.14714	1.0
142.07890	1.2
143.08549	3.2
145.10109	1.7
148.63547	1.0
149.09633	1.3
149.13237	7.9
157.10143	3.2
159.08136	1.1
159.11690	21.7
165.06964	1.1
171.11681	2.9
173.13274	1.5
177.12767	8.1
180.09389	1.3
183.08015	1.3
185.11734	1.3
185.13268	4.4
199.14825	2.5
209.15355	2.2
241.12234	3.6
241.19626	7.9
242.94907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66620	0.1
56.96570	1.1
57.74239	0.2
69.01970	0.2
70.63427	0.5
71.95274	0.2
98.97582	2.6
101.00886	2.0
115.57259	0.1
116.98623	3.0
118.98228	0.3
119.01921	17.4
120.02150	0.3
134.99690	3.7
137.02959	6.4
138.03069	0.2
138.95555	0.2
140.98808	0.4
142.03543	0.5
152.51993	0.2
153.00868	1.2
158.99873	1.1
161.93398	0.2
175.02991	0.2
177.00955	34.1
178.01022	1.7
179.00858	0.4
182.99945	0.5
193.04091	0.6
195.02084	0.8
197.00691	0.2
199.03029	0.2
200.02567	0.5
201.00925	1.6
201.02470	0.3
217.04079	3.9
218.03636	0.7
219.02005	33.8
220.02115	3.0
220.63751	0.2
221.01743	1.3
222.01976	0.3
225.00841	2.1
235.22755	0.2
237.03064	0.2
242.03523	1.0
243.01955	6.5
244.01970	0.3
257.25525	0.2
260.04639	0.2
261.03058	100.0
262.03189	4.3
263.03461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03929	0.3
55.05497	0.4
56.05013	0.3
56.96554	0.9
58.06599	25.2
64.85680	0.3
67.05471	0.3
69.03415	0.4
69.07056	0.4
70.06252	0.4
70.06592	4.1
70.22502	1.1
71.04963	0.3
72.08138	0.8
81.03405	0.9
84.04517	0.3
84.08140	14.2
88.08698	0.3
98.06053	0.7
98.09705	2.3
98.97587	0.4
99.04438	0.4
100.11229	0.9
107.04978	0.3
114.05506	0.7
116.07073	0.6
116.10722	0.4
124.03888	0.3
124.07552	0.3
126.05511	0.5
127.01493	0.3
128.10712	4.2
132.51778	0.3
136.82059	0.3
144.10205	1.9
146.52930	0.3
168.10233	1.3
196.09695	5.7
200.96152	0.3
213.15927	0.5
241.15463	100.0
242.15855	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	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01873	0.3
55.05473	0.3
56.05011	0.3
57.07052	0.2
58.06598	22.0
61.02909	0.2
67.05436	0.2
69.03414	0.3
69.88647	1.4
70.06590	4.5
71.04997	0.3
72.08152	0.4
75.04953	0.2
81.03413	0.6
83.04987	0.3
83.06096	0.2
84.04505	0.3
84.08139	12.8
85.02876	0.5
97.02863	0.3
97.86720	0.2
98.06039	0.6
98.09694	1.6
98.10233	0.3
100.11224	0.7
102.16074	0.2
104.10726	0.5
115.02437	0.2
116.07077	0.5
116.10699	0.3
119.01904	0.4
126.05523	0.7
128.10715	4.9
131.01904	0.8
132.01999	0.5
133.01640	0.2
133.03442	0.3
137.02907	0.2
144.10158	1.5
145.03452	0.4
147.01283	0.2
149.02972	0.6
150.03085	0.3
158.08107	0.4
168.10181	1.1
182.92392	0.2
196.09674	6.8
206.83647	0.2
213.15909	0.8
222.90207	0.2
241.15459	100.0
242.15747	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.05507	2.4
57.03426	3.7
57.18484	1.3
62.43921	1.1
67.05486	1.5
69.27226	16.0
70.84846	1.3
72.08150	1.3
75.04478	2.6
79.05496	9.6
81.07055	2.0
81.93349	1.1
91.05473	8.6
93.07042	58.7
95.04978	2.8
97.06517	1.5
98.97614	2.0
105.07025	9.5
107.08590	2.5
109.02851	1.6
111.08088	3.0
116.98603	1.6
119.08592	1.9
121.06531	1.2
121.10139	100.0
122.10464	1.7
123.08068	2.7
131.08580	4.2
134.99680	1.4
149.09613	14.5
156.09311	1.4
158.99733	1.5
167.10706	7.8
241.14047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01872	1.1
55.05508	1.5
57.03433	4.0
67.05507	1.6
69.03420	1.2
69.07078	2.7
71.57831	2.0
75.04485	3.1
79.05497	9.5
81.07064	4.2
91.05485	9.9
93.03735	1.8
93.07043	56.6
95.04974	4.0
95.08607	3.7
97.02917	1.3
103.05441	1.2
105.07030	9.2
107.08596	4.1
108.55495	1.1
109.06519	1.0
111.04438	1.1
111.08063	1.8
119.08556	1.7
121.10145	100.0
122.10476	1.4
122.69075	1.0
123.08080	2.9
129.07088	1.1
131.08591	4.2
134.57526	0.9
139.11183	2.3
149.09616	16.0
157.10016	0.9
163.11147	1.1
167.10657	6.3
171.11961	1.0
185.09668	1.0
195.08281	0.9
199.14882	1.2
241.08806	2.0
241.12134	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	24.8
60.08148	0.9
63.83829	0.3
64.57680	0.3
70.06593	3.3
70.53329	1.1
71.38456	0.4
72.08154	0.6
74.23685	0.3
81.03420	0.5
81.04524	0.4
84.08141	13.8
98.06049	0.5
98.09681	2.1
100.11272	0.6
103.87821	0.3
104.10049	0.8
104.10746	15.5
114.05546	0.4
116.07118	0.5
126.05594	0.4
126.09129	0.4
128.10722	4.9
144.10205	1.7
158.08182	0.5
168.10164	1.0
170.06700	0.3
196.09674	6.6
213.16000	1.0
237.34348	0.4
241.15469	100.0
242.15799	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.5
66.46237	1.2
67.05486	1.3
69.03417	2.3
69.30793	3.4
69.31212	7.5
75.04459	4.2
79.05480	8.6
81.07034	2.7
91.05471	8.0
93.03650	1.2
93.07041	58.2
95.04963	3.3
95.08599	2.2
105.07021	9.3
107.08566	1.7
111.08094	2.1
119.08578	2.8
121.06492	1.7
121.10141	100.0
123.08066	2.8
124.79449	1.0
131.08554	3.9
149.09627	14.9
167.10733	7.3
197.17252	1.1
199.78123	1.1
206.86447	1.0
241.19745	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.05503	2.2
57.03437	4.1
57.07072	0.6
67.05509	0.8
69.03417	2.2
69.07056	0.8
70.87137	1.4
72.08154	0.6
75.04475	2.3
79.05491	9.6
79.45731	0.4
81.03418	0.6
81.07076	2.5
83.08617	0.5
88.68369	0.5
91.05473	8.5
93.03694	0.8
93.07044	55.0
94.07369	1.4
95.04984	2.7
95.08589	1.0
103.05463	0.9
105.04579	0.7
105.07027	8.1
106.07811	0.6
107.08590	1.9
109.06489	0.6
109.10155	0.7
111.08078	2.4
119.08584	1.8
121.06551	1.2
121.10142	100.0
122.10487	1.4
123.08080	1.8
123.11769	0.6
131.06981	0.5
131.08566	4.1
133.07573	0.6
139.11197	1.0
149.09622	15.8
156.47289	0.5
167.10655	8.5
182.15422	1.2
223.13228	0.8
224.17622	1.0
241.12125	0.6
241.20117	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01879	0.8
55.05503	2.3
57.03434	3.8
69.03411	1.1
69.07063	1.4
69.28842	9.4
72.08135	1.5
75.04478	2.3
79.05486	8.0
81.07062	1.9
83.08633	0.7
91.05466	9.3
93.07037	53.7
95.04958	3.4
95.08596	1.8
98.08272	0.7
98.21466	1.5
105.07033	7.2
107.08596	1.7
109.06530	0.9
111.08065	2.6
119.08622	1.8
121.10135	100.0
122.10432	1.1
123.08075	2.3
128.06230	0.8
131.08583	4.9
139.11168	1.2
149.09610	14.1
167.10663	7.3
223.13336	0.8
248.85529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00219	0.2
55.05512	1.7
57.07074	17.6
58.06343	0.2
58.06600	2.6
58.49328	0.2
65.03953	0.2
67.05502	3.2
69.07056	0.9
70.63862	0.2
70.64199	0.5
71.08632	9.6
71.10056	0.2
79.05477	0.7
81.03382	0.2
81.06650	0.3
81.07061	3.2
83.01322	0.3
83.04984	0.3
83.08222	0.3
83.08621	2.8
84.04487	0.7
85.06536	0.4
85.10182	6.4
91.05486	0.3
93.07024	0.4
95.04953	0.3
95.08610	8.6
97.10170	1.1
99.11740	0.3
105.06999	0.4
109.06525	0.2
109.10150	5.1
117.07023	0.2
117.75289	0.2
121.10114	0.3
123.11691	1.3
129.07014	0.2
131.08578	0.4
142.07675	0.2
143.08531	0.6
145.06429	0.3
145.10149	0.3
145.23439	0.2
155.08482	0.3
156.09131	0.3
158.55034	0.2
159.07991	0.3
159.11690	0.3
165.06966	0.4
165.16406	0.4
170.10443	0.2
171.11644	0.5
172.12000	0.3
183.17436	5.6
184.12117	0.3
185.13290	0.4
185.86029	0.2
198.13629	0.3
213.12752	0.3
240.23212	100.0
241.10077	0.2
241.12254	1.3
241.19478	0.7
241.23528	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10328	1.0
52.04757	1.0
53.03941	1.9
55.05502	3.4
55.14983	1.0
56.96548	1.6
57.03437	5.4
57.31215	1.3
64.99034	1.1
67.05521	1.4
69.03429	2.2
69.07071	1.3
71.46631	1.0
71.46976	1.3
75.02693	1.6
75.04491	2.8
79.05493	10.4
81.07056	2.0
89.03904	1.9
91.05473	10.1
93.03703	1.8
93.07047	61.0
95.04958	3.8
95.08607	3.1
98.97579	1.8
105.07022	8.3
107.04904	1.3
107.08580	3.1
109.06531	2.2
111.08096	2.6
117.03378	2.7
119.08577	1.8
121.06493	1.2
121.10144	100.0
131.08566	3.1
133.07613	1.4
139.11143	1.4
139.66548	1.0
141.15610	1.1
145.02832	4.2
149.09615	15.1
167.10684	7.1
177.05499	5.6
186.99141	4.0
196.16890	1.6
197.17319	7.0
241.08727	2.7
241.15785	2.2
241.19917	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	240.1594
Annotation	Salbutamol
Peak:m/z	Relative Intensity
55.01866	13.6
55.05518	2.2
56.05033	1.5
64.60043	1.4
65.03941	1.4
67.05497	6.4
68.05019	5.6
69.03410	1.9
69.07059	18.0
70.02945	4.6
70.06587	24.9
71.04987	41.5
72.08134	2.5
79.05485	7.3
80.05008	3.2
81.07040	6.5
82.06573	2.6
83.04953	2.6
84.02150	2.5
84.08153	2.4
86.06064	4.1
91.05473	2.7
93.07040	3.2
94.06562	4.2
95.04958	2.0
95.08619	1.8
96.04490	4.4
96.08125	31.2
97.05283	1.6
97.06520	1.5
98.06055	3.7
98.09686	11.1
105.07042	1.4
106.06540	7.0
107.08591	3.8
108.08115	7.4
109.06560	1.4
109.10172	3.2
118.06441	1.4
120.08111	2.9
121.10090	1.7
122.06025	16.4
122.09702	1.6
124.07582	83.0
124.11195	2.9
125.08331	4.1
126.09140	2.5
135.08055	2.2
136.07538	1.7
137.09644	1.3
140.07062	20.6
150.12743	8.3
151.60199	1.2
152.07076	4.8
152.10565	3.0
153.07864	11.3
175.20435	1.3
176.14314	4.2
194.15378	11.5
204.13800	10.1
222.14874	100.0
223.15251	1.9
229.17480	1.6
240.06798	1.3
240.15964	6.3
240.18272	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
56.39040	0.3
57.07055	0.4
59.91913	0.3
67.05518	0.7
69.03432	0.4
69.07055	0.8
70.06592	0.8
70.64063	1.2
71.04976	0.4
72.04498	1.3
72.08139	0.7
74.06062	1.0
79.05482	1.1
80.05008	0.5
81.07063	2.4
82.06550	0.5
83.08607	0.7
84.08147	0.5
88.07623	0.3
91.05457	0.9
93.07039	2.7
94.06561	0.6
95.04972	0.7
95.08614	1.9
100.07594	0.6
107.08559	0.7
108.08100	1.1
108.97012	0.4
110.09634	0.6
111.04417	0.5
112.07619	0.7
119.08531	0.3
120.08044	0.4
121.10142	1.8
122.09631	1.4
124.07583	5.2
126.09127	0.4
127.93024	0.3
128.10701	0.7
135.11690	0.7
136.11201	2.5
137.13246	0.6
138.09138	1.2
139.09888	1.5
140.10698	0.6
142.09662	0.3
142.12230	1.1
149.09532	0.4
150.12779	1.5
151.13522	0.8
152.10693	2.3
152.14319	0.5
153.11430	0.8
154.04971	0.5
154.12254	3.1
162.93370	0.4
166.12276	5.0
167.13037	1.6
168.13812	0.9
178.15842	0.4
180.13779	0.4
189.87680	0.4
194.15434	1.9
196.16963	100.0
197.17284	2.1
198.18520	1.5
240.19580	41.6
241.15730	0.3
241.19908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.2
56.96558	0.7
57.07069	1.2
67.05511	3.0
69.07065	5.9
70.93707	1.4
72.11688	0.4
78.13525	0.5
79.05493	3.0
81.07064	3.8
82.91573	0.4
83.08632	2.2
91.05484	5.3
93.07041	2.2
95.04969	1.0
95.08592	4.5
103.05460	0.9
105.07037	6.2
107.08587	3.2
109.06540	0.4
109.10168	1.4
111.00821	0.4
115.05415	0.9
116.06231	0.7
117.07026	3.0
119.08589	5.2
121.10189	2.3
128.06229	1.7
129.07002	4.4
130.07806	1.1
131.08574	13.9
133.10138	2.9
141.06978	5.7
142.07759	4.1
143.08571	6.6
144.09355	1.0
145.10132	12.2
145.11293	0.7
153.06996	6.0
154.07784	4.5
155.08549	17.8
156.09361	2.6
157.10139	10.1
159.11703	7.9
165.07007	0.9
166.07822	0.5
167.08548	6.6
168.09351	16.9
169.10124	29.3
170.10837	1.6
171.11705	6.7
178.11873	0.5
180.09471	0.5
181.10149	5.4
182.10915	12.4
183.11700	75.6
184.12379	4.3
185.13261	1.6
193.10039	0.6
195.11688	5.1
196.12466	7.1
197.09621	2.7
197.13266	39.3
198.13841	1.3
206.11006	0.5
209.13264	3.5
210.14079	3.0
211.14832	12.2
224.15630	3.1
239.17950	100.0
240.18228	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	239.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40261	0.8
53.03936	1.5
55.05505	4.8
57.07063	2.2
61.38004	0.8
67.05499	10.9
69.07059	6.2
70.72327	2.1
79.05499	5.9
81.07057	12.6
81.50082	0.9
83.08619	1.8
89.06030	0.9
91.05462	6.2
93.07014	3.6
95.04964	1.4
95.08618	8.1
97.10170	1.0
105.07048	5.5
107.08564	2.0
109.10126	3.1
115.05411	1.3
117.07001	3.7
119.08605	5.8
126.29424	0.9
128.06224	5.5
129.06989	16.2
131.08566	8.9
133.10115	2.5
141.06978	15.9
142.07777	6.4
143.08562	19.7
145.10133	16.4
147.11688	1.4
153.06961	2.4
154.07751	5.9
155.07234	1.2
155.08548	27.6
156.09340	5.2
157.10123	24.4
159.11682	9.5
167.08562	5.1
168.09361	6.5
169.10118	31.6
171.11676	48.8
173.13234	3.3
181.10127	6.9
182.10918	4.4
183.11690	38.2
184.12273	1.1
185.13303	5.0
189.66312	1.0
195.11713	3.9
196.12495	3.6
197.13245	44.4
198.13979	2.1
209.13245	1.7
210.14117	4.6
211.14813	9.0
224.15530	1.8
232.60030	0.9
237.16382	1.7
239.08948	2.1
239.17935	100.0
240.18253	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10530	0.4
58.47499	0.3
60.53436	0.3
63.02372	0.5
67.25789	0.4
69.56395	2.5
69.56791	0.6
70.96642	0.3
80.15002	0.4
82.48489	0.3
89.03916	12.3
89.57896	0.3
91.05474	0.9
98.20818	0.7
98.57516	0.4
103.05450	0.6
106.04180	0.9
117.03378	41.6
118.03715	0.7
119.04945	0.6
120.08095	0.6
121.06493	0.4
134.03639	3.0
135.04376	2.2
145.02843	81.4
146.03195	1.0
147.04359	0.4
149.05980	12.4
151.62038	0.4
158.06122	0.4
163.03885	1.1
175.06172	0.3
176.65257	0.3
177.05469	100.0
178.05788	1.9
186.05476	1.2
204.06554	0.5
229.78931	0.4
238.10741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.6
56.96562	0.7
57.03460	0.3
63.02377	0.4
69.03427	0.4
70.06564	0.4
70.55222	0.9
72.08146	0.3
78.04688	0.5
79.05476	0.6
81.07056	0.6
83.37072	0.3
84.08156	0.3
86.09706	0.3
89.03915	7.8
90.62001	0.3
91.05474	1.3
93.07043	0.9
95.04974	0.4
97.81125	0.3
98.97585	0.4
103.05454	0.5
105.03349	0.4
106.04178	0.5
106.07368	0.3
107.52706	0.3
109.03850	0.3
117.03380	26.6
119.04928	0.3
121.06494	0.5
128.36189	0.3
134.03629	2.0
135.04387	1.9
136.06146	0.3
145.02844	61.3
146.03146	1.1
147.04419	0.3
149.05983	9.1
157.25537	0.3
162.03214	0.3
162.07742	0.4
163.03951	0.4
177.05469	100.0
178.05875	1.5
186.05435	1.4
204.06483	0.3
205.07353	0.3
220.09685	0.8
221.17244	0.3
238.10805	1.5
238.17932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
53.03941	0.3
55.05511	0.3
57.03436	0.3
63.02377	0.6
67.05486	0.2
69.64561	0.9
69.64981	0.8
70.63121	0.3
84.08138	0.5
89.03914	8.9
91.05483	1.4
93.07043	0.6
98.21535	0.3
103.05436	0.4
106.04184	0.5
117.03381	28.3
118.03732	0.4
119.08577	0.9
120.33488	0.2
121.06466	0.3
125.57650	0.3
126.78642	0.2
132.05219	0.3
134.03616	1.4
135.04427	1.8
136.06203	0.3
144.04379	0.3
145.02843	68.1
146.03178	0.9
147.04303	0.3
149.05984	9.8
163.03963	0.8
174.07368	0.2
177.05467	100.0
178.05853	1.7
186.05510	1.1
204.06606	0.6
220.09692	0.4
226.11736	0.2
238.10674	1.9
238.12756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98064	0.2
63.02359	0.3
66.92570	0.3
68.66403	0.3
70.14079	0.2
70.73987	0.9
70.74348	0.3
70.83762	0.3
78.04724	0.3
89.03916	7.3
91.05513	0.6
104.90278	0.3
106.04151	0.6
117.03377	27.4
118.03713	0.6
121.06487	0.3
124.05259	0.3
134.03641	2.6
135.04417	1.7
145.02840	60.1
146.03200	0.8
149.05980	8.6
163.03873	0.6
177.05466	100.0
178.05814	1.7
186.05470	0.7
201.51657	0.3
204.06459	0.5
220.09636	0.6
230.36923	0.3
238.10782	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	(E,E)-10-hydroxy-2,6,10-trimethyl-2,6,11-Dodecatrienal
Peak:m/z	Relative Intensity
52.44190	1.5
53.03951	3.4
55.01863	6.1
55.05511	15.6
56.96552	3.7
57.03426	6.7
57.07064	4.8
59.04992	5.7
66.26067	1.4
67.05499	19.7
67.58698	1.3
69.03429	10.7
69.07074	13.8
69.87267	1.4
70.23370	4.3
71.04990	22.4
71.08631	1.5
75.57442	1.5
79.05491	24.2
81.03417	2.3
81.07057	70.6
82.07382	1.8
83.04989	12.6
83.08625	4.7
84.08146	2.1
85.02908	1.9
85.06539	4.1
89.03925	8.5
91.05480	16.5
93.07043	26.0
95.04958	7.9
95.08600	26.5
95.71273	1.7
97.02908	1.9
97.06532	7.2
97.10161	2.3
98.20907	2.0
98.97578	8.4
99.08091	25.2
103.05474	2.4
103.75169	1.6
105.06333	1.5
105.07018	21.8
107.04967	3.5
107.08588	27.2
109.06521	16.5
109.10147	25.2
111.04466	1.7
111.08086	4.5
115.05461	3.6
116.98653	7.7
117.03388	20.7
117.07009	7.0
119.04936	2.3
119.08570	11.2
121.06509	4.3
121.10142	20.7
123.04432	1.7
123.08054	7.0
123.11675	9.3
125.09634	6.3
127.07533	12.5
127.11194	15.9
130.07785	1.8
131.04849	2.1
131.08612	7.5
133.10129	24.3
134.03650	2.8
134.10426	1.8
134.99643	5.4
135.04416	2.9
135.08038	4.1
135.11691	10.6
137.06004	2.9
137.09651	1.9
139.11171	4.8
141.07040	1.6
142.06535	1.4
143.10681	4.2
145.02849	60.3
145.06445	2.4
145.10112	12.2
147.11681	6.6
149.05968	11.7
149.09612	1.9
149.13269	6.5
151.11172	30.0
155.10693	5.2
158.99673	3.7
159.08029	2.7
159.11635	9.1
161.05992	2.3
161.13278	5.2
163.03993	2.5
163.07553	2.5
163.11188	4.9
163.14751	1.5
165.12749	3.6
173.13260	2.7
177.00749	4.5
177.05469	100.0
177.12637	2.2
177.16373	3.1
186.05363	2.2
187.07433	1.6
191.07045	5.4
191.17926	2.3
193.04968	1.7
194.07104	2.8
195.13774	1.5
201.16365	5.1
207.06760	1.9
213.26073	1.5
219.06573	2.6
219.09949	2.7
219.13933	2.6
219.17413	9.2
220.16994	1.9
237.07486	7.4
237.11157	2.2
237.14804	4.9
237.18555	13.1
237.22179	4.7
238.18210	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03932	8.4
55.01868	10.0
55.05504	37.7
56.96566	28.8
57.03423	14.5
57.07067	6.9
59.04992	5.7
65.03927	3.9
67.05507	28.6
69.03423	55.9
69.07066	28.8
71.04991	59.4
79.05494	34.9
81.03400	6.5
81.07049	89.3
81.12399	3.3
83.04977	31.4
83.08591	6.0
84.08138	6.7
85.02924	5.7
85.06532	7.7
91.05473	30.6
93.07034	52.1
95.04962	23.8
95.08605	32.8
96.23193	3.5
97.02888	15.3
97.06520	20.0
97.10160	5.1
98.21574	5.2
98.97598	11.7
99.08090	23.0
103.05459	5.2
105.07014	44.4
107.04948	6.5
107.08579	40.5
108.89051	3.1
109.02903	4.0
109.06516	48.3
109.10146	29.4
111.08060	9.6
112.99193	5.0
113.09657	3.6
115.05470	4.9
116.98625	8.1
117.07021	8.4
119.08566	21.9
121.06487	5.8
121.10139	33.1
123.08008	9.3
123.11687	23.4
125.09641	14.3
127.03859	4.3
127.07573	8.8
127.11192	68.9
130.88101	3.4
131.08566	12.0
133.10132	59.7
134.99672	5.4
135.04494	4.3
135.08086	9.3
135.11699	9.7
137.06004	5.2
137.09589	6.4
139.11185	13.1
143.10690	14.1
145.02864	13.5
145.10098	30.1
146.05928	4.8
146.99591	7.0
147.11681	15.1
149.01184	7.3
149.13196	6.1
151.11172	100.0
155.10617	17.4
159.11716	15.5
161.13245	6.3
162.03621	4.7
163.07588	6.5
163.11188	7.1
166.12289	7.0
173.13263	3.2
177.00655	3.8
177.05420	20.9
177.12747	6.4
191.02132	3.5
191.06989	18.4
193.08536	4.2
194.07037	13.1
198.01802	3.7
201.16342	9.1
219.06535	7.2
219.10150	4.9
219.17456	11.5
237.07555	15.4
237.14799	7.9
237.18442	19.1
237.22096	6.1
243.09041	3.8
256.05127	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	237.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05493	2.2
57.07053	2.3
61.21571	0.5
62.90950	0.6
65.36192	0.6
67.05487	2.0
69.07069	10.6
70.64782	2.3
79.02534	0.6
79.05487	3.3
81.07046	2.8
83.04958	1.8
83.08628	3.0
85.02927	0.6
91.05479	3.9
93.07041	3.1
95.04977	1.5
95.08584	2.2
103.05432	0.6
105.07027	3.2
107.08569	1.7
107.92186	0.5
109.10149	0.9
111.04414	0.7
111.22462	0.5
115.05446	1.8
116.06201	0.9
117.07009	1.1
119.08584	2.9
121.10143	9.1
123.08097	0.7
125.09558	0.8
128.06219	7.8
129.07011	25.5
131.08571	3.5
133.10175	0.8
135.11644	1.2
141.06956	2.0
142.07791	1.3
142.29242	0.5
143.08549	15.8
145.06483	1.0
145.10109	1.9
152.06192	2.5
153.06973	6.6
154.07794	0.8
155.08548	2.6
157.10168	4.5
159.11691	0.9
165.06992	21.8
166.07787	22.3
167.08563	27.9
168.09259	2.7
169.10121	5.4
178.07758	1.4
179.08536	9.7
180.09344	13.7
181.10118	87.9
182.10873	7.0
183.11659	2.0
192.09314	1.6
193.10114	9.6
194.10899	9.5
195.08064	2.6
195.11684	45.5
196.12273	2.2
207.11697	8.3
208.12480	5.2
209.11676	1.0
209.13264	18.6
219.11790	0.8
221.13248	1.3
222.14034	10.0
223.14659	0.7
237.12576	3.0
237.16394	100.0
237.22026	2.2
238.16406	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	237.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01885	1.2
55.05507	6.6
57.07076	5.6
67.05501	8.1
69.03432	1.0
69.07065	13.4
69.07406	1.1
70.65179	3.3
78.37344	1.0
79.05496	6.4
81.03440	3.9
81.07057	8.3
81.80285	0.9
82.66682	1.3
83.04997	3.3
83.08624	5.3
85.06566	0.9
87.90655	0.9
91.05504	4.1
93.07044	6.2
94.04185	1.0
95.04962	11.7
95.08598	7.0
95.74151	1.0
97.06522	1.6
105.07059	4.0
107.04994	4.0
107.08606	4.6
109.06561	1.7
109.10178	1.6
111.04482	2.5
115.05495	2.1
117.07032	2.9
118.06568	1.2
119.08610	1.6
121.06551	1.6
121.10129	8.1
123.08181	1.3
128.06288	4.2
129.06993	18.5
131.08609	4.2
133.10156	1.5
135.11731	1.7
141.07036	2.8
142.07771	1.2
143.08557	10.9
145.06570	1.5
145.10136	2.1
149.02391	1.4
149.13307	1.4
152.06248	1.7
153.07001	7.4
155.08632	3.6
157.10204	3.3
159.11696	2.4
165.06993	20.4
166.07780	24.1
166.09074	1.4
167.08574	29.8
168.09334	1.7
169.10147	5.1
177.12874	1.1
178.07784	1.5
179.08548	12.0
180.09319	14.2
180.10786	1.2
181.10115	100.0
182.10812	7.0
183.11751	2.7
187.11206	1.5
191.10779	1.6
192.09424	1.3
193.10133	8.7
194.10892	10.7
195.08113	3.7
195.11697	50.0
196.12381	1.5
205.12355	1.3
207.11726	8.8
208.12468	5.6
209.10129	1.9
209.11777	1.5
209.13306	21.7
209.15080	1.9
222.14081	8.3
237.16521	91.3
238.16820	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Placidene D
Peak:m/z	Relative Intensity
53.03933	1.0
55.01865	2.5
55.05509	11.7
57.07053	1.6
59.04976	1.7
65.03910	1.0
66.04689	0.7
67.05496	10.5
69.06734	0.7
69.07066	9.6
71.04980	0.7
71.58343	0.9
79.05493	7.1
81.03415	13.5
81.07048	9.5
83.04950	1.8
83.08611	8.2
85.06531	0.8
91.05472	5.1
93.07033	5.2
94.04180	4.5
95.04962	13.4
95.08607	5.3
97.06486	2.1
97.10125	0.5
105.07018	3.1
107.04949	11.3
107.08604	2.4
109.06495	2.0
109.10117	1.4
111.04439	0.8
111.08056	0.8
117.07011	2.8
119.08547	1.3
121.06455	0.8
121.10091	1.6
123.08047	2.1
123.11646	0.6
124.05580	0.6
125.09578	0.6
128.06171	0.5
129.06944	1.0
131.08517	2.0
135.08037	0.7
135.11653	1.4
139.11209	0.4
141.06923	1.4
142.64539	0.5
143.08542	1.3
145.10110	2.2
149.09613	0.7
153.05426	0.5
153.07150	0.4
153.78137	0.4
154.07758	0.7
155.08498	1.7
157.10046	0.7
159.11703	0.9
163.11139	0.9
165.06975	1.4
166.07765	0.9
167.08504	2.2
169.10121	2.3
179.08589	0.6
180.09348	0.9
181.10106	5.4
183.11589	1.0
194.10922	0.7
195.11700	5.3
205.12189	3.9
207.11725	0.7
208.12326	0.9
209.13319	2.5
219.21033	1.0
222.13835	0.9
237.14766	100.0
237.21956	1.9
238.15079	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	237.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20931	0.4
50.57616	0.4
53.03954	1.7
53.57093	0.5
55.01867	3.6
55.05502	3.8
55.05707	0.4
57.03434	5.1
57.07080	1.8
64.55673	0.4
65.03939	1.0
67.05508	5.5
68.99802	1.0
69.03447	1.1
69.07066	3.3
69.34055	0.5
69.93562	1.8
69.93969	0.8
71.05004	1.0
79.05493	4.5
81.03413	4.1
81.07056	8.1
83.04990	3.1
83.08624	1.8
84.08157	0.6
85.06535	1.3
89.03912	1.2
90.17702	0.5
91.05460	3.6
93.03423	0.5
93.07041	5.6
95.04967	4.6
95.08604	6.2
97.06549	1.8
97.10175	0.9
98.20808	0.7
99.04459	1.0
99.08110	2.3
103.05440	0.9
105.03387	1.1
105.06998	2.7
107.04959	1.3
107.08598	4.4
107.68935	0.5
109.02872	5.3
109.06550	2.0
109.10147	3.1
111.04452	3.0
111.08088	1.0
115.05486	0.6
117.03384	1.9
117.07041	1.5
119.08585	2.6
120.83822	0.5
121.06502	1.4
121.10132	7.7
123.04427	5.1
123.08091	1.5
123.11700	1.2
125.09611	1.1
127.03917	8.8
127.04809	0.8
127.11131	0.5
129.06996	0.5
131.04944	1.5
131.08574	2.4
133.06500	0.6
133.10139	1.5
135.04456	0.7
135.08069	1.6
135.11691	2.0
137.09554	1.3
139.03899	57.2
139.11218	0.6
140.04221	0.8
142.04192	0.5
144.05760	0.6
145.02817	3.9
145.10139	1.5
146.05969	1.1
147.11703	0.8
148.05182	1.1
149.02335	0.6
149.05991	1.3
149.09595	1.1
149.13252	1.2
151.03899	100.0
151.11130	1.1
152.04289	1.7
159.08057	0.7
159.11697	1.7
161.13263	0.8
163.03925	0.5
163.07545	1.0
163.11176	1.4
165.06993	0.6
165.09093	1.1
167.14403	0.5
169.04962	3.4
169.08641	1.1
173.13249	0.6
177.05470	8.4
177.12706	0.9
181.06569	0.5
181.08553	0.7
181.10094	1.1
190.13930	0.5
191.06993	1.2
191.14317	0.6
192.08696	0.4
193.08603	70.3
194.08919	1.1
194.89819	0.5
195.11717	0.9
207.11803	0.7
219.06541	1.0
219.10196	1.3
219.13821	2.2
219.17400	1.5
237.07416	1.7
237.09439	0.7
237.11179	16.2
237.14816	1.1
237.16513	0.9
237.18410	1.4
237.22113	2.2
239.11734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.087
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
61.54247	0.9
70.60318	2.0
70.60714	2.0
74.02445	7.6
91.05490	5.6
92.05010	1.0
94.06571	41.4
95.04974	1.2
99.00819	14.1
103.05482	0.9
104.04990	8.8
107.04977	1.0
112.97707	0.8
117.05754	1.4
118.06544	51.6
120.04473	19.1
120.08110	5.1
122.06020	1.7
125.02502	0.8
128.04950	1.5
130.06511	1.4
132.04453	14.0
136.07579	62.6
137.07980	1.1
146.06010	100.0
147.06392	0.9
148.03935	3.7
150.05504	19.7
156.04422	2.1
163.08704	3.3
164.07071	8.6
174.05513	54.1
175.05919	1.1
177.05518	2.3
191.06985	1.4
192.06563	38.7
202.04988	15.3
202.06738	0.9
220.06076	9.8
224.78569	0.9
237.08871	1.8
237.12468	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0871
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
56.96544	0.3
57.07062	0.2
62.21325	0.2
67.05475	0.2
68.48681	0.2
69.42443	0.2
69.51061	1.1
69.51489	0.6
70.06600	0.3
72.08149	0.3
74.02042	0.3
74.02440	5.6
77.84364	0.2
84.08152	0.4
86.09668	0.3
91.05470	0.6
94.06535	0.4
98.21455	0.4
118.06521	1.7
121.06497	0.2
128.04961	4.9
130.06541	0.3
132.04468	0.4
146.06003	100.0
147.06363	2.0
148.03937	0.8
157.07663	0.3
158.06029	0.6
161.11330	0.2
172.07565	0.2
174.05536	0.3
191.08165	0.7
219.07701	0.4
237.08742	1.5
237.22345	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	234.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
57.03437	1.5
59.09303	0.3
61.97448	0.3
70.10212	1.6
70.10601	0.6
79.05490	1.1
81.07048	4.1
94.04048	1.2
98.21518	0.4
99.08135	0.4
118.44431	0.3
119.03535	2.3
136.06180	100.0
137.04616	2.4
137.06534	0.9
176.20523	0.3
190.10912	1.8
205.25398	0.3
234.13492	54.1
235.13669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0868
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
56.96574	0.4
58.78489	0.4
60.21274	0.5
63.89531	0.4
65.03925	0.7
65.54778	0.5
67.05489	0.5
70.70515	1.5
74.02444	2.9
75.03214	0.9
80.05009	0.6
91.05474	2.8
94.06568	2.3
95.04974	0.6
103.05471	0.6
104.04964	0.7
108.04518	0.8
108.08083	0.6
109.05273	0.5
110.06019	1.7
110.32648	0.5
118.06538	9.1
120.04470	2.6
120.08096	0.9
122.06017	1.5
128.04977	6.8
130.06525	11.9
131.04964	0.7
131.07370	0.8
132.04486	2.2
133.05228	1.8
134.05937	0.6
136.07561	3.9
145.02904	0.7
145.07611	1.9
146.06007	100.0
147.06380	2.1
148.03931	19.3
148.05112	1.0
150.05516	0.9
157.07611	9.1
158.06013	1.3
159.09169	2.4
162.05643	0.6
163.05847	0.6
163.08696	0.9
164.07057	2.0
173.07092	4.8
174.05510	18.5
174.07794	0.7
176.07095	1.0
177.05502	1.3
178.04962	1.5
191.08167	25.4
192.06541	2.2
192.08328	0.7
202.05019	1.9
203.08148	5.7
204.08849	1.1
219.07726	1.2
220.06050	4.7
237.08719	9.1
237.15010	0.5
237.22185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84508	0.4
54.31745	0.4
55.05516	3.2
56.63280	0.4
56.96563	0.6
57.03433	3.0
57.07068	0.5
67.35675	0.5
69.03428	1.3
70.06575	1.0
71.02709	1.2
72.08160	2.4
72.93758	0.6
76.70412	0.4
77.26755	0.4
79.05504	0.8
81.07053	2.0
84.08160	0.6
85.02910	0.7
91.05472	4.1
94.04055	0.6
98.06046	0.6
98.97579	1.1
114.10313	0.7
116.98645	1.0
119.03586	1.0
119.04982	1.2
136.06183	74.9
137.04605	0.9
139.08708	0.5
147.04414	4.4
148.06174	29.3
149.08260	0.7
153.08438	1.6
157.10846	0.7
158.11578	0.4
174.05269	0.5
190.10873	100.0
191.11179	1.7
207.06512	0.5
234.13498	43.7
235.13918	1.3
235.16847	0.8
254.98186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
51.02362	1.1
52.66654	0.9
53.03930	3.6
55.01859	2.8
55.05509	5.3
56.96552	2.4
57.03435	1.0
57.07071	4.7
59.04990	2.8
63.28980	0.9
65.03925	2.1
67.05182	1.0
67.05505	15.1
68.32421	0.9
69.03072	1.6
69.03428	20.8
69.07069	5.5
70.06563	1.0
71.01331	1.6
71.04996	4.7
71.58024	1.1
74.06057	1.8
77.03907	1.3
79.05489	45.7
81.03400	2.9
81.07050	15.8
81.42234	1.0
83.04980	4.6
83.08615	6.3
84.08116	2.0
85.02885	3.5
85.06535	5.1
86.09700	1.3
88.07642	1.9
91.05478	33.1
93.06477	1.4
93.07041	20.3
95.04964	33.3
95.08592	12.2
96.61806	0.9
97.02853	2.0
97.06517	4.1
99.04430	1.9
103.05453	4.1
103.14793	1.1
105.04523	0.9
105.07024	31.6
107.04952	36.5
107.08591	20.1
109.02836	1.9
109.06512	10.0
109.10145	7.1
111.04437	4.6
111.08068	4.2
113.05991	3.6
113.69353	1.0
115.05450	5.3
116.06215	3.0
117.07011	14.6
119.04927	2.2
119.08578	100.0
120.04457	1.2
120.08896	2.1
121.06492	9.6
121.09310	1.9
121.10130	19.1
123.08067	5.7
123.11714	4.0
123.72853	1.0
125.09639	1.4
128.06190	3.2
129.06985	8.4
130.07765	4.1
131.04901	1.4
131.08566	27.7
133.06479	9.2
133.10126	16.5
135.04411	1.2
135.08052	7.9
135.11671	3.6
136.06190	1.3
137.05995	5.3
137.09616	10.0
139.03848	1.0
141.06969	3.3
142.07759	4.4
143.08537	8.7
144.05717	1.7
144.09300	3.0
145.06477	7.7
145.10121	45.6
146.07220	1.9
146.10799	1.0
147.08043	31.1
147.11679	12.3
149.05927	1.8
149.09613	15.3
149.13228	2.7
151.07521	2.7
151.11107	1.5
153.09189	1.1
154.07796	1.8
155.08543	5.5
156.09352	5.3
157.06503	1.4
157.10127	11.0
158.07262	2.1
158.10922	3.0
159.08084	7.6
159.11696	12.0
160.08804	2.7
161.05972	1.3
161.09607	3.6
161.13197	2.3
163.07613	1.8
163.11163	7.2
163.14743	2.5
165.09070	1.4
167.08557	2.9
169.10097	5.9
171.08116	1.6
171.11703	5.9
172.05086	2.3
172.08838	1.6
172.12424	1.9
173.06067	1.5
173.09622	19.5
173.13263	15.6
174.10388	1.6
175.07565	2.1
175.11165	14.7
177.05444	1.5
177.09103	4.1
182.10875	5.8
187.07512	1.2
187.11150	10.4
187.14781	12.4
189.09114	2.7
189.12758	8.6
191.10663	2.3
191.14301	42.6
191.16064	2.1
192.14703	1.2
197.13240	9.1
200.12015	1.2
203.08525	1.1
203.14182	1.4
205.08571	2.6
205.12234	1.7
205.15863	2.5
215.10799	6.0
215.14304	15.5
215.17828	1.9
218.05658	1.0
219.20879	1.2
233.08015	4.3
233.11861	11.3
233.15352	82.9
233.19101	3.6
233.22972	8.9
234.13550	1.1
234.15807	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.02376	1.1
53.03940	3.4
55.01865	1.1
55.05518	3.6
57.07061	0.8
67.05483	3.1
69.03425	6.4
69.07056	1.7
71.01337	1.2
79.05491	72.3
81.03378	1.4
81.07056	6.8
83.04964	2.1
83.08626	6.7
85.02856	1.3
91.05471	7.1
93.03423	0.8
93.07041	9.2
95.04956	10.5
95.08598	3.1
97.02877	2.4
97.06523	1.4
98.21523	1.4
105.02709	1.0
105.03388	11.3
105.04451	1.1
105.07025	10.7
107.04951	71.2
107.08593	11.0
108.05272	0.7
109.06496	3.2
111.04438	1.3
111.08096	5.6
115.05455	1.2
116.06189	1.0
117.07005	2.3
119.04819	0.9
119.08580	8.6
121.06503	3.6
121.10142	8.3
123.08064	2.5
123.11735	1.4
125.09605	2.8
127.63133	0.6
128.06238	0.8
129.07001	1.9
130.07791	0.8
131.08563	8.3
133.06415	1.1
133.10114	7.7
135.08031	2.8
135.11707	0.9
136.06204	1.7
137.05972	1.8
141.06964	1.0
142.07745	1.5
143.08519	2.3
144.09354	0.9
145.06462	1.9
145.10129	5.9
147.08057	1.4
147.11682	10.1
147.50337	0.7
149.09607	10.6
149.13248	3.9
156.09369	0.9
157.10164	4.5
158.10815	1.6
159.08057	1.8
159.11575	1.7
160.08774	2.0
161.09630	1.4
163.11188	1.4
169.10194	0.9
173.09595	1.1
173.13292	7.0
175.11171	10.2
182.10966	0.9
187.11174	2.2
187.14656	1.0
189.09047	1.5
189.12570	0.7
191.14302	78.9
192.14734	1.9
197.13290	1.4
202.03212	0.9
205.12257	0.8
215.10835	1.3
215.14304	2.1
229.21645	0.9
233.12016	5.4
233.15356	100.0
234.15686	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	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03933	4.1
55.01867	1.9
55.05511	4.8
55.81205	0.9
57.07066	2.6
57.87955	0.9
65.03937	0.9
67.05498	4.3
69.03426	7.0
69.07061	2.2
69.77336	4.0
69.77742	1.9
71.01350	1.6
71.04988	2.0
79.05495	66.6
80.05803	1.0
81.03414	2.3
81.07056	10.2
83.04966	2.5
83.08627	7.5
85.02885	1.4
85.06546	2.8
91.05476	10.4
93.07050	11.6
95.04977	12.0
95.08602	5.0
97.02888	2.9
97.06514	2.9
105.03404	13.2
105.04496	2.0
105.07033	17.0
107.04952	70.4
107.08598	15.4
109.02872	0.9
109.06513	4.2
109.10141	1.8
111.04443	2.5
111.08082	6.9
113.06030	1.4
116.06185	1.1
117.07018	5.2
119.04895	1.3
119.08580	19.2
121.06494	5.5
121.10136	10.0
122.21918	0.9
123.08067	3.6
123.11710	1.0
125.09618	3.1
128.06219	0.9
129.07010	3.3
130.07794	1.6
131.08568	14.9
133.06462	1.9
133.10124	10.8
135.08072	5.0
135.11685	2.0
137.05998	1.4
137.09607	4.7
141.07028	1.0
142.07788	2.8
143.08563	3.1
144.09283	1.7
145.06488	2.8
145.10124	16.3
147.08040	18.5
147.11681	18.3
149.09625	10.7
149.13275	4.0
156.09302	1.5
157.10136	6.4
158.10872	2.5
159.08022	3.3
159.11688	3.3
160.08792	1.6
161.09605	2.1
163.11186	7.4
163.14899	1.6
167.08514	1.1
169.10085	2.1
171.11665	1.6
172.12466	1.2
173.09601	2.6
173.13283	10.6
175.11182	20.9
180.49675	0.9
182.10951	1.2
187.11168	3.3
187.14830	2.4
189.09032	1.0
189.12766	4.5
190.13412	1.0
191.14307	84.4
192.14638	2.7
195.34966	0.9
197.13228	2.8
215.10745	2.8
215.14313	7.1
233.12030	6.2
233.15363	100.0
234.15738	2.5
241.35272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
51.03870	0.4
51.09853	0.4
53.27486	0.4
55.05505	3.0
56.05034	18.9
56.96565	8.2
57.03432	3.4
58.06596	3.5
60.04516	0.8
60.05641	0.6
61.02930	0.9
67.05490	0.6
69.03432	1.6
69.07063	0.8
70.02938	0.5
70.06586	2.6
71.01334	0.5
71.04939	0.5
71.59489	0.6
72.08156	17.0
73.02940	0.4
73.08498	0.6
74.02424	0.5
74.06078	100.0
75.04478	1.3
75.06423	0.5
81.03394	0.5
82.06579	2.2
83.06942	1.0
84.04503	5.0
84.08150	4.1
84.96043	1.0
85.02886	2.0
85.04031	0.4
86.06081	2.4
86.09705	30.2
87.04461	1.8
87.10027	0.5
88.03991	6.1
96.08129	0.7
97.02914	0.4
98.06051	0.7
98.09678	0.5
98.97582	1.5
99.09235	0.7
100.07634	1.1
101.00893	0.6
101.06062	0.5
101.07154	2.2
107.97080	0.4
110.02410	1.2
112.03857	0.5
113.02371	0.7
114.05553	0.5
116.07105	0.8
116.98620	1.5
118.08653	5.2
119.00200	1.1
119.01913	6.1
120.06600	0.4
121.01689	0.7
124.07581	0.8
126.09142	0.8
127.08688	2.9
128.07080	2.7
128.98650	0.7
130.05011	1.8
130.08661	1.0
130.09750	0.6
131.00188	0.4
132.10204	18.4
133.03456	2.2
134.99677	1.3
135.03172	0.6
137.02974	1.3
140.10797	0.4
141.10222	0.6
142.08662	2.0
142.12277	1.1
143.00159	0.5
143.01848	2.6
143.11832	1.1
144.98116	0.5
146.99620	2.0
149.01225	0.9
149.02966	0.6
151.04529	1.1
152.07056	3.4
157.91072	0.4
158.11758	1.2
161.01237	1.0
161.02980	5.5
162.03307	0.4
162.99156	0.9
163.02783	0.7
165.00740	1.1
169.09695	0.6
169.13371	1.9
170.08197	1.0
172.09688	0.5
173.01422	0.5
173.03014	1.4
173.09180	0.9
175.04410	0.5
177.00729	0.8
183.01767	0.8
185.02974	0.5
187.10767	3.3
187.14418	8.9
187.15996	0.8
190.98732	0.8
191.02267	1.0
191.04008	1.9
198.07605	2.4
207.01862	0.6
208.99704	2.0
209.03355	0.4
215.10336	0.9
215.13924	2.3
216.08617	0.5
222.04039	0.4
227.00900	0.5
233.06369	3.3
233.12473	0.8
233.14931	5.5
251.04390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1496
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.29314	0.4
55.05499	0.7
55.64344	0.5
56.05035	18.0
57.03437	2.4
58.06606	3.3
68.05042	0.5
70.70062	1.0
71.62237	0.4
72.08158	0.5
73.33637	0.4
74.02445	0.6
74.06078	100.0
75.04487	1.0
83.08615	1.3
84.04515	3.4
84.08109	0.4
86.00699	0.4
86.09702	22.8
86.99075	0.4
87.05581	0.9
91.61920	0.5
95.04967	0.5
98.09708	0.4
100.03993	0.9
101.07140	2.5
101.56882	0.5
110.09636	0.5
126.12823	0.7
128.10738	1.0
132.09213	1.0
132.10207	17.8
132.45216	0.5
142.12273	0.7
148.05185	0.4
156.10239	1.2
169.13403	1.6
174.11266	1.7
187.14424	9.8
215.13931	3.1
233.14951	7.1
242.32996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05507	1.8
56.05035	19.5
56.96575	2.7
57.03436	2.8
58.06602	3.9
60.04544	0.5
60.05650	0.7
61.90365	0.4
69.03426	0.8
69.07073	1.0
70.06599	1.7
70.69991	1.4
71.04992	0.4
72.08159	12.8
74.06080	100.0
75.04490	1.4
75.06428	0.5
76.92758	0.4
77.94382	0.4
82.06586	0.8
84.04506	4.0
84.08132	3.4
85.02910	0.8
85.03991	0.4
86.06061	3.0
86.09706	28.5
87.04477	1.2
88.03991	4.1
88.07608	0.6
98.02434	0.5
98.06061	0.9
98.09690	0.7
98.97607	0.5
99.04436	0.7
101.00880	0.8
101.07162	2.5
110.02400	0.6
116.72308	0.4
118.08674	1.8
119.01920	3.9
120.06576	0.5
121.01718	1.0
124.07603	1.0
126.09172	0.6
126.12833	0.5
127.08678	2.0
128.07074	2.1
128.98592	0.5
130.05043	1.4
130.08649	0.6
130.09729	0.6
131.01973	0.8
132.09221	0.8
132.10208	16.9
133.03464	1.4
137.02980	0.7
140.07063	0.5
142.08626	0.9
142.12314	0.8
143.01944	1.8
143.11826	1.0
144.10207	0.7
146.99670	0.6
151.04515	0.4
152.07068	2.8
158.11755	1.0
161.02945	5.0
169.09714	0.5
169.13454	1.3
170.08205	0.5
173.02994	1.1
173.09377	0.6
185.68513	0.4
187.10789	3.2
187.14435	9.8
188.09178	0.4
188.30377	0.4
189.03284	0.5
191.02293	1.4
191.04066	1.2
198.07661	1.0
208.99770	1.0
215.13881	2.4
233.06418	3.5
233.08257	0.5
233.12752	0.7
233.14960	5.6
234.09828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03945	3.2
55.01883	5.8
55.05513	5.7
57.03440	2.3
57.07075	2.4
65.03928	3.5
67.05500	11.8
68.99787	2.5
69.03436	5.6
69.07062	4.2
71.04987	9.2
71.31965	2.0
71.57407	1.2
71.78450	1.2
74.06079	2.3
77.03920	1.3
77.88152	1.2
79.05495	18.3
81.03407	3.3
81.07050	16.6
83.04975	2.7
83.08593	1.4
85.06532	3.5
86.09699	2.1
88.07626	4.2
88.68374	1.2
89.07986	1.3
91.05478	34.9
93.07044	19.9
95.04964	12.1
95.08607	6.4
97.02875	1.8
97.06524	3.5
99.04453	21.9
103.05472	3.8
105.07033	51.3
107.04971	9.0
107.08590	8.6
109.06531	6.3
109.10174	3.2
111.04417	1.6
115.05443	10.4
116.06224	4.1
117.07024	27.0
119.04939	23.6
119.08572	18.4
121.02836	1.3
121.06496	16.4
121.10183	6.6
123.04458	2.3
123.08063	2.9
123.11670	1.2
124.29414	1.2
125.05952	1.4
125.09580	1.7
128.06189	5.1
129.07010	16.1
130.07800	14.1
131.04947	3.8
131.08569	26.4
133.06464	4.8
133.10130	13.0
134.31027	1.2
135.04343	1.8
135.08070	6.2
135.11658	3.9
136.06203	3.3
137.05972	3.4
141.07002	6.1
142.07857	2.0
143.08548	14.9
144.05701	4.0
144.09338	7.9
145.06487	16.4
145.10123	71.1
146.07230	1.5
146.10503	1.7
147.04442	1.4
147.08032	3.8
147.11697	7.1
149.05978	3.9
149.09604	4.1
149.13245	2.1
151.03940	1.2
153.06937	2.8
154.07761	6.4
155.04919	1.5
155.06023	2.2
155.08527	4.4
156.09373	1.9
157.06454	2.9
157.10132	4.7
158.07243	9.6
159.04333	1.4
159.08078	14.6
159.11702	35.9
161.05962	3.7
161.09720	2.2
161.13205	2.0
163.03899	1.5
163.07553	4.3
163.11182	18.0
169.10146	16.7
171.08069	2.9
171.11678	3.9
172.05196	6.1
172.08856	4.5
173.05997	5.5
173.09625	100.0
173.13219	5.6
174.06763	5.7
174.10039	1.5
175.07587	9.3
175.11142	2.4
175.14810	1.9
177.05518	2.4
177.09125	2.7
177.12766	2.2
179.08618	2.6
182.07289	2.2
187.07613	5.8
187.11176	57.4
187.14735	2.9
187.18967	1.9
188.11510	1.7
189.09100	3.4
189.12730	3.9
190.06238	2.3
191.10680	8.5
191.14355	1.3
197.09595	6.6
200.04686	1.8
201.05495	2.5
205.08517	7.1
205.12317	9.1
215.07057	3.4
215.10669	36.4
215.14120	2.8
215.17973	3.7
218.05676	1.6
233.08061	17.9
233.11702	36.8
233.15282	13.1
233.19113	12.5
233.22513	1.8
245.78975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
53.03941	1.2
55.01857	2.2
55.05510	4.5
55.79116	0.6
56.96560	1.2
57.03424	1.1
57.07065	1.1
62.58080	0.5
65.03923	0.7
67.05502	10.9
69.03419	2.0
69.07065	3.7
69.27747	7.3
71.04974	2.6
74.06062	0.7
79.05488	15.1
81.03409	1.5
81.07051	13.5
83.04968	2.3
83.08624	1.4
84.08109	1.0
85.02895	0.8
85.06513	2.1
86.09704	1.3
88.35519	0.6
91.05478	18.8
93.06479	1.0
93.07039	15.8
95.04964	5.2
95.08054	0.9
95.08605	10.2
97.02883	0.8
97.06504	2.7
99.04451	2.6
99.08120	0.7
103.05455	1.8
105.07024	26.1
107.04963	5.3
107.08588	7.5
109.06517	3.7
109.10160	3.5
111.08064	1.8
115.05429	3.8
116.06251	1.5
117.06222	1.2
117.07007	13.4
119.04955	5.4
119.08572	12.5
121.06507	5.3
121.10123	9.8
123.04440	1.0
123.08039	1.8
123.11710	1.1
125.09627	1.0
128.06206	2.9
129.06987	4.0
130.07791	8.0
131.04927	1.2
131.08560	13.0
133.06459	3.2
133.10121	10.8
135.04407	0.9
135.08081	3.4
135.11668	6.2
136.06165	2.7
137.05930	1.9
137.09587	2.6
141.05606	0.6
141.06973	2.3
143.08565	6.3
144.05695	2.5
144.09331	1.4
145.06479	6.9
145.10114	43.2
147.08035	2.3
147.11671	8.8
149.05939	0.9
149.09625	3.5
149.13249	2.0
151.11119	1.1
154.07787	2.0
155.08548	1.7
157.06480	1.0
157.10115	1.7
158.07242	3.1
159.08070	3.5
159.11681	13.6
161.05988	1.8
161.09592	1.4
161.13255	2.0
163.07518	1.5
163.11172	13.3
169.10104	3.7
171.07941	0.7
171.11678	2.0
172.05165	4.3
172.08827	1.9
173.05986	2.4
173.09615	100.0
173.13084	5.1
174.06670	1.3
174.09967	3.1
175.07613	0.8
175.14842	1.4
176.07082	4.7
177.09125	1.3
177.12813	1.0
179.08560	1.4
182.07204	0.8
187.07494	1.7
187.11176	11.7
187.14804	4.0
189.12749	2.9
189.16385	2.5
191.10683	2.7
191.14308	1.1
197.09558	3.1
200.04640	2.0
201.05359	0.9
204.10246	1.2
205.06656	1.2
205.08571	3.1
205.10332	0.8
205.12231	2.1
205.15831	1.0
215.06996	0.9
215.10640	9.5
215.14247	1.5
215.17928	14.2
218.05664	1.5
233.07956	6.4
233.11650	10.5
233.15364	5.5
233.18976	17.5
234.12808	0.9
234.14938	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	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03939	1.5
54.51080	0.4
55.01864	1.8
55.05502	1.7
57.03419	0.6
65.03937	0.5
67.05504	2.8
68.28567	0.4
69.03419	1.1
69.07057	1.1
71.04971	1.1
71.58186	0.7
72.02505	0.5
74.06036	0.6
77.25308	0.5
79.05495	5.8
81.03420	0.8
81.07066	4.0
83.04996	0.6
85.02931	0.5
87.00838	0.8
91.05477	9.3
93.07041	5.3
95.04971	2.8
95.08615	1.8
97.06561	0.6
99.04444	1.9
103.05460	1.3
105.07031	16.7
105.69270	0.5
107.04958	5.0
107.08598	2.8
109.06528	2.4
115.05453	2.3
117.07015	8.0
117.52073	0.5
119.04961	2.9
119.08589	5.4
121.06512	5.1
121.10137	1.9
123.08076	0.9
127.07514	0.6
128.06213	2.4
129.06998	2.3
130.07788	7.6
131.04906	0.6
131.08580	5.8
133.06490	1.8
133.10143	1.8
135.04378	0.8
135.08044	1.8
135.11717	1.5
136.06160	2.3
137.05997	1.9
141.06985	1.9
143.08560	5.1
144.05704	1.1
144.09334	1.3
145.06493	3.7
145.10121	35.9
146.10464	1.2
147.08026	1.3
147.11673	4.4
149.09642	0.9
153.06944	1.0
154.07794	1.4
155.08536	2.0
157.10152	0.8
158.07266	3.5
159.06741	0.5
159.08067	2.1
159.11716	5.4
161.06020	0.8
162.06754	0.7
163.07549	0.7
163.11191	11.2
167.08640	0.8
169.10121	3.7
171.08089	0.9
172.05173	0.9
172.08887	1.2
173.09624	100.0
174.09924	1.4
175.07538	0.8
177.12848	0.7
179.08533	1.0
187.07541	0.7
187.11183	10.9
187.14781	0.6
189.09019	0.7
189.12733	2.7
191.10686	1.6
197.09601	2.1
200.04582	0.6
201.09097	0.5
205.12245	1.4
215.10670	7.5
215.17979	1.1
233.08075	2.7
233.11732	10.5
233.15379	1.9
233.19058	0.9
234.13330	0.9
250.14441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1703
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03935	0.4
55.01883	0.3
55.05509	12.0
56.05020	0.5
56.96575	0.4
57.05814	0.8
69.03420	1.0
69.47984	0.5
69.48392	2.0
70.06588	0.3
72.08152	100.0
73.08484	0.6
81.03429	0.8
85.02896	0.3
86.09704	5.4
91.05473	0.4
93.07059	0.3
117.62457	0.3
129.06969	0.3
132.10193	3.1
147.04404	0.3
185.16519	0.4
220.10236	0.3
231.10344	0.3
231.17059	1.4
250.37596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11917	23.1
69.77197	24.0
71.57242	28.2
96.30108	24.4
102.23331	22.9
119.01917	35.0
161.02972	28.2
233.06354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1133
Annotation	Asp-Val
Peak:m/z	Relative Intensity
53.03945	2.0
54.61030	0.9
55.01865	2.2
55.05512	15.4
56.05037	10.4
56.78382	0.8
56.96566	40.1
57.03439	11.3
57.07066	0.7
57.19837	0.8
58.06592	3.0
59.05012	2.0
60.04519	1.2
60.05659	1.0
61.02927	5.2
64.77761	0.8
65.50756	0.8
67.05497	1.0
69.03430	5.4
69.07069	6.2
70.02959	4.1
70.06596	7.3
70.39297	3.0
70.98115	1.8
71.04990	3.5
71.95242	1.1
72.04525	1.3
72.08155	100.0
72.93768	1.2
73.02911	5.9
73.06558	2.4
73.08481	1.1
74.02449	2.2
74.06080	52.7
75.04475	2.5
76.02224	1.1
79.05500	1.6
80.01381	1.3
81.03419	9.9
81.07034	1.7
82.06569	7.4
83.01385	0.9
83.04980	1.5
84.04508	13.3
84.08149	9.2
84.96024	2.6
85.02904	36.9
85.04024	4.0
85.06563	1.9
86.03227	1.4
86.06080	1.4
86.09703	21.8
87.04466	1.3
87.08105	1.9
88.03992	56.3
88.07638	2.1
88.99155	2.1
90.94827	1.0
91.05482	3.8
93.07057	0.9
95.01348	1.1
95.04984	2.4
96.08131	1.7
97.02902	4.8
98.02414	8.6
98.03681	2.8
98.06069	1.8
98.09669	1.0
98.97592	8.4
99.00799	1.3
99.04449	10.8
99.09211	11.7
100.07645	1.7
100.99133	1.5
101.00908	0.9
101.02416	1.0
101.06042	1.4
101.07137	1.4
102.05569	1.3
103.40229	1.0
104.10716	4.6
105.07040	1.1
107.00191	1.8
107.04961	1.5
109.02881	3.0
110.02409	9.9
110.07195	2.0
110.97575	2.0
111.04435	1.5
112.03948	1.5
113.06007	19.4
115.03996	1.1
116.07128	0.9
116.98623	10.6
117.01862	2.4
118.08656	38.8
119.00250	2.0
119.01917	4.1
119.08632	1.0
120.08101	0.8
121.01583	1.3
124.07591	1.8
127.01518	1.6
127.03921	15.8
127.08682	22.9
128.06248	0.9
128.07112	3.1
128.98611	4.4
129.10262	1.3
130.04990	5.5
130.06464	1.1
130.08742	1.2
131.00143	1.4
131.01926	0.9
131.03630	1.0
132.05736	1.0
132.10214	8.3
132.95847	1.3
133.01686	1.4
133.03479	2.8
134.99646	10.0
137.02844	1.2
141.05450	9.8
141.10239	2.9
142.08635	10.9
143.00140	1.7
144.06592	1.2
144.98047	1.6
145.01666	1.3
146.06039	1.1
146.99655	6.5
147.03259	1.4
149.01193	2.7
150.96924	2.4
152.07071	30.1
153.00731	1.7
155.04671	3.1
155.08215	2.0
158.99640	2.3
159.06531	20.5
161.01204	4.2
161.02971	2.3
162.99149	3.1
163.02783	3.0
163.04077	1.0
165.00694	4.8
165.04335	1.3
169.09660	4.4
170.08145	3.8
170.11740	1.7
172.97623	1.0
173.01250	1.0
173.02885	1.2
173.09218	11.3
175.00804	1.3
175.05974	2.5
177.00722	3.3
182.02545	1.4
183.01782	2.6
183.06520	1.7
187.09027	2.0
187.10771	34.2
187.14365	4.6
189.00706	2.1
190.98645	10.4
191.02556	2.1
193.01968	2.0
198.07626	15.0
205.03490	1.0
207.01721	1.9
208.99652	5.8
209.03081	1.1
215.04919	1.3
215.06958	1.1
215.10365	2.7
215.13921	2.6
216.12292	2.9
218.98079	1.3
219.01791	1.1
232.99677	1.0
233.05022	1.1
233.09827	1.3
233.11714	1.6
233.14970	6.6
233.18956	1.7
237.02866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2477
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
57.07074	17.6
58.06604	3.0
58.50309	0.5
62.05791	0.8
62.06090	11.4
67.05486	0.6
68.56216	0.5
69.46889	3.8
71.08627	7.7
79.34583	0.5
85.10157	2.8
120.04474	1.0
120.60663	0.5
129.07005	0.7
130.06526	0.9
148.03893	1.4
155.96953	0.5
156.08070	1.3
159.06795	1.3
166.06502	0.8
174.05608	0.6
183.06786	0.7
184.07578	8.6
200.07014	0.8
212.07108	8.4
212.23750	8.1
230.08163	6.3
230.24788	100.0
231.25166	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19165	0.5
53.03931	0.7
55.01856	0.8
55.05482	0.9
56.05043	2.5
56.85633	0.5
57.14990	0.5
69.03423	3.7
70.06579	0.9
71.58497	0.8
72.08134	1.3
74.02438	6.6
81.03401	1.8
82.46934	0.5
85.02890	1.1
87.00814	0.6
91.05481	2.1
97.02923	1.0
99.04443	0.7
102.05534	3.3
105.07019	0.6
109.02837	1.1
115.05447	1.6
117.05741	1.7
117.07042	2.8
118.06530	14.2
119.08559	1.5
124.35023	0.5
125.55016	0.5
127.03953	0.8
128.06171	0.8
129.06960	0.9
130.06517	37.8
131.06789	0.6
131.08524	1.1
132.08084	2.8
136.06187	0.8
140.08461	0.5
141.06940	0.8
142.06500	2.1
142.07677	0.8
143.07297	23.3
144.08076	12.7
145.06509	0.7
145.07550	0.7
146.06001	28.3
147.08047	0.6
147.71667	0.6
154.06522	9.0
155.07297	0.7
156.08107	3.0
157.08858	3.7
157.09973	0.7
158.09642	100.0
159.10075	1.6
160.07486	0.6
167.07294	1.8
168.08081	23.4
169.08788	1.2
170.06004	2.2
170.09634	2.1
172.07559	1.2
185.10776	2.0
188.07048	27.3
189.07339	0.5
196.07596	2.8
214.08611	16.2
231.06465	1.0
231.11476	6.3
231.13635	1.1
232.11870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
56.05013	0.5
56.96553	0.9
57.03417	0.5
58.06346	0.6
58.06601	8.0
59.07366	1.7
60.07880	0.7
60.08163	9.9
68.05016	1.3
70.04311	1.2
70.04709	0.7
70.06592	43.6
72.08151	2.9
81.07033	0.6
82.06564	0.7
84.04508	2.2
84.08149	4.8
85.08466	1.7
86.02441	0.9
86.06018	0.4
86.09698	2.0
96.08118	2.0
98.06029	0.9
98.97564	0.9
100.07639	0.4
101.00842	1.1
114.01894	0.5
114.05522	4.5
114.09165	2.9
115.08057	0.4
116.07099	1.1
116.98634	1.2
118.03501	0.9
119.01920	9.1
120.01992	0.6
124.07584	4.0
126.09116	1.1
127.98381	0.4
136.04523	0.7
137.02936	3.2
142.08632	34.7
143.06630	0.7
158.08118	1.0
166.25806	0.5
170.08083	3.1
183.11288	1.9
185.19844	0.5
187.00932	2.0
201.15889	0.5
205.02042	0.6
211.10776	0.8
215.00333	0.8
229.15469	100.0
230.15814	2.7
247.06783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01867	0.7
56.96559	4.6
57.03425	0.7
58.06595	7.4
59.07378	1.6
60.08159	8.7
62.15650	0.4
64.39176	0.3
68.05023	1.6
69.48280	2.1
69.48694	0.8
70.06588	47.4
71.06925	0.4
72.08160	1.4
84.04508	0.8
84.08141	1.3
86.09706	1.1
88.03996	0.5
96.08128	2.5
98.06051	1.2
98.97579	6.0
101.00909	0.5
108.31166	0.3
110.97633	0.5
112.07587	0.6
114.05525	5.1
114.09167	2.3
116.07093	0.9
116.98604	5.5
118.08618	0.4
119.01917	3.3
124.07584	3.9
126.09154	0.9
130.08661	0.6
134.99655	3.7
137.02957	1.1
142.08624	37.8
143.08972	0.4
144.99907	0.3
153.00725	0.5
158.04909	0.9
158.08110	2.6
160.06436	0.6
170.08138	2.5
176.06010	0.5
183.11282	0.5
187.00879	0.6
188.05930	0.6
189.04272	1.0
206.07086	0.9
207.05429	0.6
215.00385	0.4
224.08029	1.1
229.15459	100.0
230.07007	0.5
230.15738	1.5
248.08121	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01856	0.6
55.05510	10.0
57.03433	18.0
57.07072	2.4
57.91808	0.6
58.06588	0.8
59.04999	4.7
60.08158	3.3
61.08497	0.7
65.03943	1.6
67.05501	100.0
68.05852	0.8
69.03412	1.1
69.07059	2.5
69.35558	5.5
71.04986	3.7
77.46458	0.6
79.05495	2.5
81.07054	14.7
83.04987	1.2
83.08616	6.9
85.06539	2.9
91.05474	7.5
93.07048	3.9
95.08598	7.1
105.07049	2.6
107.08597	2.5
109.02908	0.7
109.10151	80.2
110.10506	1.4
111.08093	2.8
117.07008	3.8
119.08591	7.2
120.04457	0.9
121.10152	0.7
129.07031	1.3
130.06578	1.1
130.78426	0.6
131.08577	5.3
133.10170	1.5
137.09634	2.4
143.08633	0.8
145.10123	3.4
148.03969	1.8
155.08595	0.8
155.10707	2.2
156.08102	1.3
157.10172	1.1
159.06815	1.0
159.08105	0.6
159.11723	2.1
170.53433	0.6
173.09575	0.8
173.11739	18.1
173.13123	0.9
174.05544	1.6
184.07547	10.1
186.05481	0.7
187.14861	0.8
200.07133	2.0
201.16368	1.2
211.11177	0.9
212.07069	9.9
229.12251	2.0
229.14223	12.9
229.19424	4.2
229.27171	18.3
229.29387	1.1
230.08093	7.4
230.09912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
53.03959	0.7
55.01878	0.7
55.05510	10.2
57.03437	19.4
57.07076	1.8
59.05006	4.3
65.03944	2.5
65.13617	0.6
65.13949	0.6
67.05504	100.0
68.05832	1.1
69.03424	1.5
69.07063	2.9
69.86007	3.4
70.06577	0.8
71.04998	3.9
79.05489	2.3
81.07056	13.9
83.04983	1.3
83.08614	6.6
84.08128	0.7
85.06550	2.7
91.05492	7.9
93.07045	3.3
95.04994	0.9
95.08601	5.6
99.08132	0.6
105.07054	1.7
107.08598	2.1
109.10155	81.2
110.10492	1.0
111.08056	3.0
115.05445	1.2
117.07057	1.4
119.08583	7.9
128.06255	1.5
129.07050	1.7
131.08604	2.0
133.10161	0.8
134.04791	0.6
137.09644	3.3
141.06993	1.3
142.07767	0.7
143.08563	1.8
144.00763	0.6
145.06456	1.1
145.10135	1.4
147.19080	0.7
148.03949	1.5
153.06996	0.9
155.08595	2.0
155.10687	2.5
159.06850	1.0
159.08067	0.8
159.11696	1.2
168.09396	0.9
169.06453	1.0
169.10187	0.6
171.08034	0.9
172.10864	0.8
173.11749	19.2
183.11746	2.6
184.07539	6.0
185.45331	0.6
187.11258	1.4
193.10162	0.7
200.07111	0.8
201.12827	1.3
211.11301	1.4
212.07082	5.8
228.48926	0.6
229.08765	1.1
229.12234	3.9
229.14229	16.2
229.19571	2.1
230.08092	5.4
230.19040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
51.48908	0.8
53.03938	1.4
55.01868	1.6
55.05264	1.0
55.05509	10.7
57.03434	18.4
57.07062	1.7
59.04990	5.6
65.03935	2.9
67.05502	100.0
68.05040	0.7
68.05842	2.0
69.03429	3.1
69.07073	3.7
69.36995	7.6
70.06581	0.9
71.04996	4.0
79.05476	4.6
81.03410	1.3
81.07055	18.8
82.07381	1.2
83.04966	4.0
83.08614	8.8
85.02917	1.3
85.06539	2.9
86.09741	0.7
91.05473	9.6
92.04990	1.9
93.07041	5.1
95.04971	2.8
95.08604	7.9
96.08941	1.7
97.02917	1.1
98.20734	1.3
105.07047	5.1
107.08611	4.6
109.02886	3.2
109.06532	1.0
109.10152	81.4
110.10512	2.2
111.08095	3.1
115.05486	1.8
117.07037	2.5
119.08559	8.4
119.09235	0.8
120.04478	2.1
121.06511	1.6
121.10149	1.5
128.06224	3.8
129.06993	6.5
130.06543	3.7
131.07645	1.0
131.08560	5.3
132.04454	0.9
133.10159	1.8
137.09621	3.0
141.07010	1.8
142.07791	1.0
143.08583	3.0
145.06509	1.8
145.10097	4.8
146.06027	1.9
147.08113	1.5
147.11745	1.1
148.03931	9.5
153.07005	1.5
154.06572	1.0
154.07765	1.4
155.07440	1.0
155.08597	3.3
155.10602	3.9
156.08070	5.6
157.10182	1.2
158.06053	1.5
158.07271	0.9
159.06812	4.4
159.08080	2.2
159.11720	3.5
160.07597	1.5
166.06572	2.1
167.07373	0.9
167.08665	0.8
168.09395	2.4
169.10173	2.5
170.06049	2.8
171.08128	2.3
171.11688	1.2
172.08968	1.0
173.09740	2.0
173.11736	16.6
173.13176	1.5
174.05530	3.8
181.10107	1.1
183.06848	3.3
183.11739	3.4
184.07573	47.0
185.09697	1.0
185.13266	0.9
186.05615	0.9
187.11194	2.6
187.14876	0.9
188.07101	2.7
196.12509	2.2
200.07034	7.5
201.12799	2.0
201.16493	1.0
202.08678	3.1
211.11232	1.8
211.14917	2.8
212.07057	44.4
229.08784	0.9
229.12254	7.1
229.14394	13.8
229.16045	4.0
229.19618	3.3
230.05800	1.8
230.08110	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	228.2686
Annotation	n-Pentadecylamine
Peak:m/z	Relative Intensity
51.52549	0.2
55.05515	0.6
56.01392	0.2
57.03446	0.3
57.06663	0.4
57.07075	6.4
58.06590	1.9
58.06823	0.1
60.08163	27.0
60.46807	0.2
67.05504	1.2
69.38715	1.2
69.39124	0.3
71.08631	2.6
76.01059	0.2
78.83480	0.2
79.05492	0.2
81.07064	0.2
83.08609	0.2
85.06549	0.2
85.10184	0.8
98.20789	0.4
107.08589	0.2
109.10164	1.2
119.08500	0.3
126.09935	0.2
127.35673	0.2
127.39739	0.2
173.11723	0.2
175.28841	0.2
176.52655	0.2
176.96428	0.2
180.11952	0.2
197.64449	0.2
208.36246	0.2
228.26862	100.0
229.19522	0.3
229.27161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05503	7.6
57.03431	17.8
57.07064	1.8
58.67701	0.9
59.04986	3.8
65.03934	1.5
67.05499	100.0
69.07063	2.1
69.93330	1.8
69.93752	4.1
70.06570	1.4
71.04977	3.1
73.47420	1.3
77.71358	1.0
79.05489	1.4
80.73099	0.9
81.07049	12.1
83.08591	6.6
85.06542	2.2
87.31527	1.0
91.05463	5.6
93.07030	2.2
95.08612	5.4
107.08593	2.9
109.10153	79.1
110.10502	1.1
111.08080	3.9
114.18068	1.1
119.08598	5.0
137.09602	2.9
155.10664	2.0
155.33022	1.0
173.11736	18.5
229.14279	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03938	7.0
55.00831	2.5
55.01863	6.1
55.05508	32.6
55.08252	2.4
56.96567	2.6
57.03430	6.1
57.07069	11.7
67.01855	5.5
67.05173	2.8
67.05503	33.4
69.03432	37.2
69.07066	45.7
71.02618	3.9
71.02945	3.6
71.04995	40.7
73.63800	2.5
79.05492	49.3
80.16309	2.6
81.03412	13.1
81.07055	65.5
83.04986	27.7
83.08607	23.3
84.08131	5.0
85.06543	9.5
88.33143	2.4
91.04976	3.0
91.05487	23.9
93.07042	54.6
95.04973	26.0
95.07990	3.0
95.08602	48.4
97.06526	16.0
97.10175	23.1
99.04469	13.6
99.08092	11.9
100.07603	7.2
100.11269	6.6
103.05481	3.1
105.04529	2.8
105.07027	25.6
107.04935	8.2
107.08588	100.0
109.06507	20.3
109.10148	42.3
111.04439	7.7
111.08096	17.7
115.07563	6.6
117.07018	7.7
119.08568	10.3
121.06525	20.7
121.10138	34.3
123.04391	2.9
123.08047	13.2
123.11728	13.3
125.06010	3.9
125.09612	22.3
129.09102	4.4
131.08603	15.9
133.10129	19.6
135.08041	28.2
135.11705	12.1
137.05922	2.8
137.09599	10.3
139.07555	4.6
139.11201	4.0
140.04784	2.7
143.08559	4.0
143.10648	7.7
145.10172	4.4
147.11699	13.1
148.05287	2.8
149.05963	5.4
149.09608	15.3
149.13232	17.7
151.11171	23.3
153.09099	10.7
155.07010	2.2
158.10898	4.6
163.14804	19.9
165.12744	13.4
165.40117	2.5
167.07036	24.4
173.13264	25.9
177.05440	9.6
180.07747	3.0
183.13809	3.5
185.04520	4.4
189.15321	2.7
191.14304	26.0
196.56107	7.0
202.15875	2.8
209.08070	24.8
209.15334	13.8
227.07007	3.1
227.10423	2.7
227.14503	3.8
227.16313	15.0
244.02733	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.4
55.01860	4.3
55.05505	25.6
56.96545	4.0
58.06584	4.8
58.34427	3.0
59.04984	4.2
59.92579	3.5
67.05492	10.9
69.03429	40.9
69.07058	13.9
69.76128	19.9
71.04996	15.4
72.04477	3.2
74.52938	3.1
79.05495	12.2
81.07042	18.8
82.06556	6.8
83.04974	27.7
83.08613	10.1
85.06531	5.2
86.09702	4.0
90.83184	2.9
91.05472	12.7
93.07041	26.0
95.04961	48.7
95.08593	15.8
97.06518	10.9
97.10150	9.5
98.20859	3.6
98.97571	4.3
99.04474	7.3
99.08083	17.2
100.07614	55.1
100.11254	27.3
103.26307	3.2
105.03384	33.7
105.07044	9.0
107.08571	34.2
109.06488	8.9
109.10145	15.4
109.26643	2.8
111.04400	4.6
111.08068	11.6
115.07533	4.3
119.08603	8.4
121.06515	6.1
121.10144	20.2
123.11677	6.6
125.05930	3.3
125.09624	100.0
127.07565	5.9
131.08588	7.2
133.10098	18.0
135.08035	9.7
137.05966	3.4
137.09647	3.9
139.11186	7.2
141.11462	5.9
147.11710	3.7
149.09648	19.2
149.13226	9.7
151.11169	17.0
153.09059	21.7
154.09789	5.9
163.14835	10.3
163.64304	3.1
167.07042	19.5
167.10587	3.7
171.10141	7.2
173.13231	13.1
182.15300	4.9
186.99187	7.1
191.14354	18.0
199.17986	3.7
209.08061	9.3
209.15291	25.3
213.17787	6.5
219.01752	3.7
227.16249	15.8
227.21172	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03942	8.4
55.01860	4.3
55.05505	25.6
56.96545	4.0
58.06584	4.8
58.34427	3.0
59.04984	4.2
59.92579	3.5
67.05492	10.9
69.03429	40.9
69.07058	13.9
69.76128	19.9
71.04996	15.4
72.04477	3.2
74.52938	3.1
79.05495	12.2
81.07042	18.8
82.06556	6.8
83.04974	27.7
83.08613	10.1
85.06531	5.2
86.09702	4.0
90.83184	2.9
91.05472	12.7
93.07041	26.0
95.04961	48.7
95.08593	15.8
97.06518	10.9
97.10150	9.5
98.20859	3.6
98.97571	4.3
99.04474	7.3
99.08083	17.2
100.07614	55.1
100.11254	27.3
103.26307	3.2
105.03384	33.7
105.07044	9.0
107.08571	34.2
109.06488	8.9
109.10145	15.4
109.26643	2.8
111.04400	4.6
111.08068	11.6
115.07533	4.3
119.08603	8.4
121.06515	6.1
121.10144	20.2
123.11677	6.6
125.05930	3.3
125.09624	100.0
127.07565	5.9
131.08588	7.2
133.10098	18.0
135.08035	9.7
137.05966	3.4
137.09647	3.9
139.11186	7.2
141.11462	5.9
147.11710	3.7
149.09648	19.2
149.13226	9.7
151.11169	17.0
153.09059	21.7
154.09789	5.9
163.14835	10.3
163.64304	3.1
167.07042	19.5
167.10587	3.7
171.10141	7.2
173.13231	13.1
182.15300	4.9
186.99187	7.1
191.14354	18.0
199.17986	3.7
209.08061	9.3
209.15291	25.3
213.17787	6.5
219.01752	3.7
227.16249	15.8
227.21172	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	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	7.0
55.05508	63.4
57.03431	12.2
67.05500	60.0
67.43183	4.6
69.07066	38.6
71.04975	9.5
74.83174	4.7
76.50441	5.5
79.05496	36.5
81.07055	70.1
83.04489	7.4
83.04972	100.0
83.08607	27.3
85.06531	6.7
88.52566	4.8
91.03172	5.1
91.05476	13.0
93.07047	54.6
95.08597	30.4
97.06541	12.5
97.10150	20.4
98.21517	11.3
99.08100	6.9
100.11195	8.1
105.07021	8.3
107.08619	34.4
109.10116	10.2
111.08074	13.9
117.06983	13.0
121.10123	22.1
125.09604	17.5
128.06158	5.4
129.06860	7.2
131.08536	10.8
133.10123	14.5
135.08075	8.3
135.11690	17.5
143.08566	8.0
149.13283	25.8
157.10117	8.9
159.11635	20.4
163.14848	9.9
171.11641	10.3
173.13161	5.8
176.50331	5.1
177.12668	5.7
184.69054	5.7
189.11267	8.8
209.15378	9.0
227.10776	6.2
227.12740	21.1
227.18031	11.9
229.54568	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03927	4.4
55.01860	3.8
55.05511	22.3
56.05034	4.6
57.03429	11.9
57.07065	3.2
67.05503	77.4
69.07070	23.8
70.11806	11.1
71.04977	11.1
79.05063	4.3
79.05495	45.9
81.07057	100.0
83.04964	8.5
83.08604	17.6
85.06525	6.0
88.01288	2.8
91.05497	20.6
93.07046	58.3
95.04964	7.1
95.08605	21.2
97.06522	13.7
97.10170	12.3
99.08110	3.5
100.11252	2.8
105.07026	6.2
107.08591	32.9
109.06516	3.1
109.10174	4.3
111.08080	7.4
117.06985	13.6
121.10188	14.1
125.09623	9.5
129.06947	3.3
131.08577	13.0
133.10129	7.2
135.08086	3.8
135.11707	13.7
149.13258	45.0
159.11679	24.3
171.11664	6.0
172.90611	3.0
177.12778	7.8
189.11255	3.2
195.13788	8.5
227.12778	8.7
227.18080	8.3
227.22055	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	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03940	1.9
54.99451	1.4
55.01863	3.2
55.05498	5.9
57.03438	2.9
57.07078	7.6
65.03938	2.6
67.05501	24.3
69.03413	3.1
69.07059	7.5
71.04993	16.4
71.09616	4.7
79.05489	31.9
80.18565	1.6
81.07055	8.3
81.69971	1.7
83.04969	8.8
85.06541	100.0
91.05475	23.9
93.07040	24.2
95.04968	27.7
95.08611	2.9
97.06538	7.1
99.04456	2.9
99.08088	5.2
105.07029	25.2
107.04953	9.4
107.08590	30.1
109.06533	7.3
111.04452	14.9
115.10273	1.4
117.07008	6.4
119.08562	19.9
121.06486	16.9
121.10145	24.0
123.04462	3.5
123.08063	3.2
125.05975	7.6
127.07541	2.2
128.06178	1.9
129.07010	8.3
130.07747	2.5
131.08565	73.1
133.10121	7.2
135.08098	1.8
135.11700	5.9
137.06003	1.7
137.09610	7.1
140.20042	1.6
145.06494	1.9
145.10117	27.4
147.08028	4.4
147.11690	2.0
149.05974	2.9
149.09612	72.6
149.96457	1.8
151.11124	1.8
153.05469	4.0
153.09113	3.5
155.07040	3.9
163.07507	4.2
163.11179	28.7
165.09135	12.8
167.07065	8.0
167.09323	2.6
167.10680	36.0
173.09532	8.8
191.10658	50.6
209.11713	41.5
227.12810	12.0
227.16400	2.0
235.96913	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Chloriolide
Peak:m/z	Relative Intensity
51.72752	8.7
53.03959	13.8
55.01873	13.0
55.05516	63.6
57.03437	11.5
67.05498	34.7
69.03429	34.4
69.07081	36.3
70.28758	37.5
79.05487	54.9
81.03431	18.6
81.07063	48.8
83.04999	19.4
83.08607	20.3
84.08132	13.8
85.06550	11.2
91.05480	23.0
93.07025	55.8
95.04965	8.8
95.08591	55.7
97.06528	16.8
97.10149	20.0
99.04423	12.4
100.07616	18.6
100.11208	13.6
103.05437	10.7
105.03385	10.3
107.04976	24.0
107.08599	41.4
117.07024	22.9
119.08592	24.3
121.06525	22.9
121.10126	15.2
129.06932	12.1
135.11685	42.2
141.17836	9.1
143.08557	21.4
145.10173	40.6
155.08519	11.8
157.10094	20.7
163.11137	68.5
167.07076	100.0
167.08495	16.2
169.06537	11.7
171.11705	24.4
185.13287	13.5
193.99658	10.3
196.64221	9.3
199.11342	11.9
227.10550	44.3
227.12837	51.4
227.17931	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	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03940	1.2
55.01866	3.1
55.05507	4.6
56.05015	2.1
56.96562	4.7
57.03428	1.3
57.07068	2.1
60.78170	0.6
62.42527	0.6
65.03931	1.0
65.84870	0.6
66.51192	0.6
67.05482	1.4
68.05012	1.5
69.03429	1.9
69.07071	5.7
70.06590	18.2
71.01315	0.8
71.08643	0.7
71.57027	1.2
72.08160	1.2
73.02908	1.3
77.03952	0.6
78.04710	4.0
79.05488	3.9
81.03407	1.1
81.07038	2.0
83.04942	1.0
83.06087	1.0
83.08611	2.0
84.04499	22.8
84.08139	6.6
84.94850	0.6
85.02895	2.5
86.09704	1.0
88.03951	0.7
89.03905	1.3
91.05477	8.5
93.07037	4.1
94.04182	0.7
94.06515	0.8
95.04980	4.2
96.08122	1.5
97.02883	1.8
97.04013	0.6
97.10149	1.9
98.09688	3.1
98.97543	0.9
100.11238	0.9
103.05458	8.1
105.03346	1.1
105.04500	0.9
106.04157	2.4
107.04938	5.0
109.02869	1.5
109.06505	1.7
110.05996	1.0
110.07155	1.4
111.04438	0.8
111.05522	1.0
112.99990	1.4
114.09071	0.6
114.10252	0.6
116.07084	17.4
116.98592	1.6
117.03354	0.7
119.01905	0.8
119.04926	2.4
120.05640	0.8
121.05679	0.8
121.06506	13.3
122.03635	1.2
123.04420	10.2
124.05219	3.8
125.05916	1.0
126.05518	0.7
127.03072	0.6
127.03933	0.7
129.90800	0.6
131.04929	6.9
133.02812	1.7
134.03621	2.4
134.05957	0.8
134.99605	1.6
135.04405	3.4
137.05963	10.1
138.06377	0.6
139.03909	1.3
139.07593	0.7
140.04718	3.2
140.07069	0.9
143.08662	0.6
145.02780	0.7
146.07610	2.1
147.04379	1.7
148.05193	1.4
149.04770	0.9
149.05974	15.8
149.07126	1.1
151.03915	2.1
152.04671	2.4
152.35747	0.7
153.05461	0.8
154.02422	0.6
154.04942	0.6
155.07007	1.6
156.01210	0.7
156.03358	1.3
159.04434	4.5
163.03899	1.6
165.05446	1.3
167.07031	100.0
168.07364	1.9
173.01234	1.0
174.04408	5.1
176.04622	0.7
177.05467	26.1
180.07826	0.8
181.04944	2.9
181.09731	2.5
184.09724	0.7
186.04358	2.9
188.07591	0.9
192.05420	1.9
194.05687	0.9
204.05440	5.8
209.07857	4.7
216.37245	0.7
227.04062	0.8
227.06911	0.7
227.10416	3.9
227.13896	1.7
227.17836	0.8
227.20059	0.8
228.03256	1.3
228.05276	0.7
246.06386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
51.60545	0.4
51.71928	0.3
53.03937	1.8
54.34182	0.3
55.01867	2.6
55.05509	2.7
55.98228	0.4
56.05021	1.5
56.96564	14.0
57.03440	3.1
57.07067	0.9
60.08165	0.6
61.02930	3.3
65.03938	1.3
67.05491	1.1
68.05036	2.4
69.03430	2.7
69.07059	2.7
70.06590	3.9
70.98107	1.1
71.01352	1.1
71.04984	1.2
71.57352	0.7
71.95281	0.5
72.04488	0.5
72.08148	1.6
73.02926	3.1
74.06081	0.4
77.03918	0.5
78.04710	4.9
79.05489	3.4
80.05013	0.5
81.03418	2.2
81.04520	0.5
81.07044	1.2
82.06582	1.5
83.04967	0.5
83.06123	2.0
83.06551	0.4
83.08611	1.3
84.04492	2.9
84.08143	21.7
84.96020	0.8
85.02905	3.5
85.08467	0.5
86.03662	0.8
86.06061	1.6
86.09704	1.3
87.04456	0.5
88.99161	1.3
89.00789	0.5
89.03887	1.8
91.05472	8.6
93.03374	0.5
93.07033	3.7
94.04195	0.9
95.04987	4.0
95.06065	3.3
95.08596	0.6
96.04442	0.6
96.05759	0.4
96.08094	0.5
97.02879	1.8
97.06496	0.5
97.07611	0.5
97.10149	0.8
97.99203	0.4
98.01285	0.7
98.06097	0.7
98.09714	0.6
98.97577	4.6
99.02075	0.5
99.04440	0.8
99.05574	0.5
100.01059	0.4
100.05216	0.5
100.11208	0.8
101.00852	0.5
102.05521	0.4
103.05467	6.9
105.03391	0.9
106.04162	2.5
107.00197	0.8
107.04951	4.5
108.04485	0.6
109.02862	1.5
109.06504	1.3
110.07156	2.8
110.97591	0.5
111.04483	0.8
111.05554	0.7
112.03970	0.5
112.07578	0.6
112.08707	1.3
112.99997	1.2
113.01765	0.4
114.05543	0.8
114.29339	0.4
116.07081	1.7
116.98613	6.1
117.01872	2.1
117.03361	1.5
118.01035	0.9
118.03506	0.4
119.01893	5.6
119.04941	2.1
120.00749	0.5
120.05690	0.7
121.06509	13.3
122.03644	1.8
123.04420	10.8
124.05235	3.9
124.07602	0.5
125.02471	0.4
125.05962	0.7
126.00733	0.8
126.07446	0.5
127.01554	0.9
127.02489	0.5
127.03909	0.9
128.02229	0.8
128.98586	2.2
129.00272	0.6
130.08719	0.5
131.00191	0.9
131.01894	1.3
131.04924	7.2
132.00705	0.7
133.01692	0.7
133.02710	0.8
134.03644	3.0
134.06012	0.8
134.99660	6.3
135.01219	0.5
135.04436	2.0
136.07600	0.6
137.02943	1.4
137.05969	10.8
138.03090	0.5
138.09151	0.6
140.04712	2.8
140.06993	0.8
141.01247	0.9
142.01801	0.5
142.07259	0.6
145.02788	0.7
146.07658	1.1
146.99678	2.4
147.01357	0.5
147.04384	0.7
148.03958	0.6
148.05186	1.7
149.01199	0.8
149.05974	15.0
149.06952	0.5
150.09123	0.6
151.02625	0.6
151.03796	2.0
152.04674	1.9
152.07031	1.4
153.00703	1.4
153.05409	0.8
155.04648	0.5
155.07040	1.1
156.03386	1.5
156.07680	0.8
157.02525	2.1
158.01260	0.6
158.03178	0.9
158.08163	0.6
158.99652	0.6
159.04404	3.7
160.97527	0.5
161.01143	0.7
161.04645	0.5
162.03107	0.7
163.02588	0.5
163.03926	1.7
164.07054	0.6
165.00728	1.5
165.04201	0.7
165.05482	1.2
166.06232	0.7
167.03873	1.8
167.07036	100.0
168.01796	1.3
168.07443	2.5
172.95262	0.7
174.04385	3.9
174.99222	0.5
175.00827	0.9
175.02625	0.5
176.04668	1.3
176.54288	0.5
177.00687	1.1
177.02299	1.1
177.05467	24.3
181.08574	0.9
181.13371	1.1
182.09206	0.5
183.01736	0.4
184.02917	0.5
185.01103	0.6
185.09221	0.9
186.04388	3.0
188.06029	0.6
189.00731	0.6
190.98660	1.9
191.02251	0.5
191.07060	1.5
192.05382	0.8
194.05746	0.8
200.05942	0.6
201.00536	0.6
201.05908	0.5
203.00285	0.5
203.02240	0.7
203.04060	0.8
204.05403	3.9
205.00229	0.8
207.01674	0.4
208.99690	0.7
209.08011	5.2
209.09911	0.5
210.11270	0.5
210.13171	1.5
211.14372	0.7
219.01775	0.7
222.02820	0.4
222.06538	1.0
227.06955	0.9
227.10455	2.2
227.13812	4.9
227.15677	0.6
228.05386	1.8
228.13490	0.8
228.17062	2.2
232.09688	0.5
232.99577	0.6
246.06438	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	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03934	2.4
55.01866	7.2
55.05304	0.5
55.05506	5.5
56.96542	1.7
57.03420	1.7
57.07057	1.9
58.06575	0.7
61.02920	0.6
64.36629	0.5
65.03606	0.8
65.03937	9.4
67.05498	9.1
69.03408	2.5
69.07062	4.2
69.64114	4.1
70.06552	1.0
71.01317	0.7
71.04984	4.0
72.08152	1.3
73.02914	35.6
74.09674	0.6
75.45430	0.5
79.05105	0.7
79.05486	6.1
81.03391	1.4
81.07045	5.0
82.04210	2.7
83.04958	2.4
83.08606	2.0
83.53202	0.5
84.04478	0.7
84.08115	2.4
85.02892	5.1
85.06537	11.9
86.09702	2.9
91.03937	1.5
91.05475	7.0
93.03392	2.0
93.07043	7.0
95.04961	14.4
95.08596	2.4
96.04491	1.7
97.02873	1.4
97.04776	0.7
97.06526	5.4
97.10139	1.0
98.97563	0.6
99.04440	0.9
99.08095	3.0
100.07611	0.7
100.11255	10.6
103.05457	2.9
105.03375	2.0
105.04452	0.6
105.07023	5.4
107.04939	3.2
107.08597	4.8
108.02090	2.1
109.02843	1.2
109.04910	0.5
109.06518	2.1
109.10117	0.8
110.03658	4.5
110.07183	0.9
111.04433	4.6
111.08076	1.1
111.23661	0.6
115.05407	0.9
115.07520	1.2
116.07063	0.8
117.07021	3.1
119.04887	0.7
119.08564	2.9
121.06506	4.8
121.10162	5.0
123.00768	0.8
123.04423	10.7
123.08043	0.7
123.11724	1.1
125.02325	3.9
125.05976	4.0
125.09628	1.7
126.05589	0.6
127.07551	0.9
129.07002	1.3
131.04901	1.1
131.08571	7.6
133.10143	2.7
135.04388	1.0
135.07999	0.8
135.11687	1.2
137.02252	0.7
137.05977	0.9
137.09605	1.0
138.03088	2.3
139.11182	0.8
140.04675	52.8
141.05019	0.7
141.07042	0.6
141.11520	0.7
142.02536	2.9
143.08528	1.1
145.06430	0.7
145.10124	3.4
146.07634	0.7
147.07996	0.9
148.05145	1.0
149.05959	2.1
149.09610	8.1
149.13240	0.6
150.47278	0.6
152.04575	0.6
153.05460	2.1
153.09125	1.6
154.06505	0.9
155.07022	46.8
156.07344	1.2
163.11179	2.2
163.14774	1.0
165.07010	0.7
165.09119	1.7
166.06294	1.1
166.07855	0.8
167.07019	10.1
167.10629	4.2
171.06544	7.2
171.07938	0.7
173.08080	5.3
173.09538	1.2
173.13162	1.0
177.05438	2.0
179.07039	2.2
181.04945	100.0
181.08490	4.0
182.05315	2.3
183.06358	0.9
191.10620	6.1
195.06516	1.2
199.08728	2.7
199.11191	0.6
209.08092	21.0
209.09567	0.8
209.11545	4.9
210.11253	0.7
210.14792	0.7
210.18616	0.8
227.09117	8.4
227.12770	1.4
227.14552	0.7
227.16341	0.7
227.17838	1.1
232.09697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0815
Annotation	Harman-3-carboxylic acid
Peak:m/z	Relative Intensity
51.73179	0.8
55.05500	3.8
56.96569	1.7
57.07059	1.5
69.03432	1.1
69.07070	5.8
70.06599	1.5
71.57459	1.3
76.67004	1.0
79.05496	1.2
79.32520	0.8
81.03448	1.0
81.07040	1.3
83.04996	1.4
83.06102	1.2
83.08619	1.8
84.08128	1.9
86.09695	2.8
91.05478	1.6
93.07006	1.4
95.04953	1.9
95.08619	1.5
97.10184	2.3
100.11250	1.3
103.05483	1.1
107.04906	1.3
107.08633	1.2
111.05553	1.8
115.05472	2.0
116.98605	0.9
117.05762	44.6
120.25935	1.0
121.06547	2.0
122.09647	2.0
123.04399	1.8
128.06224	1.5
129.07024	5.3
130.06523	48.3
134.99622	1.1
137.05989	1.1
141.05724	2.4
142.06541	0.9
143.07309	27.4
146.07594	1.0
148.07585	2.7
149.05934	1.0
154.06488	12.2
155.07158	1.4
156.08070	19.3
156.09270	1.3
157.07605	19.2
158.05983	11.4
159.06781	1.0
163.03876	0.9
167.07080	8.8
169.05217	5.3
177.05466	1.9
181.05013	1.2
181.07588	9.2
182.05994	4.0
182.08449	4.6
183.09190	11.0
185.07103	100.0
187.06303	2.3
198.81032	0.9
199.08719	1.4
200.07146	2.3
205.52898	1.0
209.07059	7.0
210.05386	1.1
227.03780	1.1
227.08167	25.0
227.10332	2.4
227.13972	1.1
247.01117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	MKN-003A
Peak:m/z	Relative Intensity
52.62614	1.5
53.03931	1.9
53.43074	1.5
54.62122	1.3
55.01840	1.7
55.05508	6.7
57.07057	3.9
59.05001	7.5
65.03941	1.9
66.73618	1.4
67.05505	21.3
69.03427	3.4
69.07061	2.5
69.59358	11.3
71.04987	2.5
79.05482	5.0
81.07052	10.6
83.04981	7.8
85.02924	6.2
85.06558	10.4
86.09721	1.6
91.05469	9.9
93.07047	11.9
95.04973	4.4
95.08607	100.0
97.06548	3.4
97.10172	2.7
98.20779	2.8
99.04456	7.2
101.06037	2.6
105.03408	2.7
105.07041	9.6
107.04968	2.6
107.08585	8.1
109.06520	8.9
109.10138	4.0
111.04440	1.9
113.06018	7.7
119.04958	4.3
119.08568	14.5
121.06501	2.0
121.10146	9.9
123.04440	1.3
123.08070	38.9
123.11678	7.7
123.82104	1.4
125.06005	2.5
125.09634	2.2
129.05502	2.1
131.08539	1.9
133.10176	2.9
135.11693	8.9
137.05986	2.4
137.09647	3.8
141.09117	5.4
145.10130	2.3
147.04420	3.5
147.08003	2.0
147.11714	5.1
149.09596	15.7
161.13264	5.9
163.11218	4.7
165.09097	2.2
165.12759	4.9
175.03929	4.7
179.14317	4.3
180.04140	1.8
189.12822	4.9
193.04951	1.7
207.06564	5.7
207.13832	14.0
225.14713	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	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03926	1.2
54.32808	0.6
55.01860	1.7
55.05302	0.7
55.05508	7.9
56.96535	0.8
57.03444	1.1
57.07072	7.1
59.04992	2.7
65.03938	1.7
67.05504	7.9
68.99796	0.8
69.03420	4.1
69.07061	10.2
71.01353	3.5
71.04990	50.3
71.08626	0.9
71.57676	0.8
71.58088	0.7
77.96668	0.6
79.05480	8.6
81.03417	4.4
81.07053	16.0
83.04973	5.9
83.08620	7.3
84.08135	2.2
85.02895	2.6
85.06542	3.2
87.04452	0.8
89.03904	1.3
91.05478	19.7
93.07039	5.7
95.04961	5.2
95.08608	15.4
97.02877	0.8
97.06525	13.7
97.10127	1.2
98.09692	0.8
99.04449	100.0
99.08087	2.0
100.07648	1.3
101.02280	0.6
103.05470	1.2
105.03384	2.8
105.07009	7.0
107.04952	4.2
107.08591	41.8
109.02836	1.1
109.06509	25.2
109.10149	5.0
111.04453	1.7
111.08092	2.8
111.11716	2.6
112.07611	1.0
112.11267	1.3
113.02385	1.0
113.06011	1.1
113.09629	6.0
118.04160	1.8
119.04945	13.2
119.08571	6.6
120.05611	1.3
121.06487	2.1
121.10138	14.4
122.03639	0.9
123.04441	1.6
123.08067	19.8
123.10816	1.2
123.11697	21.4
125.05994	2.1
125.09625	8.5
126.09153	2.4
127.07560	1.8
131.08574	2.5
132.02119	0.7
133.10117	2.2
135.04361	0.9
135.08084	1.5
135.11668	2.2
137.05956	2.2
137.09604	2.6
137.13257	4.4
139.07503	1.1
139.11188	3.5
140.04659	0.8
140.28247	0.7
141.09091	1.5
141.12741	2.8
143.08556	1.0
147.04404	11.1
147.08223	0.9
147.11681	9.4
149.02367	1.8
149.09607	11.1
151.07544	2.5
151.11159	2.1
153.05516	0.7
153.07019	1.2
153.12753	1.3
154.07744	1.3
154.12251	12.1
155.08591	1.0
155.10562	1.3
156.09300	1.2
161.13280	1.9
163.03955	1.7
163.11177	2.2
164.04662	1.3
165.01872	0.9
165.05492	1.4
165.09099	1.2
165.12733	11.4
167.07127	3.6
167.08386	0.9
167.10663	16.9
169.10181	1.4
175.03903	18.0
179.07002	1.7
179.08687	0.9
179.14365	1.7
180.04176	3.6
181.04935	1.0
181.06445	1.2
182.07195	1.0
183.13797	35.7
184.14050	1.0
189.12758	4.9
192.02731	0.7
192.04141	4.8
193.04961	2.5
195.06483	1.1
195.08089	0.7
197.09781	1.0
197.13235	0.7
207.06514	19.2
207.08382	1.5
207.13753	6.7
208.16994	1.2
225.07391	1.3
225.09178	2.3
225.12758	1.1
225.14758	9.8
225.19579	7.1
227.04164	1.2
234.77315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05502	2.7
57.07070	2.2
65.03947	1.1
66.61082	0.9
67.05513	4.6
67.84738	1.0
69.03431	2.2
69.07070	2.2
69.80227	0.9
70.74067	1.8
70.74399	1.2
71.05004	2.3
79.05489	4.2
81.07059	21.6
83.04981	2.2
85.02901	100.0
91.05480	9.8
93.07059	3.7
95.04958	3.0
95.08598	6.8
97.06553	2.0
98.97614	1.1
99.04463	2.0
105.03395	1.2
105.07012	4.8
107.04968	1.7
107.08588	5.7
109.06506	2.2
109.10148	9.2
119.04936	7.4
119.08564	4.2
121.10148	9.1
123.08108	1.8
123.11702	59.0
125.05984	8.0
125.09641	2.2
129.06985	1.1
131.08568	1.6
135.04433	1.0
137.05942	1.6
145.10072	1.2
147.04422	5.2
147.08025	1.7
147.11690	5.0
149.09612	8.6
151.07545	3.0
161.13278	1.4
163.11188	2.0
165.05455	1.3
165.12755	1.0
167.10663	2.4
175.03896	9.4
180.04123	1.1
183.11705	1.7
189.12784	3.5
192.04193	3.0
198.49341	1.0
207.06490	9.1
207.10196	1.5
207.13858	11.6
225.09261	1.3
225.14856	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02398	1.0
53.03933	2.3
55.01870	1.9
55.05506	3.7
56.96547	2.3
57.03416	1.3
59.55579	0.9
65.03944	6.6
66.24464	0.9
67.05511	5.2
69.03420	3.5
69.07053	3.6
69.60684	4.9
69.61090	1.7
71.01369	1.2
71.04986	3.8
71.08611	0.9
75.74256	1.0
77.03942	2.2
79.05508	5.4
79.83260	0.9
81.03423	2.7
81.07053	5.3
83.04978	4.9
83.08627	1.1
84.08126	1.3
85.02898	2.4
85.06567	1.2
89.03906	2.8
91.05479	77.6
93.03410	2.0
93.07036	3.1
95.04452	1.0
95.04968	6.4
95.08620	5.1
96.26790	0.9
97.02844	2.1
97.06524	2.7
98.40292	0.9
99.04473	2.9
102.04601	1.0
103.05466	3.2
105.03407	6.4
105.07024	3.3
106.37558	1.0
107.04972	6.0
107.08577	2.7
109.06516	3.8
109.10130	2.6
111.04457	1.4
111.08143	1.1
113.06031	1.3
117.03412	1.3
118.04164	9.2
119.04943	67.1
119.08620	2.1
121.02842	2.2
121.06478	2.2
121.10170	2.3
122.03680	1.3
123.04470	5.0
123.08070	2.2
123.11680	2.1
129.03299	1.1
131.04893	1.2
132.02086	4.9
133.02824	2.9
133.06477	1.3
133.10139	1.5
135.04460	4.5
135.08008	1.0
135.58894	1.0
136.05165	3.1
137.05980	3.7
141.07092	1.3
145.02911	1.3
146.03581	2.7
147.04408	63.9
147.11743	1.3
148.04802	1.1
149.02335	10.9
150.03133	1.7
151.07571	1.5
153.05457	2.2
154.07753	1.1
154.12273	1.5
157.03973	4.5
162.03210	1.1
163.03932	5.2
163.11191	1.3
164.04681	6.0
165.01849	1.7
165.05426	3.0
165.07114	1.0
167.07033	5.1
169.06425	1.0
169.10223	2.2
174.03156	1.9
175.03908	97.0
176.04314	1.8
177.01860	4.1
178.50470	1.0
179.07024	6.7
180.04146	5.2
182.07216	1.3
183.06485	1.7
183.11681	1.6
192.04184	30.2
193.04929	3.9
195.06476	1.7
197.01259	2.7
197.05946	1.2
202.03793	1.5
207.06529	100.0
207.13901	1.6
207.15686	1.4
207.17520	1.2
208.06813	2.4
210.05125	1.3
225.07526	2.6
225.09277	2.5
225.12759	1.3
225.14717	1.9
225.16566	2.4
225.19679	1.4
227.01965	1.2
227.04059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03931	2.4
55.01860	4.0
55.05508	6.2
57.07069	4.1
59.05005	1.4
65.03944	5.1
67.05503	10.1
69.03421	4.6
69.07063	9.0
71.04996	17.4
71.58313	1.3
78.59929	1.4
79.05482	7.8
79.69631	1.3
81.03414	2.6
81.07053	13.0
83.04989	4.9
83.08603	3.8
84.08147	2.2
85.02930	2.4
85.06537	3.2
89.03967	2.1
91.05484	71.9
93.07049	7.6
94.04170	1.8
95.04988	8.2
95.08601	13.2
97.02873	2.1
97.06544	6.2
98.09671	1.5
99.04461	32.9
100.07591	1.8
103.05459	4.1
105.03382	6.1
105.07024	6.2
107.04913	6.6
107.08591	17.3
108.05703	1.3
109.06529	13.3
109.10177	3.9
111.08057	2.1
112.07584	2.0
112.11237	2.4
113.09650	3.3
118.04169	6.9
119.04943	64.0
119.08611	4.3
121.02893	2.6
121.06544	2.1
121.10134	8.3
122.03704	1.7
123.04453	3.5
123.08082	7.5
123.11724	8.0
125.05989	2.4
125.09608	2.5
126.09158	3.0
129.03438	1.5
131.08585	3.8
132.02083	6.0
133.02878	2.5
133.06447	1.3
133.10124	3.0
135.04402	3.5
135.11684	2.2
136.05220	3.8
137.05998	3.3
137.09663	1.8
137.13249	1.8
139.03940	2.1
139.11168	2.7
146.03656	1.8
147.03236	2.8
147.04416	57.4
147.11726	3.5
148.04849	1.9
149.02354	9.6
149.09630	3.9
151.03926	3.3
151.07501	2.2
153.05499	2.6
154.12276	14.4
155.08549	1.8
157.03972	3.6
161.13220	1.9
163.03966	3.0
163.11162	2.0
164.04712	7.1
165.01891	2.0
165.05463	1.4
165.12772	4.7
166.43285	1.5
167.07089	7.4
167.10654	7.0
168.28296	1.3
169.08743	1.5
169.10114	2.6
174.03038	2.5
175.03914	89.1
177.01880	2.8
179.07059	6.7
180.04114	7.4
181.04964	1.3
181.10028	1.3
183.06541	3.3
183.11584	1.7
183.12451	1.4
183.13803	10.4
189.12762	2.2
189.77774	1.3
192.04175	32.3
193.04865	3.9
195.06418	1.5
207.06531	100.0
207.13864	4.0
208.06870	3.4
208.16905	2.2
225.07402	3.2
225.09360	2.9
225.14804	4.1
225.16618	2.1
225.19835	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	225.0758
Annotation	Sepedonin
Peak:m/z	Relative Intensity
51.02388	2.3
53.03934	8.1
55.01880	4.5
55.05516	10.9
56.96557	8.9
57.03417	3.9
57.07072	4.2
65.03916	5.8
67.05502	16.6
69.03411	9.7
69.07055	8.2
70.06579	2.0
70.33909	2.3
71.01347	3.3
71.04974	7.0
71.57995	2.3
77.03928	2.5
79.05490	14.0
81.03398	7.6
81.07057	16.9
83.04987	10.5
83.08602	4.6
84.08142	6.1
85.02914	3.0
85.06536	3.0
91.05481	82.6
93.07038	10.1
95.04967	36.2
95.08617	14.9
97.02887	6.1
97.06515	6.8
99.04451	10.4
103.05448	7.3
105.03395	14.6
105.07019	7.6
107.04952	12.3
107.08586	6.8
109.06514	10.3
109.10148	5.9
111.04421	4.6
111.08047	2.6
115.03733	2.0
118.04135	9.1
119.04940	63.0
119.08607	5.4
121.02824	3.5
121.06531	5.3
121.10124	3.4
122.03678	2.7
123.04429	26.5
123.08057	6.2
123.11713	5.2
125.05962	5.0
126.09148	2.5
131.04926	4.0
132.02110	2.1
133.02832	5.5
133.10100	3.6
134.03667	2.4
135.04378	4.6
136.05241	4.6
137.05954	9.9
137.09634	2.6
140.04701	8.0
141.06993	3.3
147.04411	56.6
147.11652	3.4
149.02351	9.7
149.05986	3.6
149.13222	2.3
150.03070	2.3
151.03891	3.6
151.07527	3.9
153.05429	5.0
153.06848	2.9
154.12300	5.8
155.07036	11.9
155.08382	3.6
157.03989	5.1
163.03908	9.3
163.11148	2.4
164.04712	8.2
165.01817	5.0
165.05437	6.1
165.06876	2.4
167.07062	17.8
167.08344	3.6
167.10645	2.7
169.10129	7.7
175.03905	87.2
177.01865	5.1
177.05464	3.8
179.03290	2.8
179.07022	8.6
179.08513	3.2
179.14354	3.1
180.04167	13.3
182.05817	3.8
182.07227	3.9
183.06520	17.9
183.11661	6.9
183.13771	3.3
189.12675	3.1
192.04170	30.8
193.04927	10.1
195.06500	4.4
197.09618	4.2
207.04550	4.8
207.06526	100.0
207.13786	4.8
208.06953	2.6
208.16856	3.3
225.07521	8.4
225.09172	6.4
225.12769	4.7
225.14784	5.5
225.16673	3.4
225.19649	5.1
226.09743	3.5
243.09004	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	224.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.0
55.15678	12.2
56.05026	13.8
57.03407	28.3
57.24792	14.2
58.02948	12.5
60.04517	33.5
60.65372	12.6
61.02907	16.6
61.27288	14.3
69.03414	36.2
71.01335	13.9
71.57408	21.4
73.02901	14.1
83.04973	24.1
84.04492	48.0
84.08130	66.0
85.02901	16.0
85.06540	100.0
86.06041	24.9
88.03975	43.9
89.00564	15.3
90.69519	14.6
103.07580	26.2
104.07088	17.9
107.63922	13.9
114.98611	14.8
115.03931	25.4
117.03664	28.5
127.03895	18.0
129.01761	36.4
131.01903	16.9
132.06604	20.3
135.04706	22.6
142.03282	24.7
143.03540	14.3
146.08078	17.0
157.01332	14.0
160.06000	15.4
161.04388	13.0
164.09157	22.4
186.76291	14.8
189.03967	16.3
201.02422	24.8
207.06848	23.4
217.70270	14.5
224.09329	18.2
224.11247	23.1
226.04271	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	225.0757
Annotation	Sparanone B
Peak:m/z	Relative Intensity
51.06190	1.4
53.03942	5.3
55.01875	4.1
55.05513	7.5
56.96556	4.1
57.03429	3.4
57.07078	7.2
59.04985	2.5
61.26248	1.4
61.46772	1.3
64.07455	1.3
65.03931	5.6
65.83755	1.2
66.04712	1.9
67.05500	10.1
68.05019	1.8
68.72179	1.1
68.99788	6.2
69.03423	6.3
69.07063	5.4
70.06591	4.8
71.04999	6.8
71.08659	1.4
71.57999	1.3
71.58424	2.2
72.08154	2.3
77.03929	3.1
78.04718	5.5
79.05492	31.2
81.03410	4.0
81.07058	24.8
83.04984	18.3
83.08615	1.7
84.04516	2.1
84.08137	5.3
85.02905	3.3
85.06543	2.0
86.09668	1.6
91.05484	41.8
92.02648	1.8
93.07037	7.1
94.04184	5.4
95.04966	25.7
95.08617	7.2
97.02914	3.0
97.06532	10.6
99.04445	6.3
105.03390	12.7
105.07036	11.4
107.04956	79.0
107.08597	17.6
109.02872	2.3
109.06512	31.5
109.10166	4.5
111.04413	1.9
111.08048	1.9
115.19655	1.5
115.60092	1.4
116.98628	1.5
119.04939	17.5
119.08591	8.8
120.05543	2.7
121.06503	3.6
121.10152	9.5
122.03601	3.6
122.57427	2.1
123.04436	16.0
123.08048	14.2
123.11639	1.8
124.05216	3.7
125.05986	30.5
127.07347	1.7
129.07014	2.5
133.02855	8.7
133.06525	2.7
133.10091	4.2
135.04424	14.2
135.11641	3.5
136.05151	4.5
137.05981	42.1
137.09604	6.9
137.13219	1.4
139.03922	1.9
139.07515	5.5
143.08543	2.6
145.10149	4.0
147.04410	9.3
147.05460	2.5
147.08009	3.3
147.11665	3.2
149.02299	2.3
149.09596	5.6
150.53905	1.3
151.03963	4.5
151.07552	20.0
152.04703	2.6
161.02420	3.2
161.13199	6.8
163.03909	14.3
163.11188	52.7
164.04317	4.3
165.01846	8.8
165.05486	40.0
165.06877	2.0
165.09109	2.5
165.12697	1.7
167.07048	60.5
167.10660	2.8
169.04988	1.6
169.06415	1.3
175.05086	2.1
175.76228	1.5
179.03481	1.7
179.07047	4.4
179.14262	1.5
180.04169	38.0
181.04863	1.5
181.12218	9.8
182.05832	3.2
183.06593	7.8
189.12752	7.2
193.04967	100.0
194.05638	2.5
195.06549	5.8
197.04402	1.8
197.08026	3.5
201.00583	1.8
207.06512	4.2
207.10201	3.1
207.13820	9.8
225.04236	6.0
225.07465	15.2
225.12714	1.5
225.14816	22.1
226.09857	2.4
227.02106	2.5
227.04053	4.2
228.69676	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.9723
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50610	10.6
70.37924	60.7
73.98210	12.4
77.46795	11.4
86.09691	17.6
94.92995	51.7
95.28930	13.3
96.92815	60.6
102.34041	12.6
119.92480	34.2
120.55164	10.8
122.38180	11.6
144.19653	15.0
160.01205	12.3
164.95433	14.4
180.97777	26.4
223.97212	100.0
223.99118	73.3
230.02440	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	223.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
55.01863	10.0
55.05509	18.8
56.05860	3.0
56.24445	2.6
56.96557	8.7
57.03420	2.9
57.07065	8.5
59.04996	10.3
61.02918	3.3
65.03933	6.7
67.05502	26.8
68.99777	3.3
69.03439	22.2
69.07064	13.8
70.06580	14.5
71.04998	6.4
71.16974	3.7
71.17293	4.4
72.08142	16.8
79.05484	25.8
81.03405	10.0
81.07044	31.8
83.04977	26.5
83.08617	6.2
84.08154	17.3
84.08950	3.1
84.92105	2.8
85.02895	8.3
85.06507	4.3
86.09694	11.2
91.05466	66.6
93.07043	91.1
93.07632	6.0
94.07292	2.7
95.04959	34.4
95.08603	20.7
96.59943	2.8
97.02876	6.9
97.06523	10.4
98.97581	6.6
99.04453	5.1
99.42339	2.8
100.01245	3.1
101.02316	3.1
101.12001	3.2
103.05463	8.6
105.03387	4.7
105.07026	52.5
107.04990	15.2
107.08590	50.3
109.06506	25.2
109.10162	10.2
110.07186	3.6
111.04472	3.7
111.08073	14.4
113.05980	5.7
115.05466	8.8
116.98620	8.2
117.03332	3.0
117.07021	21.1
119.04938	8.5
119.08574	33.4
120.08102	25.2
120.08854	4.0
121.02871	4.9
121.06503	100.0
121.10144	42.3
123.04444	6.5
123.08134	14.8
123.11725	5.1
125.06019	4.3
125.09611	7.7
127.07578	8.3
129.07013	13.5
130.07803	4.4
131.04944	7.0
131.08563	25.4
133.06491	6.2
133.10114	17.4
134.03627	6.9
134.99654	10.8
135.04410	10.1
135.08047	20.3
135.11679	16.1
136.07625	3.7
137.06006	5.4
137.09613	12.4
139.03908	5.6
139.07559	20.3
139.11185	3.8
142.07761	5.0
144.09341	8.0
145.06508	10.6
145.10114	25.2
147.08040	8.5
147.11697	5.7
149.02332	24.8
149.06003	10.2
149.09613	96.3
149.13246	6.6
150.05431	3.7
151.11200	5.0
153.09091	22.3
157.10118	19.0
158.99622	5.3
159.08080	6.7
159.11691	41.9
161.09604	13.0
162.03201	4.8
163.03905	23.1
163.07556	7.1
163.11130	24.3
165.09116	8.2
167.03471	3.7
167.05699	6.5
167.07050	9.5
168.58966	3.6
169.10124	3.1
172.08836	10.3
175.11151	33.2
177.00752	6.3
177.05495	6.0
177.07430	5.1
177.08995	4.3
177.12756	20.0
178.17651	3.4
179.05298	3.4
179.10657	12.5
187.11166	37.7
192.07816	8.6
193.12299	9.6
205.12244	46.9
206.11818	4.2
208.03740	3.6
223.06042	22.8
223.07901	7.1
223.11279	6.4
223.13248	95.6
223.16539	16.8
225.04295	72.3
225.06354	2.7
226.04309	3.7
227.02264	23.8
239.06148	3.0
243.56221	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03930	8.3
55.01857	6.8
55.05516	26.7
56.96560	16.4
57.03439	11.1
57.03664	2.3
57.07066	5.3
59.04988	9.2
61.02900	7.8
62.06091	2.3
62.18633	2.0
65.03905	2.2
67.05502	16.9
69.03431	17.0
69.07069	16.2
70.05715	7.6
70.06130	4.1
70.06570	7.1
71.04984	11.8
72.08153	4.4
76.02185	2.2
76.43934	2.3
78.04710	2.3
79.05491	28.1
81.03400	9.5
81.07059	27.9
83.04984	27.3
83.08603	5.0
84.04487	7.0
84.08141	5.9
85.02909	35.5
85.06551	3.7
87.04461	2.4
87.83686	2.3
89.06009	6.7
91.05457	29.6
93.06488	2.8
93.07046	51.9
95.04967	27.9
95.08601	22.1
97.02881	6.4
97.06538	6.0
97.10170	16.4
98.20907	3.4
98.97578	13.7
99.04420	3.7
99.08064	2.5
102.31566	1.9
103.05434	4.8
105.07030	34.0
107.04940	11.2
107.08596	39.2
109.06494	15.5
109.07613	2.2
109.10131	10.1
111.04441	4.8
111.08058	12.0
112.07560	2.3
113.05990	3.5
116.98624	11.3
117.07033	13.1
119.08579	35.9
120.08080	2.4
121.02863	4.8
121.06496	60.0
121.10135	26.9
122.07278	3.2
123.08059	21.6
123.42567	2.2
125.05947	5.5
125.09631	4.9
128.06236	3.5
129.06960	4.8
130.07773	3.5
131.04890	2.5
131.08560	14.5
133.06422	2.5
133.10144	25.6
134.03613	9.5
134.79588	2.1
134.99690	13.0
135.04398	7.6
135.08057	34.5
135.11679	20.7
136.30647	2.5
137.05971	6.2
137.09615	14.6
139.07578	11.7
139.08521	2.8
139.11191	3.3
140.00275	2.9
143.08540	3.9
144.09322	5.9
145.02893	2.4
145.06450	5.2
145.10121	23.8
146.07114	2.7
146.99684	3.2
147.04373	5.5
147.08060	11.9
147.11697	2.5
147.97986	2.4
149.02350	12.0
149.05936	7.8
149.09624	52.0
149.13232	8.4
151.03970	2.3
151.07634	2.8
151.11147	5.9
153.00658	2.3
153.05402	2.2
153.09099	5.5
158.01254	4.4
158.99611	2.9
159.08028	3.6
159.10454	2.9
159.11694	30.5
161.09628	13.4
162.03105	5.9
162.10396	3.9
163.03880	17.8
163.07558	6.2
163.11183	43.3
165.07005	2.7
165.09106	49.4
167.07031	5.8
172.08835	4.3
175.11185	4.7
177.00682	7.4
177.05534	3.0
177.12744	41.7
178.04985	3.6
179.10645	7.3
181.08571	2.8
181.12207	7.6
187.11232	16.1
190.02559	2.5
195.13823	3.0
196.04666	2.7
200.04822	4.7
203.07567	5.8
203.27319	2.8
205.12221	50.4
206.12663	2.5
206.15466	2.7
208.03615	4.6
209.05356	9.4
223.06027	16.8
223.13274	100.0
223.16898	11.6
223.20514	2.5
223.58789	3.5
224.13182	2.3
225.04276	35.1
226.04308	2.8
227.02106	12.8
235.00685	3.5
235.99083	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	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
55.01866	5.1
55.05514	13.4
56.96574	1.7
57.03442	2.6
59.04982	5.6
67.05490	7.5
69.03431	11.3
69.03754	2.0
69.07054	10.9
71.05006	2.4
79.05487	10.7
81.03407	4.8
81.07045	12.2
83.04975	15.7
83.08651	2.5
85.02908	18.6
85.06557	4.0
85.89855	2.0
89.33972	2.2
91.05473	21.0
93.07039	34.3
95.04962	15.8
95.08598	12.0
97.06538	4.3
97.10176	9.2
98.21442	5.5
105.07032	18.7
107.04957	3.7
107.08598	21.1
109.06519	24.8
109.10165	6.5
111.08064	9.8
113.05997	6.9
116.98623	2.5
117.07014	7.5
119.08566	16.2
121.06497	48.0
121.10136	18.1
122.07251	2.3
123.04438	2.2
123.08064	13.5
125.09600	2.1
128.93394	2.2
129.07014	3.1
130.07739	2.9
131.08559	7.6
133.10120	18.4
135.04445	3.2
135.08047	23.5
135.11691	15.1
137.09592	6.9
139.07518	14.0
143.08566	3.9
144.09360	5.7
145.10144	13.6
146.07213	2.8
147.08052	5.3
149.05997	6.4
149.09618	100.0
149.13306	4.0
151.11169	8.5
153.09102	3.0
157.10123	2.4
159.11708	23.9
161.09576	16.6
163.07668	2.2
163.11177	24.6
165.09109	12.4
167.07074	3.0
172.08800	6.7
175.11182	3.8
177.12744	30.6
179.10706	13.8
187.11156	15.7
193.12238	2.4
195.13760	2.2
205.12238	49.0
223.13284	55.3
223.15431	3.0
224.13568	3.4
225.04274	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	223.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01873	5.2
55.05517	14.7
57.03445	2.5
57.07073	4.2
58.70785	2.1
59.04995	4.7
61.03534	2.2
67.05492	8.4
67.11049	1.9
69.03423	15.0
69.07063	9.0
70.06577	2.5
71.04998	4.1
71.17680	4.3
79.05476	13.8
81.03428	4.4
81.07049	9.9
83.04982	14.8
85.02897	20.1
91.05482	18.2
93.07037	37.3
95.04971	15.3
95.08596	13.7
97.06554	3.5
97.10170	8.8
98.97599	2.5
103.05479	3.3
105.07031	18.6
107.04931	4.9
107.08598	24.5
109.06512	20.3
109.10142	8.1
109.62726	2.4
111.08080	8.1
113.06047	4.0
117.07030	5.2
119.08572	19.9
120.30428	2.1
121.06499	43.8
121.07388	3.1
121.10147	15.0
123.08075	15.2
125.06004	2.4
129.07005	3.2
131.08553	7.6
133.10112	10.6
135.04430	2.9
135.08037	26.6
135.11688	14.5
135.15138	2.2
137.09613	8.9
139.07558	9.8
143.08531	3.5
144.09361	4.3
145.06427	4.0
145.10161	10.6
147.08064	5.7
149.02307	5.1
149.06024	4.2
149.09608	100.0
149.13188	2.8
150.09865	2.3
151.11177	4.2
153.09085	3.0
159.11681	23.2
161.09645	15.8
163.11198	22.4
165.09082	11.2
167.07060	7.4
172.08853	4.7
175.11177	4.5
177.09071	2.4
177.12712	27.9
179.10674	8.9
181.12323	2.2
187.11203	16.2
205.12227	41.4
219.82652	2.2
223.06108	5.4
223.13281	50.5
224.13736	2.4
225.04282	11.1
227.02348	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	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
51.92424	2.0
53.03936	7.5
53.77521	2.8
55.01876	13.3
55.05519	12.7
56.96556	8.7
57.03419	3.5
57.07071	6.5
59.04988	9.7
61.02919	4.1
65.03922	3.5
67.05222	2.0
67.05507	20.6
69.03424	24.4
69.07049	11.2
69.44147	20.6
70.06593	4.6
71.04984	3.3
72.08154	10.5
77.03921	5.1
79.05487	28.4
81.03408	5.4
81.06609	2.7
81.07039	19.3
83.04977	23.3
83.08626	3.2
85.02911	5.6
91.05471	51.7
93.07041	97.3
95.04959	26.0
95.08591	15.7
97.02915	4.3
97.06513	9.3
98.97577	12.4
101.06067	3.0
103.05452	5.6
105.03365	5.5
105.07028	42.9
107.04952	9.9
107.08588	43.4
109.06500	21.9
109.10147	9.6
110.03613	2.6
111.04433	3.4
111.08083	11.3
113.05972	2.8
115.05479	3.9
116.98626	12.8
117.07021	16.1
119.04953	6.7
119.08584	28.3
121.06498	100.0
121.07380	5.4
121.10130	39.7
122.06954	2.2
123.04470	3.4
123.08063	9.2
123.11672	4.7
125.06041	2.9
125.09627	8.1
127.07545	7.8
129.07016	12.1
130.07756	5.5
131.04935	4.2
131.08575	25.1
133.06499	6.5
133.10101	17.2
134.99609	11.9
135.04446	4.2
135.08049	19.8
135.11688	10.0
137.05962	3.5
137.09602	10.8
139.07538	17.6
142.07770	6.9
143.08559	4.0
144.09331	10.0
145.06458	8.7
145.10130	21.4
147.08046	9.9
147.11652	8.9
149.02324	8.9
149.05942	6.8
149.09612	96.0
149.13216	4.3
153.09097	18.0
154.03654	2.3
157.10124	20.2
158.99643	4.4
159.08055	7.0
159.11694	35.4
161.09637	9.6
163.03944	4.3
163.07498	6.4
163.11180	21.3
165.09071	5.9
167.07002	4.5
167.08565	4.1
167.10623	3.3
172.08853	9.7
174.84445	2.4
175.11185	31.8
177.00714	6.8
177.12732	17.9
179.10703	8.3
181.12251	4.2
187.11185	33.1
193.12254	7.8
205.12186	35.3
223.06065	9.3
223.13245	65.0
223.16937	7.2
225.04292	24.3
227.02209	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	223.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
54.53955	0.3
55.01883	1.3
55.05512	4.4
57.07060	0.3
65.03933	1.1
67.05183	0.5
67.05511	5.8
68.05818	0.3
69.03432	0.7
69.07072	3.3
69.52007	1.0
69.52435	1.2
71.05001	1.5
79.05490	5.3
81.03427	3.3
81.07056	9.7
83.04991	2.0
83.08626	1.2
85.02899	3.0
85.06535	0.6
86.82306	0.3
91.05477	5.0
93.07049	4.5
95.04971	100.0
95.08602	4.7
95.09164	0.4
96.05305	1.2
97.06538	1.2
99.08133	0.6
103.05489	0.4
105.07036	2.6
107.04960	1.2
107.08584	2.2
109.06513	3.2
109.10197	0.4
111.04477	0.4
111.08078	0.5
117.07013	2.0
119.08577	3.2
121.06524	3.1
121.10133	1.7
123.04424	0.3
123.08065	2.7
125.02514	0.3
126.12993	0.3
129.07037	1.0
130.07806	0.5
131.08566	1.5
133.10153	0.5
135.08081	1.3
135.11708	2.3
141.06996	0.7
143.08626	0.9
145.06528	0.6
145.10132	5.7
147.08047	3.2
149.02362	0.7
159.11694	2.0
161.09604	1.0
163.11185	12.0
169.10194	0.7
177.12782	1.2
187.11206	1.5
201.81020	0.3
205.12270	1.1
223.05980	0.3
223.13264	3.0
223.16896	0.5
225.04294	0.7
227.02264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03942	6.1
55.01877	9.2
55.05508	24.4
56.96571	17.6
57.03431	7.8
57.07064	10.2
61.02920	3.2
62.06068	5.2
65.03950	3.6
67.05518	19.3
68.05017	5.1
69.03416	20.2
69.07071	13.2
70.06590	12.7
71.04986	12.1
71.57873	3.1
71.58341	4.9
72.08153	13.2
78.90594	3.0
79.05504	25.0
81.03423	9.2
81.07057	21.2
83.04987	58.7
84.04524	9.6
84.08145	9.3
85.02914	10.8
85.06562	4.5
86.09697	4.0
88.04002	4.0
90.36620	3.0
91.05446	22.9
93.07050	45.5
94.06576	8.9
95.04967	19.4
95.06055	3.8
95.08612	34.3
97.02904	7.9
97.06526	30.0
98.97576	19.0
99.04469	6.7
99.08115	3.2
103.05502	7.4
105.03446	3.8
105.07027	37.1
107.04977	19.6
107.08591	52.1
109.02847	4.6
109.06543	17.0
109.10149	11.8
110.03620	4.4
110.06069	3.8
111.04482	7.3
111.08099	11.6
112.07584	18.7
116.98598	20.1
117.07018	14.3
119.04954	7.4
119.08582	47.4
120.08117	19.4
121.02853	6.4
121.06512	23.1
121.10142	33.7
123.08055	41.0
123.11675	6.2
125.06014	10.7
125.07056	5.4
125.09587	7.4
129.05467	6.2
129.07057	3.6
129.10275	3.7
130.07779	6.4
131.08603	16.9
132.08041	4.1
133.10118	13.4
134.03610	11.9
134.99684	18.8
135.04440	14.8
135.08040	46.2
135.11670	24.4
136.08585	3.3
137.06009	8.1
137.09651	10.5
139.03952	3.8
139.07550	5.7
143.07021	8.0
143.08582	5.7
144.09369	8.4
145.02869	9.1
145.06464	4.1
145.10130	20.0
147.08032	16.5
147.11717	7.2
149.02345	30.0
149.05942	3.5
149.09657	10.2
149.13303	6.4
151.03882	3.8
151.11127	5.0
153.09102	4.9
159.08095	6.1
159.11711	34.9
160.07504	3.8
161.09695	8.3
162.03224	4.0
163.03894	66.8
163.07565	4.0
163.11214	43.3
164.11594	3.3
165.06920	3.5
165.09093	24.8
165.50430	3.0
167.03351	3.0
167.07022	6.0
175.11151	5.9
177.00754	12.6
177.12749	28.1
178.05006	6.5
181.12283	7.3
187.11241	10.6
196.07556	3.4
204.06607	3.1
205.12173	21.0
206.15472	18.6
223.06076	14.8
223.11343	7.5
223.13275	70.7
223.16608	20.4
225.04295	100.0
226.04417	5.7
227.02235	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	223.1328
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03934	0.8
55.01870	1.6
55.05272	0.5
55.05512	6.5
56.96553	0.8
57.07070	0.5
57.61028	0.3
65.03929	0.9
66.04714	0.6
67.05177	0.4
67.05505	5.8
69.07066	6.0
69.25601	1.7
69.26034	1.5
71.04975	0.6
74.44781	0.2
79.05489	4.5
81.03419	10.9
81.07059	5.2
82.39389	0.3
83.04974	1.6
83.08619	3.4
85.02906	0.4
85.06531	0.5
87.04422	0.3
87.08085	0.6
91.05482	2.9
93.03369	0.4
93.07050	3.3
94.04186	5.4
95.04971	17.5
95.08609	2.7
97.06503	0.6
99.96684	0.3
105.07034	1.6
107.04956	6.1
107.08562	1.5
109.06532	1.5
111.08113	0.6
114.95399	0.3
117.07004	1.8
119.08575	1.2
121.06493	1.1
121.10126	1.0
123.08061	1.1
125.06001	0.3
131.08568	1.2
133.10132	0.4
135.08057	0.6
137.09729	0.3
141.06960	0.3
143.08598	0.4
145.06488	0.5
145.10117	0.9
145.72676	0.3
147.08136	0.3
149.01208	0.5
149.02316	1.3
149.04434	0.3
159.11661	0.6
163.11182	1.2
165.07016	0.5
166.07767	0.3
167.02284	0.3
177.12744	0.5
180.00291	0.3
181.10112	0.4
193.10086	0.5
195.11595	0.5
205.12187	1.4
206.51956	0.3
214.39629	0.3
223.13281	100.0
224.13672	2.5
225.04263	1.6
227.02238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Placidene C
Peak:m/z	Relative Intensity
51.40017	0.3
53.03927	1.3
54.38618	0.4
55.01873	2.3
55.05510	9.2
56.96548	1.8
59.70295	0.4
65.03925	1.4
66.04718	0.9
67.05503	9.4
69.03416	1.0
69.07065	6.5
69.93839	2.3
71.04984	1.1
79.05491	5.8
81.03414	14.1
81.07055	8.3
81.31757	0.4
83.04969	1.6
83.08618	3.7
85.02887	0.7
85.06531	0.8
87.08098	0.5
91.05474	3.9
93.07049	4.3
93.34373	0.5
94.04185	6.4
95.04966	34.6
95.08609	4.8
97.06509	1.1
98.20868	0.4
105.07014	2.8
107.04944	7.2
107.08583	2.0
109.06490	1.9
109.10157	0.8
111.08057	0.6
117.07010	2.3
119.08572	2.0
121.06475	1.4
121.10102	1.3
123.08054	1.4
131.08545	1.0
133.10167	0.6
135.08031	0.7
135.11658	1.2
143.08551	0.5
145.10129	2.0
147.08003	1.1
149.02316	1.5
149.13179	0.4
158.05907	0.4
159.11658	0.9
161.01097	0.5
161.09688	0.5
163.11188	2.8
165.06752	1.0
187.11058	0.5
200.10527	0.8
202.60840	0.6
205.12184	2.0
206.75354	0.4
223.13275	100.0
224.13579	2.4
225.04231	2.1
227.02203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Placidene C
Peak:m/z	Relative Intensity
50.43828	0.2
51.14953	0.2
53.03938	0.6
55.01871	1.4
55.05507	6.9
56.96561	0.3
57.03413	0.4
65.03928	0.7
66.04721	0.7
67.05502	5.7
68.73195	0.3
69.03426	0.3
69.07067	6.1
70.83344	0.6
70.83686	0.4
71.04972	0.3
79.05495	3.8
81.03416	11.0
81.07051	3.9
83.04981	1.4
83.08617	2.9
85.58009	0.2
87.08090	0.4
91.05465	2.3
93.07038	2.8
94.04179	5.0
95.04967	13.6
95.08600	2.3
97.06496	0.3
103.05504	0.3
105.07027	1.6
107.04952	6.3
107.08588	0.6
109.06509	0.9
109.10133	0.5
111.08052	0.6
117.07026	1.5
119.08574	0.7
121.06503	0.8
121.10118	0.7
123.08053	0.8
131.08510	1.3
133.10063	0.4
135.08051	0.4
135.11673	0.4
141.06924	0.4
145.10078	0.7
149.02377	0.6
159.11682	0.6
163.11131	0.3
180.09273	0.2
183.58650	0.4
205.12190	1.5
223.13278	100.0
223.37616	0.2
224.13620	2.6
225.04234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.05511	88.0
56.96564	0.7
58.99583	5.7
67.52810	0.8
70.63869	1.1
70.64230	3.0
75.89816	0.8
76.02221	2.7
80.08224	0.8
83.08617	100.0
84.08939	1.0
86.20350	0.8
86.99047	6.2
98.97583	1.0
101.09653	13.0
105.00089	7.8
131.04939	1.4
135.08141	0.8
205.08928	10.7
219.89682	1.0
222.11453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05511	12.4
56.96555	0.8
57.03421	0.8
58.99590	2.5
59.35972	0.4
60.32281	0.4
60.36022	0.4
61.22006	0.4
62.99075	7.7
67.02988	0.6
68.04999	0.4
69.03428	0.6
70.06603	0.5
70.84606	1.2
73.02903	0.8
74.00674	2.0
76.02236	4.5
79.05481	0.6
83.04984	16.7
85.01116	2.5
87.02695	21.9
87.04450	1.0
88.03967	0.7
91.05457	0.4
92.80804	0.3
93.57163	0.3
101.06023	1.4
105.03741	1.9
107.02452	0.8
109.41066	0.4
113.04217	0.6
113.76693	0.4
118.06538	0.4
118.38990	0.4
130.06848	0.8
131.04941	0.4
133.03191	100.0
134.03531	2.1
141.97057	0.4
151.04239	3.5
158.06337	1.8
158.11745	0.4
159.12151	0.5
160.12329	0.5
174.05792	0.4
174.50607	0.4
176.07326	1.3
193.58473	0.4
195.05164	1.7
204.06914	4.2
205.05321	9.4
222.07880	1.5
223.04593	1.8
225.04356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40892	1.5
53.03946	2.9
55.01852	5.6
55.05508	18.1
56.05031	3.9
56.96558	17.4
57.03190	1.7
57.03433	17.0
58.99568	1.8
60.03183	1.7
60.04526	1.8
61.02922	28.5
62.99080	3.7
67.05509	3.7
68.05029	46.3
69.03428	17.4
70.02927	3.6
70.06580	9.2
71.04989	5.0
71.07358	2.0
71.59343	3.8
73.02913	9.6
73.06549	2.5
74.00634	2.0
74.02438	8.8
74.06066	2.1
76.02223	3.2
80.05013	22.2
81.03409	14.7
82.06552	6.8
83.04987	21.9
84.04500	29.0
84.08111	4.2
84.96063	2.5
85.01167	2.0
85.02889	12.4
86.06059	4.0
86.09702	15.0
86.99018	2.3
87.02694	22.1
87.04462	2.9
88.04015	2.8
91.03928	3.0
94.06565	18.3
95.04933	6.0
96.04475	6.3
97.02884	5.5
98.06052	21.2
98.97578	15.7
101.05996	8.5
102.05558	2.6
104.01291	2.4
105.00052	2.6
109.02879	3.8
110.01241	3.2
110.06025	8.1
110.97564	2.8
111.04473	2.3
112.03950	3.9
112.07589	4.1
114.05517	8.2
115.03929	4.0
116.98615	11.3
119.01791	7.8
121.03365	3.3
122.06023	20.2
123.04398	4.1
126.05458	4.0
127.03876	2.8
128.02319	15.1
128.07039	1.8
128.98616	4.3
130.04984	32.2
131.00177	1.9
133.01628	3.1
133.03185	68.3
134.02303	3.0
134.99635	6.1
135.03128	2.0
137.01852	3.1
137.02824	12.3
139.01534	2.4
140.02249	1.9
140.07056	31.7
141.05421	8.4
142.04984	8.2
142.96489	2.4
143.02846	3.5
144.06566	8.9
146.99640	8.5
150.05487	2.3
151.04266	3.5
158.08116	22.2
159.06441	5.4
160.06059	3.4
161.02826	1.9
162.01758	4.6
162.94566	8.4
168.06569	3.3
170.99541	2.1
173.01199	3.1
176.07639	2.9
176.09174	74.1
176.10715	4.0
177.00775	3.1
177.02283	3.4
178.03168	3.0
183.02155	2.2
186.07640	6.2
189.00719	5.2
201.00725	2.0
202.98624	2.3
204.06924	3.9
204.08656	21.7
204.10414	3.2
205.05186	10.3
206.98170	2.1
213.05424	1.7
217.00154	5.0
219.01759	3.3
222.01923	36.6
222.07915	5.5
222.09714	100.0
230.98096	2.6
237.02686	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10189	37.5
71.07381	7.9
83.75164	9.2
86.09708	26.8
94.06518	7.2
94.93009	100.0
104.10744	52.2
143.06366	8.1
162.95627	13.2
191.02599	6.8
191.35069	9.9
207.16425	7.5
221.99303	70.7
222.01675	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	222.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01859	1.7
55.05512	12.4
56.05028	0.7
56.96568	4.2
57.03438	3.5
58.99590	2.2
59.04976	0.6
59.17018	0.4
60.04516	0.5
61.02930	4.6
62.99076	6.9
65.10583	0.4
68.05029	6.2
69.03430	2.2
69.62957	0.5
69.63364	2.2
70.02934	0.4
70.06593	2.4
71.04990	0.4
71.07336	0.5
72.08138	0.5
73.02921	3.0
73.06544	0.7
74.00649	1.6
74.02451	1.0
74.06078	0.4
76.02232	3.7
80.05016	2.5
81.03404	1.6
82.06570	0.6
83.04983	18.6
84.04504	3.8
84.08147	1.1
85.01133	3.0
85.02899	2.1
86.09708	3.2
86.99079	0.4
87.02695	21.7
87.04457	1.4
88.04007	0.9
88.99174	0.4
91.03962	0.5
93.07002	0.5
94.06577	3.6
95.04977	1.0
95.57823	0.4
95.83928	0.4
96.04486	1.0
97.02880	1.5
98.01278	0.6
98.06061	2.3
98.20843	0.7
98.97592	3.5
99.04475	0.6
101.06049	3.3
102.05545	0.5
105.00111	0.5
105.03725	1.2
106.06534	0.4
109.02858	0.8
110.01277	0.6
112.03950	0.5
113.04220	0.5
114.05539	1.0
115.02155	0.6
116.07089	0.7
116.98611	3.2
119.01826	2.0
120.08098	0.7
122.06050	2.5
123.04431	0.7
126.05534	0.5
127.03904	0.5
128.02319	4.0
128.98589	0.8
130.04997	3.2
130.06856	0.7
131.01842	0.6
133.03191	100.0
134.03525	1.1
134.99646	1.7
137.02817	2.1
139.53033	0.5
140.02354	0.5
140.07063	4.5
141.05446	1.0
142.05016	0.6
142.96553	0.5
144.06564	0.7
145.01547	0.5
146.02272	0.5
146.99681	1.2
149.01245	0.5
151.04253	3.6
158.06410	2.0
158.08125	2.6
158.99706	0.6
159.06439	1.5
161.01218	0.4
161.02896	0.5
162.01814	0.8
162.94495	0.6
162.95686	0.8
163.02754	0.5
168.06535	0.5
171.02325	0.5
174.05771	0.5
174.98555	1.1
176.07455	1.9
176.09146	10.5
177.00781	0.5
177.02365	0.8
186.05905	0.5
186.07608	0.9
186.99196	0.8
188.97224	0.4
189.00797	0.8
193.00166	0.7
204.06898	3.8
204.08714	2.6
205.05295	11.1
205.07231	0.6
207.01770	0.5
208.04619	0.5
213.03175	0.5
217.00121	1.1
222.01920	3.1
222.07816	1.7
222.09720	11.4
225.04436	0.4
230.98132	0.6
236.18248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.02385	1.4
53.03952	3.9
55.05509	19.7
56.96562	2.0
57.03437	2.1
57.07073	5.4
59.05004	2.8
65.03937	1.7
67.05506	20.6
69.07067	16.2
70.38212	6.6
71.04997	22.9
79.05493	23.3
81.07057	58.0
83.05029	3.5
83.08620	6.6
85.06541	2.2
91.05476	17.5
93.07045	46.7
95.04984	5.3
95.08609	35.1
97.06550	2.5
97.10175	4.5
98.21442	1.8
99.08088	4.8
103.05448	4.3
105.07027	34.6
105.07682	2.6
107.04960	2.2
107.08598	68.5
109.06513	7.9
109.10163	27.0
111.08105	5.9
115.05484	3.2
117.07033	2.7
119.01934	1.9
119.08580	46.0
121.06514	2.5
121.10126	14.4
123.08091	4.5
123.11694	18.7
125.09621	2.7
126.75385	1.7
127.11190	3.1
129.06995	3.7
131.04929	3.5
131.08618	2.8
133.06488	5.5
133.10114	23.8
135.08078	2.8
135.11688	100.0
137.05977	2.1
137.09625	8.8
137.13286	4.0
139.11070	2.0
145.10106	3.0
147.11676	24.3
149.02365	3.9
149.13280	7.6
151.03893	8.4
151.11229	3.1
159.11749	3.0
160.05139	2.4
160.12500	1.9
161.05966	8.5
161.09712	2.3
161.13240	16.2
163.14885	5.3
165.09105	2.2
165.12817	3.4
175.07509	2.9
175.14854	4.2
177.14717	5.1
177.16379	3.1
178.15924	3.6
193.08647	3.6
193.15875	2.0
203.10634	1.7
203.14302	3.2
203.17946	35.2
206.05690	1.5
206.16278	3.0
220.58453	1.9
221.08127	2.6
221.15433	3.9
221.17278	18.6
221.19049	43.9
222.15102	1.7
222.18498	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.76274	1.4
53.03946	2.2
55.05517	16.2
57.07080	9.7
57.34875	1.5
67.05502	16.5
69.07061	15.0
69.38526	16.3
71.04997	26.4
74.66200	1.5
76.64690	1.5
79.05497	19.2
81.03419	2.0
81.07056	63.5
83.04964	3.7
83.08622	9.5
87.66593	1.7
91.05470	16.6
92.98749	1.8
93.07048	45.7
95.04965	5.2
95.08611	36.1
97.06548	3.8
97.10169	3.6
99.08115	5.0
103.05460	1.9
105.07027	37.7
107.08591	63.7
109.06515	8.2
109.10152	26.6
111.08069	5.8
111.53219	1.5
113.09635	1.9
114.47041	2.0
115.05476	3.6
117.07017	1.9
119.08575	49.4
121.06510	2.3
121.10128	11.7
123.08067	3.4
123.11716	16.6
125.09595	2.0
127.11180	4.1
133.06522	7.0
133.10124	25.8
135.08040	3.3
135.11693	100.0
136.11998	2.2
137.09624	6.2
137.13283	3.8
140.90265	1.7
141.06892	1.9
145.10172	2.1
147.11696	27.5
149.13278	10.3
151.03909	6.2
151.11154	5.2
161.05995	7.7
161.13240	14.4
163.14819	4.7
164.68344	1.7
165.12746	4.1
175.07452	2.1
175.14857	5.1
176.16553	1.6
177.16280	2.3
189.05519	2.7
193.08662	4.2
203.17955	37.8
206.16203	6.3
221.08066	4.8
221.15480	3.6
221.19017	50.6
221.22063	2.6
222.19104	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02355	1.4
53.03946	4.4
54.26853	0.9
55.01868	2.6
55.05509	13.0
56.96551	1.3
57.07061	2.3
59.04982	0.9
63.90059	0.8
65.03928	2.7
67.05500	19.9
69.07066	12.0
71.05001	4.6
71.58902	1.1
73.06569	1.0
79.05492	72.8
80.05800	1.4
81.03403	1.7
81.07056	47.3
82.07355	0.9
83.04977	2.7
83.08620	7.4
84.04498	1.3
85.02911	1.2
85.06539	6.0
91.04894	1.7
91.05474	44.1
93.07039	100.0
94.07358	2.1
95.04965	13.3
95.08603	21.6
97.06522	2.0
100.07639	1.3
101.06049	1.2
103.05473	1.1
105.04519	2.4
105.07027	36.9
107.04936	1.5
107.08591	79.8
108.08917	1.3
109.06528	8.0
109.10169	3.9
111.04477	1.0
111.08071	1.7
117.06976	5.3
119.06086	1.1
119.08575	41.0
121.06494	3.9
121.10143	20.0
123.08060	5.7
126.05511	1.9
127.07537	1.2
128.06247	2.4
129.06995	2.8
130.07945	0.8
131.08553	10.0
133.06369	0.9
133.10124	13.9
135.08066	3.5
135.11670	2.3
137.09596	2.1
141.09161	1.2
143.08533	10.3
144.09381	1.1
145.10136	3.0
147.08034	5.0
147.11673	5.5
151.07524	1.2
153.09143	1.7
157.10039	4.8
159.11670	8.9
161.09622	5.2
161.13242	36.9
162.13466	1.0
165.05493	1.0
165.09077	2.3
175.07523	0.9
175.11166	6.2
175.14838	7.4
179.10597	1.6
185.13232	16.5
193.03793	1.1
203.14308	9.6
206.16374	4.3
217.07414	1.3
221.04448	2.0
221.08110	1.4
221.11827	1.0
221.15369	29.0
221.18138	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.21613	1.1
53.03930	3.9
55.01876	1.3
55.05505	14.3
56.96550	2.5
57.03422	1.9
57.07070	6.6
59.04988	1.9
60.10612	1.7
65.03947	1.3
67.05499	17.9
69.03423	2.4
69.07059	14.5
71.04989	16.7
71.08598	1.6
71.57900	1.3
77.03912	1.3
79.05486	20.2
81.03412	1.3
81.07050	47.2
83.04966	3.8
83.08606	10.1
84.08130	1.7
85.06541	1.6
91.05474	17.0
93.07032	37.9
95.04956	5.3
95.08604	37.9
95.09136	1.0
97.06503	3.5
97.10166	3.2
98.97592	1.8
99.08081	2.6
103.05429	2.9
105.07021	33.0
107.04960	2.4
107.08583	61.9
109.06506	6.3
109.10147	23.9
111.08067	6.5
111.11699	1.7
112.07668	1.3
112.08498	1.2
113.09692	1.5
115.05447	4.0
116.98590	1.4
117.06999	2.8
119.04949	1.8
119.08569	39.9
121.06518	4.5
121.10128	13.4
123.08065	4.5
123.11692	20.7
125.09606	2.1
127.11169	3.9
127.78079	1.2
128.06224	1.9
129.07016	2.0
131.04919	2.7
131.08553	3.9
132.05745	1.3
133.06508	6.9
133.10124	26.9
135.08023	4.2
135.11682	100.0
136.12001	2.0
137.05942	1.8
137.09593	8.3
137.13263	4.1
139.11198	2.0
141.07008	1.7
143.04890	2.1
143.08591	2.0
145.06546	2.3
145.10130	4.9
147.04404	2.6
147.08080	1.9
147.11681	25.0
149.02316	1.9
149.09703	1.4
149.13268	7.2
151.03889	2.3
151.07484	1.9
151.11128	7.2
151.14851	1.2
159.11649	1.7
160.05191	3.0
160.12469	1.5
161.05968	8.9
161.09657	2.2
161.13254	18.4
163.11249	1.3
163.14810	5.1
165.07027	1.3
165.12740	3.4
171.08044	1.7
175.07507	3.9
175.11092	2.3
175.14839	5.8
177.05394	1.3
177.16396	2.6
193.08609	5.8
193.10129	1.3
193.15942	1.5
193.55405	1.3
203.03392	1.2
203.10687	2.8
203.14604	1.3
203.17949	32.8
203.19765	2.4
205.06931	1.6
206.10913	2.4
206.16206	6.7
215.11372	1.5
221.04320	2.5
221.08072	5.4
221.11742	2.8
221.13380	2.7
221.15672	7.1
221.19016	43.3
221.22171	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	221.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05505	2.4
56.05028	1.2
56.96567	7.5
57.03440	2.1
57.04246	0.4
57.07089	0.8
58.06575	0.4
60.04522	0.9
61.01153	0.6
61.02922	1.9
67.05488	1.2
68.05012	0.7
69.03413	1.3
69.07063	0.9
70.06597	2.3
70.81089	0.6
70.81424	1.0
70.98117	0.4
71.04990	1.1
71.53557	0.4
72.08144	1.1
73.02934	2.1
74.02435	1.0
74.06058	0.7
77.03916	0.4
79.05499	1.4
81.03405	0.8
81.04591	0.4
81.07066	2.7
82.02940	2.7
82.06579	0.6
83.04984	1.0
83.06123	0.5
83.08627	1.0
84.04514	0.6
84.08147	2.5
84.96027	0.6
85.02893	2.3
86.06066	0.4
87.02699	0.5
87.04471	1.2
88.04012	1.1
90.05575	0.5
91.05416	2.7
92.01207	0.4
93.07044	1.6
94.06562	6.1
95.01338	0.9
95.04977	0.9
95.08598	1.3
96.46680	0.4
97.02884	1.2
97.06522	0.5
98.06059	0.6
98.97575	2.5
103.05463	1.1
104.05357	0.8
105.07038	1.5
107.04945	1.6
107.08600	1.6
109.06505	0.9
109.10141	1.9
110.06000	0.5
110.07187	1.1
111.08054	3.2
115.05444	1.5
116.98629	1.9
119.01895	1.3
119.03502	0.6
119.04920	0.7
119.08582	1.4
120.08112	1.2
121.06507	2.9
122.06025	0.8
123.11677	0.5
124.03856	0.5
126.02569	0.5
127.04030	0.5
128.98567	0.7
130.06528	75.6
131.01897	1.3
131.06883	1.4
132.04451	51.2
133.01599	0.7
133.03215	2.1
133.04799	0.5
133.06470	0.5
133.10139	0.9
134.06053	0.8
134.10869	0.5
134.99655	1.7
135.08112	0.6
136.06210	0.7
136.07555	0.5
137.05975	1.0
137.09589	0.9
141.05431	0.5
146.05994	0.8
146.99644	1.7
147.09175	1.1
148.07593	3.6
149.01181	0.6
150.05783	0.8
151.11189	0.5
153.00690	0.5
153.09079	0.9
156.06746	0.7
157.06573	0.5
157.07613	28.4
158.06013	95.3
159.06331	2.0
159.12157	1.2
160.07674	0.5
161.01170	1.0
161.06001	1.2
161.09636	0.5
162.05542	1.4
165.00772	0.6
170.03409	0.6
173.01216	0.5
174.98708	0.5
175.08672	100.0
176.07123	2.4
176.09048	1.9
177.00777	0.6
186.05484	3.1
190.98689	0.8
193.15845	0.8
203.08226	3.4
203.10223	0.5
203.14572	0.5
204.06564	4.9
206.16266	2.2
217.00005	0.7
221.09233	14.9
221.15466	1.3
222.09653	1.0
237.02834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
50.72138	0.5
55.05486	0.5
57.07069	0.6
62.92302	0.5
67.05508	0.8
70.06606	1.0
71.56900	0.6
71.57246	1.0
81.07047	0.9
82.02959	1.3
83.08631	0.5
90.05570	1.0
91.05483	0.8
93.07036	0.7
94.06590	3.6
103.05489	1.0
104.04959	0.7
104.75374	0.6
105.07027	1.1
106.06548	0.6
107.08598	0.8
107.96191	0.7
111.08090	0.9
113.04654	0.6
115.05456	1.7
116.07158	0.5
120.08116	1.5
121.06520	1.2
128.67284	0.6
130.06523	56.9
131.06862	1.5
132.04451	40.5
132.08075	0.7
133.04807	1.1
134.05998	4.7
146.06024	2.0
147.06384	2.1
147.09143	1.2
148.07564	3.7
148.99710	0.5
156.06812	0.9
157.07608	22.1
158.06010	73.6
159.06465	2.2
160.07602	2.8
162.05496	8.2
175.08665	100.0
176.07092	2.4
176.09024	2.2
186.05475	5.1
193.09898	0.6
203.08195	0.7
203.11223	0.6
204.06557	10.4
204.08441	0.6
206.16241	0.9
221.09222	16.1
221.15266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
61.96091	0.6
62.74821	0.6
70.10742	1.2
70.11130	1.5
75.50635	0.7
80.04973	0.6
82.02934	2.1
91.05476	0.8
93.04500	0.8
94.06568	4.7
103.05431	1.4
104.98587	0.7
106.06564	1.2
109.10130	0.8
111.08076	1.0
114.40826	0.7
115.05439	2.1
118.06546	0.8
120.08119	1.3
130.06522	60.9
131.04880	0.6
131.06870	1.4
131.22112	0.6
132.04445	39.9
132.08075	1.0
133.04810	0.8
134.06007	5.7
139.30278	0.6
146.06003	2.0
147.06358	2.5
147.09171	1.1
148.07631	3.4
150.46307	0.7
157.07611	23.4
158.06007	79.5
159.06458	2.0
160.07608	3.9
162.05508	12.3
165.09065	0.8
171.51021	0.7
175.08669	100.0
176.07068	2.6
176.08942	2.2
186.05496	5.3
204.06552	15.8
221.09213	15.7
221.12718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
56.05013	0.6
56.96565	0.8
63.43023	0.5
67.05492	0.8
69.90979	1.8
69.91378	1.0
70.06606	0.6
70.52670	0.5
72.08146	0.5
73.02881	0.5
74.02411	1.4
75.02695	0.6
81.07042	0.8
82.02924	2.2
83.04984	0.6
83.08588	0.5
93.06993	0.6
94.06573	4.1
95.08543	0.5
98.97597	0.6
103.05455	0.7
105.07012	0.5
107.08582	0.9
109.06519	0.7
109.10168	0.8
111.08057	1.5
115.05451	0.7
119.08557	1.0
120.08108	1.1
121.06473	1.5
121.10172	0.6
121.52224	0.5
123.11668	0.5
130.06522	60.9
131.06854	1.2
132.04449	39.4
133.03116	0.5
133.10141	0.7
134.05984	0.6
135.08046	0.9
137.09534	0.7
147.09160	0.9
148.07593	3.1
153.09064	0.6
156.06740	0.5
157.07597	26.6
158.06007	74.9
159.06345	2.0
160.09595	0.6
161.06117	0.5
175.08665	100.0
176.07077	2.0
176.08969	1.9
186.05521	2.1
194.46709	0.5
203.08154	5.8
204.06523	4.5
206.16331	0.9
221.09221	16.7
221.15315	0.7
221.18294	0.9
222.09499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01876	2.7
55.05504	4.6
56.04381	0.7
56.05030	2.4
56.96563	7.4
57.03428	2.2
57.07072	2.8
58.99577	1.1
60.04515	2.1
61.02929	3.3
62.81161	0.9
63.35504	0.8
65.03923	1.2
67.05490	4.1
69.03419	4.2
69.07074	4.5
70.06593	4.6
70.09056	4.1
71.01332	1.1
71.04996	1.7
72.04482	1.0
72.08149	2.6
73.02929	3.4
74.02431	2.4
74.06077	2.7
79.05498	2.9
80.04939	1.0
81.03404	1.6
81.07057	6.1
82.02962	2.0
82.07407	1.4
83.01339	3.4
83.05009	2.4
83.08619	2.8
84.04521	1.8
84.08139	3.1
84.99274	0.9
85.02888	3.4
86.09696	2.0
86.87991	0.8
87.00822	3.0
87.04447	1.2
87.60923	0.7
88.03998	1.7
91.05427	7.3
93.07052	2.6
94.06570	5.8
95.01326	10.9
95.04935	1.5
95.08608	2.9
97.02892	1.8
98.97567	2.6
99.08121	2.0
100.02202	1.7
100.03915	0.8
101.02383	1.4
101.06010	6.4
103.05474	2.0
105.07043	3.7
106.05059	1.1
107.04942	0.9
107.08587	3.8
109.02834	1.1
109.06528	2.6
109.10161	4.7
110.07171	2.3
111.00792	1.8
111.08076	7.3
111.35137	0.9
115.05464	1.4
116.03436	1.2
116.98637	3.7
117.01848	1.7
118.08638	1.1
119.01854	2.5
119.03413	2.3
119.04926	1.9
119.08537	4.9
120.08094	1.8
121.01605	1.1
121.06500	8.8
121.10140	1.9
122.05988	1.2
123.04436	0.8
123.08110	1.2
123.11693	1.5
127.01595	1.0
129.01933	1.1
129.05490	5.6
130.06529	73.0
131.04910	1.4
132.04454	46.9
133.03201	3.1
133.06503	2.3
133.10124	3.4
134.06018	1.3
134.10928	1.3
134.99655	2.8
135.08067	2.5
136.07578	5.9
137.05994	2.1
137.09602	2.9
141.05457	6.5
141.11029	0.8
145.10139	0.9
146.99715	1.3
147.04420	1.1
147.08026	1.3
147.09167	1.4
147.11723	1.1
148.07570	2.7
151.11235	1.5
153.09111	4.2
157.04959	2.8
157.06534	0.8
157.07617	32.3
158.06013	91.5
159.12039	1.9
160.05183	1.2
161.03159	1.1
161.04723	1.1
161.05966	4.7
161.09668	1.3
162.05521	1.5
165.09109	2.2
175.08679	100.0
175.14815	4.9
176.07065	2.6
177.00693	1.2
177.05322	1.0
177.06682	1.2
186.05554	2.6
189.02507	1.8
193.09895	1.3
193.15906	4.9
203.08258	6.4
203.14397	1.6
204.06485	5.7
205.15758	0.9
206.16187	5.7
208.45088	0.8
216.99976	1.0
221.04485	2.4
221.09254	16.4
221.15245	4.5
221.18398	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	220.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64489	0.2
69.72742	0.7
69.73162	1.2
81.07037	0.5
91.05473	0.4
105.07030	0.6
107.08579	0.3
117.60448	0.2
118.06545	13.5
119.08562	0.3
120.08067	0.3
121.10105	0.3
132.08070	2.6
132.08929	0.5
133.08871	1.1
134.09630	0.9
135.11656	0.3
144.08046	0.4
146.09630	3.0
147.10391	0.4
158.56834	0.2
160.11192	0.5
162.09131	9.1
175.07173	0.4
176.10902	1.9
176.14346	33.4
177.11467	0.8
177.14684	0.8
190.09462	0.5
190.12245	3.7
202.15950	1.1
204.14127	0.5
205.15897	1.6
220.16956	100.0
221.17299	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.05507	0.2
57.07065	0.2
67.05507	0.2
70.93934	0.4
79.05505	0.2
80.05862	0.2
81.07067	0.5
82.07385	0.2
91.05489	0.3
92.05817	0.2
93.05826	0.1
93.07072	0.3
95.08611	0.2
95.94628	0.1
105.07037	0.7
106.06569	0.3
106.07358	0.3
107.08575	0.2
108.72988	0.1
117.07026	0.2
118.06540	13.2
119.07343	0.2
119.08565	0.3
120.08125	0.3
120.08938	0.2
122.10490	0.2
130.06500	0.1
131.08534	0.1
132.08070	3.4
132.08968	0.3
133.08868	1.4
133.10107	0.5
134.09636	1.0
134.10513	0.5
144.08066	0.3
145.10152	0.2
146.08492	0.2
146.09630	3.7
146.10759	0.2
147.10416	0.4
148.11192	0.2
158.06767	0.2
160.11113	0.6
161.11972	0.2
162.09140	6.9
162.13637	0.1
163.09773	0.3
175.07268	0.3
176.10779	4.6
176.14342	31.1
177.11478	1.4
177.12961	0.2
177.14745	0.8
178.12181	0.2
190.09537	0.2
190.12256	3.8
190.13968	0.2
191.12958	0.3
202.09366	0.2
202.15912	1.3
204.14465	0.3
205.15894	1.0
209.86813	0.1
220.16954	100.0
221.17300	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	219.1339
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.05511	1.0
57.07087	0.6
60.04523	100.0
63.68996	0.4
67.05496	0.9
69.03413	0.9
69.07086	1.0
70.02946	0.7
70.06594	0.6
70.46972	1.4
72.04468	0.5
72.08147	2.3
74.02412	0.5
75.04470	1.2
75.83540	0.5
79.05479	1.1
81.07056	1.5
83.05006	0.8
86.06052	1.4
86.09702	69.0
87.04456	3.0
87.05581	3.4
87.10040	0.9
91.05480	0.7
93.07042	0.9
95.04970	0.5
98.06052	4.4
98.97545	0.7
103.03948	1.3
105.07031	1.0
107.08569	1.2
109.06510	0.5
119.08575	2.3
120.08118	0.6
120.40674	0.5
121.10140	2.1
123.08060	0.5
128.10715	2.2
132.10202	43.0
133.10101	2.2
140.10704	3.8
145.10124	1.0
146.05978	1.2
158.11757	11.1
159.02855	1.3
161.09593	0.5
161.13264	1.3
172.09633	0.7
173.12851	23.5
174.05481	0.6
175.14729	0.5
187.11131	0.8
188.11842	0.6
190.08624	1.6
201.12354	2.7
203.12431	0.7
203.14316	12.6
219.13379	4.8
219.17430	32.6
220.09712	2.1
220.15497	0.7
220.17644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.01867	2.5
55.05509	4.7
56.05025	0.9
56.96558	1.6
57.07073	9.0
59.05012	3.9
60.04514	1.5
61.02930	4.2
62.03254	1.0
67.05510	5.6
68.05016	1.4
69.03429	4.8
69.07075	5.1
70.02949	6.2
70.06590	4.9
70.76720	1.7
71.01350	4.9
72.01686	2.6
72.04163	0.7
72.04518	10.4
72.08157	15.4
73.02909	3.4
74.02417	1.3
74.06084	1.2
75.04482	9.0
76.04821	4.5
79.05485	2.1
81.03391	0.8
81.07048	4.9
83.04981	1.2
84.04488	1.9
84.08128	1.5
85.04019	0.7
85.06548	8.3
86.06062	10.3
86.09689	1.7
87.04467	27.9
87.08076	1.4
88.04007	0.6
88.04797	2.2
89.02402	1.1
90.02699	0.8
90.05554	70.6
91.05441	3.1
93.70037	0.6
94.06570	1.3
95.04961	5.9
96.04495	1.1
96.08127	2.1
97.02906	0.6
98.02415	7.2
98.06055	36.6
98.09639	0.6
100.03983	2.0
100.07598	1.0
102.05519	0.8
103.03941	8.4
103.07566	6.6
104.04263	6.1
104.16668	0.6
105.07025	2.6
107.08607	1.1
111.08080	0.9
113.05994	2.4
116.03453	11.9
117.06936	0.8
119.08589	2.1
120.08896	1.5
121.06493	2.3
121.10162	0.7
122.04903	0.7
123.08063	0.8
124.07589	13.7
131.03441	1.2
131.07117	1.3
132.03696	1.5
133.10114	1.2
134.10413	0.7
134.99623	1.2
135.08029	0.7
135.11652	0.8
137.09572	0.8
140.10706	23.4
142.08641	5.6
142.62962	0.6
144.08963	0.6
145.10132	3.4
146.05992	1.0
146.09650	0.6
147.04417	0.8
148.07520	0.6
148.11954	0.8
156.10223	1.0
158.11765	100.0
159.02908	4.7
159.12041	1.4
160.03230	12.9
160.09694	1.9
161.05948	1.1
162.13579	1.4
166.08604	1.9
174.11220	1.2
175.08792	0.7
177.12762	3.7
179.14775	0.6
184.09691	11.1
188.02748	1.5
189.12590	1.0
192.02858	1.1
192.06511	0.7
202.10727	16.4
202.12509	1.3
202.14369	7.4
203.11217	0.8
203.80167	0.6
204.14648	9.3
205.15869	37.7
220.05669	1.3
220.07904	0.7
220.09695	1.4
220.11807	11.4
220.13402	1.8
220.15475	6.8
220.17825	31.2
230.18964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1339
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.01874	1.4
55.05511	6.5
56.05019	3.9
56.96294	1.1
56.96563	18.9
57.03433	6.4
57.07062	1.1
60.04525	100.0
61.02930	10.9
67.05482	3.3
68.05018	4.6
69.03413	3.8
69.07053	3.4
70.02926	1.5
70.06612	4.2
70.06918	0.9
70.98135	1.2
70.99911	0.9
71.01334	2.8
71.04996	2.7
71.57417	1.7
71.95222	1.0
72.04516	1.4
72.08154	32.4
73.02925	4.2
73.06549	1.1
74.02412	1.5
74.06077	9.6
74.97586	1.3
75.04481	1.8
78.86214	0.9
79.05499	1.9
81.03405	4.2
81.07047	1.9
82.06573	1.9
83.04953	1.3
84.01612	0.8
84.04503	11.3
84.08143	44.3
84.96026	2.3
85.02899	7.4
85.04043	0.9
85.06554	2.2
85.08454	1.2
86.03667	2.2
86.06086	1.5
86.09704	92.6
87.04458	1.4
87.05583	4.9
88.03995	1.0
88.99116	1.0
89.02363	1.2
90.01576	1.0
90.05559	4.8
90.09187	3.2
91.05476	1.9
93.07030	2.8
94.06569	5.1
95.04961	1.3
96.04505	0.8
97.02881	2.7
97.96781	1.8
98.01299	1.1
98.06017	1.2
98.97589	12.9
99.04442	2.2
101.00797	1.7
102.05548	1.8
103.02383	1.1
103.03954	1.1
105.07068	2.0
107.08578	1.6
107.38779	0.9
109.02868	2.4
110.06054	1.1
110.09690	1.8
110.97563	1.2
112.07549	2.1
113.02383	1.4
114.05555	1.5
114.09151	1.0
115.97824	1.1
116.98618	11.4
117.02039	2.2
117.05479	0.8
118.03519	1.1
119.01905	8.0
119.08553	4.3
120.06580	1.8
120.08108	0.9
121.01654	2.5
121.03507	1.3
121.10149	5.7
126.02557	3.4
127.03945	1.2
127.09476	1.2
128.02287	3.0
128.07057	2.6
128.10738	3.2
128.98593	2.1
130.04993	8.4
130.08635	12.6
131.00177	1.8
132.10204	45.9
133.03441	3.7
133.10078	4.5
134.99649	9.3
135.03123	5.8
135.11708	1.0
137.02953	1.9
139.02618	1.2
142.04970	1.9
142.08691	1.3
142.96547	1.1
143.00127	1.3
143.01913	1.2
144.03539	1.8
145.03461	2.2
145.10120	1.5
146.06017	1.3
146.99652	5.3
147.03130	2.3
147.05000	1.3
147.11723	1.3
148.04749	2.3
148.06020	1.2
149.01204	2.0
150.01836	1.2
155.08141	3.6
156.06558	3.1
156.10208	2.9
156.13846	2.3
158.11774	3.0
158.99669	1.9
159.02983	2.1
160.02089	1.8
160.97554	1.9
161.01204	2.9
161.02902	2.5
161.09578	2.0
161.13246	3.2
165.00760	2.4
170.10954	1.0
173.01234	2.2
173.09802	1.8
173.12862	23.8
174.07677	1.3
174.11266	2.4
174.14865	1.9
175.02771	1.3
177.00737	4.3
177.02284	0.8
184.09685	2.4
187.11162	1.3
189.00748	2.2
189.06039	1.5
191.02208	2.3
195.01726	1.1
196.00963	1.4
196.04626	1.5
201.12367	4.1
202.07082	2.0
202.10695	1.6
203.14302	23.8
219.01675	1.7
219.07037	4.3
219.10246	2.0
219.13446	10.7
219.17400	60.8
220.11789	2.1
220.17825	1.0
237.02736	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.134
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
53.03931	0.7
55.05510	4.4
55.65403	0.6
56.05037	4.5
56.96564	8.8
57.03439	4.1
58.05343	0.8
59.75200	0.6
60.04525	100.0
61.02925	4.0
61.56675	0.8
67.05527	0.9
68.05021	1.5
69.03423	3.1
69.07059	3.4
69.74459	3.6
69.74867	1.6
70.02946	1.0
70.06577	2.0
71.01338	1.2
71.04990	0.8
71.06089	1.4
72.08157	27.0
73.02909	3.0
74.06075	8.9
81.03427	2.1
81.07043	1.0
84.04516	6.3
84.08145	20.8
84.96043	1.2
85.02898	3.0
85.04025	2.2
85.08487	1.4
86.01552	0.7
86.06057	1.7
86.09703	89.6
87.05582	5.0
87.99651	0.7
88.04000	2.5
90.05544	2.4
90.09200	1.2
91.05502	0.9
93.07013	1.2
94.06581	4.7
95.06044	0.8
97.02876	1.8
97.96771	0.8
98.06072	1.3
98.20726	0.8
98.97585	7.9
100.02473	1.4
100.04013	1.7
101.00891	0.8
102.05541	1.2
105.02010	0.7
105.07076	1.6
109.02880	1.5
110.06022	0.7
110.97569	0.9
112.07563	0.7
114.05550	4.0
116.98614	7.9
117.02081	0.7
118.03510	0.7
118.08694	1.4
119.01900	6.9
119.02698	1.0
119.08601	2.1
120.06589	1.2
121.01682	2.3
121.06519	0.6
121.10148	2.6
126.02624	1.0
128.02284	1.2
128.07063	1.9
128.10735	2.4
128.98621	2.0
130.05009	11.4
130.08646	5.6
131.00124	0.9
131.08107	3.6
132.04417	0.8
132.10202	44.3
133.03485	2.8
133.10143	1.9
134.99661	5.7
135.03117	2.5
137.02936	2.4
139.02702	1.1
142.04974	1.6
143.00148	0.8
144.03548	1.2
145.03406	0.7
146.05997	0.9
146.99635	2.6
147.05070	1.5
148.04747	1.3
149.01190	1.3
151.04501	1.3
155.08107	1.6
156.06563	2.2
156.10178	1.4
156.13747	0.8
158.11813	1.4
158.99628	1.3
159.02881	1.1
160.06035	1.6
160.97607	0.9
161.01141	1.1
161.02928	2.6
161.13211	2.0
165.00735	1.4
169.02481	0.7
171.05037	0.8
172.99419	0.6
173.01244	0.7
173.02919	1.6
173.09282	3.0
173.12865	21.5
174.11253	0.8
174.14957	0.8
175.04337	1.0
177.00697	2.4
177.02394	1.0
189.00758	1.0
189.05969	0.8
191.00336	0.9
191.02228	1.2
195.01717	1.0
201.12344	3.3
202.07130	3.4
202.10667	2.3
203.14331	12.5
219.01694	1.1
219.07135	4.0
219.09993	1.5
219.13402	7.5
219.17416	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	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05498	1.6
57.03421	1.2
67.05495	3.1
70.72065	2.7
71.04990	2.1
72.16214	0.8
74.19420	0.9
78.13165	0.9
79.05478	2.8
81.07047	3.8
83.04977	1.0
91.05479	15.7
93.07040	2.7
95.08588	2.2
98.20781	1.1
103.05446	3.7
105.07030	8.1
107.08598	3.0
109.10114	1.0
115.05448	14.6
116.06246	4.4
117.06973	4.2
119.08586	6.0
119.29823	0.8
121.06530	1.0
121.10110	2.8
125.09620	1.8
128.06229	12.3
129.07004	49.7
130.07765	4.0
131.04935	10.6
131.07582	2.0
131.08565	40.0
132.08862	0.9
133.06493	1.0
133.10132	8.2
137.05971	3.6
141.06989	41.5
143.04926	2.7
143.08557	3.4
144.05708	7.8
145.06488	9.9
145.10101	2.5
146.07307	6.5
147.11713	1.2
148.05191	1.8
153.06966	1.1
155.06041	1.4
155.08595	1.1
157.06482	23.1
158.07285	23.8
159.03238	0.9
159.04413	5.1
159.08054	28.0
159.11668	2.5
160.05153	5.9
161.06003	1.6
161.09633	3.6
161.13246	3.1
163.07516	2.8
168.05727	1.1
169.06462	15.2
169.07664	1.3
170.07269	8.0
171.08051	1.3
172.08517	0.9
173.05975	5.9
173.09697	1.8
173.13190	0.9
174.06764	83.5
175.07524	14.0
176.08205	1.1
185.05899	1.3
186.06763	19.4
187.07468	2.8
188.08257	4.4
189.09102	100.0
190.09401	2.5
191.10664	5.9
201.09097	41.0
201.16412	1.4
203.14307	13.4
206.24892	1.0
219.10144	75.5
219.17429	37.0
220.10527	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.90475	1.3
56.35307	1.4
58.37768	1.3
59.98773	1.5
63.38176	1.2
67.05490	1.9
70.15517	6.1
79.05475	1.5
81.07057	2.6
91.05474	16.1
93.07034	2.0
103.05452	4.5
105.07023	4.8
107.08622	1.7
109.10204	1.3
115.05460	13.0
116.06214	3.9
117.07011	6.1
119.08570	5.3
121.10146	2.7
127.05552	1.4
128.06209	15.1
129.06993	46.6
130.07806	3.4
131.04935	11.7
131.08549	51.1
133.10123	3.9
137.05966	4.8
141.06976	45.5
142.07664	1.5
143.04872	3.7
143.08572	2.8
144.05695	9.3
145.06467	10.4
145.10173	1.8
146.07234	7.4
148.05161	1.6
157.06474	23.2
158.07271	29.7
159.04387	5.8
159.08035	30.3
160.05183	6.1
161.09598	4.1
161.13243	2.4
163.07516	2.8
169.06435	17.4
169.07642	1.9
170.07231	9.7
173.05977	4.6
173.09607	2.3
174.06757	92.7
175.07542	14.6
175.09084	2.0
185.06058	1.4
186.06764	25.9
187.07452	2.8
188.08281	3.8
189.09088	100.0
190.09441	3.4
191.06963	2.1
191.10695	6.7
201.09093	48.2
203.14281	13.3
219.10144	81.3
219.17415	40.3
220.10503	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.3
57.03433	1.2
59.84450	0.8
67.05487	1.4
69.07045	1.1
70.31107	2.1
70.31499	1.4
79.05489	2.1
81.07062	4.5
84.08124	1.2
91.05482	14.3
93.07043	3.0
95.08633	1.1
100.07580	1.4
103.05447	3.7
105.07020	7.2
107.08592	3.1
115.05434	11.4
116.06229	3.3
117.06982	3.2
119.08582	3.1
121.10136	2.7
125.09608	1.4
128.06209	8.8
129.07002	41.7
130.07755	3.5
131.04907	9.8
131.08560	39.0
133.10117	8.0
136.73878	0.9
137.06003	4.3
141.06989	36.5
142.07390	1.5
143.04869	2.1
143.08534	2.8
144.05681	6.4
145.06477	9.4
145.10146	2.0
146.07277	5.4
147.11700	1.8
148.05103	1.5
152.97998	0.9
156.05540	1.1
157.06487	21.5
158.07266	20.2
159.04424	4.0
159.08044	26.7
159.11700	3.6
160.05180	7.6
160.08539	1.0
161.06013	1.1
161.09590	3.3
161.13251	2.0
163.07552	2.3
169.06470	15.7
169.07742	1.2
170.07239	7.9
171.04321	1.0
171.07988	1.9
173.06001	4.5
173.09616	1.0
174.06763	86.4
175.07545	11.3
175.14815	0.8
186.06744	18.4
187.07433	1.6
188.08267	4.4
189.09099	100.0
190.09447	1.9
191.07027	1.8
191.10646	7.1
201.09102	37.0
201.16344	2.0
202.09337	1.2
203.14368	5.7
219.10153	72.0
219.17421	15.6
220.10446	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03940	1.2
54.86954	0.9
55.01855	3.9
55.05518	5.6
57.03423	2.6
57.07040	2.0
65.03950	1.4
67.05505	7.5
68.99770	2.2
69.03416	2.1
69.07063	5.8
70.70555	2.8
71.01331	1.5
71.04982	1.5
72.08138	2.2
75.04462	1.4
77.03940	1.0
79.05492	8.4
81.03404	1.7
81.07058	12.4
83.04962	1.3
83.08615	1.7
84.08173	1.9
87.04462	3.0
91.05480	18.3
93.07047	10.0
95.04964	4.9
95.08607	7.1
97.06522	1.9
98.09705	1.2
98.97613	1.3
100.07603	1.6
103.03979	1.2
103.05446	4.7
105.03384	1.9
105.07020	12.9
107.04920	2.1
107.08575	9.7
109.06499	4.1
109.10149	4.1
111.08088	1.1
115.05452	13.4
116.06255	4.4
117.07018	7.0
119.04926	1.3
119.08590	11.9
121.06493	2.7
121.10156	13.0
123.04420	3.3
123.08057	2.8
125.09601	1.2
127.03893	1.3
128.06213	12.9
129.07005	42.7
130.04126	1.7
130.07750	3.7
131.04909	10.4
131.08562	42.7
132.05717	1.1
133.10127	10.7
135.04388	1.4
135.08061	2.8
135.11691	4.7
137.05969	4.9
141.06984	36.8
142.07724	1.2
143.04936	1.4
143.08563	3.7
144.05687	8.8
144.09370	2.2
145.06490	11.4
145.10126	8.3
146.07303	5.2
147.04443	2.2
147.08070	2.3
147.11673	4.0
149.06027	2.2
149.09581	2.4
149.13229	1.6
151.03896	50.5
155.04836	1.2
155.05968	1.5
155.08458	1.4
157.06483	21.4
157.10097	2.5
158.03592	1.0
158.07265	21.6
159.02997	1.5
159.04405	4.4
159.08044	25.2
159.11685	17.2
160.05179	4.1
161.05962	1.8
161.09618	5.1
161.13248	7.9
162.06752	1.1
162.09146	1.5
163.03952	1.9
163.07549	2.7
163.11150	1.9
165.05423	1.5
169.06485	12.8
169.07803	1.3
170.07280	6.4
170.11151	0.9
171.04382	1.4
171.07970	1.2
173.06018	7.3
173.09619	2.8
173.13277	4.7
174.06760	68.4
175.07503	11.3
175.14807	3.1
176.04654	1.3
177.05435	4.6
177.09061	1.9
185.05914	1.0
185.13239	0.9
186.06776	17.3
187.02354	3.0
187.07556	4.6
187.11089	1.3
188.08347	4.8
189.09100	80.6
190.09401	1.1
190.95305	1.5
191.06995	1.7
191.10687	5.6
201.05423	1.7
201.09103	33.7
201.16374	4.2
203.14314	31.7
219.06589	2.7
219.10164	78.5
219.13840	4.8
219.17427	100.0
220.10229	1.3
220.17021	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	219.1014
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.02387	1.2
55.05496	3.2
57.03429	3.4
58.61015	1.0
67.05499	4.4
69.03398	1.4
69.07043	2.6
69.79357	5.9
72.18322	1.1
79.05477	3.4
81.07064	4.9
83.05012	1.3
84.08124	3.2
91.05476	19.5
91.67341	1.1
93.07041	5.8
95.04951	2.4
95.08600	4.2
96.90032	0.9
100.07592	2.2
103.05452	5.6
105.07040	9.1
107.08585	4.8
109.06483	1.3
109.10130	1.5
111.04459	1.1
115.05440	17.4
116.06251	6.5
117.07012	5.6
118.06558	3.6
119.08595	8.1
121.06535	1.7
121.10120	7.0
123.04423	1.3
123.08058	1.8
127.70564	1.0
128.06209	15.1
129.06999	54.7
130.07729	3.9
131.04932	13.5
131.07584	2.4
131.08557	44.2
132.08911	1.1
133.10139	6.4
135.04478	1.2
135.11659	3.2
137.05963	4.7
140.06192	1.5
141.06982	52.9
142.07422	1.3
143.04886	2.4
143.08540	4.3
144.05692	8.0
145.06479	11.5
145.10066	5.2
146.07245	6.8
146.09642	1.5
147.11655	2.6
148.05185	2.0
151.03903	7.8
155.06094	1.3
157.06482	26.9
158.07269	28.5
159.04446	6.1
159.08047	32.9
159.11662	4.6
160.05188	8.2
160.08472	1.1
161.05948	2.1
161.09596	5.8
161.13252	2.8
162.09108	4.7
163.07529	3.5
163.11209	1.4
169.06456	17.6
169.07770	1.0
170.07254	9.6
171.04462	1.1
171.08006	1.4
173.05971	9.8
173.09671	2.8
173.13322	1.7
174.06763	99.0
175.07523	13.3
175.11053	1.3
175.14833	1.7
176.10757	2.3
176.14330	10.2
177.05524	1.6
177.09048	1.8
185.06047	1.8
186.06763	23.5
187.07535	2.6
188.08302	3.7
189.09102	100.0
190.09473	2.8
190.12228	1.7
191.07014	2.5
191.10684	7.9
201.09105	41.8
201.16400	2.0
202.09502	1.9
203.14311	16.9
219.10152	74.9
219.17418	59.8
220.10506	2.4
220.16931	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03421	1.6
59.55537	0.8
65.03944	1.0
67.05495	1.9
69.03405	0.9
69.53996	8.3
81.07044	1.3
91.05483	16.0
92.03061	1.0
95.54884	0.9
103.05440	4.1
104.06302	1.0
105.07009	3.7
107.08578	1.4
109.10022	0.9
115.05453	16.6
116.06241	5.6
117.06998	3.8
119.08560	2.8
128.06218	16.6
129.07007	55.3
130.07809	4.8
131.04913	10.9
131.08569	47.9
133.06429	1.2
133.10100	4.5
137.05957	6.2
140.06113	1.1
141.06984	46.9
142.07320	1.2
143.04927	3.3
143.08517	3.2
144.05695	8.7
145.06470	11.9
146.03543	1.2
146.07265	6.6
148.05219	2.0
157.05209	2.1
157.06482	32.0
158.07277	30.2
159.04448	5.7
159.08052	34.9
160.05205	7.6
161.05957	2.0
161.09575	4.6
163.07529	2.7
168.05763	1.4
169.06456	17.0
169.07669	1.8
170.07256	9.6
171.04420	1.3
171.07977	1.6
172.05208	1.2
173.05975	6.6
173.09610	2.2
174.06767	96.7
175.07504	12.7
177.05545	1.0
185.05942	2.2
186.06750	22.2
187.07466	3.6
188.08334	5.9
189.09103	100.0
190.09601	2.1
191.07048	1.3
191.10643	7.2
201.09106	44.1
203.14221	4.7
217.91583	1.0
219.10153	81.2
219.17409	15.3
220.10510	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	Bitalin A
Peak:m/z	Relative Intensity
55.05498	2.6
57.03418	1.7
57.07073	1.3
67.05485	4.6
69.03422	2.7
69.07053	1.5
70.06585	1.0
75.04456	1.5
79.05476	4.3
81.03404	1.3
81.07042	4.3
83.04985	1.2
83.08574	1.6
84.08133	2.1
86.09698	1.6
91.05486	20.5
93.07024	3.9
95.08615	2.0
98.21464	2.1
98.97585	1.9
100.07585	1.6
103.03926	2.2
103.05475	6.2
105.07043	7.5
105.16504	1.1
107.08577	4.0
109.06505	1.7
110.07328	1.2
110.89069	1.0
114.62881	1.0
115.05458	14.8
116.06242	5.9
116.98612	2.8
117.07008	5.7
119.04924	2.1
119.08580	9.0
120.08126	1.2
121.05094	1.4
121.10166	7.9
123.08018	2.1
128.06221	15.6
129.07007	48.1
130.04115	2.0
130.07800	2.3
131.04933	13.3
131.08569	44.8
132.05655	1.4
133.06508	1.5
133.10129	8.1
134.99649	1.2
135.07996	1.3
135.11678	2.2
137.05980	4.3
140.06195	1.0
141.06989	39.9
143.04916	2.8
143.08545	4.6
144.05725	9.3
145.02859	1.4
145.06468	13.4
145.10120	3.1
146.06177	1.1
146.07225	5.2
147.04388	1.6
147.08017	2.1
147.11665	1.3
148.05156	1.6
155.04980	1.2
155.08524	1.6
156.05653	2.1
157.06480	27.5
158.07272	24.9
159.04436	5.5
159.08052	31.7
159.11693	2.4
160.05186	7.9
161.05904	2.3
161.09636	7.1
161.13257	3.9
163.03935	1.0
163.07518	3.1
163.11134	1.2
168.05632	2.2
169.06470	15.2
169.07646	1.5
170.07233	7.6
170.11012	1.3
171.04401	1.7
171.08055	2.2
173.05959	7.5
173.09596	3.6
174.06764	90.0
175.07515	10.9
175.11214	1.0
175.14833	2.0
176.04614	1.5
177.05458	2.3
185.05981	1.6
186.06749	20.2
187.07454	2.8
187.11246	2.0
188.08310	4.6
188.12010	1.5
189.09106	99.2
190.09473	2.2
191.07019	2.7
191.10652	7.7
201.05249	1.7
201.09108	40.2
203.14314	38.5
205.15836	1.5
219.06686	2.2
219.10149	76.7
219.13803	2.5
219.17432	100.0
220.10306	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.2
57.03431	1.7
58.68298	1.1
60.04532	1.3
61.02927	24.3
71.01354	42.4
71.02039	2.0
75.04480	64.0
76.08309	0.9
79.05477	1.3
80.35258	0.9
81.07034	1.7
85.02896	1.8
87.04466	23.1
89.02398	11.8
91.05438	1.2
94.49947	1.0
101.06002	1.5
103.03940	73.6
105.07019	1.6
116.98592	1.2
119.08557	3.0
121.10143	1.5
131.03404	13.9
133.10110	2.1
147.08101	1.0
159.02892	100.0
160.03094	1.0
161.04468	1.9
161.13260	1.5
187.02365	9.5
203.14326	13.4
219.04988	6.6
219.17439	36.3
222.38393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.4
55.05497	4.9
55.05742	1.1
56.05030	1.9
56.05838	1.3
56.96333	1.2
56.96567	14.2
57.03425	2.2
57.07062	1.6
58.06587	1.0
60.04513	3.5
61.02929	5.7
63.07796	1.1
63.35341	1.0
67.05507	2.3
67.60327	1.0
68.99773	4.1
69.03423	3.2
69.07059	3.5
69.90363	6.4
70.06582	4.6
70.98132	1.8
71.01358	25.9
71.04980	1.5
71.06915	2.2
72.08160	7.7
73.02904	3.2
74.06070	4.6
75.04480	7.8
79.05486	3.4
81.03405	2.6
81.07047	4.0
83.04985	1.6
84.04504	2.2
84.08147	5.7
85.02905	4.4
85.06520	1.9
85.08435	1.1
86.09698	8.7
87.04446	2.5
88.99174	1.6
90.05547	1.4
91.05477	4.2
93.07028	3.7
94.07401	1.0
95.04964	1.1
95.08588	1.6
97.02850	2.7
98.21424	1.8
98.97586	11.7
99.00746	1.4
101.02399	2.1
103.03938	8.9
105.07014	4.2
107.08594	3.4
109.02879	1.7
109.06516	1.4
110.09694	2.4
111.00160	1.5
111.00829	2.4
111.10008	3.3
114.00768	1.7
116.98625	8.7
117.01852	6.8
117.07011	1.6
119.01852	3.2
119.04917	1.5
119.08588	6.9
120.08125	1.3
121.01608	1.2
121.10144	7.1
123.08047	1.4
127.00259	1.7
127.01532	4.8
128.07022	1.3
128.98604	1.5
130.05006	1.7
130.06529	4.7
131.00168	1.0
131.01886	1.3
131.03421	12.9
131.08562	1.6
132.04449	3.8
132.10207	1.2
133.10179	7.4
134.99632	3.4
135.08113	1.2
135.11644	1.5
139.10350	1.1
143.08524	1.2
145.01364	3.5
145.04909	2.1
145.06480	1.6
145.10127	2.3
146.06027	5.2
146.99629	2.8
147.01355	1.8
147.04373	1.9
147.08058	1.3
147.11716	2.3
156.01738	1.2
157.05011	2.6
157.07594	3.2
158.06064	2.3
158.99710	1.2
159.01445	2.3
159.02888	17.7
161.09654	1.8
161.13255	4.4
165.00677	1.4
168.01801	4.9
173.09497	1.6
174.05574	2.2
175.02708	1.3
175.14861	2.5
177.00732	5.5
183.01961	1.1
185.13437	1.2
187.11230	1.4
188.11932	1.7
190.98633	3.9
195.01665	1.6
201.13190	2.2
203.14330	37.6
208.99611	1.2
219.01755	2.5
219.07959	2.1
219.17448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	3.1
56.05031	3.4
61.31219	1.9
69.66961	15.7
72.08157	21.5
77.14819	2.2
79.15251	2.4
81.03407	2.2
84.07632	4.8
84.08144	100.0
85.06544	2.5
86.09716	2.1
87.77991	1.9
90.09206	10.7
94.06570	99.2
119.08571	2.7
121.10177	2.4
130.08643	31.4
152.92116	2.3
156.13838	5.1
161.13264	2.4
170.10538	1.9
174.14946	5.0
196.04500	9.5
201.16049	3.2
203.14330	10.4
219.17310	54.8
220.04562	10.0
238.05675	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	214.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01871	0.4
55.05512	2.1
56.05027	1.6
56.96556	3.1
57.03443	0.9
62.40494	0.3
65.03953	0.3
67.05498	0.6
68.05005	0.5
69.03424	0.9
69.07065	0.4
70.02953	0.6
70.06586	9.3
70.06957	0.6
70.58588	0.3
70.95879	0.5
71.04990	0.5
71.06920	0.8
71.15057	0.9
72.08152	8.9
72.93773	1.2
79.05492	0.5
80.05008	0.5
81.03409	0.8
81.07056	0.8
82.06586	0.7
83.10274	0.3
84.04496	1.7
84.08138	10.4
84.95979	0.4
85.02889	0.8
85.08465	0.4
86.06041	0.6
86.09702	1.4
88.04015	0.5
88.07548	0.3
90.94827	1.3
91.05479	0.7
91.10813	0.3
92.69120	0.3
94.06573	0.5
95.04960	1.3
95.06062	0.4
96.04505	0.8
96.08126	1.7
97.02887	0.7
98.06035	0.7
98.09662	1.8
98.97575	0.8
100.07613	1.0
107.04955	0.6
108.04489	0.4
108.17018	0.3
108.95929	0.3
109.02914	0.4
110.06013	0.8
110.07159	1.0
110.09688	0.5
112.07571	0.8
114.09158	50.3
115.09452	0.8
116.07082	9.2
116.98627	1.0
122.06001	0.9
124.07586	0.4
126.05502	0.4
126.09121	0.7
127.08701	0.4
128.07095	0.5
128.98647	0.4
129.06544	0.3
130.04953	0.4
131.97466	0.5
132.95842	2.4
134.99649	1.5
136.07558	1.0
140.07086	0.5
140.10660	0.4
141.00044	0.8
142.08623	100.0
143.08998	1.6
144.05598	0.4
146.99626	0.7
150.05338	0.4
150.09172	0.4
150.95695	0.7
150.96878	10.5
153.00726	0.3
154.08540	0.6
155.97505	0.5
158.02597	0.4
161.01221	0.4
167.07048	0.5
167.97133	1.0
168.06465	0.4
168.10159	1.1
168.13820	0.7
168.97929	0.4
169.13304	0.4
170.11736	1.5
172.02774	0.4
186.11334	0.4
186.25754	0.3
187.07556	0.8
191.97095	1.6
192.49887	0.3
197.10278	0.4
209.98157	1.7
214.05103	0.4
214.08704	0.6
214.10690	2.3
214.14281	3.0
214.15945	0.4
214.21606	0.8
215.07030	0.8
229.38042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47165	0.7
53.03944	1.6
55.01853	1.1
55.05519	6.4
56.96562	9.5
57.03422	1.0
57.07068	4.6
67.05508	5.3
69.03448	1.0
69.06724	1.0
69.07072	10.7
69.60374	1.5
69.60780	5.7
70.06584	1.3
70.07374	0.7
71.04987	1.1
71.08631	1.6
79.05495	8.2
81.07062	5.9
83.04987	0.9
83.08611	3.9
84.01550	1.8
84.08122	2.1
88.07635	1.4
91.05472	13.1
93.07050	8.8
93.08402	0.8
95.04949	2.8
95.08609	3.1
97.06527	0.9
98.09657	1.0
98.97601	1.0
99.08076	1.0
100.07619	2.0
103.05447	3.3
105.07030	75.4
105.39749	0.7
107.08610	7.6
109.06488	1.1
109.10098	1.0
115.05429	2.3
117.07005	5.2
119.08580	58.7
121.06511	1.1
121.10143	12.9
122.54504	0.7
123.08009	1.3
128.06216	14.7
129.07013	11.6
130.07797	1.2
131.00174	1.7
131.08571	4.2
133.10127	7.4
134.99661	1.1
135.11650	0.8
137.01180	0.7
139.07542	1.3
141.06972	6.5
142.07787	22.8
143.08560	66.5
145.06491	1.2
145.10138	4.3
149.01205	5.8
152.06207	1.1
154.07735	1.5
155.08548	7.9
156.09337	21.1
157.10129	65.5
158.10722	2.5
159.11673	2.0
165.06999	2.4
167.02303	5.5
167.08566	2.0
168.02521	1.0
168.89139	0.8
169.10109	6.0
170.07350	1.4
170.10927	6.6
171.08000	2.2
171.11688	57.0
172.12166	2.8
180.09364	1.3
183.08073	2.5
183.11676	10.2
184.12436	2.7
185.09702	3.1
185.13240	8.3
195.11707	2.3
198.10310	3.8
198.14052	9.7
213.07376	1.2
213.09137	2.6
213.12775	11.6
213.16380	100.0
214.16803	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	213.1486
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03928	2.9
55.01877	20.2
55.05511	89.1
57.03419	2.0
57.07068	1.9
59.04980	3.1
65.03940	1.3
65.05930	1.1
65.46063	1.1
66.30353	1.3
67.05180	1.9
67.05506	27.7
69.03421	6.8
69.07072	15.2
69.93365	2.5
69.93777	4.4
70.06582	2.1
70.84808	1.2
71.04995	77.8
79.05061	1.7
79.05500	24.5
81.03411	2.6
81.07062	32.6
83.04967	4.7
83.08618	51.7
84.08141	2.1
85.02850	1.3
85.06548	6.9
87.04475	9.0
91.05490	7.8
93.07048	21.3
95.04930	2.6
95.08622	12.4
97.06532	100.0
97.10170	64.4
98.06865	1.8
98.09689	1.5
101.09676	1.5
105.07009	5.7
107.08592	25.5
109.06516	2.8
109.10152	16.3
111.08048	3.7
117.06995	4.2
119.08557	1.6
121.06529	3.1
121.10112	4.2
123.08030	2.0
125.09632	40.6
128.06230	1.6
129.06992	1.4
131.08615	6.8
133.10075	4.8
135.08023	5.4
135.11751	6.0
141.06924	1.5
142.07751	3.6
143.08511	4.2
147.11668	1.8
149.13235	5.2
153.09183	1.6
156.09172	1.3
157.10095	3.3
159.11694	4.6
167.08412	1.7
171.08003	1.7
171.10213	1.2
171.11633	2.5
177.12756	6.9
185.09552	2.8
189.11278	7.0
195.11929	2.3
195.13799	36.7
196.14102	1.8
213.05569	2.3
213.09094	4.3
213.12866	3.1
213.14825	76.2
213.16222	3.7
214.15236	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0909
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
53.03931	2.3
55.01864	0.9
55.05493	2.7
56.96570	6.7
57.03431	0.9
57.07077	0.9
65.03923	3.0
67.05504	2.3
69.03423	2.8
69.07053	2.8
69.60435	3.0
69.60874	3.2
70.06593	13.2
71.04998	1.3
72.07793	1.3
72.08155	13.1
76.08036	0.8
79.05503	3.7
81.03438	0.8
81.07044	2.2
82.06586	0.9
83.04980	0.8
84.04512	1.5
84.08141	4.3
85.02921	1.5
86.09705	11.2
88.07628	1.3
89.23759	0.8
91.05481	91.1
91.18258	0.8
92.05821	1.2
93.07050	1.9
95.04967	5.7
95.08587	0.9
97.02904	0.8
97.06512	0.9
98.97568	1.5
99.04460	0.8
105.03429	1.4
105.07001	0.8
107.04221	0.8
107.04956	14.9
109.06435	0.8
110.03635	1.4
111.04448	1.5
111.05558	1.0
116.07093	2.1
116.98625	3.0
119.04939	100.0
120.05759	8.9
121.02843	2.2
121.10155	1.0
123.04418	1.2
125.05987	3.8
128.06236	1.2
129.06920	1.1
134.99626	2.8
135.04411	2.0
139.08615	1.1
141.06960	1.3
143.08617	0.9
148.97337	3.2
151.03906	3.5
152.06203	7.4
153.05489	1.7
153.06773	1.0
157.06448	2.6
165.05478	2.2
165.06990	7.6
166.07745	2.3
167.03452	1.4
167.07040	5.2
167.08559	9.3
169.06494	1.5
170.07355	1.1
171.08008	1.3
174.00751	1.6
176.06232	2.1
177.06946	6.5
181.06468	1.2
185.09645	1.2
188.92392	1.0
189.01997	1.0
195.06442	1.5
195.08115	5.0
195.11266	2.4
198.06905	1.2
202.98625	1.1
213.05617	1.7
213.09122	13.8
213.12334	2.9
213.16075	1.4
213.18254	1.1
214.96275	0.8
223.98521	0.8
233.27318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94901	0.3
53.03943	0.3
55.01872	1.5
55.05503	0.7
56.05032	3.6
56.96563	8.7
57.03437	5.4
61.02927	4.5
67.05499	0.6
69.03431	3.6
69.07072	1.1
69.72182	2.4
70.06600	2.1
70.98143	0.6
71.04998	1.2
71.95264	0.6
72.08156	0.5
73.02910	3.6
74.97610	0.4
77.00864	0.5
80.88628	0.4
81.03426	2.0
82.06565	0.7
83.00771	0.5
83.01318	0.3
83.04992	0.5
83.06087	0.8
84.04497	0.8
84.08141	100.0
84.96034	1.1
85.02905	5.2
85.08470	1.4
86.03706	0.5
87.04462	0.6
88.03994	0.5
92.01309	0.5
96.04498	0.5
97.02889	3.2
98.01265	0.8
98.02453	0.4
98.97577	8.2
98.98205	0.7
99.04453	1.1
100.05234	0.5
101.00880	1.0
103.02471	0.8
107.01842	0.4
108.01533	0.3
109.02885	0.7
109.07656	1.0
110.01270	1.4
110.02390	1.3
110.07151	0.4
110.97571	2.3
111.09204	1.6
112.07610	4.5
113.02396	0.5
115.02458	0.6
116.98618	6.2
117.02009	0.6
118.01091	0.7
118.03548	0.4
119.01861	6.0
120.03307	0.4
121.01614	0.6
121.03438	0.5
124.03964	0.9
126.02557	0.5
127.03928	0.8
128.02319	3.0
128.98602	3.8
129.02905	0.4
131.00171	0.4
131.01837	1.9
133.01521	0.5
133.03441	1.1
134.99655	3.8
136.04686	0.3
137.02872	1.2
138.04285	0.4
138.09076	0.4
140.02316	0.7
142.03540	0.4
143.00139	0.8
143.01849	0.8
145.03470	0.9
145.05005	0.4
146.02267	0.6
146.99655	4.7
147.01366	0.7
149.01180	0.6
149.02849	0.6
152.02229	0.6
152.07085	0.4
153.00722	0.4
155.02843	0.7
157.03441	1.2
158.06653	2.7
158.99652	1.4
159.05054	0.4
160.97615	0.8
161.01198	1.2
161.02876	1.9
162.01782	0.4
162.99223	0.4
165.00742	1.3
166.08574	0.7
166.09818	0.4
169.02660	0.5
170.03110	0.6
170.06638	1.1
170.99661	1.5
173.01125	0.4
173.02899	0.6
175.04523	0.5
176.07697	3.6
177.00705	2.3
182.03271	0.4
184.04648	0.7
184.08206	5.2
185.02995	1.0
186.06003	0.3
188.07677	2.1
188.97078	0.8
189.00674	2.8
189.02361	0.8
191.03961	0.6
194.06558	0.9
201.00720	1.0
202.09273	2.9
203.04002	0.6
206.98111	1.2
207.01773	0.9
212.05586	0.8
212.07639	12.7
212.09206	0.5
212.10736	0.5
213.07825	0.8
217.05699	0.5
219.01791	1.3
219.18762	0.3
230.08733	23.1
231.08928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03952	1.5
55.01864	1.3
55.05272	1.6
55.05514	20.1
57.03412	2.5
57.07063	3.4
59.04981	3.2
65.03925	1.8
65.38101	0.9
67.05505	32.5
67.61437	1.0
67.90205	0.9
69.03426	10.6
69.07069	19.9
69.95876	3.8
69.96291	2.3
71.04972	4.1
72.50233	0.9
79.05499	9.2
81.03423	8.3
81.07055	36.3
83.04987	17.6
83.08624	11.6
85.06529	3.6
91.05475	8.6
91.08340	0.9
93.07040	14.5
95.04966	7.1
95.08609	44.0
97.06526	2.1
97.10168	2.4
99.08074	3.5
103.05451	1.1
105.07021	10.7
107.08597	26.9
107.87880	1.2
109.06511	14.1
109.10156	100.0
111.04447	1.5
111.08065	3.7
119.08584	23.2
121.10141	12.7
123.08061	14.4
123.11704	8.7
125.09652	2.5
127.11222	1.2
129.06976	1.0
131.08574	1.3
133.10123	20.2
135.11694	58.3
137.09616	15.5
139.11168	3.0
147.08055	1.2
147.11630	1.7
149.13223	4.8
151.11176	12.3
151.14793	11.8
153.12704	2.7
165.16354	2.8
167.07036	4.6
175.14816	16.4
185.81540	1.0
193.12292	2.5
193.15889	13.0
211.13240	1.1
211.16890	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01869	2.6
55.05510	25.5
57.03425	6.5
57.07075	6.9
58.98000	1.4
59.04993	3.1
65.03928	2.5
67.05130	2.1
67.05503	41.8
69.03427	16.0
69.07063	24.0
70.29662	5.4
71.04990	15.3
71.08632	2.5
72.08154	2.3
77.03909	1.6
79.05501	18.9
81.03423	24.2
81.07056	49.4
83.04980	24.6
83.08618	21.7
84.08134	3.6
85.06538	8.8
85.10210	1.5
91.05475	22.7
93.07043	25.0
95.04979	15.8
95.08606	53.0
97.02881	2.1
97.06542	7.0
97.10168	4.8
98.06022	1.8
99.04468	1.6
99.08096	6.7
100.07590	2.2
103.05458	1.9
105.07029	19.9
106.04171	1.8
107.08596	37.0
109.06525	18.6
109.10157	100.0
110.10498	1.8
111.08097	6.6
113.09618	1.6
115.05492	1.4
117.07015	1.4
117.14987	1.2
118.33348	1.2
119.08588	32.0
121.06483	2.9
121.10136	16.3
123.04441	6.7
123.08076	18.0
123.11707	17.5
125.06013	2.0
125.09599	6.7
127.07542	3.2
127.11189	2.4
129.06999	4.3
131.08580	3.9
133.06441	1.7
133.10136	27.1
135.11685	65.6
137.06003	4.1
137.09608	16.0
139.11211	3.0
140.10645	2.0
141.09137	1.8
147.04382	2.0
147.11702	5.1
149.05942	3.7
149.09534	1.6
149.13289	5.5
151.03905	2.4
151.07533	2.2
151.11159	10.2
151.14795	9.4
153.06993	1.3
153.12732	4.5
155.08548	3.6
157.10181	3.3
162.80441	1.2
163.97737	2.0
165.05481	3.8
165.09140	1.6
165.16409	3.0
167.07056	13.9
168.05823	1.7
168.08092	2.1
169.10185	4.8
175.11205	4.1
175.14825	21.7
179.07077	2.2
193.04967	3.3
193.08632	2.7
193.12263	5.9
193.15866	13.9
196.08931	1.6
209.35847	1.3
211.07600	2.6
211.09464	2.2
211.11348	2.4
211.13101	2.8
211.14865	5.3
211.16965	6.9
212.07106	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03935	2.9
55.01866	1.7
55.05512	22.1
57.03440	2.5
57.07071	6.1
59.04985	2.7
67.05505	35.9
69.03431	10.6
69.07069	19.1
71.04978	3.7
71.58359	2.0
71.58720	1.2
72.08144	2.2
79.05480	10.2
81.03422	8.9
81.06589	2.2
81.07056	40.9
82.50912	1.0
83.04977	17.2
83.08615	11.6
84.08121	2.0
85.06535	4.9
87.58460	1.1
91.05475	11.1
91.25008	1.1
93.07040	15.8
93.18027	1.2
93.67879	1.1
95.04977	8.7
95.08607	50.6
97.06499	2.9
97.10167	4.4
99.08090	6.3
100.07651	1.2
103.05466	1.2
105.07043	10.1
107.07874	1.9
107.08588	27.8
109.06525	13.3
109.10154	100.0
110.10494	2.1
110.70136	1.1
111.08085	6.1
112.11267	1.3
113.06034	1.4
113.09614	1.6
117.07023	1.2
119.08575	27.1
121.06503	1.9
121.10120	14.9
123.04424	1.4
123.08074	16.4
123.11713	10.2
124.79583	1.1
125.09608	2.3
128.06264	1.4
129.07019	2.1
131.08577	2.6
133.10126	22.0
133.74532	1.0
135.11693	62.8
137.06030	1.3
137.09625	16.9
138.10335	1.4
138.18745	1.1
139.11139	3.5
140.10669	3.5
147.11684	2.9
149.05983	1.3
149.13248	7.4
151.11188	13.4
151.14835	10.2
153.06940	1.5
153.12735	2.6
157.10139	1.5
163.14789	1.6
165.12827	1.5
165.16417	1.8
167.07028	10.9
169.10208	1.9
175.11241	2.0
175.14830	21.2
193.12135	1.5
193.15904	14.7
196.05203	1.7
211.07629	1.8
211.09578	1.5
211.14963	2.5
211.16920	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	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.02370	1.7
53.03945	5.4
53.67897	1.5
55.01864	6.6
55.05511	36.1
55.05773	1.2
56.96573	2.6
57.03439	10.6
57.07059	8.5
59.05004	18.0
65.03944	4.3
67.05499	34.2
69.03425	9.9
69.07067	33.3
69.41641	17.1
71.04990	88.2
73.06557	2.3
78.04735	1.9
79.05492	29.4
81.03411	29.9
81.06580	4.2
81.07053	66.2
83.04973	20.2
83.08620	27.7
84.08141	6.6
85.02908	3.1
85.06544	10.6
91.05482	29.8
93.07045	52.9
95.04970	18.9
95.08601	67.7
96.08189	1.8
97.02878	3.3
97.06517	32.0
97.10175	5.4
98.20754	2.8
98.21421	4.3
99.04458	22.2
99.08106	13.8
100.06316	1.8
100.07634	2.9
103.05476	3.9
105.03391	2.4
105.07030	32.4
107.04980	3.4
107.08594	50.4
109.02885	2.9
109.06526	13.0
109.10157	27.4
111.08080	10.5
112.11201	2.7
113.09671	2.1
115.07579	18.9
117.07027	1.9
119.08575	45.1
121.06514	3.6
121.10152	24.0
123.04436	5.2
123.08043	12.1
123.11702	66.7
124.05176	2.2
125.09646	10.6
127.07558	6.0
129.07004	3.2
131.08574	5.0
133.06519	2.7
133.09129	3.0
133.10126	48.9
133.11092	3.4
135.11685	100.0
137.05984	4.2
137.09589	11.2
137.13254	3.1
141.09100	11.4
141.12761	6.3
147.11678	7.4
149.05972	5.2
149.09610	3.2
149.13231	8.7
151.03859	3.4
151.07571	3.2
151.14821	2.1
152.04675	2.1
153.07024	2.2
153.12747	18.6
155.08449	1.7
155.10652	6.1
157.10091	5.2
165.05482	4.2
165.06903	2.2
165.09091	2.4
167.07045	55.4
167.14325	2.4
168.08163	1.9
169.10155	4.0
175.11191	4.7
175.14822	55.3
181.08549	2.7
181.10097	2.2
183.08040	2.1
183.11668	2.2
184.09631	3.1
193.08641	3.0
193.12213	6.1
193.15855	12.8
196.12512	2.0
211.07578	2.6
211.11383	2.3
211.13081	2.2
211.14857	5.1
211.16885	36.0
211.18803	3.0
232.64880	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03944	3.6
53.39376	1.0
55.01865	3.2
55.05513	26.9
57.03435	3.3
57.07080	4.3
59.05001	3.0
65.03938	2.1
67.05505	42.0
69.03433	14.3
69.07066	20.0
70.89874	2.9
71.04996	6.5
71.08630	1.1
79.05492	14.7
81.03416	24.1
81.07059	40.6
83.04487	1.5
83.04981	25.2
83.08620	18.1
84.08154	1.6
85.06542	4.0
86.24474	1.0
91.05482	15.4
93.07043	18.7
95.04965	11.2
95.08609	45.8
96.37955	1.2
97.02906	1.4
97.06544	4.1
97.10148	5.1
99.04476	1.2
99.08081	4.4
103.05490	1.3
105.07038	16.5
107.04980	2.7
107.07867	1.8
107.08595	32.2
107.09301	1.8
108.05766	1.1
109.02851	1.0
109.06519	16.1
109.10157	100.0
110.10487	2.1
111.04446	1.1
111.08094	7.8
112.07644	1.1
113.09669	1.9
115.05402	1.2
117.07014	1.5
119.08588	25.6
121.06509	2.0
121.10156	13.5
123.04425	2.4
123.08064	16.7
123.11688	9.7
125.09634	4.8
129.07022	3.0
131.08592	4.8
133.06444	1.1
133.10136	21.8
135.11693	64.6
135.35965	1.0
136.91289	0.9
137.05972	1.9
137.09624	16.8
139.11191	2.1
140.10692	2.7
141.09146	3.4
147.07982	1.2
147.11737	4.4
149.05981	1.6
149.09686	2.1
149.13268	4.9
151.07513	0.9
151.11189	11.9
151.14827	12.4
153.12773	2.4
157.10153	3.4
159.54453	0.9
165.16365	1.8
167.07051	10.4
175.11217	3.9
175.14804	18.2
176.15324	1.2
193.08607	1.6
193.12247	6.9
193.15909	15.2
211.09531	1.0
211.13297	3.3
211.16832	1.2
230.83755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03955	6.0
55.01873	8.2
55.05511	46.8
56.85570	1.0
56.96564	2.6
57.03438	11.7
57.07062	2.5
59.05006	2.2
65.03942	2.8
67.05503	36.7
69.03424	14.0
69.07072	14.0
69.88776	5.6
70.06580	1.5
71.04996	6.6
71.08642	1.2
78.04697	1.0
79.05494	41.4
79.19088	1.1
81.03418	100.0
81.07058	42.2
83.04984	50.6
83.08619	32.1
84.08134	3.3
85.02912	2.9
85.06540	4.5
86.69798	0.9
91.05484	40.1
93.03393	1.4
93.07048	21.4
95.04970	37.1
95.08601	19.5
97.02879	4.4
97.06549	5.8
97.10166	7.7
98.20834	1.1
98.21378	1.5
98.97611	1.2
99.04442	2.6
99.08071	2.1
100.07625	2.5
103.05491	1.7
104.16175	0.9
105.03465	1.0
105.07030	26.7
107.04964	8.8
107.08593	12.7
109.06512	9.9
109.10150	7.3
111.04451	4.2
111.08079	9.8
112.11282	1.6
113.06020	1.1
115.05454	2.1
117.07022	2.1
119.04913	1.8
119.08586	23.8
121.06501	3.9
121.10159	8.6
122.05882	0.9
123.04426	3.9
123.08066	5.2
123.08907	0.9
123.11721	2.8
124.05209	0.9
125.02414	0.9
125.06041	1.1
125.09637	4.1
128.06256	1.1
129.07018	11.2
131.08569	12.3
131.09486	1.3
133.06491	3.4
133.10146	11.3
135.11691	2.6
136.06195	1.7
137.05978	2.3
137.09641	3.4
140.10677	1.8
141.07028	2.2
141.09131	2.7
142.07808	2.6
145.10135	2.3
147.08086	3.7
147.11703	13.3
149.04921	0.9
149.06017	2.8
149.09607	6.6
151.03926	2.2
151.06482	1.6
151.07550	1.5
151.11227	2.3
155.08578	3.3
157.10112	13.0
157.11084	0.9
163.97798	1.2
165.05563	1.2
165.06952	1.3
165.12779	3.9
167.07047	16.3
167.08444	1.6
168.05692	1.2
168.07329	1.5
169.10158	4.0
172.49451	1.0
175.01573	1.1
175.11203	11.9
175.14784	1.3
179.07031	3.3
181.08614	1.7
181.10081	2.3
183.11690	1.9
184.09674	1.2
193.10434	1.8
193.12247	24.9
196.12511	1.9
205.98894	1.6
211.07565	2.3
211.09430	1.6
211.11198	3.4
211.13292	9.0
211.14925	3.1
229.07471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03954	4.9
53.04167	1.0
55.01870	6.6
55.05513	39.2
56.01876	0.8
56.96563	1.7
57.03443	9.0
57.07082	1.2
59.04982	1.5
63.07474	0.8
65.03932	1.9
67.05506	31.5
67.10598	0.9
69.03428	13.4
69.07070	12.4
69.46223	4.7
69.46657	3.0
71.04980	6.4
79.05499	32.6
81.03421	100.0
81.07060	43.7
82.03765	1.5
83.04984	48.6
83.08148	1.9
83.08623	32.2
84.05331	0.9
84.08141	1.1
85.02906	1.2
85.06534	4.2
91.05484	37.1
93.07053	20.7
95.04974	36.2
95.08617	15.6
97.02928	4.5
97.06529	6.0
97.10168	7.3
99.04471	1.8
99.08085	2.1
100.07652	1.1
102.31060	0.9
105.07033	26.3
106.04168	0.7
107.04967	6.9
107.08596	10.7
108.54032	1.0
109.06545	6.3
109.10158	5.5
110.57362	0.8
111.04440	2.5
111.08084	10.1
113.06046	0.9
115.05418	1.8
117.06997	2.6
119.04903	1.2
119.07803	1.3
119.08586	18.0
121.06510	2.9
121.10159	8.7
123.04424	1.5
123.08057	3.6
123.11697	2.2
125.05978	1.0
125.09612	2.6
127.07528	1.5
129.07019	11.8
131.08578	13.6
133.06541	4.3
133.10138	10.3
135.11694	2.0
137.05948	1.4
137.09624	3.0
142.07777	4.4
145.10152	1.3
146.12177	1.0
147.04506	0.9
147.08047	3.7
147.11694	12.3
149.05957	1.0
149.09647	8.3
151.07535	1.1
151.11206	2.0
155.08563	3.4
157.10132	16.6
165.12756	2.6
167.07062	11.0
167.08476	1.8
169.10149	3.5
175.11195	14.9
175.14755	0.8
181.08591	1.3
181.10139	2.7
183.11729	1.5
187.27884	0.9
193.12247	27.6
196.12497	3.5
203.56921	0.9
211.11340	1.4
211.13087	9.5
211.15021	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	210.9407
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57379	41.3
79.05807	25.3
94.93004	61.1
99.67086	24.1
105.84697	23.7
112.89634	73.5
116.05556	25.7
130.54364	21.1
142.03494	59.8
150.91948	36.4
160.04584	100.0
210.89397	59.3
210.94104	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
54.11882	1.0
55.01875	2.4
55.05503	3.1
56.96578	5.1
57.03420	2.2
63.74312	1.0
65.03928	2.1
67.05492	5.1
68.99768	2.2
69.03413	3.0
69.07062	2.6
70.06580	3.1
71.04284	2.2
71.05005	1.5
72.08157	1.7
73.02910	1.9
76.95273	1.0
78.04707	5.3
79.05503	5.6
81.03406	5.6
81.07051	5.4
83.04967	1.9
83.06084	1.7
83.08617	1.2
84.08138	2.9
85.02906	1.7
85.06547	1.5
91.05476	18.7
91.10957	1.1
92.42606	1.0
93.07041	13.6
94.06511	1.0
95.04971	9.7
95.06083	3.8
95.08614	3.9
96.53797	0.9
97.02882	2.8
97.07688	1.3
97.86103	0.9
98.21561	1.0
98.97574	2.6
99.04441	1.2
103.05473	11.9
105.03431	2.3
105.07018	5.0
106.04173	2.9
107.04970	2.5
107.08566	1.2
109.02879	3.0
109.06519	2.9
109.10167	1.6
110.02393	2.0
110.07099	1.2
113.07075	1.1
116.98647	1.4
119.08526	1.1
121.02888	1.4
121.06505	19.1
122.06008	1.5
123.04436	14.5
124.05286	5.1
125.06025	1.2
125.07014	1.0
127.03938	2.0
127.04944	1.2
131.05989	1.1
133.06480	4.1
134.03664	1.2
134.99600	1.8
135.04330	1.3
137.02339	4.1
137.05980	2.8
139.07574	1.5
141.05411	1.2
145.96712	1.4
146.99593	1.2
147.04419	2.8
149.05975	30.9
150.06374	1.1
151.03888	6.7
151.07509	1.6
152.04680	2.6
158.99577	1.3
161.05984	3.2
163.17528	1.0
163.97722	4.2
165.01878	2.5
165.05464	1.8
166.06232	7.4
166.08617	1.0
167.07037	100.0
168.07411	2.3
169.10124	1.1
180.07826	1.3
181.08597	25.5
181.98763	2.9
183.02893	2.8
184.09688	2.1
193.04974	2.3
205.98758	4.9
211.02368	19.3
211.05682	2.1
211.14424	1.7
212.71977	1.1
229.00198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.01867	1.1
55.05503	1.1
56.05028	0.8
56.96561	2.1
60.04523	0.6
61.08287	0.4
62.06089	0.5
67.05504	1.1
68.05018	0.9
69.07056	1.3
70.06583	2.0
71.04968	0.6
72.04504	1.6
72.23426	0.4
79.05492	3.6
81.03415	1.1
81.07037	1.3
83.04987	0.5
84.04509	0.7
84.08121	2.6
85.02900	0.7
86.09658	0.5
87.67026	0.5
88.03984	1.9
91.05479	6.6
92.05835	0.5
93.07038	1.7
94.07418	0.6
95.04964	1.7
97.02915	0.8
97.07597	0.5
98.97575	0.5
103.05467	6.9
105.07038	8.7
107.04961	2.2
109.02851	0.9
110.06052	0.5
116.98587	1.0
117.05796	2.2
117.07024	3.4
118.06549	4.7
119.07330	6.5
119.08580	1.1
120.08110	10.1
121.06493	0.6
122.06006	0.5
122.09737	0.5
123.04401	1.2
128.06201	1.2
129.07007	6.8
130.06451	0.8
131.04901	1.5
131.07295	1.7
134.99620	1.1
136.07593	0.8
138.09192	2.4
144.08078	1.2
145.06419	0.6
146.09648	7.0
149.01180	0.5
149.05980	0.6
150.06451	0.7
151.07547	0.7
156.58101	0.5
163.97713	0.8
164.07066	1.5
164.10715	100.0
165.11082	2.2
166.08655	0.8
167.07005	1.6
178.05788	0.7
181.98865	0.8
182.08171	1.0
182.11708	0.4
192.10284	1.1
195.96977	0.4
205.98750	1.5
208.04240	0.7
210.05676	0.7
210.07596	0.6
210.11217	9.7
210.15164	0.8
211.05530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.08316	1.7
51.02383	3.9
53.03949	11.6
55.01666	1.6
55.01882	21.9
55.05517	31.1
56.65036	1.7
56.96578	1.8
57.03447	10.9
57.07078	7.9
59.04995	4.4
64.63255	1.4
65.03944	20.7
67.05510	23.0
68.87210	1.5
68.99792	2.5
69.03434	11.1
69.07068	21.9
71.03217	3.7
71.05006	17.6
72.08157	1.6
75.04485	12.9
78.04710	15.6
79.05502	33.4
81.03401	8.5
81.07065	34.4
82.04205	1.7
83.04986	19.9
83.08616	9.5
85.02895	7.8
85.06548	7.5
89.03937	7.7
89.06049	4.0
91.05486	73.4
92.05780	3.6
93.03411	27.0
93.07049	54.2
94.06621	2.0
95.04975	83.3
95.08617	23.4
96.05753	1.6
97.02912	2.6
97.06537	28.2
97.10173	20.8
99.04448	10.3
99.08097	7.3
103.05476	29.4
105.03422	2.5
105.04504	4.9
105.07039	23.9
106.04178	83.0
107.04971	16.5
107.08601	55.5
107.09196	1.1
109.06520	60.1
109.10155	23.1
111.04443	5.7
111.08102	14.0
115.05428	2.2
117.03395	5.9
117.07025	4.4
119.04943	9.0
119.08590	12.7
120.05766	2.1
121.06512	94.2
121.10149	35.2
122.07290	1.9
123.04436	6.7
123.08067	18.6
123.11726	5.9
124.05230	3.4
125.05994	24.0
125.09637	18.1
126.59573	1.7
127.07580	2.1
131.04958	14.6
131.08572	16.7
133.02838	3.1
133.06511	3.3
133.10141	25.4
134.03648	15.0
134.53523	1.6
135.04428	7.4
135.08075	19.3
135.11688	9.4
137.05995	13.8
137.09599	9.6
138.06760	6.1
139.07571	7.0
139.11180	5.3
143.08554	4.0
145.02878	10.7
145.10149	8.5
146.06015	2.8
147.04420	6.0
147.11702	10.8
148.05231	10.6
149.05992	100.0
149.09619	40.3
149.10733	3.1
149.13257	23.2
150.06387	1.7
151.03897	2.7
151.07565	4.9
151.11191	25.4
153.05507	7.4
153.09106	47.6
158.10918	2.5
159.04404	4.7
161.09593	1.9
162.03154	1.9
163.03983	2.1
163.07585	6.7
163.11232	8.3
163.14819	11.7
165.05569	3.3
165.12750	2.8
166.06290	3.4
167.07071	10.3
167.14374	4.7
170.53650	1.8
173.09700	2.3
173.13283	16.8
176.04726	2.1
177.05493	49.3
178.05846	2.4
181.08594	18.8
191.07072	7.7
191.10715	3.2
191.14325	38.4
194.05846	3.8
209.04478	3.4
209.08113	25.4
209.11694	3.2
209.15367	52.4
209.17348	3.1
228.61066	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.24736	0.8
52.24982	0.8
53.03943	4.6
55.01869	10.4
55.05510	21.6
56.96559	6.5
57.03442	5.5
57.07070	5.0
59.04985	2.0
61.02896	0.9
65.03931	7.5
67.05502	18.6
69.03425	14.1
69.07064	24.2
70.06578	1.3
71.04593	1.3
71.04987	23.5
71.57302	1.0
72.08154	0.9
75.04452	2.5
77.03911	1.7
78.04697	3.5
79.05489	46.3
81.03391	2.7
81.07056	20.9
81.82407	0.8
83.01280	1.3
83.04980	31.8
83.08618	9.3
84.08146	1.3
85.02883	3.2
85.06543	3.7
89.03905	1.5
89.06017	0.8
91.05476	45.7
92.05797	1.3
93.03406	5.9
93.07039	69.6
94.06577	1.1
94.07317	0.9
95.04965	62.4
95.08604	11.2
96.05296	0.9
97.02872	1.4
97.06525	12.9
97.10136	2.5
98.97534	1.1
99.03891	1.0
99.04455	7.9
99.08093	1.3
103.05460	9.2
105.04494	1.1
105.07027	29.7
106.04160	16.2
107.04311	1.1
107.04961	20.7
107.08589	67.1
108.05733	1.0
108.08936	0.8
109.02885	1.1
109.06515	35.4
109.10144	11.4
111.04456	5.1
111.08068	5.8
113.05978	0.9
115.05357	1.1
116.06247	1.4
116.98573	1.0
117.03350	1.7
117.07030	7.7
119.04935	8.1
119.08575	12.1
120.05814	1.0
121.02876	1.5
121.06500	40.4
121.10136	100.0
122.10435	1.2
123.04410	2.3
123.08046	9.8
123.11700	5.3
125.05982	9.7
125.09620	14.8
127.07558	1.1
128.17384	0.9
129.06998	3.9
130.07756	2.3
131.04941	5.8
131.08562	69.6
132.05455	0.9
132.08900	1.3
133.02827	1.5
133.06476	1.2
133.10121	12.4
134.03630	4.2
135.04381	4.2
135.08046	10.8
135.11700	8.9
137.05972	3.9
137.09605	1.7
138.06714	1.7
139.07584	4.4
139.11172	2.1
141.05476	2.4
143.00169	1.3
143.08430	1.0
145.02832	2.0
145.10120	29.4
147.04399	16.5
147.08020	3.7
147.11674	3.8
148.05211	5.6
149.02420	1.1
149.05975	24.7
149.09608	57.3
149.13228	5.8
150.05305	0.8
150.10028	1.0
151.02753	0.9
151.03897	1.2
151.07483	2.1
151.11156	10.3
152.38261	0.9
153.05490	11.0
153.06657	1.4
153.07924	1.4
153.09093	23.7
155.08566	0.9
158.10881	1.5
159.04463	1.6
161.01205	2.8
163.03867	3.3
163.07530	4.1
163.11182	21.4
163.14813	15.5
165.05522	1.0
165.09085	2.7
165.12715	2.9
166.00807	1.7
166.06277	3.7
166.07500	0.9
167.07039	5.8
167.10696	4.2
167.14317	11.8
173.09578	3.1
173.13260	7.0
176.04539	1.0
177.05492	14.7
178.06204	4.1
179.03349	2.3
180.15158	0.8
181.08626	4.9
181.12198	0.9
185.01176	1.4
189.00653	0.9
191.06966	2.6
191.10658	20.0
191.14297	26.1
194.00299	8.2
194.02089	2.5
194.05746	5.4
204.41940	0.8
209.02631	5.5
209.04417	3.7
209.06235	1.0
209.08136	12.0
209.11723	27.8
209.15334	30.6
210.11229	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	209.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
55.01872	19.3
55.05509	17.1
57.03433	9.0
57.07076	7.3
58.92136	1.7
59.05003	7.3
65.03937	16.7
67.05506	26.1
68.99791	5.0
69.03428	16.3
69.07068	25.2
70.43519	2.8
70.43918	5.3
71.04999	9.6
75.04485	12.4
77.03935	1.9
78.04708	16.0
79.05488	30.9
81.03404	9.2
81.07059	36.4
82.41376	1.6
83.04979	29.2
83.08620	9.4
85.02901	10.1
85.06558	9.2
89.03926	9.5
89.05966	1.9
91.05483	67.8
92.05803	2.1
93.03401	28.9
93.07043	56.1
95.04366	2.1
95.04969	37.1
95.08613	27.4
96.05764	1.5
97.06530	23.4
97.10168	4.9
98.21109	3.0
99.04451	4.4
99.07510	1.6
99.08102	22.7
103.05469	28.0
105.03417	2.8
105.04530	3.6
105.07030	28.1
106.04174	81.7
107.04967	11.0
107.08591	62.7
108.05766	2.0
109.06523	27.5
109.10162	21.9
111.04443	8.3
111.08072	10.4
113.05992	1.6
117.03368	4.6
117.07014	4.6
118.04180	2.9
119.04950	8.7
119.08568	9.7
120.05698	1.7
121.06506	96.0
121.10138	43.8
122.07281	2.7
123.04410	5.8
123.08061	23.5
123.11715	11.5
124.05207	4.0
125.05994	30.6
125.09618	25.6
125.13265	2.0
129.07022	2.0
131.04918	10.6
131.08575	20.4
133.02835	3.4
133.06435	2.1
133.10117	21.0
134.03650	15.6
135.04419	6.0
135.08080	18.1
135.11653	8.0
136.04808	1.4
137.05963	11.7
137.09616	10.6
137.13274	2.1
138.06728	4.7
139.07558	19.2
139.11156	4.9
143.08575	2.5
145.02835	5.8
145.10085	11.3
147.04387	4.4
147.11679	9.6
148.05186	12.6
149.05986	89.9
149.09619	100.0
149.13248	25.5
150.06323	1.9
151.03937	1.9
151.07500	3.0
151.11182	52.3
153.05467	6.8
153.07919	2.1
153.09100	34.4
154.09818	3.3
158.10901	2.4
159.04393	3.6
162.03111	2.5
163.03914	1.9
163.07556	5.2
163.11177	9.4
163.14787	12.2
165.12767	23.8
166.06235	6.0
167.07057	8.8
167.14395	2.3
173.13280	17.1
176.04610	2.4
177.04056	2.9
177.05481	45.0
181.08617	16.5
182.09131	1.9
191.07024	4.7
191.10663	1.6
191.14320	26.5
194.05769	2.1
209.08125	21.8
209.09990	2.6
209.11800	5.6
209.15359	59.7
209.17400	3.3
210.15652	1.6
216.27528	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	6.1
55.01867	10.5
55.05506	14.4
56.73983	1.1
56.96545	2.3
57.03439	6.8
57.07053	3.1
58.68581	1.2
59.04977	2.2
60.54914	1.0
65.03654	1.1
65.03937	13.2
67.05498	18.0
69.03426	7.8
69.07062	9.9
69.70446	6.7
71.04987	13.5
71.90532	1.0
75.04472	7.7
77.03902	1.9
78.04707	10.3
79.05491	26.1
81.03382	4.0
81.07055	14.3
81.22264	1.1
82.04180	1.8
83.04976	16.8
83.08611	6.2
85.02894	8.4
85.06527	4.9
89.03896	6.4
89.06018	2.2
91.05478	44.9
93.03406	21.7
93.07039	32.3
93.07625	1.5
93.16765	1.0
95.04965	100.0
95.08607	10.3
96.05725	1.2
97.06535	19.6
97.10163	4.8
99.04456	15.2
99.08086	2.2
103.05462	16.8
105.03376	3.9
105.04491	3.0
105.07033	14.0
105.23874	1.1
105.24569	1.3
106.04170	57.7
107.04967	16.4
107.08585	26.4
108.05740	1.2
109.06513	35.5
109.10146	11.0
110.03612	2.0
111.04446	5.3
111.08079	8.6
112.53627	1.1
113.05984	1.4
117.03379	3.0
117.06978	5.5
118.04140	1.5
119.04927	5.8
119.08585	8.8
120.05713	2.0
121.02872	1.4
121.06499	67.3
121.10129	19.5
123.04415	4.4
123.08054	8.2
123.11710	1.6
124.05190	1.5
125.05981	18.8
125.09616	17.4
127.03922	1.1
129.06992	2.3
129.13170	1.2
131.04930	5.9
131.08556	29.2
133.02843	2.5
133.06477	2.2
133.10118	13.0
134.03613	10.0
134.20393	1.1
135.04431	4.5
135.08041	11.0
135.11664	4.0
137.05975	8.3
137.09627	1.9
138.06735	3.6
139.07515	6.1
139.11151	1.4
141.05486	1.3
143.08539	2.2
145.02827	4.4
145.06549	1.1
145.10106	15.4
147.04419	8.6
147.08046	3.0
147.11708	2.5
148.05214	7.6
149.05974	69.1
149.09613	42.8
149.13249	6.0
149.93477	1.2
150.10123	1.4
151.03874	3.3
151.07501	4.5
151.11174	11.7
153.05479	6.9
153.09094	47.3
158.10909	1.3
159.04372	3.0
161.01126	1.3
163.03865	2.4
163.07513	6.3
163.11160	12.2
163.14793	5.1
165.05429	2.4
165.09187	5.9
165.10344	1.4
166.06230	2.6
166.07660	1.4
167.07028	4.2
167.10667	5.0
167.14273	3.1
173.09619	3.4
173.13257	9.6
176.04636	1.2
177.05464	33.2
178.06010	1.8
181.08594	11.9
191.06984	3.6
191.10667	18.3
191.14276	22.3
194.05714	3.3
209.04379	2.9
209.08073	16.0
209.11681	18.9
209.13397	2.2
209.15352	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.76977	1.5
53.03945	9.7
55.01871	11.0
55.05509	64.5
57.03436	5.8
57.07076	3.3
59.05001	4.0
65.03939	13.7
67.05505	19.2
68.06941	1.7
68.15781	1.7
68.99794	1.8
69.03431	9.6
69.07063	9.2
69.62053	1.8
69.70810	13.1
71.04996	5.5
75.04475	8.4
77.13442	1.6
78.04704	12.2
79.05499	18.9
81.03405	3.2
81.07051	18.7
82.04208	2.6
83.04978	100.0
83.08611	27.8
85.02915	8.2
85.06547	2.0
85.68015	1.8
89.03903	8.5
91.05480	54.7
93.03410	23.0
93.07041	35.2
95.04967	50.0
95.08611	12.8
97.06525	19.0
97.10164	5.9
98.21545	1.9
99.04447	5.4
103.05459	25.4
105.03365	2.3
105.04497	3.4
105.07026	8.3
106.04172	60.8
107.04974	10.3
107.08591	39.9
108.05742	4.6
109.06515	31.8
109.10149	21.5
111.04467	4.2
111.08085	7.3
117.03390	5.8
117.07041	1.9
119.04935	5.5
119.08581	4.2
120.05537	1.7
121.06501	84.4
121.10138	40.8
123.04430	3.9
123.08085	6.3
123.11709	9.5
124.05189	2.7
125.05975	18.5
125.09621	13.7
131.04932	15.3
131.08521	9.0
133.02788	3.0
133.10098	10.0
133.86432	1.7
134.03621	14.8
135.04390	6.8
135.08047	3.8
135.11708	5.2
137.05968	10.8
137.09589	2.6
138.06764	16.6
139.07558	6.5
145.02850	4.3
145.10124	5.3
147.04419	5.6
148.05186	13.7
149.04790	4.6
149.05978	87.9
149.09677	9.3
149.13264	7.7
150.06346	4.5
151.07582	5.1
151.11177	27.9
153.05487	6.4
153.09108	22.4
159.04416	4.7
163.03961	2.1
163.07568	5.2
163.11154	3.9
163.14864	8.4
166.06267	5.0
167.07063	12.1
167.14313	56.6
173.13182	3.6
176.04735	3.0
177.05482	46.5
178.05939	2.2
181.08586	14.4
191.07094	5.0
191.10707	5.3
191.14233	8.7
194.00281	2.9
194.05754	2.7
209.02710	4.4
209.04539	5.3
209.08055	24.8
209.09735	2.0
209.11726	5.8
209.15393	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	7.8
55.01872	19.3
55.05509	17.1
57.03433	9.0
57.07076	7.3
58.92136	1.7
59.05003	7.3
65.03937	16.7
67.05506	26.1
68.99791	5.0
69.03428	16.3
69.07068	25.2
70.43519	2.8
70.43918	5.3
71.04999	9.6
75.04485	12.4
77.03935	1.9
78.04708	16.0
79.05488	30.9
81.03404	9.2
81.07059	36.4
82.41376	1.6
83.04979	29.2
83.08620	9.4
85.02901	10.1
85.06558	9.2
89.03926	9.5
89.05966	1.9
91.05483	67.8
92.05803	2.1
93.03401	28.9
93.07043	56.1
95.04366	2.1
95.04969	37.1
95.08613	27.4
96.05764	1.5
97.06530	23.4
97.10168	4.9
98.21109	3.0
99.04451	4.4
99.07510	1.6
99.08102	22.7
103.05469	28.0
105.03417	2.8
105.04530	3.6
105.07030	28.1
106.04174	81.7
107.04967	11.0
107.08591	62.7
108.05766	2.0
109.06523	27.5
109.10162	21.9
111.04443	8.3
111.08072	10.4
113.05992	1.6
117.03368	4.6
117.07014	4.6
118.04180	2.9
119.04950	8.7
119.08568	9.7
120.05698	1.7
121.06506	96.0
121.10138	43.8
122.07281	2.7
123.04410	5.8
123.08061	23.5
123.11715	11.5
124.05207	4.0
125.05994	30.6
125.09618	25.6
125.13265	2.0
129.07022	2.0
131.04918	10.6
131.08575	20.4
133.02835	3.4
133.06435	2.1
133.10117	21.0
134.03650	15.6
135.04419	6.0
135.08080	18.1
135.11653	8.0
136.04808	1.4
137.05963	11.7
137.09616	10.6
137.13274	2.1
138.06728	4.7
139.07558	19.2
139.11156	4.9
143.08575	2.5
145.02835	5.8
145.10085	11.3
147.04387	4.4
147.11679	9.6
148.05186	12.6
149.05986	89.9
149.09619	100.0
149.13248	25.5
150.06323	1.9
151.03937	1.9
151.07500	3.0
151.11182	52.3
153.05467	6.8
153.07919	2.1
153.09100	34.4
154.09818	3.3
158.10901	2.4
159.04393	3.6
162.03111	2.5
163.03914	1.9
163.07556	5.2
163.11177	9.4
163.14787	12.2
165.12767	23.8
166.06235	6.0
167.07057	8.8
167.14395	2.3
173.13280	17.1
176.04610	2.4
177.04056	2.9
177.05481	45.0
181.08617	16.5
182.09131	1.9
191.07024	4.7
191.10663	1.6
191.14320	26.5
194.05769	2.1
209.08125	21.8
209.09990	2.6
209.11800	5.6
209.15359	59.7
209.17400	3.3
210.15652	1.6
216.27528	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.72084	0.5
52.79463	0.5
53.03942	1.9
55.01861	6.2
55.05511	26.9
57.03430	0.9
57.07076	3.9
59.04994	1.3
59.97604	0.5
65.03936	1.0
67.05502	18.7
69.03429	1.7
69.07064	5.1
71.04984	1.4
71.58344	0.8
72.77055	0.5
79.05492	17.4
80.12932	0.6
81.03408	0.6
81.07056	24.0
83.04979	100.0
83.08620	4.4
84.05327	0.8
85.06538	2.5
91.05476	11.4
93.07041	32.5
95.04972	3.6
95.07978	1.1
95.08603	22.9
97.06541	2.2
97.10163	1.3
99.08078	0.9
100.55179	0.6
103.05462	1.0
105.07027	3.9
107.04974	0.8
107.07866	1.1
107.08597	20.3
107.16467	0.5
109.02906	0.8
109.06497	3.5
109.10147	5.4
111.04453	1.5
111.08086	7.5
113.09640	0.9
117.07026	2.1
119.06091	0.7
119.08564	1.8
121.06485	3.5
121.10139	11.8
123.08114	1.0
125.06031	1.0
125.09659	2.4
131.04910	0.9
131.08575	5.6
133.10115	3.1
135.08025	4.1
135.11685	5.6
137.09637	0.8
137.64287	0.7
139.07594	0.6
142.93991	0.5
145.02837	0.7
145.10129	1.8
147.11690	1.8
149.06000	1.5
149.09583	3.8
149.13254	11.3
151.11172	0.7
153.05515	0.6
153.09116	1.2
159.11702	1.8
163.11226	1.3
163.14806	6.5
166.07829	0.7
167.08598	0.6
173.13263	2.7
177.05455	1.2
177.12759	1.5
179.08566	1.8
181.10017	0.7
181.15923	1.0
191.10649	0.6
191.14326	3.7
194.10860	1.2
196.51930	0.6
209.04417	1.3
209.06288	0.8
209.09689	1.7
209.11650	1.3
209.13301	2.2
209.15312	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03942	4.9
53.71327	1.0
55.01869	11.2
55.05509	14.3
56.96559	9.6
57.03434	3.2
57.07078	5.4
65.03934	7.2
67.05500	16.2
69.03426	31.4
69.07063	23.7
70.06581	2.4
71.04597	1.2
71.04988	22.2
71.58298	1.0
75.04454	1.7
78.04700	3.8
79.05489	62.5
81.03407	2.7
81.07050	20.8
82.06577	1.1
83.04977	18.4
83.08612	6.3
84.04510	1.1
84.08125	2.7
85.02890	2.9
85.06523	5.3
89.03905	2.2
91.05473	56.2
92.06265	1.3
93.03424	6.3
93.07037	59.5
94.06551	1.9
95.04967	25.1
95.08601	9.8
97.02853	1.6
97.06531	15.1
99.04482	2.1
99.08068	1.1
103.05465	14.2
105.03387	1.5
105.04470	2.8
105.07028	36.7
106.04163	15.1
107.04952	28.0
107.08587	72.9
108.05727	1.2
108.08976	0.9
109.02824	1.7
109.06511	15.2
109.10133	4.3
111.04447	6.0
111.08061	6.2
113.05977	1.3
115.05460	2.0
116.06222	2.9
117.03369	1.8
117.07012	10.1
119.04940	12.3
119.08575	12.0
120.05726	3.5
121.02858	1.4
121.06499	62.0
121.10135	43.1
122.06857	1.2
123.04413	4.1
123.08079	8.5
123.11666	3.4
124.05192	1.2
125.05981	13.8
125.09617	24.6
126.06248	1.0
129.06985	3.8
130.07741	3.5
131.04964	5.7
131.08559	100.0
132.08873	2.4
133.02831	1.9
133.06502	1.6
133.10114	5.1
134.03592	6.0
135.04436	5.1
135.08070	9.3
135.11673	7.2
137.05974	4.3
137.09584	1.2
138.03050	1.1
138.06758	2.1
139.03848	0.9
139.07529	4.3
139.11195	1.6
141.05437	2.8
143.00128	3.3
143.08575	1.7
145.02803	2.1
145.06432	2.0
145.10114	38.4
146.10524	1.4
147.04401	30.3
147.08052	6.3
147.11635	5.1
148.05186	21.1
149.02431	1.5
149.05984	32.1
149.09613	83.5
149.13202	5.4
150.10083	1.9
151.03912	2.3
151.07506	2.9
151.11165	4.3
153.05460	15.2
153.09074	8.2
155.07013	1.3
158.10925	1.5
159.04355	1.9
161.01225	5.1
162.03070	2.4
163.03915	2.4
163.07503	4.1
163.11165	35.0
163.14807	2.8
165.05440	2.0
165.09120	4.6
165.12737	6.7
166.00919	1.7
166.02545	1.7
166.06250	4.0
167.07082	7.7
167.10666	3.9
167.14316	3.1
173.09657	4.6
173.13257	6.5
174.10205	1.7
176.04646	2.7
177.05475	18.7
178.06197	3.7
179.03447	2.6
181.05014	1.1
181.08632	4.6
189.00671	2.0
191.06985	1.9
191.10648	26.8
191.14285	32.7
192.11153	1.3
193.04996	2.2
194.00314	4.4
194.02101	6.4
194.05731	21.3
194.55008	1.2
203.02271	1.5
209.02654	2.6
209.04448	7.4
209.06047	1.4
209.08073	41.6
209.11710	43.3
209.15344	38.6
210.11293	3.4
210.15099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.02369	1.1
53.03939	4.4
55.01868	8.3
55.05508	7.8
56.96553	1.9
57.03435	8.6
57.07072	4.0
59.04990	2.0
65.03943	7.8
67.05508	14.6
68.16915	0.7
69.03423	4.8
69.07066	7.8
71.03974	1.1
71.04317	1.3
71.04658	0.7
71.04992	18.4
73.58675	0.6
75.04475	4.8
77.03919	1.3
78.04707	5.8
78.96308	0.7
79.05491	28.8
81.03401	1.9
81.07056	14.8
82.04195	1.1
83.04975	11.5
83.08608	4.1
84.08156	1.0
85.02888	5.4
85.06546	4.0
89.03917	3.4
91.04897	1.0
91.05476	33.0
93.03406	13.0
93.07043	29.2
95.04965	100.0
95.08599	6.2
97.06528	15.8
97.10172	1.0
99.04453	13.9
99.08048	1.7
103.05470	11.0
105.03391	1.9
105.04521	1.7
105.07026	17.6
106.04173	35.0
107.04303	1.2
107.04963	21.2
107.08591	33.0
108.02180	0.9
109.06513	42.2
109.10158	7.0
111.04436	4.8
111.08078	6.8
113.06038	0.9
115.05418	1.2
117.03360	2.0
117.07034	5.2
119.04913	4.1
119.08569	10.2
120.05697	1.0
121.06500	41.2
121.10131	19.5
123.04398	4.6
123.08073	7.2
123.11714	1.5
124.05212	0.9
125.05985	13.9
125.09631	5.4
129.06987	3.6
130.07832	1.8
131.04942	3.8
131.08562	42.0
133.10136	9.7
134.03644	5.1
135.04393	2.1
135.08063	10.1
135.11685	6.6
137.05975	5.9
137.09657	1.3
138.06754	2.2
139.07536	5.2
139.11127	1.1
143.08614	1.7
145.02806	1.9
145.06506	1.4
145.10109	24.2
147.04416	5.6
147.08034	4.4
147.11714	2.5
148.05205	5.4
149.05981	38.2
149.09616	53.9
149.13278	3.2
150.06384	1.1
150.09967	1.6
151.03874	0.9
151.07549	1.7
151.11188	5.6
151.69231	0.8
153.05490	5.6
153.09093	39.1
158.10909	1.6
159.04440	1.0
161.09665	0.8
163.03883	1.1
163.07524	6.1
163.11168	19.4
163.14879	1.7
165.05455	0.9
165.09094	7.6
166.06282	1.3
167.07063	2.5
167.10672	5.2
167.14354	2.6
173.09663	5.5
173.13284	5.3
176.04701	0.9
177.05478	13.7
181.08618	5.5
191.07025	1.4
191.10658	26.4
191.14290	20.5
194.05818	2.0
209.04494	2.2
209.08112	8.1
209.11710	21.5
209.15314	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02363	1.3
53.00283	1.0
53.03933	6.1
55.01874	11.0
55.05508	18.4
56.96561	2.0
57.03442	7.2
57.07084	4.9
59.04995	2.5
60.60268	1.1
65.03942	9.4
67.05180	1.8
67.05505	21.3
68.99797	1.0
69.03426	13.4
69.07067	28.4
70.06563	1.8
70.77758	3.3
71.04601	1.4
71.04993	28.4
73.02921	1.2
75.04459	3.7
77.03910	1.8
78.04713	4.8
79.05491	67.3
81.03391	3.8
81.06593	1.0
81.07054	20.2
83.04486	1.4
83.04980	26.1
83.08627	5.0
85.02919	4.9
85.06522	2.4
87.04448	1.1
89.03913	2.6
89.78262	1.1
91.05480	57.1
92.05786	1.5
93.03391	8.9
93.07040	70.4
94.06579	1.3
95.04970	45.5
95.08605	9.3
95.53482	1.0
96.52419	0.9
97.02866	2.1
97.06527	17.4
97.10165	1.0
99.04453	4.8
100.07641	0.9
103.05463	14.7
105.03381	3.7
105.04503	2.7
105.06300	1.3
105.07027	39.4
106.04173	22.4
107.04955	29.7
107.08593	77.0
108.05755	1.3
109.06516	26.0
109.10157	5.6
111.04441	5.9
111.08064	4.6
113.05989	1.5
115.05421	1.3
115.07607	1.1
116.06216	3.7
117.03342	2.3
117.07028	10.7
119.04945	4.8
119.08595	15.3
121.06503	66.3
121.10139	63.6
122.06856	1.5
122.10484	1.5
123.04431	4.5
123.08063	10.5
123.11673	3.8
124.05204	1.3
125.05995	14.7
125.09622	9.2
128.06177	1.1
129.07014	5.4
130.07779	4.2
131.04904	4.9
131.08565	100.0
132.08929	1.6
132.95804	1.0
133.02837	3.0
133.06496	1.5
133.10155	6.7
134.03664	4.8
135.04411	7.6
135.08049	9.2
135.11685	10.7
136.05153	1.4
137.05972	5.8
137.09621	2.2
138.06741	3.9
139.07539	5.6
139.11148	2.2
141.05441	3.2
143.08566	2.0
145.02824	2.5
145.06528	1.4
145.10115	40.2
147.04399	3.9
147.08066	4.8
147.11719	4.0
148.05219	7.2
148.12439	1.1
149.02309	1.5
149.04782	1.5
149.05989	34.1
149.09613	83.0
149.13232	4.0
150.09993	1.8
151.03929	2.7
151.07524	4.9
151.11157	5.5
153.05476	13.9
153.09096	15.5
155.07016	1.3
159.04396	1.4
163.03885	3.9
163.07495	3.1
163.11183	30.3
163.14830	6.1
165.05458	1.9
165.09084	3.4
165.12817	1.1
166.00841	3.1
166.06259	8.1
167.07053	8.1
167.10632	4.8
167.14310	5.9
173.09673	3.3
173.13248	4.7
177.05490	16.3
178.06244	10.5
179.03357	5.8
181.05017	1.1
181.08586	6.7
191.07133	2.6
191.10674	29.5
191.14293	15.2
194.00339	9.1
194.01956	2.2
194.05751	11.4
195.06429	1.4
209.02672	3.9
209.04483	2.5
209.08162	17.4
209.11723	41.9
209.15315	19.1
209.17023	0.6
210.11304	3.3
213.22522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.092
Annotation	L-Kynurenine
Peak:m/z	Relative Intensity
53.03946	2.7
55.01867	3.5
55.05501	2.1
56.96553	1.8
57.03424	2.1
57.07064	1.0
57.64237	1.0
65.03953	2.7
66.97929	1.0
67.05493	1.4
69.07059	3.2
70.06582	4.8
71.01366	1.2
71.04997	1.5
71.07058	2.6
71.07397	1.8
74.02439	25.0
79.05028	1.2
79.05489	4.6
81.07050	4.1
82.51253	1.0
83.04965	3.1
84.04487	2.9
84.08134	4.5
85.06524	1.6
88.03996	1.6
89.03921	3.2
91.05482	17.5
92.05007	2.8
92.51873	1.1
93.07060	6.5
93.07539	1.2
94.06565	100.0
95.04961	6.8
95.08586	2.7
97.06542	1.1
99.00814	11.9
100.38862	1.1
103.05464	11.9
104.04979	7.1
105.01448	1.2
105.07008	2.5
106.04170	2.4
107.04970	5.8
107.08600	3.2
109.06503	2.0
109.10121	2.2
111.04405	1.6
111.05536	2.1
117.03391	3.0
117.05755	1.2
118.05695	2.2
118.06538	35.4
118.07361	2.3
119.04926	4.5
120.04463	33.2
120.05289	2.6
121.06500	17.1
121.10136	1.6
121.61501	1.2
122.05984	1.2
123.04474	2.3
123.08130	1.5
123.09091	1.0
128.04906	1.3
131.04916	15.3
132.04453	13.0
133.10094	1.4
134.03641	6.2
135.04420	5.5
135.08041	2.2
135.11668	1.2
136.06514	1.7
136.07570	33.9
137.05965	1.4
139.08661	3.6
145.02861	3.6
146.06001	74.3
147.04404	4.6
147.06360	1.7
148.05086	5.5
149.05971	20.3
149.09666	1.9
150.05492	21.4
153.05484	1.3
159.04417	6.8
163.03912	4.1
163.05849	1.0
163.07513	2.8
163.08691	7.5
164.07082	5.5
165.05499	2.0
166.06259	1.4
166.07689	1.3
167.06978	1.2
173.23573	1.1
174.05515	28.4
176.04745	2.0
177.05463	36.2
181.06476	1.3
191.05557	1.4
191.07045	3.8
191.14323	1.9
192.06554	25.8
194.05768	2.8
209.04463	2.9
209.07817	11.4
209.09900	1.5
209.13335	2.3
209.15335	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	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02370	1.4
51.53955	1.0
52.92694	1.1
53.03951	8.3
55.01629	1.4
55.01871	21.1
55.05503	3.1
55.27946	1.0
57.03422	1.9
57.07077	1.3
57.76164	1.1
58.11674	1.1
59.04989	1.4
60.75430	1.2
65.03937	16.6
67.05502	9.6
69.03419	2.8
69.07066	3.6
69.71671	8.2
71.04977	1.8
73.13032	1.0
75.04482	12.0
75.95844	1.2
77.03911	2.9
78.04705	14.6
79.05485	10.8
81.03406	2.6
81.07050	5.2
82.04206	1.9
83.04970	4.0
83.11155	1.3
85.02898	11.3
85.06537	1.9
86.08149	1.1
86.97589	1.0
89.03905	10.6
89.06031	2.8
91.05478	60.4
93.03405	31.3
93.07037	24.6
95.04963	25.2
95.08594	4.7
95.87835	1.3
96.80639	1.5
97.06533	14.4
103.05460	26.5
105.03394	3.8
105.04517	3.3
105.07008	5.4
106.04169	93.7
107.04991	7.5
107.08575	7.6
108.05753	2.2
109.06532	9.0
109.10127	2.2
111.04423	4.9
111.08058	2.2
111.77937	1.2
112.93719	1.2
117.03379	7.0
118.04172	2.7
119.04968	6.6
119.08606	1.7
120.05721	2.7
121.06499	95.0
121.10099	5.0
122.03657	1.9
122.07296	2.9
123.04415	5.4
123.08031	3.4
123.11678	1.7
124.05211	4.4
125.05984	26.0
125.09579	5.8
131.04941	10.1
131.08597	2.7
133.02826	2.1
133.10133	2.3
134.03638	15.1
135.04388	5.9
135.08058	3.9
135.11679	2.1
137.05969	10.9
138.06749	5.0
139.07529	6.0
145.02812	7.9
147.04382	5.1
147.11685	1.3
148.05197	11.9
149.05975	100.0
149.09589	3.2
149.13232	1.6
150.06439	1.6
151.03896	1.6
151.07504	3.4
151.11171	2.1
152.08313	1.4
153.05431	8.3
153.09094	16.4
159.04417	4.1
163.03835	1.8
163.07591	8.2
163.11143	1.3
165.05435	2.8
165.12730	2.1
166.06287	4.2
167.07043	2.9
167.14189	1.1
176.04672	2.5
177.05476	41.7
180.07796	1.4
181.08611	17.9
191.07072	7.8
191.14302	8.6
194.05737	3.2
209.08107	18.7
209.09914	1.9
209.15349	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	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02376	1.8
53.00322	1.0
53.03942	9.2
55.01871	15.0
55.05501	2.8
56.96559	4.7
57.03424	1.7
57.07067	1.1
65.03935	16.5
66.04723	1.4
67.05511	8.2
67.51114	1.0
69.03413	2.7
69.07078	1.8
69.35934	0.9
70.01389	5.7
71.04995	2.7
75.04471	13.4
77.03909	1.9
78.04708	14.4
79.05497	12.8
81.03423	3.6
81.07050	4.1
82.04194	1.7
83.04990	6.7
85.02916	9.9
85.06545	1.5
89.03912	10.7
89.06026	2.2
91.05481	59.9
92.06310	1.4
93.03408	30.6
93.07043	24.3
94.04208	1.7
95.04970	23.5
95.08578	2.4
96.05766	1.2
97.06529	14.8
98.21508	1.5
102.04611	1.2
103.05466	24.2
105.03379	4.4
105.04491	2.1
105.07011	4.5
106.04175	89.2
107.04982	8.0
107.08595	6.1
108.05745	2.1
109.06558	7.3
109.10207	1.1
110.03655	1.2
110.07253	1.4
111.04437	3.9
111.31763	1.2
116.27438	1.2
117.03406	5.2
117.07020	1.6
118.04171	2.1
119.04932	13.7
119.08587	2.5
120.05727	2.4
121.02944	1.2
121.06507	85.9
121.10145	3.4
122.03646	1.3
122.07294	1.7
123.04458	6.1
123.08063	3.4
124.05253	2.1
125.05998	22.1
125.09621	1.1
131.04936	8.6
131.05879	2.0
131.08554	4.0
133.02846	1.7
133.06506	1.3
133.10110	1.0
134.03622	17.5
135.04454	4.9
135.08075	1.4
136.05173	1.3
137.05981	11.2
138.06757	4.8
139.07564	5.5
143.00117	1.4
145.02823	6.6
145.10141	3.1
147.04416	18.5
148.05199	10.9
149.05981	100.0
149.09625	5.4
150.06467	1.3
151.03906	2.9
151.07533	3.8
151.11209	1.3
153.05492	7.4
153.06543	1.3
153.09099	14.8
159.04401	4.3
161.01186	1.6
162.03157	1.5
163.03877	2.3
163.07495	5.9
163.11249	2.1
165.05450	1.3
166.06244	3.9
167.07137	4.8
167.08305	1.1
173.13324	1.5
176.04698	1.9
177.05476	39.4
178.06227	1.5
180.07845	1.2
180.96007	1.0
181.08595	18.8
191.07030	6.3
191.10657	2.5
191.14302	2.9
194.05672	2.1
209.08105	17.7
209.09933	1.5
209.11681	3.0
209.15321	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	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02368	1.8
53.03942	8.4
55.01870	16.2
55.05509	57.4
56.96555	1.6
57.03432	3.7
57.07063	4.3
59.04997	3.2
65.03944	18.1
66.72205	1.4
67.05499	17.3
69.03432	8.9
69.07060	8.5
70.06587	2.8
71.04999	4.8
71.06906	1.5
72.08144	1.4
75.04482	12.1
77.03925	2.7
78.04707	17.8
79.05495	22.3
81.03440	3.0
81.07065	17.2
82.04184	1.5
83.04979	88.4
83.08620	28.1
84.08172	2.6
85.02889	11.5
85.06531	3.8
89.03913	11.8
89.06059	1.7
91.05480	63.2
93.03407	28.4
93.07043	41.7
93.07633	2.2
93.85293	1.7
94.04191	2.0
95.04965	51.2
95.08602	9.6
96.46231	1.2
97.06531	22.0
97.10170	7.5
99.04459	3.1
103.05463	30.5
105.03391	4.6
105.04544	2.5
105.07009	12.7
106.04170	88.4
107.04951	13.7
107.08592	31.3
108.05740	2.9
109.06518	30.2
109.09557	1.8
109.10162	17.1
110.07204	1.6
111.04438	6.1
111.08054	11.7
113.09673	2.7
117.03358	7.2
117.06966	3.0
118.04164	2.8
119.04935	9.1
119.08572	5.6
121.06501	100.0
121.10143	42.5
121.11028	2.6
122.03629	2.1
122.07259	1.7
123.04430	6.5
123.08087	7.9
123.11693	9.2
124.05190	3.4
125.05997	23.9
125.09617	11.9
127.07528	1.8
131.04913	17.0
131.08577	14.3
133.02882	2.2
133.06514	2.0
133.10139	7.2
134.03630	17.1
135.04468	6.9
135.08058	5.6
135.11678	2.9
137.05963	11.9
137.09656	1.6
138.06747	23.1
139.07567	7.1
139.11188	2.1
145.02869	5.6
145.10118	9.6
147.04401	10.0
148.05220	15.9
149.05980	96.8
149.09587	15.0
149.13266	7.5
151.03931	2.6
151.07564	5.4
151.11159	22.0
153.05482	10.1
153.09108	21.0
158.10876	1.7
159.04453	5.1
163.03923	3.7
163.07529	9.0
163.11214	3.9
163.14819	4.1
165.05418	2.0
166.06300	7.5
167.07045	5.9
167.14314	50.0
173.13281	6.1
176.04715	4.5
177.05469	62.4
178.06140	1.6
181.08612	16.7
191.07031	6.3
191.10666	4.3
191.14297	6.3
194.00342	3.8
194.05795	6.6
209.02664	5.0
209.08081	26.6
209.09995	2.3
209.11653	7.8
209.15358	28.0
221.23990	1.4
226.37671	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02377	1.4
52.34254	1.1
53.03951	9.3
55.01870	17.1
57.03428	1.5
63.91872	1.1
65.03933	16.9
67.05498	4.5
67.82364	1.1
69.61997	4.5
69.62425	5.2
75.04479	13.6
77.03934	1.7
78.04710	17.6
79.05500	9.3
81.03426	2.5
81.54609	1.2
82.04189	1.6
84.08193	1.2
84.57304	1.2
85.02901	11.2
89.03920	10.0
89.06007	2.9
91.05477	59.6
93.03401	34.5
93.07042	18.6
95.04968	26.7
97.06535	14.4
103.05468	23.6
104.81575	1.5
105.03382	4.4
105.04525	2.2
105.07036	3.0
106.04171	98.9
107.04973	8.1
108.05715	3.2
109.06507	5.4
111.04431	3.0
115.05437	1.4
117.03398	5.7
118.04150	2.9
119.04948	5.0
120.05692	1.3
121.06500	88.2
122.07323	2.4
123.04446	5.0
123.08123	3.0
124.05202	3.1
125.05978	24.5
131.04904	9.5
133.02852	2.7
133.06531	2.0
134.03633	15.3
135.04408	5.0
135.08066	1.9
137.05940	12.3
138.06737	4.6
139.07544	5.1
145.02863	6.8
147.04414	3.9
147.25526	1.3
148.05196	11.2
149.05974	100.0
150.06403	1.9
151.03876	1.6
151.07516	4.0
152.08394	1.7
153.05498	8.5
153.09077	15.3
159.04404	2.5
162.03142	1.4
163.07544	6.0
165.05368	1.4
166.06262	4.1
167.06946	2.1
176.04704	2.0
177.05475	44.2
180.07986	1.5
181.08586	20.5
181.10045	2.3
191.07037	7.0
194.05740	1.7
209.08075	20.3
209.15323	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	208.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.2
54.67484	0.1
55.05538	0.1
65.03934	0.7
66.04362	0.1
69.28516	1.6
70.06579	0.1
73.62989	0.1
79.05474	0.1
87.48439	0.1
88.27977	0.1
89.96039	0.1
91.05479	11.4
92.05804	0.3
93.07062	0.2
95.04988	0.2
95.08642	0.2
103.05435	0.2
109.06497	0.2
119.04939	27.8
120.05274	0.3
120.08861	0.3
121.06559	0.2
138.22784	0.2
147.04407	100.0
148.04765	1.2
149.06001	0.2
162.09123	0.2
176.04280	0.2
190.08626	0.3
191.06978	0.2
208.09686	0.5
208.14014	0.1
226.36060	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	208.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56298	0.1
61.89426	0.2
65.03920	0.9
70.82521	0.5
83.49958	0.2
91.05479	12.6
119.04938	31.5
120.05289	0.5
128.33037	0.1
147.04404	100.0
148.04733	1.2
190.08675	0.5
208.09805	0.4
208.13205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02385	1.9
51.83706	1.1
53.00281	1.3
53.03946	7.6
55.01875	18.7
55.05507	8.5
57.03429	4.3
57.07073	3.6
59.04985	3.6
65.03940	16.9
67.05505	12.3
68.99786	2.8
69.03423	5.4
69.07059	7.6
70.89256	3.7
71.04993	6.4
75.04478	12.0
78.04710	17.1
79.05495	18.4
81.03412	6.4
81.07058	21.4
83.04982	12.2
83.08607	4.1
85.02908	9.5
85.06525	4.5
89.03906	9.4
89.06018	2.4
91.05480	63.4
93.03406	31.9
93.07041	37.4
94.04182	1.5
95.04966	33.4
95.08600	13.6
96.05767	1.4
97.06528	18.8
98.21149	1.6
99.04433	2.0
99.08096	6.3
103.05462	28.4
105.03355	3.6
105.04528	3.7
105.07029	13.4
106.04171	84.8
107.04974	10.7
107.08593	27.7
108.05776	2.5
108.87657	1.2
109.02891	1.9
109.06514	13.9
109.10136	9.8
111.04452	6.5
111.08074	4.5
117.03397	7.9
117.06970	2.1
118.04141	1.7
119.04929	6.2
119.08572	4.9
120.57399	1.1
121.06499	96.9
121.10137	17.0
123.04414	4.0
123.08065	10.7
123.11728	3.1
124.05206	2.8
125.05991	25.0
125.09622	5.6
131.04933	11.1
131.08566	9.1
133.02837	3.1
133.10153	10.1
134.03619	16.1
135.04420	5.8
135.08054	8.2
135.11707	5.5
137.05956	10.5
137.09608	3.6
138.06749	3.5
139.07538	8.8
145.02869	8.2
145.10132	8.0
147.04410	3.9
147.11694	3.4
148.05200	9.6
149.05978	100.0
149.09612	32.8
149.13252	14.6
150.06320	2.7
151.03925	3.2
151.07552	3.3
151.11179	22.2
153.05466	8.7
153.09090	22.6
158.10886	1.9
159.04398	5.1
163.03955	2.8
163.07515	7.1
163.09808	1.4
163.11177	4.2
163.14861	6.5
165.05450	1.9
165.12785	5.7
166.06281	5.7
167.07069	3.7
173.13293	9.0
175.63884	1.3
177.05470	43.5
178.05910	1.7
181.08594	16.9
191.07010	6.4
191.10666	1.8
191.14304	12.8
194.05847	2.3
209.08066	25.1
209.09908	1.9
209.11655	2.4
209.15364	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.11741	2.8
55.05497	5.2
59.04994	3.9
65.03922	3.3
67.05502	18.2
69.03429	6.4
69.07063	3.2
70.79134	5.9
70.79491	7.4
71.04980	5.5
79.05502	13.8
81.07055	10.6
83.04979	7.1
85.02892	4.2
85.06556	3.1
89.32773	2.8
91.05486	25.2
93.07045	20.0
95.04957	7.2
95.08616	36.1
97.06507	3.4
100.72373	3.1
103.05491	3.6
105.07028	24.1
107.08604	21.2
109.06519	12.0
109.10146	5.7
117.06966	3.4
119.04928	15.4
119.08578	24.6
121.06516	9.6
121.10164	18.7
123.08054	27.7
123.11694	6.1
124.08664	2.9
131.08557	4.0
133.06453	6.1
133.10130	4.7
135.08083	6.3
137.09618	7.1
143.08498	3.2
146.03595	2.8
147.04451	8.2
147.08031	6.7
147.11690	12.3
148.08727	3.0
149.09618	100.0
151.07565	9.5
161.05930	4.0
161.09598	3.5
161.13258	14.2
165.09117	3.8
165.12746	9.4
171.11687	9.1
174.10355	3.2
175.03979	3.8
189.12749	29.6
203.39314	2.9
207.06560	3.6
207.13806	64.0
207.17444	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.06593	1.4
53.03933	2.3
55.01851	3.1
55.05509	8.2
57.03430	1.4
57.07064	3.4
59.04987	4.0
65.03923	4.1
67.05502	26.5
68.99794	1.5
69.03429	7.5
69.07059	5.8
71.04987	3.6
71.16847	3.0
79.05500	10.2
80.06264	2.2
81.07059	10.5
83.04968	5.3
84.74675	1.3
85.02874	2.7
85.06546	4.5
91.04902	2.0
91.05479	41.2
93.07043	18.2
95.04967	8.8
95.08603	68.1
97.06499	3.3
103.05447	3.1
104.02583	1.3
105.07023	37.9
107.04957	2.6
107.08595	23.3
109.06512	10.2
109.10150	4.0
111.08063	2.5
113.06009	2.6
115.05493	1.8
117.07001	5.3
118.04211	2.2
119.04931	24.9
119.07695	1.7
119.08578	49.7
121.06488	8.8
121.10146	21.1
123.08065	52.5
123.11674	9.0
131.08540	6.2
133.06461	5.0
133.10146	12.8
135.04385	1.6
135.08037	3.8
135.11699	2.0
136.05147	4.0
137.09644	7.4
137.13239	3.5
139.07536	1.8
143.08554	4.5
145.10089	5.5
147.04396	18.3
147.08054	8.5
147.11684	23.5
148.04649	1.4
149.02370	8.3
149.09616	100.0
150.09877	3.0
151.07581	8.1
151.14885	1.7
156.09344	7.8
159.08022	2.4
159.11673	1.9
161.09569	5.6
161.13246	31.9
163.03848	2.6
163.11172	5.6
164.04681	9.4
165.09143	1.4
165.12726	10.6
171.11639	10.6
174.03108	1.8
174.10394	6.5
175.03949	15.1
179.07013	4.5
179.14288	2.5
189.12744	42.5
192.04131	4.1
207.06522	17.9
207.13788	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03929	2.0
54.65277	1.8
55.05511	8.9
55.07356	2.1
57.07074	3.7
59.04999	2.3
65.03934	2.2
67.05505	36.6
68.57726	1.8
69.03425	4.0
69.07069	2.3
70.89782	3.9
70.90114	1.9
75.56805	1.9
79.05499	6.4
81.07049	8.6
82.99729	1.7
83.04988	5.1
85.06544	8.4
91.05481	17.1
93.07037	15.6
95.04961	7.3
95.07987	4.7
95.08603	100.0
99.67601	1.7
105.07023	22.6
105.07678	2.0
107.08601	22.6
109.06518	8.8
109.10162	2.8
111.08091	2.7
113.06036	4.8
119.04964	5.7
119.08573	35.4
119.09373	3.2
121.06523	5.7
121.10155	22.9
123.08068	66.8
123.11724	9.2
131.08580	6.9
133.06482	3.7
133.10110	8.6
135.11711	3.9
137.09641	5.7
139.07573	1.8
143.08575	2.0
145.10120	2.8
147.04465	4.0
147.08083	5.9
147.11676	14.4
149.09613	61.1
149.86353	1.8
150.09976	2.7
151.07567	3.6
151.14803	3.8
156.09334	4.6
159.08032	3.4
161.09673	4.6
161.13264	23.7
163.11162	4.4
165.12750	10.9
171.11740	3.2
174.10516	5.0
175.03864	3.6
179.14351	2.2
189.12746	22.4
205.85005	1.9
207.13795	33.0
229.09457	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.86155	0.6
52.28538	0.4
55.01865	1.2
55.05504	1.6
57.07072	2.0
65.03942	1.6
67.05505	5.2
69.03429	2.0
69.07052	1.9
69.32577	5.4
69.87879	0.5
71.04995	0.9
77.03915	0.7
79.05482	4.3
79.71725	0.4
80.74866	0.5
81.07055	17.1
83.04990	1.3
83.08644	0.5
83.99432	0.5
85.02903	100.0
85.06544	1.3
89.03915	1.3
90.04681	0.5
91.05479	25.0
92.05798	0.5
93.07044	5.7
95.04960	2.8
95.08601	5.6
103.05451	0.7
105.03403	0.5
105.07025	10.7
107.04984	1.0
107.08600	6.5
109.06516	3.0
109.10153	17.0
111.04465	1.5
115.05470	0.6
117.07006	1.3
118.04164	1.7
119.04939	19.0
119.08582	9.1
120.57891	0.5
121.06510	1.6
121.10136	10.9
123.08078	4.1
123.11704	59.1
124.12026	0.7
125.05987	10.8
128.06175	0.7
128.18146	0.6
129.07005	0.8
130.07805	1.2
131.08582	3.5
132.02094	1.6
133.06436	0.6
133.10127	1.8
134.03691	0.6
135.04413	0.7
135.08005	0.5
136.05148	0.9
137.06004	0.8
137.09634	0.7
139.07587	0.9
141.05466	2.2
143.08521	1.1
145.02919	0.8
145.10152	4.5
146.03648	0.9
147.04416	13.6
147.08051	5.3
147.11676	11.2
148.04738	0.7
149.02365	2.2
149.09618	15.7
150.03212	0.6
151.07544	4.3
156.09378	2.7
157.03989	1.4
159.08023	1.0
160.08836	0.7
161.09653	1.2
161.13274	2.2
163.03961	0.9
163.07510	0.5
163.11153	1.4
164.04657	2.5
165.12724	2.9
166.04922	0.5
169.08620	1.3
171.11693	1.8
174.10376	2.3
175.03896	12.9
177.05554	0.5
179.07063	2.9
179.14311	0.9
189.12733	9.9
192.04132	4.5
207.06520	8.4
207.13806	29.6
208.14119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03948	7.7
54.23557	0.7
55.01857	2.5
55.05513	6.0
56.19116	0.9
56.82257	0.8
57.03437	1.0
57.07049	0.9
65.03929	2.2
67.05502	24.0
69.07069	5.3
70.12404	3.2
71.04974	3.1
73.06506	1.0
77.03909	1.8
79.05493	43.7
81.06590	1.2
81.07055	18.0
83.04980	2.1
83.08604	2.2
84.08122	0.9
85.06551	2.9
87.04469	1.2
91.05481	65.5
92.05816	1.4
93.07043	100.0
95.04972	17.9
95.08609	6.4
95.79726	0.8
97.06546	1.4
105.04517	3.7
105.07034	29.4
107.04916	0.8
107.08595	10.4
109.06497	4.6
111.04429	1.4
115.05453	0.9
117.07012	5.0
118.04136	1.0
119.04952	4.8
119.08585	16.3
121.06496	2.8
121.10119	2.3
123.08064	2.9
128.06247	2.1
129.07022	7.9
131.08511	1.0
133.10133	5.7
143.08549	5.1
145.10123	9.4
146.03503	0.9
147.04391	4.1
147.08003	2.2
147.11687	62.6
148.12109	1.3
149.02332	1.6
161.09726	3.9
161.13245	7.6
164.04698	2.1
171.11685	16.1
174.03133	1.0
175.03873	3.0
178.76593	0.7
179.07018	1.0
189.12743	10.2
192.04164	0.8
207.06467	3.8
207.10143	0.9
207.13803	11.6
207.17413	1.3
212.61482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02371	1.3
53.03937	0.9
55.01839	0.8
58.06576	0.8
63.02334	0.8
64.03114	0.9
65.03937	11.0
67.05484	1.1
68.99780	1.3
69.96259	4.6
75.21313	0.7
76.03152	1.5
77.03907	2.2
78.04675	0.8
79.05488	3.9
80.06253	1.5
89.03916	6.0
90.04682	2.7
90.05231	0.9
91.05479	100.0
92.05820	2.1
93.03408	1.9
93.07029	1.6
95.04957	4.0
95.08596	0.8
100.07606	2.3
101.21804	0.8
103.05456	3.1
104.02596	2.3
105.03377	2.3
105.07011	1.5
106.04148	0.8
107.04932	2.3
108.05711	2.4
109.10110	0.8
117.03349	1.1
118.04150	9.2
119.04938	95.1
119.08567	1.6
120.05231	1.0
121.02868	3.3
121.06505	1.3
122.03615	1.5
123.04413	1.1
123.08087	1.0
129.03391	2.1
129.04430	1.2
132.02060	8.1
133.02809	1.8
134.03589	1.4
135.04382	4.1
136.05209	5.5
137.06006	1.0
145.02861	2.3
146.03619	10.9
147.04402	74.0
147.11707	0.9
148.04774	1.3
149.02330	17.3
149.06001	2.4
149.09586	1.6
150.03009	1.4
151.07542	2.5
154.88701	0.8
157.03989	7.1
162.03137	2.0
163.03983	4.3
163.05113	0.8
164.04695	12.5
174.03119	7.4
175.03902	80.2
176.04250	1.9
177.01820	1.9
179.07034	13.9
188.19176	0.8
192.04173	18.5
207.06516	45.5
207.13765	1.3
208.06828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02370	1.5
53.03951	8.1
55.01877	1.6
55.05309	0.8
55.05508	9.2
56.70636	1.0
57.03424	0.9
65.03918	2.1
67.05503	25.6
69.07063	7.1
69.60595	7.9
71.04992	2.2
73.06554	1.0
77.03912	1.6
79.05492	47.6
81.03408	2.1
81.07059	24.9
83.04970	2.3
83.08605	1.3
85.06532	2.1
87.04459	0.9
87.57096	1.0
91.05480	59.7
93.07040	100.0
94.07372	1.2
95.04967	21.5
95.08604	7.5
97.06504	2.7
105.04510	2.8
105.07031	32.3
107.04934	1.5
107.08587	10.5
109.06499	5.4
117.06995	5.8
117.73711	1.0
119.08566	16.0
121.06493	1.7
121.10132	2.8
123.08060	4.1
128.06224	1.8
129.06987	8.6
131.08542	1.0
133.10143	4.8
135.24420	1.0
143.08536	5.4
145.10083	8.2
147.07994	2.6
147.11681	57.6
161.09598	2.4
161.13248	8.1
171.11693	18.5
187.36656	1.0
189.12720	11.4
207.13814	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	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02375	1.4
52.29126	0.9
55.01881	0.8
60.68993	0.8
65.03943	8.0
67.05502	2.7
69.03426	0.9
71.12357	1.0
71.12699	1.5
76.03139	1.0
77.03905	2.0
78.04713	0.9
79.05491	3.3
80.06263	1.4
81.07073	1.9
89.03924	5.6
90.04694	2.1
91.05478	100.0
92.05807	1.2
93.03384	1.3
93.07047	2.6
95.04971	2.9
95.08613	4.7
102.04700	0.9
103.05464	2.3
105.03389	2.5
105.07043	2.4
107.04942	2.7
107.08601	1.2
108.05738	1.4
109.06499	1.0
118.04163	4.8
119.04940	87.3
119.08566	2.4
120.05277	2.0
121.02879	2.3
121.10138	1.7
122.03642	1.6
123.08083	3.2
124.33263	0.9
129.03378	1.5
131.04921	1.0
132.02074	7.8
133.02843	1.3
135.04431	3.6
136.05240	2.5
137.09625	1.1
145.02870	1.9
146.03632	3.2
147.04404	64.5
147.11676	2.2
148.04807	1.3
149.02353	10.4
149.09578	5.3
150.03130	1.6
151.07509	1.6
157.03984	5.2
161.13251	2.1
162.03114	1.6
163.03903	1.6
164.04677	4.9
165.12753	1.0
174.03047	3.8
175.03903	67.4
176.04280	1.9
177.01828	1.0
178.02501	0.8
179.07018	7.2
189.12753	3.0
192.04163	10.4
207.06526	24.4
207.13887	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0447
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
54.56768	0.3
55.01876	0.5
55.05508	0.7
56.05048	0.5
56.96566	1.8
57.07076	0.8
58.06597	0.3
60.04526	1.4
65.03954	0.4
67.05513	0.5
69.03429	1.1
69.07077	0.5
69.65053	0.8
69.65462	2.1
70.06587	0.8
70.71424	0.3
72.08157	0.7
73.02936	0.5
76.57561	0.3
79.05499	0.7
80.05009	0.5
81.07063	0.4
83.04958	0.3
84.08159	1.7
85.02891	0.6
86.06024	0.4
86.09692	0.6
88.03991	0.6
89.04335	0.4
89.07131	0.3
91.05494	1.3
95.04937	0.7
97.02919	0.4
98.09692	2.4
99.04464	0.7
100.07630	1.3
104.04999	1.4
105.07018	0.5
110.06051	0.8
111.04430	0.4
112.11214	0.7
114.05587	0.4
119.04951	0.4
119.08575	0.5
121.02831	0.4
121.06501	0.4
122.06940	0.4
124.07552	0.5
132.04453	27.6
133.58003	0.3
134.99622	0.4
135.11687	0.4
136.06224	1.0
144.10181	2.1
146.03560	0.4
146.05988	0.7
146.08160	0.6
147.04433	0.6
149.01231	0.3
149.02359	1.4
149.38666	0.4
150.02699	2.2
150.05428	0.4
160.04095	1.0
160.07558	0.6
160.12253	0.4
162.05486	0.4
164.09196	0.9
178.04994	100.0
179.05342	1.3
188.09178	1.4
191.14290	0.7
201.00705	0.8
206.04483	42.1
206.10201	1.0
206.11983	1.8
206.13603	0.5
206.19011	0.6
207.02904	0.4
207.04739	0.7
207.06511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
52.29126	0.9
55.01881	0.8
60.68993	0.8
65.03943	8.0
67.05502	2.7
69.03426	0.9
71.12357	1.0
71.12699	1.5
76.03139	1.0
77.03905	2.0
78.04713	0.9
79.05491	3.3
80.06263	1.4
81.07073	1.9
89.03924	5.6
90.04694	2.1
91.05478	100.0
92.05807	1.2
93.03384	1.3
93.07047	2.6
95.04971	2.9
95.08613	4.7
102.04700	0.9
103.05464	2.3
105.03389	2.5
105.07043	2.4
107.04942	2.7
107.08601	1.2
108.05738	1.4
109.06499	1.0
118.04163	4.8
119.04940	87.3
119.08566	2.4
120.05277	2.0
121.02879	2.3
121.10138	1.7
122.03642	1.6
123.08083	3.2
124.33263	0.9
129.03378	1.5
131.04921	1.0
132.02074	7.8
133.02843	1.3
135.04431	3.6
136.05240	2.5
137.09625	1.1
145.02870	1.9
146.03632	3.2
147.04404	64.5
147.11676	2.2
148.04807	1.3
149.02353	10.4
149.09578	5.3
150.03130	1.6
151.07509	1.6
157.03984	5.2
161.13251	2.1
162.03114	1.6
163.03903	1.6
164.04677	4.9
165.12753	1.0
174.03047	3.8
175.03903	67.4
176.04280	1.9
177.01828	1.0
178.02501	0.8
179.07018	7.2
189.12753	3.0
192.04163	10.4
207.06526	24.4
207.13887	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	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03944	3.4
55.01867	0.7
55.05511	3.7
56.96574	1.0
57.07071	1.6
58.26574	0.3
60.04530	0.6
65.03941	1.7
67.05499	1.4
69.03432	2.1
69.07056	1.2
70.06562	0.4
70.60038	0.4
70.63780	1.4
71.04955	0.5
72.04504	0.4
72.08155	0.7
73.51617	0.4
77.03917	0.9
79.05475	2.2
81.03397	0.6
81.07042	1.3
81.07525	0.4
83.04969	1.1
83.08632	1.9
84.08139	1.4
85.02914	0.5
85.06541	0.4
88.03989	0.4
88.19256	0.4
91.05479	21.0
92.05833	0.4
93.07040	62.0
94.07371	0.9
95.04967	8.5
95.08591	1.4
97.02900	0.9
97.06509	0.4
98.09735	0.3
100.07614	1.7
103.05456	3.9
104.98309	0.8
105.04511	1.6
105.07018	3.3
107.08602	2.5
109.06509	0.7
111.04428	0.6
112.11212	0.5
115.05438	1.5
116.98578	0.5
117.07014	3.2
118.06531	1.0
119.08569	2.9
121.02872	1.4
121.06500	100.0
121.10139	1.6
122.06843	1.1
123.04400	0.5
123.08078	0.6
124.03945	0.6
128.06245	0.6
128.07077	0.8
129.07011	1.4
131.04903	0.6
131.08543	2.5
133.06563	0.4
133.10109	1.2
135.08060	1.9
135.11681	1.6
143.08525	0.7
144.08197	0.5
144.09299	1.8
145.06485	2.9
145.10114	3.0
146.05978	1.6
147.04381	1.2
147.08038	1.1
147.11665	0.5
149.02341	12.2
149.05933	0.6
149.09598	0.8
149.13232	0.7
155.06030	0.5
159.02962	0.5
159.07993	0.8
159.11685	6.9
161.05974	1.0
161.09605	0.7
163.07515	0.5
163.11145	2.2
165.67688	0.4
172.08813	0.8
173.05969	0.6
175.07585	0.6
175.11215	0.4
177.09085	0.8
177.12697	2.5
187.11293	1.7
188.07018	1.2
205.03493	1.0
205.05070	0.5
205.08585	0.8
205.12231	11.7
205.14008	0.9
205.15933	0.8
206.11833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.91857	0.6
53.03944	3.8
55.01861	1.6
55.05519	3.1
56.96569	1.5
57.03465	0.6
57.07067	2.5
60.77946	0.6
65.03947	1.6
67.05502	1.6
69.03432	10.9
69.07062	1.2
71.17792	1.2
77.03941	0.7
79.05499	3.4
81.07045	2.8
83.04987	3.2
84.08152	0.9
85.02892	0.9
91.04900	1.3
91.05475	22.4
93.07040	38.1
95.04972	8.8
95.08607	1.1
96.56657	0.5
98.09738	0.9
98.97559	1.8
100.07597	0.9
103.05482	1.2
105.04531	0.8
105.07024	10.8
107.04952	1.7
107.08588	8.8
109.06513	2.0
111.04442	0.6
115.05433	1.4
116.98619	1.5
117.07014	5.8
119.04953	0.7
119.07794	0.9
119.08575	10.0
120.08081	0.9
121.02902	1.6
121.06503	100.0
121.10130	6.0
122.06841	1.0
123.08086	1.9
128.06216	1.7
129.07014	4.6
130.07785	2.2
130.91077	0.5
131.04980	1.0
131.08586	6.4
133.10130	4.0
134.99644	0.8
135.04509	0.7
135.08058	10.7
135.11691	5.5
137.09691	0.7
141.07005	0.8
143.08588	1.4
144.09335	5.2
145.06496	2.3
145.10117	10.4
146.06071	0.9
146.07253	1.1
147.08029	3.8
149.02348	10.8
149.05972	7.5
149.09630	5.8
149.13269	1.6
157.06535	0.7
157.10184	0.8
158.07263	1.4
159.08089	2.1
159.11691	18.4
159.87907	0.6
161.09592	5.9
162.10373	1.8
163.07524	1.5
163.11183	13.6
169.10165	1.0
171.07993	0.8
172.08827	6.8
175.07555	2.5
175.11203	1.7
177.05417	0.8
177.12755	12.3
187.11125	12.3
190.09894	2.2
205.12238	53.6
205.15729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57922	0.5
60.29564	0.6
64.25059	0.6
70.70028	2.1
74.02446	1.9
79.05788	0.5
91.05480	2.1
104.55318	0.6
115.05428	3.7
117.05756	1.7
117.07008	3.4
118.06541	50.3
130.06497	3.4
131.96542	0.6
132.08090	11.8
142.06505	5.2
143.07295	7.1
144.04466	0.9
144.08089	21.8
146.06009	100.0
147.06378	1.3
149.02350	1.4
159.09192	9.0
160.07501	1.9
170.05994	6.8
188.07066	64.1
189.07437	1.1
213.99532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1221
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03941	4.6
55.01873	12.5
55.05505	7.4
55.94919	1.3
57.07083	10.5
65.03935	9.7
67.05173	2.3
67.05505	34.2
69.03414	3.0
69.07056	10.1
71.01338	7.3
71.04991	1.6
71.58721	1.3
71.59087	2.1
78.33170	1.3
79.05492	38.9
81.03404	5.2
81.07056	28.3
83.04977	11.7
83.08627	3.4
84.08120	3.4
91.05479	38.2
91.79301	1.3
93.03406	2.0
93.06480	1.8
93.07039	23.2
95.01335	8.5
95.04970	30.6
95.08610	27.5
95.61713	1.2
95.87199	1.4
97.02879	2.6
97.06514	6.1
99.08103	7.1
100.07600	3.9
103.05463	3.2
105.03386	1.7
105.04478	1.5
105.07024	22.6
107.04952	100.0
107.08576	7.3
109.02875	6.1
109.06514	6.7
109.10107	2.9
111.04423	3.9
111.08071	9.5
112.11221	1.6
115.05448	3.9
117.07005	24.0
119.04928	6.0
119.08576	7.4
121.02865	12.4
121.06503	15.1
121.10167	3.4
123.04427	11.5
123.08060	17.0
127.05830	1.5
128.06181	3.3
129.06993	3.7
131.04900	4.3
131.08554	18.8
133.06482	5.9
133.10118	2.7
135.08054	3.5
135.11681	14.0
137.05980	1.5
137.09628	1.7
141.06984	11.6
143.08568	5.2
144.09300	1.7
145.06487	29.0
145.10118	16.7
146.07246	1.7
149.02339	73.4
149.13226	3.8
150.02647	1.8
154.07755	4.8
159.08089	8.0
159.11696	27.1
161.09618	2.7
163.11136	2.2
167.03363	1.8
169.10135	17.0
177.12740	7.4
187.11162	45.8
187.14758	1.9
190.04906	1.5
205.12241	35.3
205.14125	4.7
205.15796	6.7
205.19455	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.07067	0.6
70.60778	1.4
70.61140	1.2
74.02441	1.2
80.37463	0.6
89.17431	0.5
91.05464	2.6
106.53348	0.6
109.22610	0.6
115.05414	3.4
117.05725	1.9
117.06987	2.9
118.06540	44.9
130.06506	3.4
132.08087	12.7
138.35204	0.7
142.06502	4.6
143.07310	7.1
144.08084	20.0
146.06003	100.0
147.06345	2.4
149.02325	1.1
159.09167	10.3
160.07602	1.5
163.05901	0.9
170.05998	8.3
188.07060	73.6
189.07426	1.0
202.12498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.3
53.03947	2.5
55.05508	100.0
56.05839	1.1
56.96564	1.4
57.07070	3.4
58.06598	0.9
58.99584	7.9
60.04518	1.0
60.05645	0.7
60.10739	0.3
60.51392	0.3
65.03944	2.0
67.05496	1.4
68.05043	0.4
69.03434	1.0
69.07053	0.8
70.06596	0.5
70.36961	1.1
71.27584	0.3
72.08161	1.7
74.02453	0.3
75.17434	0.3
79.05489	1.4
81.03422	0.9
81.07047	0.9
83.04988	0.7
83.08614	75.1
84.04516	0.5
84.08154	2.1
84.08959	0.9
85.02888	1.0
86.02440	0.6
86.99049	8.0
86.99574	0.5
91.05471	3.0
93.03387	0.9
93.07050	2.5
95.04967	0.8
95.08607	1.0
97.02893	1.0
97.07716	0.3
98.03192	0.4
98.06057	0.4
98.09663	0.6
98.34364	0.3
100.07619	2.0
101.09662	1.7
103.05468	1.1
105.00091	4.9
105.07024	2.3
107.04940	1.3
107.08596	1.9
110.07204	0.4
110.07957	0.4
111.04449	0.8
112.11228	0.5
115.05392	2.0
116.06220	0.4
116.98624	0.5
117.07026	3.1
118.06530	1.8
119.04954	0.3
119.08555	2.0
121.02856	4.0
121.03787	0.4
121.04089	0.4
121.06499	3.1
121.10117	1.0
123.04412	0.5
123.08031	0.6
127.03981	0.3
127.08655	0.5
128.07065	1.3
129.06995	0.7
130.07785	0.4
131.04919	0.8
131.08565	2.2
133.10106	0.6
135.04388	0.4
135.08026	0.8
135.11707	0.8
144.05717	0.9
144.08084	0.6
144.09293	1.3
145.06490	3.0
145.10155	2.2
146.06017	3.7
147.04396	1.1
147.07962	0.9
149.02335	21.6
149.05980	0.9
149.09607	0.4
149.13206	0.7
155.05968	0.4
159.04501	0.4
159.08038	1.0
159.09229	0.4
159.11685	2.9
160.07504	0.8
161.05965	0.9
162.10318	0.4
163.03867	0.5
163.07533	0.5
163.11113	0.8
167.03413	0.6
172.08827	0.6
173.05954	1.3
175.07541	0.6
177.09077	0.6
177.12723	2.4
178.04997	0.5
187.07454	0.6
187.12003	1.6
188.07062	2.8
198.31914	0.3
205.03300	0.5
205.04965	0.8
205.08537	1.8
205.12256	3.8
205.14119	1.1
205.15878	1.3
205.19638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01863	1.5
55.05507	0.9
56.05022	3.3
60.04521	2.7
61.02929	6.7
68.05022	2.4
69.03424	5.2
69.81285	5.0
70.06586	2.2
72.04529	1.2
80.05009	1.7
81.03416	4.8
82.02931	0.8
82.06569	1.1
83.01331	0.9
83.05013	1.0
84.04498	100.0
84.08142	1.0
85.02907	1.0
96.04482	19.2
96.05111	1.0
97.02882	6.5
98.02419	0.7
98.06048	11.2
99.04447	1.9
104.60060	0.7
108.04475	1.8
109.02832	5.0
114.05524	1.9
120.04459	1.1
124.03928	0.8
126.05509	73.1
127.03923	2.6
138.05492	83.8
139.05899	1.4
144.06554	23.8
145.65840	0.6
149.02234	0.9
168.06587	6.4
186.07698	2.5
204.08699	3.1
204.13774	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	204.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91956	0.8
53.03930	1.4
55.01861	1.8
55.05511	6.8
56.05027	4.9
57.07050	2.4
58.06349	0.9
58.06593	11.3
60.04267	1.2
60.04523	14.3
61.02929	7.0
67.05500	7.7
68.05028	8.7
69.03401	3.9
69.07047	3.7
70.06588	5.6
71.04974	1.6
71.58351	1.0
71.58728	1.5
72.04522	5.1
72.08147	4.4
78.37108	0.9
79.05480	6.3
80.04984	3.0
81.03423	4.4
81.07056	5.6
82.06557	1.9
83.01313	0.8
83.04974	1.2
83.08604	2.6
84.04499	100.0
84.08141	35.5
85.02876	3.4
85.04787	1.7
85.08475	1.8
87.05408	1.0
91.05467	4.7
93.07022	5.4
95.04950	1.3
95.08578	4.4
96.03903	1.5
96.04483	21.1
96.08115	1.6
97.02300	1.2
97.02886	13.8
97.05350	0.8
98.06055	10.1
98.09679	8.6
99.04429	2.2
100.07610	36.6
100.11208	2.9
101.07916	1.2
103.05449	0.9
105.07047	5.4
106.07336	1.2
106.59172	1.0
107.08557	2.6
109.02847	3.1
109.10137	1.7
110.06030	2.9
110.09659	1.9
110.10449	1.3
111.04374	1.2
112.11243	14.7
113.11549	1.5
114.05511	9.9
115.05459	5.6
116.07088	1.1
117.07025	6.7
119.08566	2.7
119.59927	3.1
120.04437	1.2
120.08064	1.4
121.02897	1.3
121.06435	2.8
121.10091	2.9
124.03910	1.6
126.05507	73.1
126.60697	1.4
127.03894	2.7
129.13846	6.3
130.07513	0.8
130.14171	1.0
131.04907	1.2
131.08592	1.4
135.11604	1.0
136.06172	1.0
138.05490	54.8
141.11452	2.5
144.05525	1.7
144.06549	17.4
145.06473	11.7
145.10117	6.5
149.02333	13.1
155.11798	1.6
156.06549	1.0
158.08104	1.1
159.11656	2.9
161.06007	1.3
163.14751	1.1
168.06544	6.5
171.14879	1.1
173.06023	4.7
173.07323	0.9
174.09116	1.5
175.07539	1.0
177.12758	0.9
182.15356	1.9
186.07559	1.2
188.10719	6.3
189.11459	7.5
190.06215	1.3
194.18999	5.7
195.67741	3.3
204.06671	2.4
204.08600	7.6
204.10550	1.6
204.13811	35.7
204.18062	1.8
205.04883	1.3
205.08601	3.1
205.12209	2.5
205.13963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05040	0.4
56.96566	0.9
57.07058	0.4
58.06598	0.4
60.04520	8.9
61.02925	0.5
63.33138	0.1
65.03942	0.6
67.05500	0.2
68.05025	3.0
69.03429	0.7
70.06581	0.3
70.16613	0.5
71.04956	0.2
72.04515	0.4
72.08164	0.5
73.02887	0.2
74.02432	1.6
79.05496	0.3
81.03419	0.3
81.07050	0.2
82.06588	0.2
83.04984	0.2
84.04497	2.3
84.08131	1.2
85.02900	1.3
90.94846	0.2
91.03968	0.2
91.05464	2.8
94.06562	0.2
96.04485	3.2
97.02885	4.0
98.06052	0.8
98.97578	0.3
99.04472	0.5
100.07589	0.9
103.05473	1.3
104.05012	0.3
105.07022	1.0
106.06544	2.5
107.04939	0.7
109.02853	0.3
110.06025	1.0
110.09721	0.2
112.11250	0.4
114.05531	3.4
115.05447	6.2
116.04953	0.3
116.98611	0.4
117.05756	3.2
117.07008	3.1
118.06533	48.7
119.04922	0.3
120.08111	0.3
121.02877	0.5
122.06044	0.3
123.04482	0.2
126.05509	3.6
127.03863	0.3
128.04895	0.2
129.13852	0.3
130.06519	10.0
131.04916	1.9
131.06799	2.2
132.04405	0.6
132.08081	13.7
133.05219	0.7
133.06482	0.7
133.18065	0.2
134.06006	19.2
134.99615	0.3
135.06366	0.4
138.05470	0.6
140.04889	0.2
140.07089	0.4
142.06512	5.2
143.06322	0.1
143.07292	7.9
144.04495	0.9
144.08072	21.7
145.06499	0.9
146.05997	100.0
147.04407	0.8
148.04808	0.2
148.07558	0.5
149.02313	2.9
150.05489	0.2
155.06081	0.4
156.06540	0.4
157.07619	0.4
158.06012	5.3
158.07982	3.6
159.06844	4.0
159.09160	9.6
160.03958	0.3
160.07573	7.1
161.08144	0.3
162.05493	21.6
163.05817	0.5
168.06525	0.9
170.05998	7.8
176.07001	0.8
177.11276	0.3
177.12730	0.2
186.05508	4.2
186.07510	0.6
188.07051	67.2
189.11464	0.7
192.03622	0.2
204.06560	6.3
204.08578	4.1
204.10437	0.4
204.12137	0.3
204.13841	4.1
205.09717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03941	1.9
55.05511	16.2
57.07064	3.8
58.06595	2.3
60.04507	3.0
62.38401	1.0
67.05499	15.0
68.05016	1.1
69.07064	23.8
71.58015	1.1
72.08161	1.7
79.05496	11.3
81.07051	29.5
83.08612	6.8
84.04506	9.3
84.08144	9.7
91.05478	20.4
93.07044	15.9
95.04964	2.2
95.08601	38.5
96.04485	2.5
97.02881	1.8
97.10157	2.8
98.06059	1.3
98.09696	2.2
100.07603	6.1
103.05489	1.9
104.06236	1.5
105.07029	69.9
107.08588	23.6
109.06485	2.1
109.10154	27.3
112.11234	12.4
115.05446	5.0
117.07001	7.0
119.08577	81.8
121.10146	19.3
123.11690	6.2
126.05500	5.0
128.06227	6.5
129.07051	2.3
129.13853	5.4
131.04919	2.0
131.08548	9.5
132.05746	1.6
133.06432	1.4
133.10126	72.4
134.10460	1.5
135.11673	8.0
138.05525	5.4
142.07768	1.3
143.04865	2.0
143.08562	6.5
144.06604	1.3
145.06490	1.9
145.10120	35.6
146.10880	1.4
147.04378	1.3
147.11685	79.7
148.12112	1.5
157.07646	1.4
157.10065	2.4
159.11667	9.7
160.05205	3.8
160.12489	10.5
161.05887	2.0
161.09593	1.2
161.13246	44.6
171.08009	4.8
173.13295	3.5
174.06747	2.4
174.14095	1.2
175.07539	6.6
175.14775	6.4
185.09848	1.2
188.04781	1.2
188.08286	1.8
188.15637	1.4
189.11446	1.7
203.06985	6.7
203.10661	8.0
203.14272	3.8
203.17947	100.0
204.13933	6.9
204.18234	3.9
221.54099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.02384	0.8
53.03921	1.6
55.01868	1.1
55.05511	13.1
57.07067	3.5
58.06580	2.2
60.04512	2.7
67.05509	18.6
68.05020	1.1
69.03454	0.9
69.07069	25.6
69.66769	2.1
69.67191	4.4
70.06590	1.9
71.08623	0.9
72.04520	1.0
72.08155	2.3
77.03880	0.9
79.05488	11.9
81.07059	35.8
83.04947	1.1
83.08616	7.0
84.04508	8.3
84.08145	8.1
85.02871	1.2
91.05481	23.3
93.07044	18.4
95.04953	1.9
95.08608	45.7
96.04482	2.6
97.02880	2.4
97.10175	2.1
98.09693	1.4
98.21410	1.3
100.07621	6.5
103.05468	1.3
105.07031	77.4
106.07321	1.2
107.08595	21.7
109.06519	1.5
109.10155	30.7
112.11249	8.1
114.05540	1.6
115.05441	3.8
117.07010	4.5
119.05025	1.1
119.08583	81.4
120.08886	1.7
121.10146	19.7
123.11716	7.6
125.95284	1.0
126.05536	6.6
127.03931	1.0
128.06242	4.6
129.06976	2.4
129.13898	5.2
130.07745	1.2
131.04881	1.2
131.08580	8.3
132.05698	1.0
133.10133	67.7
135.11678	6.9
138.05505	4.2
142.07762	1.8
143.04938	1.8
143.08575	5.1
144.06577	1.3
144.09283	0.9
145.06499	2.9
145.10112	26.8
146.10733	1.0
147.04398	1.8
147.11688	77.8
148.12070	1.8
157.06502	1.2
157.10204	2.2
159.11719	8.2
160.05211	3.9
160.12447	9.9
161.05963	1.3
161.13257	41.5
162.06717	2.6
171.08023	3.5
173.13164	1.6
174.13966	2.1
175.07533	6.8
175.14804	7.8
185.13210	1.1
188.04771	1.7
188.08382	2.3
188.10477	1.2
188.12019	1.0
203.07030	6.3
203.10658	10.8
203.14339	3.4
203.17957	100.0
204.13834	6.8
204.18237	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.25267	0.8
50.53414	0.8
53.03935	3.1
55.01864	1.8
55.05511	13.9
56.05023	0.8
57.07051	2.3
58.06585	2.6
60.04507	3.1
61.02906	1.6
61.38783	0.8
65.03915	1.8
67.05505	29.9
68.05040	1.5
69.03412	2.5
69.06729	1.6
69.07067	21.2
70.06586	1.5
71.38997	0.7
71.58299	1.1
72.08157	5.1
77.03935	1.3
79.05494	16.5
81.03419	2.0
81.07059	50.4
82.37351	0.9
83.08610	5.8
84.04507	28.2
84.08141	10.5
91.05477	23.6
92.05815	1.1
93.06473	1.7
93.07043	27.5
95.04972	2.0
95.08607	74.4
96.04489	6.1
96.08941	1.2
97.02882	3.4
97.10123	1.3
98.06038	2.1
98.09684	1.8
100.07612	7.3
103.05447	1.3
104.06258	1.1
105.07034	75.1
106.07339	1.1
107.04944	1.2
107.08597	45.0
109.02847	1.2
109.06508	2.5
109.10158	60.1
110.06004	1.0
110.40466	1.0
112.11241	11.2
114.05523	1.1
115.05444	4.7
115.86916	0.8
116.06254	1.0
116.07030	0.9
117.07020	7.1
118.07787	1.0
119.04904	0.9
119.08582	74.5
121.06479	0.8
121.09324	1.4
121.10149	23.8
123.11692	8.4
126.04572	1.1
126.05524	19.1
126.62451	0.8
127.03870	0.8
128.06252	6.7
129.06992	3.3
129.13867	6.8
130.06514	1.0
131.04910	1.9
131.08563	8.0
131.58820	0.8
132.05656	1.9
133.06470	1.8
133.10132	59.8
134.10484	1.1
135.11681	8.0
138.05495	17.9
141.07034	0.9
142.07764	2.9
143.04910	1.8
143.08566	6.5
144.06535	4.7
144.09363	1.1
145.06476	3.8
145.10117	14.6
147.04416	1.3
147.08022	2.8
147.11690	80.7
148.12091	1.6
157.10107	4.9
159.08015	1.4
159.11694	5.8
160.05159	4.9
160.12517	5.5
161.05904	1.3
161.09624	3.1
161.13258	28.1
161.14609	1.4
162.06743	1.6
171.04482	1.1
171.08052	3.7
173.05916	1.1
173.13225	1.1
174.06784	2.1
174.14055	1.8
175.07555	9.0
175.11179	2.1
175.14815	7.6
185.06017	1.1
185.09659	2.5
185.13307	1.6
188.04721	2.2
188.08305	1.9
188.15482	1.5
189.11426	1.6
203.06992	6.4
203.10645	10.9
203.14301	5.8
203.17957	100.0
204.08652	2.0
204.13841	7.9
204.18307	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	H-ILE-ALA-OH
Peak:m/z	Relative Intensity
55.01867	0.7
55.05507	0.9
56.05030	1.1
56.96569	2.2
57.03444	1.4
58.06598	0.9
59.04998	0.5
60.04526	3.3
61.01145	0.3
61.02925	0.8
67.05499	0.6
68.05038	1.8
69.03428	0.8
69.07063	1.2
70.06591	1.9
70.70020	0.5
70.70415	0.5
71.04995	0.8
72.04522	0.4
72.08138	1.4
73.02938	0.3
73.48857	0.2
74.06065	0.2
79.05493	0.5
80.05000	0.3
81.03417	0.7
81.07063	0.5
82.06594	0.7
83.04987	0.8
84.04512	2.3
84.08141	2.7
85.02910	1.0
85.04875	0.3
86.06065	0.5
86.09705	100.0
87.04504	0.3
87.10024	1.3
88.04001	0.4
90.05586	0.5
91.05482	0.5
96.04494	2.4
97.02892	2.8
98.06042	0.5
98.09695	0.4
98.97588	0.9
99.04445	0.7
99.08080	0.4
100.02192	0.5
100.07638	0.5
102.05543	0.5
110.06050	0.8
110.07168	0.5
111.04423	0.3
112.07627	0.4
112.11251	1.1
114.05527	2.7
115.03918	0.6
116.07107	0.8
116.98658	0.6
119.01917	0.8
119.04953	0.4
119.08572	0.6
120.40987	0.3
122.06027	0.2
125.02428	0.3
126.05518	1.9
127.01559	0.3
127.03974	0.3
128.07077	0.8
129.07402	0.7
129.10243	0.3
129.13884	0.4
130.06523	14.4
130.08650	0.9
131.00224	0.3
131.06046	0.3
131.06932	0.4
132.10185	1.3
133.03494	0.4
133.10141	0.3
134.99678	0.8
136.11205	0.6
137.02969	0.3
138.05463	0.6
140.05009	0.3
140.07071	0.4
141.10149	0.3
143.03429	0.9
144.06552	0.4
146.99658	0.5
147.04395	1.2
156.06750	0.4
157.07608	20.5
157.13329	0.4
158.08032	1.7
158.11827	0.4
161.01157	0.4
161.02971	0.5
168.06561	0.3
168.13834	0.3
171.03014	0.4
175.07590	0.5
177.00729	0.4
185.07132	0.9
186.07573	0.5
191.04019	0.4
203.05260	0.9
203.08186	9.6
203.10886	0.6
203.13893	1.2
204.08662	2.1
204.13863	0.7
219.85318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84632	8.7
54.38019	9.4
56.85349	9.4
56.96567	10.1
64.08714	10.1
67.85902	11.5
70.06213	58.5
70.80611	11.9
84.08147	16.2
98.21513	11.6
119.01897	100.0
120.02048	23.7
137.02939	47.1
138.03114	13.3
142.03510	28.0
160.04597	23.8
174.98528	20.2
178.01054	27.6
179.03976	22.0
220.02118	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	203.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82369	2.3
53.03932	8.1
55.01870	22.3
55.05515	16.7
56.96560	10.9
57.03423	10.4
57.07087	4.6
60.04526	2.8
61.02904	7.4
67.05503	20.3
67.07925	2.4
69.03416	9.9
69.07048	11.7
69.51530	20.5
70.06598	3.4
71.04986	3.7
72.08133	5.3
73.02928	5.0
76.25191	2.5
79.05493	30.9
81.03419	6.8
81.07056	40.7
82.07362	2.5
83.04971	4.1
83.08595	12.0
84.04506	2.8
84.08123	8.9
85.02900	4.1
86.09698	6.5
88.02176	4.0
91.05477	49.4
92.05824	2.5
93.07040	100.0
95.04971	11.8
95.08604	21.3
97.02865	9.2
97.06535	2.5
98.97559	8.8
100.07610	6.8
105.02075	2.6
105.07027	30.5
107.04972	3.0
107.08574	21.1
109.06504	8.0
109.10139	11.7
111.08074	26.8
112.11240	12.0
114.05457	3.4
115.05423	2.8
116.98672	6.0
117.06985	4.0
119.08577	38.1
121.06580	3.3
121.10167	16.3
123.08080	2.7
125.09628	2.4
126.05517	4.1
128.06230	3.0
128.98553	3.3
129.07016	5.0
129.13876	7.0
131.05005	2.5
131.08571	17.3
134.99667	5.0
137.09625	15.9
139.11188	3.0
145.06560	3.0
147.11717	3.5
149.09601	9.2
155.10670	5.4
157.07584	4.1
157.10036	5.3
161.09550	3.2
166.68367	2.5
167.10632	5.4
175.07578	5.4
177.00697	2.5
185.09673	2.3
203.06976	8.3
203.10587	3.8
203.14400	4.2
207.74194	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77762	0.7
53.03928	1.8
55.01856	3.5
55.05507	5.8
56.05027	8.8
56.96302	1.1
56.96564	21.1
57.03434	8.8
57.07054	0.9
58.06586	1.8
60.04522	1.5
60.05635	3.3
60.57141	0.7
61.01150	0.9
67.05506	4.5
67.05819	0.8
68.05035	5.5
69.03428	6.4
69.07065	11.1
69.95174	3.6
69.95578	1.8
70.02957	2.0
70.06593	32.3
71.04986	1.9
71.07317	1.2
71.95264	1.0
72.04495	2.3
72.08157	5.1
73.02924	3.8
74.06081	1.9
74.97589	0.9
78.00981	1.3
79.05494	6.6
80.05012	1.5
81.03402	2.2
81.07053	11.1
82.06590	9.5
82.94849	1.5
83.04993	1.0
83.06104	2.8
84.04507	28.4
84.08143	35.8
84.96002	0.9
85.02924	6.2
85.04819	1.2
85.06557	4.3
86.06071	20.3
86.09708	20.0
87.04467	26.0
88.03974	0.9
91.05477	10.3
93.07040	29.0
94.06551	1.8
95.01954	1.1
95.04963	3.6
95.07372	1.0
95.08600	3.9
96.01998	1.0
96.04483	1.6
96.08134	6.2
97.02888	1.4
97.06535	17.3
98.06051	2.5
98.09689	3.4
98.97578	8.0
99.08092	7.1
100.03963	1.0
100.07616	53.2
101.00799	1.2
102.05550	4.5
104.07092	1.7
105.07010	1.2
107.04945	1.7
107.08581	2.1
108.08082	2.1
109.02894	1.0
109.06485	1.3
110.06064	1.5
110.07156	3.1
110.09683	44.8
111.00772	0.9
111.04452	1.0
112.07612	7.2
112.08749	1.3
114.05500	1.8
114.09165	12.0
115.08775	1.0
116.07087	3.0
116.10713	1.2
116.98611	9.2
118.03537	2.6
118.96754	1.4
119.01926	15.9
119.08564	3.2
120.02000	7.5
120.03239	0.8
121.01634	4.3
122.06081	1.5
124.07619	1.0
126.05499	1.1
126.09145	15.9
128.07080	100.0
128.98633	1.8
129.07399	1.1
129.10223	3.6
130.04973	1.4
130.08730	0.9
130.09752	1.3
131.01910	2.6
133.03458	2.2
134.03624	1.5
134.99660	14.4
135.03149	1.0
135.08040	1.7
135.99910	0.9
136.04538	2.0
136.06201	3.7
136.07520	2.4
136.11177	1.3
137.02936	9.4
137.05920	2.3
138.03059	3.6
138.09125	5.5
139.02602	1.2
140.03395	5.2
140.07074	2.4
141.10222	1.9
142.03563	1.1
142.08629	2.2
144.10188	7.0
144.99814	2.8
145.03441	1.2
146.99646	2.3
149.02921	3.0
152.04556	0.8
152.07025	1.0
153.00674	3.4
153.04263	1.3
154.03540	1.0
154.08632	18.6
154.09821	1.4
154.12253	5.1
155.08975	1.1
155.11777	4.1
156.10219	4.4
157.10997	0.9
158.01271	2.2
158.04510	10.1
158.08086	2.2
158.99693	1.7
161.02957	0.9
164.10724	1.8
167.04399	3.3
168.01428	2.1
172.04498	3.0
172.09694	8.3
173.01271	1.0
173.02887	1.1
173.12901	1.3
175.02852	4.2
175.04172	0.9
175.11929	4.6
176.01013	2.3
176.02374	2.6
177.00713	5.4
177.02477	3.3
182.08102	2.4
182.11740	2.4
183.08472	2.5
183.11252	1.3
186.04010	1.1
190.05621	1.9
191.03989	1.5
193.03821	5.3
194.02046	1.9
195.01811	0.9
195.03583	1.7
200.04007	2.1
200.07661	1.0
200.09125	5.1
200.12819	31.3
200.19104	1.2
201.00732	0.9
201.02428	3.0
201.12326	14.4
218.05164	1.9
219.01643	1.9
219.03499	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	200.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18747	0.3
55.01625	0.6
55.01873	7.8
55.05512	3.0
56.01394	0.9
56.05043	3.6
56.96553	0.7
57.03438	1.8
57.07068	1.5
67.05521	2.4
68.05021	0.5
69.03413	0.6
69.07056	2.0
70.02956	6.1
70.06600	2.4
70.69910	1.3
71.04990	0.5
71.07378	0.9
72.04514	0.6
72.08155	1.6
73.02924	4.3
73.06569	0.4
82.06576	2.7
83.05004	1.0
84.04495	1.3
84.08144	100.0
85.06543	20.6
85.08458	0.7
86.09712	2.0
98.02430	2.8
98.06080	0.7
98.97596	1.1
100.03984	1.0
100.07635	0.7
101.05997	0.5
108.04512	0.5
110.06050	0.8
111.04449	0.4
112.07610	4.4
116.03469	0.9
116.07140	0.5
116.98656	0.7
122.06078	0.4
124.27898	0.4
126.09152	28.1
127.11874	0.4
128.07066	2.0
134.99660	0.9
136.07567	0.9
137.06003	0.4
138.09093	0.7
139.07571	1.6
140.07051	2.4
141.10289	0.4
141.79628	0.4
144.10201	40.3
145.10538	0.4
154.03210	1.1
154.08635	6.7
158.08189	0.9
172.09689	22.6
182.08174	2.0
200.03751	0.9
200.05489	0.5
200.09166	8.9
200.12851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.148
Annotation	CADALENE
Peak:m/z	Relative Intensity
51.02370	0.7
53.03930	1.5
55.01859	0.9
55.05507	6.5
56.05826	1.4
56.96552	2.6
57.07056	2.6
58.07389	0.6
59.55882	0.6
64.51359	0.6
65.03923	0.9
67.05489	1.8
69.03413	0.6
69.07059	6.6
70.06589	0.6
70.07401	1.0
71.58297	0.5
72.04505	1.1
72.08151	1.0
74.09721	5.1
77.03944	0.8
79.05487	8.0
81.07044	3.8
83.08595	2.2
84.08128	1.4
91.05473	11.5
93.07038	15.1
95.04958	3.1
95.08617	1.0
97.06523	1.0
98.10491	0.8
98.97558	0.7
100.07599	3.3
103.05466	0.7
103.96730	0.6
105.04506	1.0
105.07022	22.4
107.08578	7.8
111.04426	1.6
115.05447	2.6
116.97212	3.6
117.07024	2.1
119.08576	21.8
121.10126	1.0
128.06212	12.9
129.07001	14.5
130.07738	1.0
131.08574	4.1
131.99510	0.7
133.10098	1.9
141.06976	9.0
142.07767	34.7
143.08553	42.9
144.09238	2.5
145.10124	4.0
145.86043	0.6
152.96953	1.4
154.07704	0.8
155.08543	10.1
156.09340	22.1
157.10118	73.5
158.10771	2.5
169.08737	1.2
169.10124	22.6
169.11566	1.1
170.10904	12.3
170.97894	0.7
171.08008	1.0
171.11678	31.4
172.12064	1.0
175.98482	1.6
183.11710	1.5
184.08867	2.0
184.12462	22.7
197.13258	1.2
199.07544	1.6
199.11195	6.4
199.14812	100.0
199.18825	25.7
200.15141	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	199.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.0
56.05035	37.5
56.96567	16.7
57.04546	12.7
57.07079	3.9
57.82705	2.4
57.93553	5.6
58.99857	3.3
61.65012	2.7
69.07055	3.7
69.67252	2.4
71.05001	3.4
71.56236	4.1
72.04511	3.9
74.09721	16.3
75.94615	4.6
77.00899	3.7
77.40978	2.4
80.36113	2.5
80.55515	2.5
81.03390	4.1
81.07057	4.1
83.06107	3.0
83.08613	5.8
98.97583	27.8
99.04451	5.1
99.05595	14.2
100.02478	4.7
100.07603	5.8
101.00880	7.0
103.00611	2.7
104.00963	2.7
107.08568	3.0
111.04446	8.3
116.00191	3.8
116.01943	12.2
116.97251	29.2
116.98609	38.4
118.03524	54.5
119.01920	81.1
120.02052	5.2
120.48221	2.7
121.01674	16.5
128.00809	3.3
130.03513	14.4
131.01878	3.1
131.99509	8.4
132.05090	7.1
133.04614	6.2
134.02992	100.0
134.04727	6.5
134.99670	42.7
135.03185	2.9
136.04559	91.0
137.02968	52.8
137.04707	3.9
138.03061	3.9
139.02701	11.0
142.03482	12.5
145.04582	3.5
148.04558	3.6
148.96223	6.4
150.06122	10.5
152.04053	31.6
152.05858	9.3
152.96938	12.0
153.00668	14.9
154.03629	3.2
156.97433	5.5
157.04570	42.0
158.01768	2.9
158.02910	14.7
158.51448	3.2
159.04990	4.1
159.06148	7.6
160.04556	22.4
170.98007	4.4
171.04973	2.9
172.04543	12.7
173.07777	5.8
174.06033	5.8
174.98575	12.4
175.04120	10.5
175.05672	66.7
175.98529	24.8
176.04053	43.7
176.05858	24.6
177.00905	11.3
177.06039	3.2
178.05598	6.8
190.05643	7.0
192.98788	4.6
193.05119	4.7
193.06755	31.3
194.05090	14.0
194.06953	12.6
198.07175	3.8
199.03984	5.9
199.04314	3.9
199.05650	25.1
199.18869	89.8
200.04042	4.7
217.05400	5.1
217.06850	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.4
56.96564	2.4
58.44878	0.2
60.73544	0.3
67.77336	0.3
71.05717	0.6
74.06068	0.4
74.09718	0.6
83.08628	0.5
84.08156	0.4
98.97586	1.8
101.00893	0.6
113.36733	0.3
116.98628	2.2
118.03525	0.6
119.01931	4.2
120.01997	0.5
120.95381	0.6
121.01679	1.1
131.01913	0.4
134.02988	1.0
134.99704	2.0
136.04546	0.9
137.02956	2.3
138.96335	2.1
139.02682	0.6
142.03535	0.6
147.01340	0.3
149.03040	0.4
152.04097	0.5
153.00725	0.5
156.97481	41.7
157.04576	0.5
157.97563	1.2
166.99200	0.7
174.98540	100.0
175.98619	3.2
176.04294	0.3
176.05948	1.0
176.98949	0.8
177.00844	0.4
179.99115	1.7
187.04800	0.3
192.03499	0.3
192.98589	0.4
193.06734	0.3
194.06870	0.4
198.00185	2.9
198.02008	0.4
198.18559	1.9
198.98532	6.0
199.00291	0.6
199.18900	1.9
199.98651	0.3
216.96252	1.0
216.99593	23.4
217.99753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03931	1.5
55.01858	2.6
55.05511	5.6
56.05031	0.9
57.03434	1.2
57.07058	3.5
59.04990	3.5
60.66079	0.8
65.03928	2.4
67.05500	10.0
69.03413	2.1
69.07047	2.9
69.78570	0.7
70.93185	1.7
70.93549	1.3
70.95851	4.7
71.01337	1.0
71.04977	1.9
72.93777	3.4
73.97730	0.7
77.03901	1.2
79.05487	9.8
81.03420	0.9
81.07058	12.6
83.04979	2.1
84.08117	2.4
85.06546	2.0
88.43081	0.7
88.96880	1.7
91.04905	1.2
91.05481	26.4
93.07038	28.7
95.04971	13.6
95.08603	6.8
97.06555	0.9
98.21091	0.9
100.07606	2.8
101.07206	0.8
103.05454	1.2
105.03374	1.4
105.07029	39.3
107.04940	1.7
107.08591	83.6
109.06517	9.4
109.10156	8.7
111.98461	2.8
113.05965	1.7
113.08207	1.3
117.07000	2.1
118.07797	0.9
119.04936	3.6
119.06068	2.0
119.08567	12.1
121.06516	5.1
121.10123	1.8
123.04429	7.6
123.08029	2.2
123.11691	3.7
125.05986	1.3
128.06210	1.6
129.99495	2.9
131.08557	2.6
132.95857	4.3
133.02840	1.4
133.06491	1.7
133.10129	80.6
134.10432	0.8
135.08034	2.8
135.11685	54.6
136.05064	0.9
137.05974	7.4
137.08139	1.0
137.09641	6.7
139.03880	1.1
139.07512	1.0
141.05438	1.3
141.06992	1.6
143.08551	2.2
146.07240	2.7
150.96858	13.2
151.03920	2.9
151.07536	1.8
151.11177	7.5
151.55490	0.8
153.06935	1.0
154.06293	0.9
155.08452	1.3
155.97435	3.5
161.09613	36.0
164.14169	0.8
165.05412	1.7
168.97935	1.6
169.08614	0.9
169.10114	1.8
173.98492	6.4
179.10664	100.0
180.11000	1.8
182.07242	0.8
182.10852	1.9
197.05971	1.2
197.08023	2.1
197.11725	55.4
197.13190	2.3
198.11902	1.0
198.18472	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	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
50.11031	0.5
53.03941	1.4
55.01865	1.3
55.05500	1.6
57.03434	0.6
57.07077	0.5
59.04991	0.8
61.02920	1.1
65.03925	1.1
67.05498	3.2
69.03421	1.3
69.07079	0.5
70.14661	1.8
70.95841	1.2
72.08160	0.6
72.93771	1.1
73.02917	1.0
79.05489	7.7
81.03403	0.5
81.07052	6.9
83.04974	1.0
84.04495	0.8
84.08144	0.6
86.09690	0.5
91.05476	18.0
93.07037	16.4
95.04955	2.9
95.08611	3.9
97.06517	1.5
98.20951	1.0
99.04448	0.6
100.07638	0.9
103.05453	0.8
105.03353	0.6
105.07026	31.1
107.04946	1.3
107.08589	100.0
108.08906	1.2
109.06515	6.2
109.10151	4.5
111.04357	0.6
111.98446	0.7
113.08238	1.0
115.05428	1.1
117.07008	1.2
118.07804	1.1
119.04950	1.9
119.05993	0.8
119.08571	11.4
121.06508	2.6
121.09315	0.9
121.10146	12.8
123.04424	0.8
123.08054	1.7
123.11715	3.0
124.42685	0.5
125.05987	1.6
125.09579	0.7
128.06197	1.0
129.99518	0.8
131.08588	3.2
132.05649	0.8
132.95836	1.2
133.02866	1.2
133.06503	1.1
133.10124	63.1
134.10463	0.8
135.08101	0.7
135.11679	6.2
137.05959	5.4
137.09622	3.0
139.07521	2.0
140.98506	0.4
141.06908	0.5
143.08542	2.2
146.07237	1.6
149.09616	6.7
150.96904	3.4
151.03917	0.6
151.07547	2.5
151.11183	12.4
153.06894	0.7
154.06282	0.6
154.07776	0.5
155.09351	0.5
155.97459	1.0
161.09604	15.7
161.10942	1.0
165.05467	1.0
167.10670	15.5
169.10147	0.9
173.98459	1.9
179.10663	31.1
197.09950	1.3
197.11728	34.0
198.18510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.01593	0.7
50.64131	0.6
51.02390	1.2
53.03943	6.0
55.01865	2.3
55.05506	4.9
56.05035	1.2
56.96560	0.8
57.03436	2.2
57.07064	1.3
58.06594	2.1
59.04993	3.9
59.30814	0.7
65.03949	1.9
67.05504	8.7
69.03422	1.8
69.07061	2.1
69.61760	5.7
70.06594	3.1
70.95859	1.8
71.04996	0.9
72.08161	1.5
77.03928	1.2
79.05493	12.6
81.03424	1.2
81.07056	9.2
83.04996	1.3
84.08151	4.0
84.42860	0.9
91.05480	22.9
92.26856	0.7
93.07041	24.3
95.04967	24.1
95.05561	1.4
95.08602	3.0
97.02846	1.0
97.06497	0.8
98.21306	2.7
100.07619	2.6
103.05460	1.1
105.03391	100.0
105.04534	2.5
105.07027	37.9
106.03696	1.0
107.04941	1.7
107.08594	67.5
109.06535	11.1
109.10152	6.7
111.98483	1.5
112.11240	1.4
113.08223	2.0
117.06998	1.7
119.04944	3.1
119.06007	1.0
119.08587	8.3
121.06525	5.7
121.10161	1.5
123.04424	8.8
123.08043	1.6
123.11686	3.2
125.05987	3.0
127.03912	1.2
129.99510	1.8
131.08583	3.8
132.95842	2.5
133.10127	72.6
134.10435	0.9
135.08109	1.7
135.11690	48.4
136.11967	1.2
137.05974	9.0
137.08167	0.8
137.09616	3.9
140.14354	2.9
142.15924	0.8
143.08586	1.8
146.07260	1.8
150.96898	7.0
151.03873	3.8
151.11198	6.2
154.15915	5.0
155.09268	1.2
155.97446	1.4
161.09624	32.3
165.05511	1.2
167.07021	1.2
173.98526	5.2
179.07106	3.3
179.10670	87.1
180.11020	1.6
197.04501	1.1
197.11728	40.2
197.13206	1.7
198.12082	1.0
198.18526	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	4.3
56.96551	2.6
57.07065	3.0
58.99873	2.2
61.75205	0.8
62.11851	0.9
67.05501	1.2
68.05043	1.1
69.03424	1.9
69.07066	1.8
70.06570	2.1
70.37603	0.9
70.74597	2.3
70.95858	4.2
71.92717	0.9
72.08154	0.9
72.93774	2.4
77.00895	2.5
79.48547	0.8
81.07061	2.2
83.35126	0.9
86.06020	0.8
90.94841	1.1
93.07011	1.7
93.49253	0.9
95.01949	2.0
95.04999	1.4
95.06073	2.1
95.08607	1.4
96.05640	2.3
97.06507	1.5
100.02494	2.1
101.00842	5.0
103.02471	1.1
105.07048	2.2
106.00439	1.2
107.08595	4.9
109.06486	1.4
109.10130	1.3
111.98474	2.8
113.08253	11.0
114.04037	1.4
116.98610	3.3
118.03507	3.1
119.01923	57.6
120.02036	2.9
121.01680	2.6
121.03465	1.2
129.03972	1.2
129.99521	4.4
130.03510	5.1
131.01880	2.3
132.05075	32.6
132.95819	3.0
133.03444	1.8
133.10138	4.5
134.02985	5.4
134.99684	5.1
135.11658	2.4
136.04544	3.8
137.02962	44.6
137.08252	4.1
138.03053	1.8
138.06682	1.0
139.02702	1.5
142.03522	3.6
145.03481	4.5
147.03789	10.0
147.04900	2.0
148.04523	3.3
150.06125	40.7
150.96892	14.5
151.06316	1.3
155.01891	1.6
155.03030	3.2
155.06714	1.3
155.09293	5.8
155.97421	3.3
156.03227	1.4
156.05040	5.4
156.97499	1.2
158.03015	3.2
160.04553	3.9
161.09563	2.8
163.04489	2.2
165.04916	7.2
166.05612	1.1
168.97833	1.2
170.03127	1.0
172.04550	1.0
173.02888	4.3
173.04128	11.6
173.07851	1.8
173.98488	8.1
174.02626	4.3
174.06126	100.0
174.98587	2.2
175.06134	2.9
176.04028	7.1
177.01012	3.8
179.09322	2.1
179.10672	4.2
187.04419	1.5
188.04034	2.0
191.02481	1.4
191.05359	7.2
192.03639	1.7
192.07167	38.5
193.07355	1.7
196.91780	1.7
197.00580	3.2
197.04147	3.4
197.06004	1.5
197.07921	6.7
197.10277	2.8
197.11877	1.9
198.18552	3.7
215.01971	4.3
215.05396	5.4
215.07127	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03948	4.8
55.01872	5.3
55.02100	1.0
55.05509	20.3
55.19267	0.6
56.96559	6.9
57.03439	3.9
57.07072	1.9
65.03935	2.8
67.05501	60.9
69.03418	3.0
69.07063	19.2
69.07417	1.7
70.06585	0.8
70.98058	2.0
70.98388	0.8
71.01347	2.8
71.04980	5.9
71.08614	0.7
73.02900	1.0
79.05489	43.9
81.03411	17.9
81.03860	1.4
81.07050	100.0
82.07373	1.4
83.04978	14.0
83.08612	9.3
85.02894	2.0
85.06525	4.4
87.04455	0.8
89.03907	3.4
91.04893	1.5
91.05479	42.9
93.07039	65.6
95.04970	11.7
95.08603	37.1
95.09233	0.9
97.06520	11.2
97.10169	1.1
99.08124	0.9
103.05458	0.8
105.07023	15.3
107.04964	7.0
107.08591	29.1
107.09304	1.8
109.02942	0.7
109.06506	5.0
109.10149	4.5
111.04436	3.2
111.08107	4.7
115.05490	2.1
117.03342	4.1
117.07008	13.9
119.08580	3.8
121.06481	8.4
121.10130	10.8
123.04483	0.9
123.08078	1.6
123.11669	2.7
125.05925	1.2
127.07539	0.9
129.07019	1.0
131.08562	13.0
133.10126	23.8
135.04428	2.3
135.08041	5.1
135.11684	32.0
136.12099	1.1
137.09576	1.2
144.09395	0.8
145.02838	7.3
149.02444	1.0
149.05984	2.8
149.09645	2.8
149.13257	12.6
151.11183	2.8
152.06169	0.9
153.05495	1.5
159.11699	14.5
159.12889	1.6
163.03920	2.6
165.06978	4.1
167.08559	2.0
168.10150	1.0
177.05481	8.5
177.12726	11.4
179.08444	1.1
180.09377	3.5
195.02927	4.5
195.06497	1.3
195.08057	1.6
195.10081	1.3
195.11734	5.7
195.13805	14.8
195.15529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02383	0.6
51.43171	0.6
53.03948	3.3
55.01877	2.6
55.05510	10.9
56.96574	1.5
57.03440	2.5
57.07071	1.5
59.05025	0.7
61.47633	0.5
65.03944	1.7
66.14972	0.5
67.05504	22.8
69.03426	2.8
69.07067	7.1
70.19586	2.5
71.01366	0.8
71.04989	3.5
73.02905	0.6
73.06535	0.9
75.04481	1.3
79.05492	26.5
81.03416	10.8
81.07054	35.3
83.04984	8.6
83.08624	3.4
85.06532	2.2
89.06040	0.8
91.04894	1.1
91.05477	23.9
93.07042	62.7
94.07374	1.0
95.04966	8.9
95.08610	16.1
96.05752	0.6
97.06535	6.1
99.04475	0.6
99.08070	0.9
103.05499	1.3
105.04501	1.2
105.07027	23.1
106.07845	1.3
107.04953	3.6
107.08590	41.0
109.06513	11.1
109.10162	2.4
111.04478	1.2
111.08084	4.3
115.05449	1.2
117.03370	1.5
117.07007	4.6
119.05997	0.7
119.08579	10.5
120.09362	1.4
120.57797	0.5
121.03523	0.7
121.06514	6.3
121.10139	100.0
122.10485	2.6
123.08091	4.4
123.11760	0.7
125.09633	1.9
130.07858	1.0
131.08574	5.6
133.07555	1.1
133.10132	7.2
133.38802	0.6
135.04439	0.9
135.08057	4.9
135.11688	55.4
136.11969	1.1
137.05963	5.7
137.09622	0.8
139.07545	11.7
145.02843	2.0
145.10110	5.8
149.05956	1.1
149.09627	1.4
149.13258	5.5
149.97202	1.4
151.11171	1.0
152.06235	2.9
152.08302	3.3
152.11990	1.6
153.05417	0.9
153.06981	0.7
153.09119	1.1
159.11705	6.1
163.03844	1.0
163.11172	13.9
165.07002	5.4
166.07730	1.6
167.08542	4.5
167.14273	2.2
168.10204	1.4
176.20749	0.7
177.05466	2.9
177.12741	4.6
180.09348	2.2
195.02882	6.4
195.06583	1.2
195.08058	2.9
195.11765	4.7
195.13795	41.9
196.14136	1.0
196.17079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.53456	0.4
52.31346	0.4
53.03941	1.5
55.01863	0.5
55.05512	4.2
55.43322	0.5
56.96570	0.5
57.03421	0.6
57.07074	1.0
57.23862	0.5
65.03925	0.6
67.05507	7.7
69.03422	1.3
69.07072	3.1
70.01481	1.2
70.01896	1.6
71.04984	1.4
74.74111	0.5
75.04473	1.6
79.05495	13.1
81.03414	4.7
81.06586	0.8
81.07059	13.3
83.04974	3.7
83.08617	1.0
85.06521	0.7
91.05478	11.4
92.13773	0.5
93.07045	35.9
94.07374	0.5
95.04981	3.2
95.08608	6.0
97.06529	2.0
98.21478	0.9
103.05486	1.6
105.04510	0.5
105.07033	16.0
106.07815	0.8
107.04958	0.8
107.08599	25.9
109.06526	3.6
109.10161	1.1
111.08093	1.5
115.05430	0.6
117.07034	2.5
119.08578	5.8
121.06522	1.5
121.10143	100.0
122.10491	1.8
123.08066	4.1
125.09610	0.8
131.08539	1.8
132.20177	0.6
133.07599	1.2
133.10149	2.3
135.08057	1.5
135.11691	37.4
136.12022	0.5
137.05965	1.3
139.07527	4.2
145.10103	3.0
149.13246	2.2
152.06229	2.3
152.08287	0.9
159.11728	1.7
163.11180	8.7
165.07024	3.0
166.07683	0.8
167.08551	3.3
167.14342	0.6
177.12735	1.6
180.09297	1.9
195.02933	1.4
195.08116	1.9
195.10159	0.5
195.11771	2.5
195.13788	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	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03941	4.8
55.01869	4.3
55.05515	16.3
56.96561	6.6
57.03436	3.6
57.07068	2.5
62.62112	1.1
65.03946	3.5
67.05502	49.6
67.46270	1.2
69.03417	2.6
69.07064	12.0
71.01352	5.1
71.04996	6.8
71.58405	1.4
76.57317	1.5
79.05491	42.8
81.03420	11.1
81.07056	100.0
82.07368	1.5
83.04980	15.9
83.08614	9.6
85.02879	2.0
85.06529	3.4
89.03928	3.3
91.05476	23.0
93.03410	2.0
93.07044	64.6
93.07637	3.2
95.04962	10.6
95.08599	45.1
97.06539	15.7
97.10164	2.0
99.08091	3.9
103.05501	1.8
105.07024	14.1
106.07393	1.9
107.04962	8.3
107.08588	30.8
109.06508	5.3
109.10149	3.9
111.04439	4.0
111.08086	6.4
113.06000	1.6
115.36662	1.4
117.03393	4.4
117.07030	11.9
119.08553	3.0
121.02826	1.5
121.06524	7.0
121.10132	11.9
123.08092	2.2
125.06036	2.4
131.08557	13.4
133.10127	13.9
135.04405	3.4
135.08043	7.1
135.11697	35.5
137.05914	1.3
145.02846	11.0
149.05968	5.5
149.09618	4.2
149.13268	18.3
151.03973	1.5
151.11192	1.8
152.06198	2.6
153.05452	2.9
153.26016	1.5
159.11690	15.1
160.36423	1.4
163.03925	3.9
165.05658	2.1
165.06996	13.1
165.71402	1.7
167.08562	4.6
168.10216	2.6
177.05489	10.1
177.09132	1.6
177.12744	16.4
179.08514	1.6
180.09338	8.9
195.02930	8.5
195.06535	2.0
195.08107	3.9
195.10092	2.0
195.11702	11.6
195.13805	12.2
195.15562	3.0
213.08080	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03943	6.1
55.01878	5.1
55.05513	22.6
57.03431	6.5
57.07073	3.5
65.03934	4.0
67.05505	75.3
68.05824	0.9
69.03432	2.4
69.07072	23.6
71.01348	2.0
71.05004	6.9
71.19456	1.9
73.02899	1.1
73.18976	0.7
79.05495	53.2
80.05831	0.9
81.03419	30.9
81.07057	100.0
82.07380	2.0
83.04982	19.4
83.05463	1.3
83.08614	11.2
85.02889	1.3
85.06527	5.4
87.04456	1.0
89.03902	1.4
91.04896	1.7
91.05482	43.4
93.07043	75.5
95.04965	11.1
95.08607	39.6
95.09244	1.0
97.06535	16.4
97.10161	2.0
99.04469	0.9
99.08093	2.2
105.04485	1.2
105.07029	15.9
107.04964	4.7
107.08596	33.8
109.06535	4.6
109.10168	4.9
111.08080	8.0
113.06069	1.0
115.05475	2.0
117.03372	3.6
117.07013	14.7
119.08598	4.2
121.06488	10.7
121.10148	20.1
123.08070	2.0
123.11729	1.6
125.06014	1.1
129.07031	1.4
130.07654	0.9
131.08562	15.3
133.10146	17.0
135.04468	1.0
135.08043	6.0
135.11691	33.1
137.09631	1.3
139.06799	1.3
139.11172	1.6
144.09306	1.4
145.02817	4.5
145.10109	1.7
149.06012	2.2
149.09674	1.2
149.13255	16.9
151.11206	2.5
153.05501	1.0
153.09135	1.0
159.11691	16.5
165.07047	1.8
167.08615	1.3
167.09940	1.6
168.10217	1.6
177.05450	4.9
177.12752	13.0
180.09372	1.3
195.02922	2.9
195.06483	0.8
195.08281	1.5
195.10130	0.9
195.11931	1.9
195.13805	16.3
195.17540	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.40226	1.4
53.03939	5.0
55.01860	5.7
55.05272	1.6
55.05511	23.5
56.96567	2.8
57.03442	7.4
57.07053	4.6
57.33358	1.3
65.03951	3.8
67.05505	65.7
69.03425	7.7
69.06737	1.7
69.07072	22.5
71.01345	1.7
71.05012	7.7
71.59308	2.0
73.02886	2.5
77.80133	1.6
79.05495	50.8
81.03419	27.4
81.07053	100.0
83.04985	17.8
83.08604	12.0
85.06514	4.3
89.03927	1.6
89.05992	2.1
91.05478	39.4
93.07040	71.7
94.07334	1.8
94.26097	1.4
95.04957	13.1
95.08600	37.7
96.08910	1.8
97.06538	13.8
99.04474	1.5
99.08082	2.4
103.05431	2.3
105.07024	14.7
107.04961	4.1
107.08595	31.5
109.06493	3.6
109.10146	6.5
111.08082	8.3
112.57938	1.5
117.03354	2.2
117.07022	12.5
119.08584	3.4
121.06490	10.2
121.10153	14.0
125.06006	2.4
125.09566	1.7
131.08582	13.5
133.10138	19.5
135.08020	5.4
135.11681	32.5
145.02843	5.6
149.05928	2.4
149.09610	3.8
149.13243	14.1
151.11266	3.0
152.06140	1.6
153.05429	2.0
159.11687	15.8
165.06990	4.5
167.08588	1.7
168.10208	3.4
177.05382	3.6
177.12767	12.7
180.09315	2.6
184.03014	1.8
195.02914	8.1
195.06511	2.5
195.11639	4.4
195.13785	15.2
195.15593	3.2
198.44565	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40226	1.4
53.03939	5.0
55.01860	5.7
55.05272	1.6
55.05511	23.5
56.96567	2.8
57.03442	7.4
57.07053	4.6
57.33358	1.3
65.03951	3.8
67.05505	65.7
69.03425	7.7
69.06737	1.7
69.07072	22.5
71.01345	1.7
71.05012	7.7
71.59308	2.0
73.02886	2.5
77.80133	1.6
79.05495	50.8
81.03419	27.4
81.07053	100.0
83.04985	17.8
83.08604	12.0
85.06514	4.3
89.03927	1.6
89.05992	2.1
91.05478	39.4
93.07040	71.7
94.07334	1.8
94.26097	1.4
95.04957	13.1
95.08600	37.7
96.08910	1.8
97.06538	13.8
99.04474	1.5
99.08082	2.4
103.05431	2.3
105.07024	14.7
107.04961	4.1
107.08595	31.5
109.06493	3.6
109.10146	6.5
111.08082	8.3
112.57938	1.5
117.03354	2.2
117.07022	12.5
119.08584	3.4
121.06490	10.2
121.10153	14.0
125.06006	2.4
125.09566	1.7
131.08582	13.5
133.10138	19.5
135.08020	5.4
135.11681	32.5
145.02843	5.6
149.05928	2.4
149.09610	3.8
149.13243	14.1
151.11266	3.0
152.06140	1.6
153.05429	2.0
159.11687	15.8
165.06990	4.5
167.08588	1.7
168.10208	3.4
177.05382	3.6
177.12767	12.7
180.09315	2.6
184.03014	1.8
195.02914	8.1
195.06511	2.5
195.11639	4.4
195.13785	15.2
195.15593	3.2
198.44565	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03932	2.8
55.01871	4.2
55.05512	5.8
56.96559	3.7
57.03462	0.9
57.07067	4.3
65.03947	4.6
67.05501	10.5
67.34885	0.8
68.99778	1.8
69.03422	3.1
69.07064	5.3
70.06592	2.6
71.04994	3.0
71.57994	1.0
72.08128	2.7
78.04723	1.9
79.05490	20.2
81.03409	4.0
81.07047	14.6
83.04969	3.7
83.06085	1.3
83.08613	1.9
84.04489	1.9
84.08141	2.8
85.02934	1.4
85.06525	3.0
89.03916	28.5
89.06013	1.3
91.05477	13.4
93.03414	2.5
93.07037	23.9
95.04953	9.2
95.08600	11.5
96.04491	0.9
97.02876	1.9
97.06544	5.4
97.07639	1.2
98.97587	1.7
99.04482	1.0
100.07616	1.6
103.05466	2.7
103.87524	0.8
105.00093	1.8
105.03358	1.3
105.07002	5.9
106.00414	1.3
106.04175	1.9
107.04939	18.3
107.05617	1.3
107.08588	12.8
109.06514	2.9
109.10161	3.3
111.04442	7.3
111.05533	3.1
111.08051	2.8
111.09264	1.0
116.98627	0.9
117.03376	52.4
117.07014	3.5
118.03722	0.9
119.08566	2.5
121.02871	2.1
121.06475	7.1
121.10137	6.3
124.05205	1.1
124.08768	1.0
125.05976	5.7
127.03783	1.3
131.04881	2.0
131.08574	4.1
133.02855	2.1
133.06427	1.2
133.10130	2.7
134.03632	11.3
134.99667	1.7
135.04414	18.6
135.08044	5.2
135.11688	18.2
136.08661	1.4
137.05983	1.6
139.03946	1.5
139.05003	1.6
139.07538	2.1
139.11176	1.0
145.02838	92.4
146.03194	1.7
148.97371	2.8
149.05980	26.0
149.07130	2.0
149.09610	3.8
149.13269	3.6
151.03940	1.0
151.11095	1.7
153.01842	7.0
153.05493	10.4
153.12805	1.7
159.11702	3.7
162.03113	2.7
163.02557	1.4
163.03906	16.3
163.07547	1.4
165.06960	1.9
167.07063	3.6
167.08522	1.5
171.02875	2.9
171.98924	1.5
177.05463	100.0
177.09082	2.8
177.12726	6.1
178.05905	1.8
180.03975	1.2
180.09328	1.4
186.05528	4.6
186.99194	1.0
195.02905	11.9
195.06577	7.5
195.08376	2.8
195.10182	3.9
195.11719	1.8
195.13832	3.9
195.15744	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.63180	0.7
52.30657	0.7
55.05510	1.2
56.96576	0.9
57.07075	0.9
63.02378	0.8
65.03939	1.5
66.48310	0.7
67.05512	1.2
69.03430	0.8
69.07079	0.9
69.71361	5.3
71.04982	0.9
78.04716	2.0
79.05495	3.8
81.03407	1.1
81.07068	2.6
89.03918	33.8
91.05481	4.1
93.03428	1.9
93.07045	4.1
95.04975	3.6
95.08614	1.7
97.06541	1.1
103.05487	2.7
105.07054	1.7
106.04189	3.1
107.04975	9.5
107.08587	1.9
109.06515	0.9
109.10086	1.1
111.04448	1.8
117.03384	56.6
121.06522	2.3
121.10144	1.4
124.05154	1.0
125.05999	1.2
131.08527	0.8
134.03636	10.2
135.04413	11.5
135.08051	1.0
135.11734	1.9
145.02847	96.7
146.03214	1.1
149.05988	27.7
153.05417	1.6
162.03125	2.3
163.00941	0.8
163.03917	13.0
167.07076	1.1
167.08449	0.8
177.05478	100.0
178.05849	1.6
186.05537	3.2
195.02885	4.2
195.06580	1.8
195.08258	1.3
195.10081	1.9
195.15816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03941	0.8
55.01863	1.6
55.05508	0.8
56.96550	0.7
57.07050	0.4
62.68550	0.4
63.02377	1.0
65.03941	1.4
67.05506	2.0
69.03421	0.8
69.04534	0.4
69.07066	0.9
70.06572	0.3
70.26076	0.4
71.01356	0.4
71.04993	0.4
71.58270	0.8
71.82943	0.4
74.34486	0.4
74.94859	0.4
75.68565	0.3
78.04704	1.7
79.05499	5.8
81.03417	1.8
81.07062	2.5
83.04994	1.0
84.08149	0.8
85.02863	0.6
89.03916	32.6
89.06010	0.5
91.05476	5.8
93.03417	0.9
93.07040	2.8
95.04972	3.9
95.08604	1.9
97.06548	0.9
101.07922	0.4
103.05469	3.2
105.07030	3.4
106.04172	2.0
107.04955	16.3
107.08603	3.0
109.06532	2.0
109.10188	0.8
111.04451	2.2
111.08066	0.5
115.05470	1.2
116.98634	0.5
117.03374	56.0
119.04942	1.2
119.08606	0.6
120.05740	0.7
121.02824	0.5
121.06508	3.1
121.10131	1.5
123.04453	0.5
124.05197	1.9
125.05994	2.2
131.08580	0.9
133.02873	1.4
133.06454	0.6
133.10115	0.5
134.03638	9.4
135.03391	0.9
135.04413	13.5
135.08054	4.4
135.11671	2.0
137.05980	1.0
137.09651	0.7
139.03915	0.8
139.07555	0.6
145.02843	100.0
146.03175	1.4
147.04430	0.7
148.97371	0.5
149.05981	26.6
149.09641	1.0
151.03889	0.7
151.07573	0.7
152.04703	0.8
153.05501	2.1
154.06207	0.6
158.06052	0.7
159.11655	0.7
162.03142	2.6
162.16240	0.4
163.02547	0.9
163.03900	13.9
163.07549	3.2
165.05492	0.8
165.06960	1.0
167.03413	0.4
167.07057	4.2
167.08427	0.8
177.05464	99.5
178.05791	1.5
180.07845	0.9
180.09308	0.6
186.05501	3.5
195.02934	2.7
195.06644	2.2
195.08351	0.8
195.10144	4.1
195.11696	0.6
195.13757	1.3
209.36688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03941	1.7
55.01867	1.7
55.05510	2.7
57.03427	0.6
57.07076	1.4
63.02364	1.0
64.60876	0.5
65.03947	1.8
67.05503	6.0
68.99790	14.8
69.03429	1.5
69.07079	3.9
69.55508	2.4
69.55934	2.3
71.04996	1.4
78.04723	0.9
79.05048	1.0
79.05487	8.9
81.03413	2.0
81.07051	10.8
83.04977	2.5
83.08621	2.4
84.08176	0.8
85.02892	0.8
85.06552	1.0
85.10181	4.9
89.03917	32.7
89.92798	0.6
90.04234	0.6
91.05481	7.9
93.03367	0.8
93.07040	9.2
95.04977	4.3
95.08604	6.6
97.06517	2.8
97.10149	0.9
99.08035	0.7
103.05474	3.5
105.07034	3.7
106.04169	3.3
107.04951	15.6
107.08595	8.1
109.02924	0.7
109.06522	1.7
109.10145	1.3
109.37012	0.6
109.45245	0.6
111.04442	2.7
111.08103	1.2
111.55885	0.6
115.05432	0.7
117.03377	54.7
117.07029	1.1
119.04938	1.0
119.08617	0.8
121.02869	0.7
121.06493	2.2
121.10140	5.3
121.86004	0.6
123.08047	0.9
124.05211	1.6
125.05999	1.8
125.09629	8.9
131.08574	2.0
133.10146	1.5
134.03630	10.7
135.04411	15.9
135.08051	3.8
135.11668	4.1
137.05937	1.0
139.03896	1.3
139.07556	0.9
145.02844	100.0
146.03163	1.1
148.03726	0.7
148.97380	0.9
149.05984	26.3
149.09612	2.3
149.13248	1.6
152.04655	0.8
153.05559	1.5
153.09102	22.9
153.10350	1.2
154.06232	3.0
159.11691	0.9
162.03113	2.4
163.03903	14.7
163.07509	1.8
165.05701	0.7
165.07027	1.7
167.07011	1.6
167.08452	0.6
177.05469	99.7
177.12698	1.7
177.16360	2.3
178.05757	1.0
180.04259	0.8
180.09351	0.9
185.93762	0.6
186.05492	4.6
195.02917	5.9
195.06544	3.1
195.08263	1.2
195.10167	4.3
195.11736	1.6
195.13780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63180	0.7
52.30657	0.7
55.05510	1.2
56.96576	0.9
57.07075	0.9
63.02378	0.8
65.03939	1.5
66.48310	0.7
67.05512	1.2
69.03430	0.8
69.07079	0.9
69.71361	5.3
71.04982	0.9
78.04716	2.0
79.05495	3.8
81.03407	1.1
81.07068	2.6
89.03918	33.8
91.05481	4.1
93.03428	1.9
93.07045	4.1
95.04975	3.6
95.08614	1.7
97.06541	1.1
103.05487	2.7
105.07054	1.7
106.04189	3.1
107.04975	9.5
107.08587	1.9
109.06515	0.9
109.10086	1.1
111.04448	1.8
117.03384	56.6
121.06522	2.3
121.10144	1.4
124.05154	1.0
125.05999	1.2
131.08527	0.8
134.03636	10.2
135.04413	11.5
135.08051	1.0
135.11734	1.9
145.02847	96.7
146.03214	1.1
149.05988	27.7
153.05417	1.6
162.03125	2.3
163.00941	0.8
163.03917	13.0
167.07076	1.1
167.08449	0.8
177.05478	100.0
178.05849	1.6
186.05537	3.2
195.02885	4.2
195.06580	1.8
195.08258	1.3
195.10081	1.9
195.15816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03948	5.3
53.41174	0.9
55.01868	8.0
55.05264	1.6
55.05509	21.3
56.96551	2.3
57.03427	4.5
57.07061	3.3
58.06598	2.1
59.04990	2.2
62.02692	1.1
65.03922	2.7
67.05501	28.9
69.03427	4.0
69.07064	33.1
71.04975	4.1
71.57612	1.0
71.58153	1.0
72.04512	1.3
72.08145	1.9
77.03938	1.1
79.05487	31.7
81.03416	57.2
81.07056	35.6
83.04990	5.2
83.08614	17.1
84.08150	8.8
85.06533	3.1
85.08471	2.3
90.04683	1.3
91.05475	26.9
93.07038	20.5
95.04363	2.2
95.04965	35.4
95.08604	28.1
95.09126	0.6
97.02879	1.8
97.06522	25.5
97.10140	2.7
98.09681	3.4
98.97588	1.5
99.08067	1.2
99.10032	1.9
100.07617	11.4
101.07939	3.8
103.05459	15.1
104.06273	1.7
105.00115	2.3
105.03374	2.0
105.07027	100.0
106.07352	2.4
107.04941	4.6
107.08591	25.5
109.06512	48.6
109.10155	20.9
111.04449	1.9
111.08077	7.7
111.11716	3.3
112.11225	3.1
113.11563	1.3
115.05455	19.6
117.07014	3.0
118.04159	9.8
119.04975	1.6
119.08574	30.4
121.06499	3.1
121.10137	13.2
123.04472	2.0
123.08067	46.9
123.11674	5.6
125.09625	1.6
129.06992	5.9
131.04910	4.6
131.08548	4.8
132.05708	3.2
133.02841	8.1
133.06490	73.1
133.10118	35.6
134.06839	2.8
135.10693	1.8
135.11693	30.5
137.05933	3.7
137.09615	19.7
142.07822	1.6
143.04993	1.1
143.06050	3.7
145.10077	1.9
147.04382	1.5
147.08032	3.4
147.11670	8.4
149.02341	2.6
149.06012	2.3
149.09619	2.7
149.13243	2.9
149.40410	1.1
150.03090	3.0
151.03915	2.1
151.07568	1.5
151.11186	4.4
157.10162	3.0
160.05231	1.1
161.05978	51.4
162.06279	2.4
165.05426	2.9
165.09097	1.6
175.11218	3.7
175.14825	31.5
177.02032	1.1
178.02623	6.8
178.06233	2.3
193.04950	13.9
193.08609	27.4
193.12270	8.5
193.15880	46.2
194.11726	1.1
194.15410	1.2
197.20857	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03934	1.4
55.05513	9.7
56.96552	2.6
57.07062	2.3
57.65403	0.8
65.03931	1.9
67.05504	11.3
68.02901	0.9
69.03408	1.4
69.07070	26.1
71.04992	15.0
74.99124	0.9
78.62289	0.9
79.05486	10.6
79.26001	0.9
81.03405	2.4
81.07053	21.7
83.04959	2.0
83.08633	4.3
84.08194	1.0
85.06543	14.7
89.17028	0.8
91.05479	7.5
91.06824	0.9
93.07041	23.7
95.04968	34.8
95.08601	20.3
97.06538	2.6
97.10155	6.7
98.20710	1.7
99.08074	3.5
105.07029	12.7
107.08589	29.6
109.06513	100.0
109.10149	12.3
110.06836	1.3
111.08057	4.5
111.11758	1.0
112.61317	1.0
119.08582	24.4
120.08932	1.0
120.24188	0.9
121.10142	8.2
123.08063	5.8
123.11697	17.1
131.08539	1.0
133.02867	1.2
133.06483	1.4
133.10123	20.1
135.11681	27.6
137.09598	12.0
147.11668	3.6
149.02277	1.2
149.13275	7.3
151.11211	5.5
151.14835	1.0
175.14813	30.9
178.02634	1.1
193.04916	4.7
193.12189	1.0
193.15881	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.05879	1.7
53.03926	6.8
55.01861	6.9
55.05508	32.3
56.96559	1.7
57.03423	2.4
57.07059	7.6
57.38430	1.6
58.06584	2.6
59.04972	2.7
65.03919	2.9
67.05500	35.3
69.03427	16.2
69.07069	32.4
69.72768	13.2
71.04974	7.7
79.05486	26.1
79.51184	1.9
81.03412	15.3
81.07050	42.1
83.00596	1.6
83.01318	1.9
83.04980	32.5
83.08611	17.6
84.08148	10.6
84.27457	1.6
85.06544	5.7
85.08485	3.8
91.05476	29.6
93.07040	30.7
95.04975	16.7
95.08605	73.6
96.08942	3.3
97.02893	2.5
97.06538	5.3
97.10133	3.7
98.09673	3.3
98.20843	3.4
99.08083	3.7
100.07613	13.5
101.07955	4.3
103.05478	14.6
104.06223	2.8
105.00085	12.8
105.07025	100.0
106.07334	2.7
107.08591	57.4
107.09280	2.1
108.04527	1.8
109.05901	2.3
109.06531	25.5
109.10155	88.9
111.08086	11.9
112.11221	3.9
113.11510	1.8
115.05431	16.7
117.06993	4.4
118.04154	9.8
119.08580	78.4
121.06509	1.8
121.10136	39.8
123.07193	3.2
123.08063	52.0
123.11673	15.2
125.09597	4.3
129.06906	2.5
131.04929	5.1
131.08578	3.0
133.02841	6.4
133.06490	60.9
133.10127	60.9
134.06847	1.9
134.10454	2.8
135.08067	2.6
135.11687	82.3
135.34998	1.9
137.05972	6.0
137.09607	36.3
138.10376	3.6
143.06049	3.4
145.10153	2.0
147.08076	2.6
147.11670	11.9
149.02325	2.7
149.05975	2.5
149.13275	19.7
150.03120	2.6
151.11174	13.7
151.14847	10.0
161.05974	45.0
165.05481	2.1
165.12845	2.3
165.16454	3.6
175.11197	2.7
175.14807	54.8
177.02109	2.4
178.02652	4.6
182.96790	1.9
193.04936	18.6
193.08607	28.2
193.12265	6.3
193.15883	72.7
193.17670	3.7
194.11790	3.1
196.20586	2.0
210.28844	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02391	0.3
53.03942	3.6
55.01865	4.4
55.05506	8.7
57.03434	2.3
57.07063	0.7
58.06594	1.2
59.04995	0.3
59.06898	0.3
65.03930	3.2
67.05501	26.4
68.05849	0.4
68.99800	0.4
69.03425	3.4
69.07059	3.1
70.06579	0.4
71.01344	0.6
71.04975	1.8
71.57925	0.3
71.58328	0.5
72.04527	0.6
72.08121	0.4
73.02907	0.5
76.16750	0.3
76.72518	0.3
77.03910	0.5
79.05486	23.1
81.03412	100.0
81.07049	13.8
82.03743	0.7
83.04970	5.4
83.08609	10.4
84.08143	4.0
85.02928	0.4
85.06481	0.5
85.08467	0.9
89.03904	0.5
90.04684	0.5
90.39180	0.3
91.05473	22.9
93.07037	9.3
95.04961	40.3
95.08601	3.3
96.05296	0.4
97.02888	2.1
97.06522	1.5
97.10144	0.5
98.09691	1.2
100.07611	3.9
101.07951	1.2
103.05457	6.9
104.06251	1.2
105.00077	2.4
105.03389	0.8
105.07022	47.5
106.07356	0.9
107.04950	7.7
107.08591	3.9
109.02898	0.4
109.06498	4.5
109.10123	2.1
111.04429	1.8
111.08068	2.1
112.11233	0.8
113.06004	0.4
113.11604	0.5
115.05449	9.2
116.06251	0.5
117.06980	1.6
118.04156	3.8
119.04916	1.4
119.08575	10.6
120.76427	0.3
121.06491	2.6
121.10133	3.2
122.03618	0.5
123.04409	1.4
123.08052	1.4
123.11680	0.4
128.06219	0.8
129.06987	7.9
131.04924	1.6
131.08560	6.3
132.05659	0.9
132.09036	0.4
133.02856	2.2
133.06482	31.3
133.10109	5.7
134.06824	0.8
135.08040	0.8
135.11681	1.0
137.05965	1.8
137.09616	1.8
141.06993	0.6
142.07791	2.7
143.04953	0.6
143.06024	1.6
143.07079	0.3
145.06432	0.5
145.10060	1.0
146.97404	0.6
147.04413	0.6
147.08043	4.4
147.11691	4.9
149.02322	0.6
149.05984	1.0
149.09619	3.8
150.03098	0.6
150.06660	0.5
151.03879	0.6
151.07483	0.3
151.11142	0.4
157.10123	5.1
157.11340	0.6
160.05099	0.4
161.02357	0.5
161.05971	20.9
162.06367	0.6
165.05428	1.0
165.09120	0.9
165.12740	1.3
175.07468	0.5
175.11176	6.9
175.14743	0.9
177.05469	0.5
178.02631	1.9
178.06253	0.7
178.07710	0.3
183.87694	0.3
192.31160	0.3
193.04941	5.9
193.08592	9.8
193.10405	0.5
193.12216	9.3
193.15889	2.0
193.17471	0.3
196.20509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02391	1.3
53.00299	0.6
53.03936	4.5
55.01868	7.4
55.05508	18.8
57.03433	4.0
57.07069	2.9
58.06590	1.2
59.04988	0.9
59.06934	0.6
62.38506	0.5
65.03923	3.1
66.04707	1.4
67.05499	34.2
68.05810	0.6
69.03422	9.0
69.07058	9.6
71.01327	0.6
71.04996	3.0
71.08614	0.5
71.57975	0.7
72.04531	0.7
77.03902	1.1
79.05486	28.9
81.03411	100.0
81.07050	25.2
81.07444	0.4
82.03735	0.7
83.04972	16.4
83.08612	16.2
84.08126	4.6
85.06543	3.1
85.08446	1.2
89.03916	0.6
91.05470	28.2
93.07034	17.2
93.07638	1.0
94.04207	0.6
95.04961	41.8
95.08600	20.5
96.05296	0.6
97.02875	1.6
97.06532	2.7
97.10155	2.2
98.09653	1.3
99.08104	0.9
99.10020	1.0
100.07613	5.6
101.07942	1.4
102.04702	0.7
103.05455	12.8
104.06241	2.1
105.03383	1.4
105.07022	90.6
106.07371	1.9
107.04942	8.6
107.08581	17.4
107.09295	1.0
108.04536	0.5
109.02872	1.9
109.06512	11.1
109.10146	28.3
111.04451	1.8
111.08057	4.5
112.11224	1.1
113.11610	0.6
115.05446	17.6
116.06269	0.8
117.07001	2.6
118.04152	8.2
118.04927	0.8
119.04921	1.8
119.08570	27.4
121.06496	3.7
121.10130	12.6
122.03671	0.8
122.10498	0.5
123.04422	2.7
123.08058	17.9
123.11685	4.5
125.09646	0.7
127.03915	2.1
128.06174	0.6
129.07004	7.7
131.04939	3.0
131.08543	7.0
132.05721	2.7
133.02856	3.7
133.06480	62.8
133.10120	22.6
134.06839	1.3
135.08044	1.3
135.11676	18.0
135.12711	0.9
137.05984	2.8
137.09607	13.9
138.10371	1.5
141.06966	0.6
142.07788	2.8
143.05002	1.0
143.06062	3.2
145.10149	1.6
146.03653	0.7
147.04306	0.9
147.08054	3.8
147.11684	9.1
149.02377	1.0
149.05928	0.9
149.09598	4.5
149.13179	3.4
150.03159	1.1
151.03891	16.6
151.05766	1.0
151.11130	4.8
151.14807	2.2
157.10088	4.8
160.05199	1.3
161.05971	45.5
162.06345	2.1
165.05464	2.1
165.09148	1.2
165.12788	2.6
165.16437	1.2
166.05759	0.6
175.11177	6.7
175.14816	10.5
178.02568	3.2
178.06252	1.5
178.07742	0.9
184.17947	0.7
193.03215	1.0
193.04927	8.5
193.08609	23.8
193.10316	1.2
193.12218	11.8
193.15865	23.3
194.08868	0.8
197.20914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02373	0.5
53.03939	3.5
55.01869	4.9
55.05512	3.2
56.96544	0.6
57.03435	5.7
57.07061	1.6
59.05000	1.2
65.03942	1.2
66.04720	1.4
66.97363	0.4
67.05502	4.9
69.03426	4.2
69.07066	2.5
70.06596	0.7
71.04983	2.5
71.57256	0.7
76.15783	0.4
77.03912	0.7
79.05487	21.7
81.03416	3.8
81.07051	20.7
81.94402	0.4
82.35362	0.4
82.64514	0.4
83.04979	7.5
83.08608	0.8
84.08156	0.8
85.02900	1.4
85.06528	1.0
90.04687	0.8
91.05474	12.6
91.91824	0.5
92.02650	0.6
93.07040	4.4
94.04170	0.9
95.04963	7.1
95.06033	0.8
95.08594	2.9
97.06516	0.9
98.97616	0.6
99.04456	0.5
100.07607	0.5
103.05459	17.8
103.06138	1.0
104.06284	1.1
105.03383	1.3
105.07023	100.0
106.07366	2.2
107.04943	2.4
107.08590	7.7
109.06509	34.3
109.10134	3.8
110.07282	1.6
111.08060	1.5
115.05449	21.7
117.07007	1.5
117.16666	0.4
118.04160	12.0
119.04924	2.0
119.08572	25.1
121.06512	3.6
121.10136	1.0
122.03672	1.1
123.04398	1.1
123.08077	6.4
123.11712	2.4
131.04903	4.4
131.08612	0.8
132.05724	2.0
133.02858	8.9
133.06483	77.1
133.10121	5.6
134.06833	1.8
135.07097	0.4
135.08047	9.2
135.11725	0.7
137.05974	6.4
137.09610	8.3
137.10596	0.9
142.07765	1.9
143.04913	1.7
143.06036	5.6
145.02853	0.5
145.06476	3.8
145.10069	0.6
145.25467	0.4
146.07262	2.6
146.97459	0.5
147.04407	2.8
147.08057	3.5
147.11679	10.8
149.05960	2.2
149.09595	1.2
149.10699	0.7
150.03125	2.4
150.10391	0.6
151.03906	0.9
151.07541	1.3
151.11169	12.9
157.10080	2.3
159.07971	0.6
160.08833	10.3
161.05968	70.9
162.06369	1.7
163.03871	0.6
165.05409	2.3
165.09157	0.5
165.12767	2.5
175.03918	0.7
175.11171	28.6
178.02623	5.4
178.06198	1.1
193.04976	17.3
193.06874	1.5
193.08586	12.1
193.12233	31.6
193.15904	2.0
194.05467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.01611	0.6
50.46029	0.4
51.02387	0.5
53.03934	2.2
55.01873	4.9
55.05505	1.8
56.52262	0.5
57.03430	0.9
62.87895	0.5
64.44551	0.6
64.63582	0.6
65.03950	1.4
67.05502	5.6
69.03389	0.6
69.07062	0.9
69.59322	4.1
74.72182	0.6
79.05492	17.4
81.03413	13.0
81.07043	2.9
83.04987	0.6
83.08611	1.6
89.03937	0.6
90.04701	1.7
91.05479	18.7
93.07037	2.4
95.04959	8.4
95.08607	2.5
97.06557	0.7
99.08105	1.2
101.75380	0.5
103.05460	18.1
104.06252	2.5
105.03379	0.8
105.07027	100.0
105.85937	0.6
106.07365	1.5
107.04957	2.2
107.08578	2.0
109.06520	1.4
109.10155	3.0
115.05456	22.9
116.05717	0.7
117.06998	0.6
118.04156	13.5
119.04977	1.0
119.08592	3.4
120.50648	0.6
121.06493	0.6
121.10139	0.9
121.87799	0.6
122.03634	0.7
122.92676	0.6
123.08060	0.9
123.11703	0.5
125.06865	0.6
129.06999	1.2
131.04926	5.0
131.08542	1.2
132.05696	3.5
133.02853	1.4
133.06490	86.8
133.10086	4.0
134.06854	2.1
135.11710	1.4
137.05952	1.7
137.09598	3.0
143.05009	1.1
143.06039	5.8
147.04459	0.8
147.08063	0.7
147.11674	1.6
149.02301	1.3
149.05968	0.9
150.03188	0.8
150.06805	0.7
157.10103	0.7
160.05183	1.3
161.05981	69.5
162.06372	1.4
165.09181	0.7
175.11218	1.1
175.14830	2.2
175.56880	0.6
176.04825	0.6
178.02698	1.2
178.06250	2.1
193.04959	4.1
193.08603	22.6
193.12257	2.1
193.15891	2.4
194.08978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0655
Annotation	5-Hydroxyindoleacetate
Peak:m/z	Relative Intensity
53.03937	0.7
55.01868	0.5
55.05485	0.4
56.05020	0.6
56.96569	1.7
57.03424	0.6
58.06594	0.6
60.84242	0.3
62.06070	0.5
62.81747	0.3
65.03928	0.4
67.05505	0.6
68.05011	0.4
69.03416	0.7
69.07047	0.3
70.06563	0.7
71.01349	1.6
71.56707	0.5
71.57395	0.3
72.04491	0.6
72.08153	0.4
72.93788	1.1
77.03930	0.5
79.05483	1.0
81.03386	0.5
81.07030	0.4
83.88041	0.3
84.04498	0.7
84.08143	1.8
85.02895	0.3
86.00635	0.3
86.06056	0.6
87.04456	0.3
87.05611	0.3
88.96925	0.4
90.94802	0.6
91.05479	4.1
92.05002	0.5
93.05786	0.3
94.06570	19.8
95.04971	2.4
95.06860	0.4
95.08619	0.5
98.09701	0.8
98.97576	0.4
99.00199	0.5
99.00822	9.8
100.07617	1.3
103.05444	0.5
104.04992	18.4
105.04527	0.4
105.07020	1.1
106.06552	1.6
107.04957	0.5
107.06096	0.4
108.95885	0.4
110.06052	0.5
110.07157	0.6
112.11213	0.3
116.10697	2.5
116.98618	0.6
117.01855	0.5
117.05755	0.7
117.07065	0.4
118.06551	6.9
119.04944	0.7
120.04479	3.4
120.08092	1.2
122.06043	1.7
123.04440	0.4
125.02352	0.3
128.04973	1.9
128.07095	0.4
129.06979	0.5
131.04892	0.5
132.04454	15.6
132.95836	1.5
133.02837	0.9
133.04802	0.3
133.10272	0.3
133.46785	0.3
134.99629	0.7
136.07568	2.5
146.06007	100.0
146.09590	1.8
146.99678	0.9
147.04443	0.4
147.06378	1.7
148.07561	0.4
148.97809	0.3
149.96091	0.5
150.05507	15.6
150.96890	6.3
160.05040	1.9
161.05875	0.3
164.03470	0.4
164.07042	2.0
164.09206	0.3
165.05557	0.9
167.97261	0.4
168.98064	0.4
174.05510	18.3
175.05820	0.5
176.84329	0.3
191.97116	0.4
192.02940	0.9
192.06558	6.8
192.08447	0.7
192.09978	1.9
192.13838	0.5
192.14667	0.3
192.17476	2.6
193.04932	1.6
200.21716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.3
53.00306	0.4
53.03944	0.6
53.13929	0.3
54.10315	0.3
55.01869	0.4
56.05039	0.6
56.96564	1.6
57.03444	0.4
59.06113	0.3
65.03920	0.8
67.89505	0.3
69.03426	0.6
69.07054	0.4
70.06584	0.5
71.01341	1.1
71.57822	0.4
72.04520	0.5
72.08173	0.3
72.74972	0.3
72.93777	1.4
73.02895	0.5
77.03919	0.3
79.05491	0.8
80.05025	0.4
81.03426	0.3
81.07070	0.3
82.06604	0.3
84.04500	0.3
84.08121	1.0
85.02920	0.5
86.06075	0.5
90.94830	0.6
91.04962	0.5
91.05478	4.0
92.05023	0.3
92.05839	0.4
94.06568	19.5
95.04973	2.4
98.97559	0.5
99.00816	9.8
100.07615	0.6
103.05460	0.4
104.04990	19.1
105.03347	0.5
105.04552	0.4
105.05311	0.5
105.07004	1.0
106.06550	2.2
107.04945	0.4
108.95853	0.5
110.07132	0.9
116.10731	1.4
116.98597	0.4
117.01894	0.3
117.05769	0.5
118.06548	7.4
119.04940	0.7
120.04457	3.6
120.05718	0.3
120.08048	0.3
121.04803	0.8
122.06049	1.8
123.04417	0.4
128.04951	2.5
128.07024	0.3
128.52441	0.4
129.07014	0.4
132.04454	16.0
132.95827	1.1
133.02870	0.9
133.06461	0.5
134.99677	0.3
136.07579	2.6
146.06007	100.0
146.99709	0.5
147.06367	2.2
148.07573	0.4
149.96111	0.7
150.00748	0.4
150.03094	0.6
150.05507	14.7
150.96884	5.2
158.44041	0.3
160.05090	2.1
163.04424	0.3
164.07092	2.4
165.05414	1.4
174.05508	18.4
175.05930	0.7
178.02643	0.3
180.30495	0.3
191.97142	0.4
192.02895	0.7
192.06538	5.9
192.08295	0.5
192.10239	1.4
192.13693	0.7
192.17456	2.3
193.04999	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14141	3.1
53.03942	9.4
55.01859	13.5
55.05502	5.1
56.05021	14.1
56.96561	100.0
57.03189	5.7
57.03438	62.4
58.03766	9.5
58.06586	12.7
59.04988	17.7
60.04540	7.5
60.94320	3.3
61.02924	30.2
62.06106	4.6
68.05021	13.7
69.03428	55.2
70.03753	9.2
70.06580	7.9
70.61828	10.5
70.62185	3.3
70.98103	3.8
71.01346	10.2
71.04985	17.5
71.95222	3.2
72.04504	9.8
73.02916	66.0
74.03244	5.5
74.06064	6.5
74.97579	5.4
75.04485	4.0
77.00790	4.1
81.03403	26.7
82.06567	12.9
83.00777	8.6
83.04971	3.4
84.04504	26.2
84.08121	8.6
84.96044	7.7
85.02904	68.3
86.03241	15.4
86.03697	8.7
86.06059	27.9
87.04445	8.7
87.06438	4.6
88.03983	5.8
90.01521	6.5
90.51727	3.3
91.05486	4.3
92.01291	12.7
94.06546	14.9
95.04970	4.7
96.01535	5.9
96.02398	4.4
97.02885	33.7
98.01280	7.0
98.03220	9.4
98.09687	27.1
98.97585	89.7
99.04459	11.9
99.97916	8.1
100.01010	5.4
100.03971	6.0
100.07636	17.6
100.97133	4.2
101.00840	11.3
101.02379	4.5
102.02396	5.6
102.96897	3.9
103.03181	6.5
104.01292	12.1
104.04988	10.4
104.07100	8.2
105.02084	3.3
109.01640	3.9
109.02906	14.5
110.01278	18.7
110.06023	11.7
110.51445	8.7
110.97562	17.5
111.02119	6.7
111.02898	11.4
113.01798	15.3
114.02457	4.1
114.05530	16.8
115.05859	6.1
116.10720	18.3
116.98614	70.5
117.02061	9.8
117.02863	7.3
117.98962	7.9
118.05025	4.5
118.06528	4.2
118.98275	4.4
119.01852	50.2
119.51976	14.6
122.01263	7.0
122.02244	8.0
123.02043	4.9
123.02995	7.4
125.01788	9.3
127.03909	13.9
128.02292	16.6
128.07065	40.7
128.52527	4.6
128.98605	31.1
129.03062	3.4
129.98984	6.9
130.05037	4.7
131.00156	6.4
131.01880	14.5
131.02757	4.2
131.51918	5.3
132.04442	13.2
132.06543	12.6
133.03471	8.5
133.06857	12.5
134.99644	41.8
135.02991	4.6
135.99998	5.6
136.06227	4.3
137.02919	6.2
138.03409	6.2
138.05402	5.1
140.02289	4.3
143.00151	11.4
143.01910	9.9
145.01691	3.9
145.03412	7.2
145.28445	3.6
146.02338	5.5
146.06007	65.3
146.08078	34.0
146.99663	68.7
148.00008	12.5
149.01247	11.6
149.02931	7.4
150.05438	6.0
153.00662	10.3
155.01901	5.4
156.06580	12.5
156.13814	7.2
157.03470	4.2
158.01279	4.8
158.99634	13.7
160.00040	4.1
160.05046	10.4
161.01292	18.9
161.02911	21.0
162.99109	6.1
164.03320	5.2
164.06996	6.0
164.09195	6.9
165.00714	20.8
167.02292	4.7
170.99658	8.1
171.05032	9.5
171.99998	5.2
172.95189	6.4
173.01318	8.5
173.02956	20.3
174.04129	4.2
174.05522	12.0
174.07639	7.0
174.14919	22.3
177.00716	24.2
178.01007	7.2
179.02312	5.9
185.02925	8.5
186.96826	8.6
186.99142	11.3
187.00818	4.4
187.02621	5.5
189.00732	25.7
190.01073	6.0
190.96371	5.1
192.02887	4.5
192.06805	5.5
192.08649	21.2
192.10284	10.1
192.15979	17.1
192.17497	8.6
193.04913	6.6
195.01672	4.8
201.00679	9.5
202.01021	6.6
203.04077	5.7
204.97836	14.3
205.00081	5.1
205.03754	4.0
207.01752	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	192.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01862	16.8
55.05511	6.2
56.05029	19.6
56.96294	7.5
56.96564	100.0
57.03437	64.9
58.03767	9.1
58.06601	21.8
59.05000	22.2
59.70227	3.8
60.04522	6.5
60.05336	4.5
61.02930	39.8
62.06082	18.6
68.05034	24.7
69.03424	55.6
69.05351	11.3
69.07072	5.0
70.03758	5.1
70.06570	9.5
70.17862	4.3
71.01344	7.0
71.05003	21.6
71.57421	8.2
72.04519	19.8
72.08150	4.7
73.02911	75.8
74.02430	8.2
74.03249	11.9
74.06068	11.6
76.78458	4.3
80.05013	4.7
81.03420	35.9
81.07040	5.3
82.03778	4.2
82.06576	15.1
83.00758	6.7
83.04961	12.4
84.04497	36.4
84.08157	9.8
84.96004	11.3
85.02906	78.4
86.03217	12.1
86.03690	11.2
86.06065	58.3
87.04455	16.1
87.06413	13.6
88.02668	5.4
88.03997	8.2
88.99145	5.0
89.00784	6.7
90.01563	5.3
90.07700	3.7
91.05466	8.7
92.01308	9.7
94.06554	16.7
95.03456	5.9
95.04968	6.9
96.04501	8.6
96.78313	4.1
97.02898	42.0
98.01285	9.9
98.03214	13.1
98.09695	32.6
98.97581	61.5
99.00801	5.5
99.04434	8.0
99.97957	5.2
100.03963	13.6
100.05223	6.0
100.07605	13.2
101.00829	9.1
102.02402	11.7
102.05547	7.4
103.03889	3.8
104.01283	8.5
104.04977	11.1
104.07082	20.5
107.01810	7.0
109.02885	18.3
110.01260	16.0
110.03223	9.1
110.06020	14.5
110.07141	4.7
110.09672	4.7
110.51421	5.9
110.97562	13.7
111.02061	6.6
111.02874	5.7
111.08080	5.2
112.07591	4.6
113.01779	9.6
113.02502	4.5
114.05521	32.9
115.02388	7.2
115.05861	14.4
116.01250	7.7
116.10699	17.0
116.98624	64.6
117.02859	4.9
117.52285	4.6
117.98952	11.8
118.01028	4.6
118.05012	9.9
118.06549	3.9
119.01862	53.9
119.04916	4.9
119.51982	15.9
120.01995	8.0
121.01611	5.1
121.03310	9.1
121.67764	3.9
123.02976	7.3
125.01727	8.0
126.03413	7.0
127.03912	18.7
128.02310	23.2
128.07069	77.1
128.10699	5.6
128.52480	12.8
128.98622	35.4
129.98938	12.5
130.05020	6.9
130.52603	5.5
131.00157	4.5
131.01884	24.3
131.02689	4.8
132.04402	8.8
132.06561	32.6
133.03441	11.4
133.06946	23.1
134.02292	4.6
134.99651	54.2
136.00023	5.3
136.06134	5.2
136.99261	6.1
137.02896	7.1
138.05521	6.0
140.52480	6.0
143.00174	10.7
143.01886	19.0
145.03442	16.4
146.06012	77.4
146.08095	53.6
146.11742	7.3
146.99669	57.9
147.99985	15.2
148.07562	5.1
149.01105	6.1
149.02872	7.5
150.05501	10.0
153.00655	9.8
153.03955	8.8
155.01869	10.1
156.06532	23.3
156.13821	9.0
157.03423	8.5
158.01273	7.2
158.99638	13.2
159.03171	6.0
160.00105	5.6
160.05013	19.6
161.01236	17.7
161.02950	38.0
162.03125	10.1
162.99103	6.1
164.09224	30.6
165.00702	19.9
167.02202	5.3
170.99631	11.3
171.05025	7.6
173.02951	33.1
174.04179	5.0
174.05548	15.3
174.07608	15.5
174.08972	5.0
174.14897	18.3
175.02643	5.5
177.00705	21.5
178.01045	7.9
185.02965	12.7
186.96823	5.6
186.99083	8.8
187.02802	11.6
189.00729	19.3
190.01044	16.2
192.06599	12.5
192.08652	36.2
192.10233	19.5
192.12300	8.2
192.13867	7.1
192.15953	16.5
192.17503	21.6
193.04968	11.1
201.00679	4.8
203.03969	6.7
204.97920	7.0
205.03885	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	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
53.03944	2.0
55.01882	6.9
55.05508	11.3
55.66560	1.2
56.05031	2.9
57.03430	2.2
57.07059	4.4
58.06599	13.4
58.32040	1.0
59.04970	1.2
63.05808	1.4
65.03931	2.2
66.04685	0.9
67.05505	14.8
69.03428	8.3
69.06722	1.3
69.07069	19.7
69.33828	10.8
70.06590	5.4
71.04969	2.5
72.04508	7.4
72.08160	6.2
76.08088	0.9
79.05067	1.3
79.05496	21.5
81.03407	1.5
81.07051	17.4
82.06595	1.5
83.04993	4.7
83.08615	4.8
84.08144	59.4
85.06535	2.7
85.08486	2.8
87.77603	1.0
91.05482	25.9
93.07047	31.6
95.04973	25.5
95.08611	14.3
96.08134	1.7
97.06535	6.5
98.09695	15.7
100.07619	66.7
101.07936	1.5
102.04694	1.4
103.05466	14.8
105.03403	2.2
105.04535	0.9
105.07034	37.1
107.04939	8.2
107.08592	49.7
109.06503	7.0
109.10165	7.5
110.09663	2.1
111.08079	1.3
112.11234	18.9
113.11623	1.2
115.05448	4.7
116.06223	1.0
117.07016	12.4
118.04156	6.2
119.04947	2.2
119.08578	17.7
119.59970	1.3
120.08145	1.2
121.06508	16.2
121.10149	17.9
123.08058	7.0
126.09150	1.8
126.60715	3.1
128.06236	1.1
129.07010	5.8
129.13850	5.8
130.04128	2.4
130.07751	1.3
131.04915	10.1
131.08569	35.2
132.05679	1.6
133.02800	2.1
133.06488	3.7
133.10133	55.3
135.04424	1.4
135.08054	27.5
135.11653	5.7
137.09520	1.7
143.08583	4.8
144.09308	3.2
145.06499	2.4
145.10124	21.1
146.03653	1.1
147.04312	1.1
147.08064	5.6
147.11693	37.2
148.05203	7.7
148.08740	1.9
149.09604	10.4
149.13258	19.0
154.15887	1.3
158.10870	8.3
161.09647	5.4
161.13257	3.3
163.03860	1.3
163.07545	12.0
163.11186	2.7
163.14798	3.8
168.17505	6.3
171.14957	1.9
173.06007	2.3
173.09647	1.7
173.13271	33.5
176.04669	3.8
176.11925	5.0
182.66991	4.4
183.67715	1.3
191.07005	8.6
191.08585	1.7
191.10669	3.7
191.14308	100.0
192.14627	3.4
194.19043	3.6
196.20634	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49806	0.9
53.03927	2.7
55.01855	4.1
55.05513	10.7
56.05011	2.1
56.96548	0.9
57.03435	4.4
57.07057	3.6
57.23140	0.9
58.06344	1.0
58.06599	11.9
59.02662	0.9
59.04985	0.9
59.46868	0.9
65.03930	3.5
67.05501	19.7
68.05830	0.9
69.03424	7.1
69.07063	16.5
69.97998	3.1
69.98415	1.9
70.06582	3.2
71.04985	6.3
72.04505	5.7
72.08133	3.8
74.71830	0.9
79.00911	1.1
79.05490	27.8
81.03387	1.9
81.07056	19.2
82.06583	1.6
83.04986	6.6
83.08601	4.1
84.04517	1.6
84.08141	45.7
85.06537	2.8
85.08459	2.1
91.05476	44.5
93.07037	24.3
95.04972	13.5
95.08604	15.0
96.08109	1.0
97.06519	6.9
98.09091	1.3
98.09686	14.1
98.20812	1.3
100.07611	50.6
101.07932	2.5
103.05473	12.3
105.03383	1.2
105.07024	53.7
106.06609	1.2
106.59187	1.0
107.04961	12.4
107.07864	2.0
107.08588	35.1
108.05715	1.4
109.06509	13.8
109.09465	1.3
109.10155	16.1
111.08092	1.0
112.11243	14.3
113.11565	1.4
115.05433	5.1
116.06260	5.4
117.07014	23.0
118.04154	3.0
119.04927	2.7
119.08576	26.1
119.59922	2.5
121.06498	14.1
121.10131	19.0
123.08060	7.0
123.11705	2.2
125.08362	0.9
126.60729	2.5
128.06216	1.8
129.06987	11.0
129.13867	2.9
130.04129	1.5
130.07790	6.8
131.04935	7.8
131.08560	100.0
132.05705	1.5
132.08862	2.4
133.02856	2.2
133.06448	2.9
133.10126	60.6
135.04381	4.1
135.08054	26.9
135.09109	1.0
135.11644	6.2
136.08813	1.2
143.08542	9.8
144.09306	3.4
145.06479	9.6
145.10117	51.4
146.05928	1.0
147.04369	1.4
147.08041	12.8
147.11671	13.1
148.05165	5.2
148.08734	1.8
149.05942	1.6
149.08401	1.5
149.09616	24.1
149.13228	9.1
150.10278	2.2
155.08562	3.7
158.07222	1.1
158.10899	12.9
160.05122	1.4
161.09598	3.4
162.10313	0.9
163.07541	24.4
163.11159	8.0
163.14786	4.5
168.17493	5.3
171.14815	1.2
173.09612	20.7
173.13254	32.3
176.04716	2.4
182.67021	2.7
191.03377	1.1
191.07016	7.8
191.08890	2.1
191.10674	43.0
191.14297	56.5
192.10971	1.5
192.83690	0.9
194.19101	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03928	1.8
55.01863	2.9
55.05513	7.0
57.03430	1.4
57.07067	2.7
58.06603	5.5
59.04976	1.6
60.80753	1.1
65.03935	2.2
67.05505	34.6
69.03408	3.6
69.07076	12.0
69.48860	4.5
69.49297	5.7
70.06562	1.4
71.04646	1.7
71.04995	22.2
72.04510	2.5
79.05494	19.7
81.06642	1.6
81.07061	18.2
83.04987	2.8
83.08612	4.9
84.08145	21.7
85.06549	7.7
85.08454	1.9
90.04686	1.4
91.05483	31.1
91.91602	1.1
93.07043	21.7
95.04976	19.5
95.08607	22.6
96.46886	1.1
97.06525	9.8
98.09682	7.0
99.08070	1.7
100.06969	2.1
100.07616	23.8
102.04717	2.6
103.05469	27.7
105.03403	2.6
105.07031	43.7
107.04932	5.0
107.08598	56.8
109.06521	26.7
109.10155	100.0
110.10455	1.3
111.08084	3.5
112.11220	6.7
113.11535	1.3
115.05428	5.2
116.06227	3.1
117.07001	14.1
117.57698	1.1
118.04168	10.1
119.04944	2.7
119.06023	1.4
119.08596	18.4
120.05726	1.7
121.06490	10.6
121.10150	40.7
121.11012	2.5
123.08067	16.1
123.11689	1.1
126.60723	1.5
128.06168	1.6
129.06990	4.9
129.13896	2.4
130.04120	4.8
130.07776	1.7
131.04932	16.9
131.08566	59.2
132.05690	2.2
133.02866	3.9
133.06474	5.0
133.10136	25.8
135.08055	92.5
135.11694	4.9
136.08569	1.8
143.08537	7.2
144.09375	2.9
145.06429	2.2
145.10124	16.4
146.03589	1.5
147.04318	1.4
147.08058	4.8
147.11673	16.3
148.05186	12.7
148.08846	5.5
149.09637	18.3
149.13264	13.4
150.10443	6.1
158.10922	10.9
161.09639	5.9
163.07529	16.1
163.11214	2.2
163.14803	2.1
168.17564	2.1
173.05923	2.2
173.13266	50.7
174.13574	2.1
176.04771	5.6
176.12022	2.8
182.66949	1.2
191.07030	12.0
191.10660	3.6
191.14307	93.1
191.17979	3.6
192.14590	2.3
194.19043	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03947	2.8
55.01860	4.1
55.05509	13.1
57.03415	1.4
57.07057	1.9
58.06595	7.1
65.03918	1.8
67.05505	12.3
69.03426	14.5
69.07070	18.0
69.37292	13.3
70.06579	2.2
71.04980	4.7
72.04517	3.3
72.08154	3.1
79.05490	15.9
81.07058	23.4
82.51263	1.4
83.04977	10.7
83.08609	4.5
84.08136	35.8
85.06532	3.7
85.08459	1.5
90.04691	2.8
91.05477	27.3
92.06268	1.6
93.06471	2.0
93.07036	25.7
95.04974	13.3
95.08050	2.3
95.08599	22.8
97.06543	11.7
98.09679	12.9
98.20706	2.1
100.06981	2.4
100.07611	38.9
101.07890	1.4
102.04696	2.7
103.05463	56.7
104.05766	1.6
105.03407	6.8
105.07025	38.5
107.04955	12.2
107.08595	52.9
109.06517	13.2
109.10138	7.5
111.08068	3.7
112.11237	9.9
115.05449	4.8
115.68264	1.3
116.06203	2.9
117.07018	7.0
118.04152	15.5
119.04929	6.3
119.08582	17.9
120.05738	3.8
121.06510	25.0
121.10136	38.8
123.08055	14.4
123.11754	1.6
126.60738	1.7
128.06311	1.7
129.06973	4.5
129.13889	3.1
130.04150	7.9
130.07808	1.4
131.04932	32.0
131.08562	36.3
132.05659	2.3
133.02844	13.2
133.06444	5.8
133.07396	1.3
133.10121	57.4
135.08046	26.2
135.11710	8.0
135.12579	1.4
143.08566	7.8
144.09329	3.1
145.06476	3.4
145.10126	21.9
146.03613	4.5
147.04343	2.8
147.08035	1.7
147.11693	13.4
148.05183	31.0
148.08804	1.8
149.09622	26.7
149.13249	16.0
158.10921	10.0
161.09599	4.6
163.07536	36.7
163.11171	5.3
163.14862	9.1
168.17448	3.7
173.06012	3.2
173.13254	41.0
176.04688	6.8
176.11935	2.3
182.66989	3.6
191.07013	22.4
191.10658	4.5
191.14301	100.0
192.14651	2.3
194.19022	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01855	1.8
55.05509	8.5
55.93496	0.8
56.05022	1.4
57.03431	1.3
57.07062	2.4
58.06595	7.4
60.38379	0.8
65.03925	1.0
67.05502	7.9
69.03427	14.0
69.07068	16.0
70.00330	3.5
70.06588	2.1
71.04971	3.1
72.04492	4.5
72.08141	2.2
77.03898	0.7
79.05494	9.9
81.07050	10.4
82.06551	1.3
83.04990	8.8
83.08607	3.0
84.08144	34.7
85.06557	1.9
85.08452	1.6
91.05484	14.2
93.07043	11.7
94.35069	0.8
95.04971	4.4
95.08597	9.3
97.06521	3.5
98.09682	9.7
100.07616	35.4
100.08275	1.9
101.07918	1.4
103.05451	3.7
105.07029	21.9
105.58447	0.8
106.59184	1.1
107.04944	2.6
107.08590	30.5
109.06513	4.9
109.10168	4.1
110.79861	0.7
111.08050	2.9
112.10651	0.8
112.11260	8.1
115.05444	2.2
116.06216	0.9
117.07012	5.6
118.04188	1.0
119.08582	15.9
120.05719	0.8
121.06484	5.1
121.09306	1.5
121.10143	17.0
123.08045	5.6
126.09131	0.8
126.60695	2.0
129.07007	4.4
129.13847	3.2
130.07768	2.1
131.04915	2.1
131.08566	26.0
133.09109	1.9
133.10129	40.4
133.61507	0.8
135.04422	1.6
135.08057	16.6
135.11690	4.3
143.08554	6.9
144.09296	2.3
145.10115	11.6
147.08069	1.2
147.11707	7.4
148.05165	1.7
149.09624	19.8
149.13220	9.4
158.10942	10.2
161.09608	3.6
163.07533	2.2
163.11176	1.2
163.14806	2.9
166.19508	0.7
168.17479	5.2
173.09673	1.0
173.13272	27.3
176.04604	1.0
176.11972	1.9
182.67012	1.9
183.17101	1.3
191.03293	1.2
191.07018	2.4
191.10657	2.8
191.14305	100.0
192.14697	1.5
194.19048	3.2
196.20622	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01873	1.2
55.05509	4.7
57.03422	1.1
57.07070	1.2
58.06602	0.6
59.04975	0.8
61.06219	0.6
61.28635	0.6
65.03935	0.7
67.05505	2.7
69.03094	0.7
69.03432	10.7
69.06759	0.6
69.07066	5.2
69.98087	0.7
70.97441	1.5
71.04997	1.7
79.05499	6.6
81.07062	3.6
83.04987	6.4
83.08609	2.0
84.08141	1.5
85.06527	1.8
91.04507	0.6
91.05476	11.2
93.07030	6.0
95.04952	1.7
95.08591	3.9
97.06522	3.9
98.97591	0.7
100.07609	1.3
103.05444	1.3
105.07037	18.3
107.04948	1.5
107.08597	22.4
109.06508	3.0
109.10163	1.8
111.08073	1.2
115.05413	1.1
116.06225	1.2
117.07016	2.9
119.08572	8.0
121.06509	3.6
121.10124	10.4
123.08047	3.8
123.11671	2.0
129.07005	1.7
130.07780	1.3
131.04880	1.3
131.08562	23.6
133.06439	0.6
133.10135	41.9
134.10561	0.5
135.08052	9.0
135.11684	2.2
140.10986	0.6
143.08549	4.7
144.09340	1.5
145.06528	2.7
145.10117	8.8
147.08072	0.8
147.11693	5.1
148.08679	0.7
149.09612	4.8
149.13249	7.1
158.10896	7.6
161.09622	5.8
163.07504	0.7
163.11194	1.0
163.14841	1.6
173.13269	21.8
176.11971	1.8
191.08206	1.6
191.10663	2.6
191.14305	100.0
192.14629	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.03342	1.4
53.03939	3.1
55.01864	5.1
55.05515	12.3
57.03436	3.7
57.07071	4.2
58.06594	8.6
65.03915	2.0
67.05502	20.9
69.03087	1.7
69.03429	24.0
69.07066	21.3
70.06586	3.7
71.04986	5.0
71.87746	1.7
72.04499	5.6
72.08140	4.4
79.05491	28.3
81.03389	2.3
81.07050	25.7
83.04977	6.4
83.08604	5.3
84.08144	41.0
85.06534	2.6
90.02924	1.3
90.89563	1.3
91.05478	26.5
93.07041	21.9
95.04960	11.6
95.08596	22.3
97.06522	5.7
98.09697	15.2
98.21487	6.7
100.06978	3.3
100.07616	50.2
102.04669	2.3
103.05464	23.1
105.03382	1.5
105.07024	34.0
106.59229	1.7
107.04958	14.1
107.08591	60.5
109.06515	12.8
109.10155	40.1
110.09675	2.5
110.10437	1.6
112.11261	12.5
115.05452	5.9
117.07026	10.4
118.04160	7.8
119.08588	13.8
120.05726	1.9
121.06519	12.1
121.09318	2.8
121.10143	35.4
122.07283	3.1
122.96923	1.5
123.08063	11.9
126.60717	2.3
129.06992	2.9
129.13869	4.5
130.04128	3.4
131.04929	17.1
131.08560	38.5
132.05696	2.7
133.02869	5.1
133.06532	3.1
133.10129	100.0
135.07104	3.0
135.08047	37.0
135.11664	9.8
137.09636	10.2
143.08560	7.9
145.06459	3.5
145.10114	20.3
147.07977	2.9
147.11684	13.9
148.05190	11.3
148.08702	1.9
149.09622	16.8
149.13245	23.3
150.05495	1.6
150.10353	1.8
154.14732	1.6
158.10918	14.6
161.09581	4.8
163.07542	14.2
163.11183	2.8
163.14809	6.1
167.05557	7.0
168.17532	5.1
173.13257	44.9
176.04639	6.4
176.11932	2.3
182.67030	4.7
191.03461	2.0
191.07031	11.7
191.10667	4.2
191.14314	76.1
191.17987	3.2
194.19037	3.5
196.20728	1.9
201.40309	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.4
53.43435	0.9
54.85437	0.9
55.05507	6.2
57.07063	1.8
58.06584	4.1
63.96254	1.0
67.05503	4.7
69.03429	11.5
69.07073	9.2
69.33802	9.9
69.66537	0.9
70.06580	2.1
70.12736	0.9
71.04992	2.5
72.04485	2.4
72.08154	1.7
72.99779	0.9
79.05489	7.2
81.07050	6.8
83.04981	9.4
83.08608	2.1
84.08138	19.1
85.08465	1.4
91.05474	15.8
93.07053	9.7
95.04964	2.3
95.08606	5.2
97.06538	6.1
98.09695	5.8
98.20787	2.0
100.07613	21.5
101.07941	1.3
103.05470	2.5
105.07022	23.2
107.04956	1.6
107.08590	30.3
109.06500	2.3
109.10136	2.9
111.08097	1.4
112.11234	4.6
117.07021	4.5
119.08569	9.0
119.59916	1.1
121.06516	3.7
121.10133	16.8
123.08060	3.8
123.11685	1.2
129.07013	2.6
129.13878	2.1
130.07755	1.6
131.04912	1.9
131.08562	24.8
133.06441	0.9
133.10124	58.1
135.08055	14.2
135.11659	2.4
143.08548	6.1
144.09314	2.2
145.10121	10.5
147.11690	7.2
148.05098	1.6
149.09637	7.7
149.13237	10.0
158.10933	9.6
161.09607	4.4
163.07520	1.6
163.11131	1.3
168.17461	1.9
173.13254	27.8
176.11949	2.2
182.66925	2.0
191.06998	1.2
191.14299	100.0
192.14622	2.5
194.19070	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05020	0.9
53.03924	0.8
55.01865	1.4
55.05505	7.6
56.05026	1.4
57.03432	1.6
57.07061	2.1
58.06354	0.8
58.06604	11.4
59.64637	0.8
60.76456	0.7
65.03909	1.2
67.05175	0.9
67.05506	9.8
69.03429	15.3
69.07069	15.1
69.50265	7.2
70.06581	3.8
71.04988	1.8
72.04511	6.4
72.08146	3.5
72.15340	0.8
79.05492	10.6
81.07061	9.5
82.06570	1.3
83.04980	8.1
83.08598	2.3
84.04527	1.0
84.08140	48.2
85.06538	1.8
85.08457	2.8
91.05479	15.5
93.07050	11.8
93.21639	0.8
95.04972	4.0
95.08607	11.1
97.06551	4.4
98.09094	1.2
98.09693	13.6
99.08158	0.9
100.07615	55.7
101.07923	2.7
102.04655	1.1
103.05477	6.3
105.07027	22.4
106.59182	0.9
107.04929	2.6
107.08591	30.1
108.08923	1.0
109.06516	4.9
109.10133	3.3
111.08078	2.5
112.11240	14.3
113.11608	1.0
115.05437	2.1
116.06203	1.1
117.07011	5.4
118.04176	1.4
119.06025	1.1
119.07774	0.5
119.08567	13.8
119.59974	0.9
121.06532	4.6
121.10137	19.5
123.08080	4.9
123.11730	1.2
126.09200	1.6
126.60717	2.7
127.10927	0.8
129.06999	3.4
129.13870	4.3
130.07716	1.0
131.04939	4.3
131.08565	28.1
133.10126	43.2
133.61491	0.9
135.04445	1.0
135.08055	12.8
135.11676	3.0
143.08568	5.8
144.09317	1.8
145.06473	1.2
145.10127	12.3
147.08009	1.6
147.11685	7.0
148.05188	1.7
148.08823	1.1
149.09625	12.0
149.13237	7.3
154.15912	2.2
158.10905	9.6
161.09615	4.6
163.07567	2.9
163.11162	1.4
163.14784	2.3
168.17487	6.2
171.14859	1.0
173.13263	25.3
174.13451	0.7
176.11896	1.5
182.66963	4.2
191.03378	1.1
191.07002	2.5
191.10664	3.6
191.14301	100.0
192.14571	1.8
194.19041	5.6
195.19254	0.8
196.20657	1.9
197.16470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
51.02374	1.6
53.03934	2.5
55.01872	1.0
55.05492	2.9
55.92394	0.8
58.06604	4.2
66.04711	2.6
67.05479	2.1
68.99764	1.6
69.07049	3.8
70.06557	0.9
71.17593	2.5
72.04510	2.0
72.08150	2.2
75.54293	0.9
79.05499	7.0
81.07044	2.7
83.04964	1.6
84.08142	14.6
85.08486	1.1
87.79219	0.8
89.03910	1.4
90.04694	4.0
91.04955	1.5
91.05476	14.5
92.06258	2.1
93.07035	3.4
95.04965	8.4
95.08597	3.1
97.06508	1.0
98.09696	5.2
100.07619	16.4
102.04678	7.5
103.05463	100.0
104.05759	1.1
105.03387	12.6
105.04490	1.8
105.07026	14.8
107.04289	1.1
107.04945	8.1
107.08572	5.0
109.06493	1.0
109.10146	1.3
111.66206	0.8
112.11217	4.0
115.05447	6.3
117.07024	6.0
118.04152	30.9
119.04220	1.0
119.04957	10.0
119.08562	2.6
120.05740	5.0
121.06451	1.2
121.10126	3.2
123.04460	1.7
125.59842	0.9
129.06984	1.8
129.13852	1.6
130.04143	11.0
131.04926	53.8
131.08562	6.3
132.05746	5.1
133.01826	1.4
133.02843	22.3
133.06497	8.3
133.10088	4.0
135.08070	7.4
135.11632	1.0
143.08553	1.5
145.06519	4.0
145.10115	4.7
146.03615	7.0
147.04358	2.7
147.11728	1.9
148.05185	56.1
149.05672	1.0
149.09554	1.8
158.10876	1.0
161.05954	1.7
162.06750	1.0
163.07539	75.4
164.07924	1.1
168.17465	2.0
173.05968	5.5
173.13251	3.7
176.04646	10.0
182.66963	1.5
191.07013	34.9
191.10576	1.3
191.14330	7.7
202.48875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05494	1.7
56.05028	2.9
56.96555	5.0
57.03421	4.2
58.06581	4.3
58.47092	1.0
59.04995	7.7
60.04514	2.3
60.08162	5.3
61.02910	1.6
61.08490	1.5
67.05498	1.6
68.05029	7.4
68.05795	1.0
69.03426	5.3
70.06586	6.9
71.04971	1.8
71.13927	2.3
71.66500	1.0
72.08128	2.3
73.02906	2.8
73.08456	1.0
74.06065	1.4
80.05000	2.8
80.15293	0.9
81.03408	1.6
81.07061	1.4
82.06579	4.5
83.05000	1.5
84.04497	2.2
84.08141	19.6
85.02892	3.7
85.06521	1.1
85.08471	20.0
86.06065	50.6
87.04469	36.6
87.04941	0.6
94.06594	1.1
95.04982	1.3
96.08121	2.2
97.02887	2.6
97.06503	1.1
98.06053	11.1
98.09653	1.0
98.97581	4.9
100.07600	2.5
104.07082	3.5
108.08121	9.9
109.08900	2.0
110.09669	3.5
110.97555	1.4
111.23039	1.0
112.07604	1.8
114.05515	6.6
116.98624	4.7
119.01805	3.6
121.61430	1.0
126.09155	57.8
127.03874	1.3
127.09494	2.9
128.07069	4.0
128.98598	2.4
130.05016	2.0
130.08662	5.7
130.09457	1.1
131.01917	1.3
131.09001	7.5
132.06544	8.7
134.99667	1.2
136.07567	2.7
139.02443	0.9
144.10197	100.0
145.03419	1.3
145.10605	1.5
146.06058	0.9
146.99661	2.9
149.01234	1.4
154.08629	22.3
155.54526	0.9
157.03496	1.6
158.99628	1.5
162.05557	1.2
172.09680	46.6
173.09979	0.9
177.00702	1.8
181.93288	0.9
182.31909	0.9
185.02943	2.5
190.08885	3.4
190.10744	64.8
190.16269	2.2
191.10962	1.5
205.61169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0498
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.05020	0.2
56.96558	0.2
58.06588	0.3
59.16967	0.1
67.05493	0.2
69.03439	0.2
70.06599	0.3
70.72371	0.4
72.08137	0.3
79.05490	0.2
84.08139	1.2
86.06080	0.2
89.03909	1.5
91.05482	0.6
93.07011	0.2
98.09666	0.2
98.97587	0.1
100.07616	1.1
105.07013	0.3
107.04958	0.2
110.07198	0.2
111.09354	0.2
112.11257	0.4
116.04975	4.5
116.05808	0.2
116.98602	0.1
117.03358	0.2
117.07001	0.3
118.06525	0.2
119.04902	0.3
119.08562	0.2
119.59930	0.2
120.04431	0.2
122.18461	0.1
125.55666	0.1
129.13918	0.2
129.53944	0.1
130.06557	0.2
131.04924	0.5
134.05980	0.7
135.04369	0.2
140.02554	0.1
144.04427	0.4
145.06491	0.7
145.07561	0.2
146.05956	0.3
147.04416	0.6
149.18604	0.2
151.17805	0.1
162.05492	100.0
163.05849	2.5
164.05980	0.2
166.15944	0.3
175.06268	0.3
187.63998	0.2
190.04979	22.8
190.08513	2.2
191.03496	0.2
191.05295	0.6
191.06979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1072
Annotation	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
Peak:m/z	Relative Intensity
55.01867	1.0
55.05494	1.7
56.05028	2.9
56.96555	5.0
57.03421	4.2
58.06581	4.3
58.47092	1.0
59.04995	7.7
60.04514	2.3
60.08162	5.3
61.02910	1.6
61.08490	1.5
67.05498	1.6
68.05029	7.4
68.05795	1.0
69.03426	5.3
70.06586	6.9
71.04971	1.8
71.13927	2.3
71.66500	1.0
72.08128	2.3
73.02906	2.8
73.08456	1.0
74.06065	1.4
80.05000	2.8
80.15293	0.9
81.03408	1.6
81.07061	1.4
82.06579	4.5
83.05000	1.5
84.04497	2.2
84.08141	19.6
85.02892	3.7
85.06521	1.1
85.08471	20.0
86.06065	50.6
87.04469	36.6
87.04941	0.6
94.06594	1.1
95.04982	1.3
96.08121	2.2
97.02887	2.6
97.06503	1.1
98.06053	11.1
98.09653	1.0
98.97581	4.9
100.07600	2.5
104.07082	3.5
108.08121	9.9
109.08900	2.0
110.09669	3.5
110.97555	1.4
111.23039	1.0
112.07604	1.8
114.05515	6.6
116.98624	4.7
119.01805	3.6
121.61430	1.0
126.09155	57.8
127.03874	1.3
127.09494	2.9
128.07069	4.0
128.98598	2.4
130.05016	2.0
130.08662	5.7
130.09457	1.1
131.01917	1.3
131.09001	7.5
132.06544	8.7
134.99667	1.2
136.07567	2.7
139.02443	0.9
144.10197	100.0
145.03419	1.3
145.10605	1.5
146.06058	0.9
146.99661	2.9
149.01234	1.4
154.08629	22.3
155.54526	0.9
157.03496	1.6
158.99628	1.5
162.05557	1.2
172.09680	46.6
173.09979	0.9
177.00702	1.8
181.93288	0.9
182.31909	0.9
185.02943	2.5
190.08885	3.4
190.10744	64.8
190.16269	2.2
191.10962	1.5
205.61169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11346	0.2
54.03582	0.2
55.05508	0.7
55.61113	0.2
56.05030	2.0
57.07080	0.3
60.08165	22.1
67.05500	3.3
69.03427	0.3
69.07069	0.5
70.06599	1.7
70.16389	0.6
70.16805	0.6
72.07755	0.3
72.08154	4.9
74.02451	0.6
74.07195	0.4
77.80138	0.2
84.08144	100.0
85.06557	1.5
85.08469	0.9
86.09692	1.1
87.04459	1.4
94.34793	0.2
98.06071	0.3
98.20858	0.3
102.09193	0.3
112.07611	0.4
116.07097	0.5
118.08630	0.3
126.09163	1.6
130.08641	32.2
144.10233	0.3
144.11311	0.3
144.13860	2.1
154.08644	0.5
189.13313	0.6
189.15987	10.3
190.10767	0.6
194.71446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
56.05029	1.7
56.96567	0.8
57.03435	0.6
57.07066	0.2
58.99615	0.2
60.08161	21.3
67.05508	2.6
69.03412	0.7
69.07043	0.4
69.62122	0.8
69.62541	1.1
70.06590	1.5
72.08154	2.1
74.02435	0.6
74.07201	0.3
82.06581	0.3
84.08141	100.0
85.06542	1.5
85.08479	0.8
86.06087	0.4
86.09705	1.8
87.04463	0.6
92.72240	0.2
98.21456	0.5
98.97575	0.6
102.09172	0.4
112.07558	0.3
116.07067	0.5
116.98641	0.6
117.86455	0.2
119.01952	0.4
126.09142	0.7
130.08636	31.1
132.06628	0.4
134.99634	0.3
137.88602	0.2
139.71667	0.3
143.11841	0.3
144.10236	0.3
144.13834	2.4
146.99666	0.2
189.07243	0.4
189.15965	9.4
190.16306	0.3
190.42972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
55.05506	0.9
55.21609	0.2
56.05037	2.3
56.96566	9.3
57.03434	1.5
57.07058	0.2
58.06599	0.6
58.99578	0.3
59.04998	0.6
60.04532	0.6
60.05643	0.6
60.08163	20.7
61.02931	0.7
65.03938	0.2
67.05510	3.3
69.03432	3.4
69.07050	0.5
70.06596	5.0
70.98118	2.1
71.01344	0.6
71.04989	0.3
71.57061	0.3
71.95270	0.5
72.08162	4.5
73.02921	0.8
74.02453	0.5
74.06074	0.4
74.07166	0.5
74.97604	0.8
76.02227	0.9
81.03429	0.4
81.07059	0.3
82.06584	0.8
83.01342	0.5
83.05003	0.3
84.04502	0.5
84.08144	100.0
85.02868	1.0
85.06541	1.9
85.08482	1.0
86.06068	0.3
86.09717	2.2
87.04482	1.1
88.03983	0.5
88.99171	2.0
91.05502	0.3
95.01340	0.4
97.02882	0.5
97.99193	0.3
98.01303	0.3
98.06036	0.3
98.09677	0.6
98.97585	5.3
99.04450	0.4
100.07562	0.2
101.00876	0.4
101.02409	1.5
102.09178	0.4
103.02444	0.4
103.03982	0.2
105.07042	0.3
106.01071	0.3
107.00208	0.8
110.06066	0.2
112.07599	1.1
112.08733	0.3
113.01756	0.3
113.07106	0.5
115.02463	0.5
115.03960	1.1
116.07111	0.6
116.98624	5.6
118.01089	0.3
118.08653	0.9
119.01910	2.0
119.02646	0.4
121.01678	1.0
126.09154	1.3
127.03941	0.4
128.98552	0.3
129.01868	0.5
129.04004	0.2
129.07394	0.2
129.10214	0.4
130.08640	30.8
131.00198	0.5
131.01917	0.5
131.09003	0.4
132.00708	0.2
132.10159	0.3
133.01573	0.3
133.03412	0.7
133.59862	0.2
134.99672	4.4
135.03085	0.2
137.02948	0.4
138.01616	0.3
139.02612	0.4
142.08621	0.3
143.01956	0.3
143.03540	0.2
143.08948	0.2
143.11775	0.7
144.04782	0.5
144.10210	0.9
144.11255	0.3
144.13835	2.9
145.03503	0.3
146.99609	1.4
147.03217	0.3
147.05060	0.3
149.01195	0.4
149.06822	0.3
153.00713	0.7
154.08627	0.3
157.01305	1.6
157.03462	0.3
161.02948	0.3
163.02771	0.3
165.00751	2.1
165.04341	0.3
171.05035	0.3
172.09644	0.7
175.02516	0.2
178.04953	0.4
183.01756	0.3
185.02953	0.6
189.04187	0.3
189.05998	0.4
189.09160	0.2
189.13359	0.7
189.15982	8.5
190.05214	0.4
190.10727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.05511	5.6
62.68894	0.7
67.05491	4.2
69.03431	10.2
69.07054	3.3
71.09995	0.9
71.10313	1.1
75.72170	0.7
75.74148	0.8
79.05487	4.9
81.07046	5.7
83.04967	2.3
84.08121	1.0
89.40960	0.7
91.05486	12.7
93.07034	4.9
95.04964	4.1
95.08580	1.3
105.07030	27.7
107.08614	5.7
109.06514	2.5
111.72921	0.7
115.05447	1.2
117.07005	4.4
119.04931	1.6
119.08577	53.3
120.08863	0.9
121.06541	3.6
121.10123	2.3
128.06238	4.1
129.06987	3.4
131.08583	12.7
133.06499	5.9
133.10121	21.4
134.10435	0.7
135.08055	8.2
141.06996	4.7
142.07831	0.8
143.08563	6.9
144.09325	1.1
145.06483	6.1
145.10152	6.2
146.07280	1.9
146.10919	3.1
147.08040	25.3
147.11685	23.3
148.08450	0.9
148.12024	0.8
149.09560	0.8
155.08562	1.0
156.09349	25.5
157.09795	1.4
159.08055	25.8
159.11679	3.2
160.08849	9.8
161.09636	11.0
161.13246	29.2
161.49825	0.7
162.13612	1.3
171.11671	24.1
172.12036	1.1
173.09621	2.1
174.10402	48.0
175.10719	1.3
179.79686	0.7
189.12738	100.0
190.13031	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.5
55.05510	2.3
56.96566	6.3
67.05481	3.2
69.03424	8.3
69.07051	2.4
70.32690	1.3
71.57526	2.0
73.98668	1.5
75.90781	1.2
78.71486	1.3
79.05463	4.3
80.87989	1.1
81.03402	1.7
81.07068	1.9
83.04964	1.4
84.08146	10.8
85.02882	1.5
86.00620	1.6
86.09683	2.2
91.05476	15.6
93.07010	3.5
95.04947	3.2
95.08597	3.2
100.07616	4.4
103.05490	2.9
105.07034	22.0
106.06553	1.5
107.04964	1.4
107.08596	4.3
109.06487	1.8
115.05459	3.6
117.07005	7.0
119.04981	2.2
119.08589	31.9
121.06519	2.8
121.10121	2.4
128.06239	7.3
128.07016	1.5
129.07027	12.7
130.07773	5.6
130.08629	2.7
131.04926	1.7
131.08589	11.1
133.06490	3.2
133.10127	12.8
141.06998	13.4
143.08571	10.2
144.09319	2.5
145.06512	3.0
145.10135	19.1
146.07233	1.9
146.10912	2.5
147.04425	6.8
147.08047	12.1
147.11696	17.6
155.05386	1.8
155.08540	3.8
156.09349	66.7
157.06493	3.3
157.09711	2.6
159.08092	8.0
159.11702	17.0
160.08815	3.6
161.06050	3.1
161.09604	4.0
161.13203	6.5
171.11696	77.4
172.11958	1.4
174.06755	4.1
174.10442	12.3
189.05534	1.5
189.09193	8.8
189.12741	100.0
190.08557	2.6
190.13121	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	189.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27284	0.1
52.69291	0.1
55.05487	0.2
56.05029	1.5
58.06604	0.2
60.08161	22.1
61.08476	0.2
67.05501	2.5
69.07068	0.3
70.03345	0.4
74.02427	0.6
82.06614	0.1
84.08141	100.0
85.06541	1.4
85.08469	1.1
86.09690	0.6
96.67271	0.1
102.09164	0.4
112.07580	0.2
130.08635	33.2
131.08971	0.4
144.13826	2.2
145.14133	0.1
150.88109	0.1
189.15973	10.6
190.16214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27028	2.2
58.83543	1.9
61.42035	2.3
67.05501	2.7
69.03420	5.6
69.49302	19.1
76.52156	2.3
79.54457	2.3
84.08137	4.6
85.74764	2.1
91.04930	4.0
91.05479	11.8
98.21485	4.0
100.07633	3.8
105.07028	22.5
107.08619	2.7
115.05453	4.2
117.07006	7.4
119.08571	25.4
128.06242	4.9
129.07004	6.3
130.07767	6.2
131.08559	10.5
133.06471	5.5
133.10109	12.4
141.06995	17.1
143.07158	2.1
143.08562	9.8
144.09317	5.0
145.06465	2.6
145.10117	24.7
146.07324	2.9
147.08034	7.6
147.11687	21.3
155.08626	5.3
156.09346	87.9
159.08075	9.0
159.11690	18.2
160.12094	2.5
161.09578	4.5
161.13220	3.2
171.11690	100.0
172.12047	3.3
174.10379	17.9
189.12747	98.0
198.70099	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42362	0.9
50.52938	0.8
53.03931	1.0
54.82737	0.9
55.05493	2.8
56.96580	1.0
62.73043	0.9
67.05495	2.1
69.03427	7.7
69.07047	2.1
70.89745	1.6
70.90090	2.0
79.05473	3.1
81.07064	1.3
83.04958	2.0
84.04493	1.0
84.08176	1.7
84.73692	1.0
84.78757	0.9
86.09657	1.3
91.05470	12.0
93.07026	2.9
95.04942	2.9
100.07591	1.2
103.05456	1.8
105.07023	20.4
107.08575	4.7
109.06506	1.7
115.05410	3.3
117.07002	5.8
119.04935	3.4
119.08576	35.5
121.10120	2.6
128.06221	8.0
129.06992	7.1
130.07799	6.1
131.08563	9.8
133.06474	3.5
133.10129	10.2
135.08067	1.6
141.06993	13.2
143.08549	10.1
144.09317	2.7
145.06435	2.8
145.10118	21.0
146.07257	1.5
146.10844	1.3
147.04422	5.4
147.08034	10.8
147.11681	22.3
155.08563	4.3
156.09338	72.0
157.06535	1.2
157.09720	2.1
159.08040	11.0
159.11682	14.3
160.08800	3.2
161.06010	1.6
161.09618	4.3
161.13246	8.7
171.11685	80.7
172.12068	2.5
173.09612	1.1
174.06772	2.5
174.10381	17.0
184.37265	0.9
189.09241	5.0
189.12732	100.0
190.13104	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	189.1235
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
55.01862	0.9
55.05501	1.2
56.05029	1.0
56.96568	4.1
57.03438	0.9
58.06589	1.1
60.04523	0.7
60.08168	5.2
60.16093	0.3
61.02916	0.3
65.18845	0.3
67.05506	0.8
68.05033	0.3
69.03425	1.4
69.07066	1.2
70.06591	2.3
71.56085	0.7
72.04501	0.3
72.07748	0.5
72.08154	8.8
73.02908	0.8
74.02422	0.4
76.04028	0.4
77.09802	0.3
79.05507	0.5
81.03435	0.6
81.07063	0.5
82.06581	0.8
83.01286	0.3
83.04995	0.6
83.06936	0.4
84.04507	1.2
84.08144	21.3
85.02909	1.5
85.04883	0.3
85.06532	0.4
85.08467	0.4
86.00659	0.8
86.06084	0.5
86.09706	100.0
87.04461	1.0
87.10027	1.6
91.05479	1.0
93.07032	0.4
95.06110	0.3
96.04487	0.8
97.02895	0.6
98.06057	0.5
98.97583	1.5
100.07628	0.4
101.02409	0.6
105.07037	2.2
106.43208	0.3
107.04957	0.8
107.08602	0.6
110.06053	0.4
111.06360	0.5
112.11269	0.4
113.07146	0.3
114.05525	1.4
115.03930	0.4
115.05458	0.4
116.98622	1.9
118.08641	0.5
119.01929	0.5
119.08588	1.1
125.07899	0.5
126.12790	0.5
126.81136	0.3
127.01577	0.3
128.06233	0.5
128.07094	0.4
129.10306	0.4
130.04968	0.3
130.08638	7.0
132.06569	0.3
133.06512	0.7
133.10144	0.6
134.99670	1.5
143.08609	1.0
143.12686	0.5
144.13849	2.3
145.06511	0.4
145.10057	0.4
146.99632	0.8
147.08041	0.5
147.11687	0.4
147.96872	0.4
150.00766	0.4
150.96884	0.5
153.00711	0.3
153.07420	0.5
156.09393	0.5
157.01436	0.4
157.06248	0.4
161.05986	1.0
162.05545	0.8
169.33134	0.3
171.08440	0.5
171.11740	0.7
172.09727	0.5
174.10460	0.4
177.00783	0.7
189.05481	1.0
189.06898	0.9
189.09045	1.2
189.12613	1.7
189.15967	1.8
190.05040	0.8
190.08704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01873	11.1
55.05517	4.8
57.03421	1.2
61.20406	1.0
63.29799	0.8
65.03925	1.3
65.83537	0.9
67.05178	1.5
67.05502	19.1
69.03406	0.8
69.07076	6.8
70.03410	3.8
70.03765	1.6
79.05488	23.6
81.06590	1.0
81.07051	14.4
83.04973	1.6
83.08598	1.3
85.06542	2.5
91.05475	100.0
92.05819	1.9
93.07036	10.5
95.04950	4.7
95.08607	6.3
97.06519	5.1
103.05439	2.4
105.07024	42.4
107.04962	5.1
107.08588	4.3
109.06503	2.6
115.05425	3.2
117.07011	16.4
119.08579	25.6
121.06497	4.1
121.10081	1.1
123.77801	0.9
128.06216	8.5
129.07001	46.5
130.07733	3.7
131.08580	7.3
133.06456	3.4
133.10120	19.4
135.08043	1.4
135.37042	0.9
141.06953	2.1
142.07718	1.6
143.08556	23.4
145.06384	1.3
145.10118	33.1
147.08037	8.8
147.11676	13.0
156.09335	3.4
159.07979	1.0
159.11644	1.3
161.09595	3.0
161.13239	14.2
165.29665	0.9
171.11685	50.4
172.12041	1.8
189.12732	96.6
190.08640	0.9
190.13037	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	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57939	0.3
64.93958	0.3
70.46262	1.2
91.05480	4.2
103.05431	0.7
109.99137	0.3
114.18107	0.3
115.05450	5.4
117.05784	1.6
117.07017	4.1
118.06546	73.2
119.06845	1.6
122.04028	0.3
128.04950	0.5
132.08076	0.5
142.06522	5.9
143.07309	12.1
144.04471	0.9
144.08089	23.9
145.06477	1.3
145.08398	1.0
146.06013	100.0
147.06371	2.3
155.06021	0.5
160.07564	0.8
170.06009	8.9
188.07076	13.3
189.07423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.01870	38.1
55.05509	6.7
56.05045	5.9
56.05274	1.3
56.96562	15.4
57.03415	3.4
58.06598	2.5
58.99612	0.9
60.04520	7.7
60.05637	1.3
60.08152	2.5
61.02912	3.3
65.03932	1.3
67.04218	1.6
67.05492	2.5
68.05010	3.0
69.03436	4.9
69.07047	2.2
70.02950	2.5
70.06585	7.2
70.95882	2.0
70.98100	1.3
71.01335	1.2
71.04974	3.0
71.30619	1.8
72.04504	1.8
72.08158	4.9
73.02919	4.8
74.02444	0.9
74.06071	1.8
74.97569	0.9
79.05496	7.9
80.05006	2.2
81.03400	3.2
81.05791	1.1
81.07066	4.8
82.06579	33.6
83.04974	6.2
84.04501	34.4
84.08140	16.9
84.96032	1.0
85.02910	9.4
85.08464	1.2
86.06052	2.6
86.09702	14.9
87.04460	8.6
88.03970	1.9
88.99136	1.3
95.04961	2.1
96.04487	1.9
96.08125	45.7
97.02885	2.2
97.06520	5.6
97.99240	0.9
98.06067	7.9
98.09655	2.0
98.97573	5.5
99.02669	1.2
99.04443	1.5
100.03963	2.3
100.07588	4.7
102.05531	3.2
107.04949	5.4
108.04425	1.1
109.02840	1.0
110.06040	81.3
110.09688	1.1
111.00808	1.0
111.04457	7.8
111.06345	1.0
112.11203	0.9
114.05525	4.3
115.03912	1.5
116.07095	1.8
116.98607	6.5
117.01897	1.1
119.01898	1.8
122.06049	1.4
124.07588	100.0
124.11205	3.2
125.05978	6.8
125.07960	1.7
126.05492	4.5
127.01556	1.8
128.03452	1.1
128.07076	40.4
128.10681	2.4
128.98590	1.4
129.01868	1.2
129.05505	1.4
129.10222	1.1
130.05006	1.8
130.08632	3.6
134.06000	0.9
134.99699	6.2
135.04413	3.1
139.01437	1.0
140.07076	1.0
142.03220	9.7
142.05013	1.7
142.08632	23.8
142.12257	2.9
144.01036	1.9
146.08118	4.0
146.99675	2.6
152.07065	81.4
153.00650	1.3
153.05460	5.4
153.07384	1.3
157.01283	1.2
165.00745	1.0
170.06404	6.1
170.08112	53.2
170.11769	3.1
171.06458	1.9
171.08560	1.1
175.11981	1.2
177.00703	1.7
187.05630	1.0
188.03738	4.9
188.05473	1.0
188.07416	2.2
188.09172	33.5
188.12721	7.1
189.07028	4.8
190.98613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.9
55.01863	10.5
55.05512	24.1
56.05010	5.9
57.03432	11.0
57.07057	8.5
59.04992	21.0
67.05180	6.1
67.05506	74.6
69.03414	15.7
69.07056	19.6
69.56606	44.1
71.04988	81.9
72.08163	8.2
77.53063	4.9
78.06548	4.4
79.05499	37.6
81.03415	8.3
81.07053	96.8
83.04987	11.2
83.08595	7.5
84.04503	34.8
84.08147	6.8
85.02912	10.8
85.06544	92.1
87.04457	8.8
88.02209	14.4
91.05470	93.6
93.07042	97.4
95.04946	10.7
95.08592	19.1
97.02910	7.5
97.06513	5.6
98.20721	9.1
101.49423	4.6
103.04686	4.4
105.07019	73.5
106.68871	4.9
107.08586	48.4
109.06493	14.1
109.10147	58.3
109.71825	5.1
110.01060	4.9
111.08055	20.7
115.05451	16.9
116.04411	5.0
116.06208	18.0
117.07014	17.3
118.03710	4.5
118.06528	15.8
119.08567	21.6
121.10184	5.1
123.11683	17.8
123.71767	5.7
126.05501	6.0
127.83005	4.4
128.06204	16.8
128.07083	16.7
129.06966	27.8
130.07741	6.1
131.04901	10.8
131.08548	70.1
133.10123	82.1
138.10289	4.7
141.06976	13.1
143.08542	9.5
144.05685	53.9
144.09308	9.5
145.06407	18.1
145.10110	63.6
146.05997	18.9
151.11191	41.3
156.05716	7.9
158.07170	6.3
159.06955	7.6
159.08063	50.5
159.11670	27.4
166.00847	4.9
169.12254	11.7
172.05205	23.4
172.08789	10.7
173.00824	7.1
173.05878	5.2
187.07530	100.0
187.11064	28.0
187.14803	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	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.34027	0.3
52.87875	0.3
62.79824	0.4
70.73958	0.4
70.74293	1.1
91.05478	6.6
103.05449	0.7
115.05459	8.4
117.05780	2.1
117.07013	4.8
118.06541	78.0
119.06878	1.6
132.08096	0.7
133.42932	0.5
142.06531	6.2
143.07304	12.7
144.08083	26.2
145.06491	1.4
146.06006	100.0
147.06357	2.6
155.06046	1.1
160.07561	1.0
170.06004	7.9
178.64418	0.4
188.07062	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.9
54.14394	2.4
54.55051	2.4
55.01859	6.9
55.05518	25.4
56.96553	5.7
57.07066	5.0
59.04996	29.3
60.05625	3.5
65.03959	4.0
67.05500	13.6
69.03423	6.6
69.07060	10.5
70.06583	8.1
71.04988	12.3
71.57105	3.6
71.57498	5.8
72.08152	37.5
74.02413	3.9
79.05492	25.8
80.05792	3.3
81.03402	8.5
81.07059	95.3
82.06579	11.0
83.04983	3.5
83.08613	7.2
84.04486	8.6
84.08142	4.0
85.02878	4.3
85.06543	4.2
86.02438	18.5
87.04468	9.8
88.02217	3.0
91.05490	36.1
93.07047	63.9
94.07368	3.2
95.04949	11.9
95.08595	5.6
96.08102	4.4
97.06516	4.5
98.02389	4.8
98.97573	11.5
99.09208	3.4
100.07613	12.3
103.05488	3.5
105.07033	28.4
107.08588	15.0
109.06473	8.2
109.10152	14.5
111.08080	15.1
114.10269	3.1
115.05449	11.5
116.06261	15.6
116.98632	9.1
117.07001	7.5
118.06544	24.8
119.08571	4.7
121.10129	7.1
123.04448	2.9
123.11691	11.9
126.04700	2.9
127.08678	24.1
128.06194	13.2
128.07066	76.7
129.06978	13.9
131.04916	7.2
131.08569	16.1
133.10130	9.5
134.99655	5.8
139.11211	4.2
141.06969	3.3
142.08607	11.8
143.07286	3.7
144.05692	48.3
144.08072	8.5
144.09247	2.9
145.06400	10.6
145.10118	12.8
146.06012	25.2
146.09657	3.2
147.07883	2.9
151.11215	12.8
155.06067	2.9
156.05736	5.5
157.06427	3.1
157.09999	3.1
159.06853	5.8
159.08058	56.1
159.09262	5.5
159.11702	9.2
169.12270	4.5
170.06044	2.8
170.09355	5.4
172.05200	34.2
172.08815	7.8
187.05885	4.9
187.07547	100.0
187.12076	27.4
187.14719	5.1
188.07144	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	185.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.3
55.01881	0.6
55.05508	2.5
59.42093	0.2
64.90398	0.2
65.03940	0.8
65.24787	0.2
67.05493	0.4
69.03424	2.7
69.07063	0.3
69.40088	0.2
69.86620	0.9
69.87032	0.4
75.20080	0.2
78.68709	0.2
79.05492	1.3
81.07069	0.4
83.08600	1.0
86.78327	0.2
91.05463	2.1
93.07052	0.4
95.04942	0.3
97.10153	1.3
102.96867	0.3
103.05490	0.2
105.07033	3.3
107.08581	0.5
115.05447	6.4
116.06229	0.7
117.07024	1.1
125.09671	0.3
127.05444	0.3
128.06218	9.2
129.06999	29.7
130.07376	0.7
131.08572	0.5
138.22495	0.2
141.06981	24.7
142.07771	100.0
143.08337	3.3
144.06560	0.2
145.06473	1.5
152.06203	0.6
153.07001	0.4
155.06004	0.7
155.08554	2.9
156.09279	1.1
157.10120	23.6
158.10446	0.8
159.08035	1.3
165.07021	0.5
167.08583	1.5
169.06400	0.5
169.07640	0.9
170.07245	1.5
170.10904	0.6
174.63957	0.2
178.82680	0.2
185.09602	52.9
186.09958	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1287
Annotation	Acisoga
Peak:m/z	Relative Intensity
51.36741	0.4
55.05505	0.8
56.05036	5.3
56.96568	0.8
58.06594	2.9
68.05039	0.4
69.07022	0.4
69.48410	3.1
70.06590	2.4
84.08146	13.1
86.09718	1.5
86.78369	0.4
89.37902	0.4
96.08131	68.7
97.08459	0.7
98.97562	0.8
112.07605	1.1
125.10756	0.8
129.10239	4.9
139.03917	0.9
139.12303	51.5
140.12622	0.8
185.12856	100.0
186.13264	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	187.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39689	0.5
53.03928	0.6
55.01875	0.6
55.05509	11.7
56.05022	1.3
56.49890	0.5
56.96559	1.5
57.03424	0.9
58.02960	2.2
60.04517	0.5
60.05645	6.1
61.02918	0.6
61.18483	0.4
67.05499	0.7
69.03413	1.6
69.07065	0.9
70.06587	5.9
71.57676	0.7
71.58093	0.4
72.07748	1.1
72.08151	20.0
73.06531	0.9
74.02032	1.0
74.02437	13.0
74.06083	0.7
74.49866	0.5
77.56564	0.4
79.05473	0.7
81.03409	1.5
81.07040	0.9
82.06575	1.7
83.06109	0.5
83.08607	1.4
84.04498	3.4
84.08143	1.6
85.02892	1.3
86.02426	34.1
86.09679	0.6
87.07935	0.7
88.02211	1.9
91.05466	2.1
95.04989	0.5
95.08579	0.5
96.04519	0.5
97.07650	2.5
98.06052	0.8
98.97559	0.9
99.09210	2.2
100.07611	10.0
101.07111	0.7
103.05460	0.9
105.07018	0.8
109.02867	0.5
114.10262	2.2
115.05444	1.8
115.08694	0.5
116.06264	0.5
116.98609	0.5
117.06985	0.8
118.06535	4.1
119.01878	0.5
119.04939	0.8
127.07717	0.9
127.08674	20.4
128.07072	100.0
129.07346	2.2
129.10150	0.5
131.04927	1.4
131.08559	1.1
131.12929	1.6
134.99641	0.9
142.06691	1.0
142.08760	0.8
142.09750	3.6
143.07307	1.1
144.05708	1.8
144.08141	1.1
144.09238	0.7
145.06424	0.5
145.09689	6.6
146.06006	6.0
152.08170	1.7
159.06931	0.8
159.08086	2.0
159.11673	0.7
160.07565	2.1
170.06013	2.9
170.09242	7.8
172.05212	1.2
173.00867	1.1
181.02945	0.7
182.03236	0.7
187.03839	0.5
187.07483	4.0
187.11908	41.8
188.07082	3.5
188.09175	0.5
188.12212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	1.8
58.06611	0.8
60.08166	19.1
61.95586	0.4
69.49742	0.4
70.06606	0.4
70.54601	0.4
70.99139	0.4
70.99471	1.0
71.07379	12.9
71.46306	0.5
85.72579	0.4
86.09705	100.0
87.10033	2.1
98.98466	21.6
101.95049	0.9
104.10744	4.9
106.03715	0.7
106.04908	0.5
109.20825	0.4
113.00419	0.5
116.99512	0.6
125.00004	81.2
126.00341	0.5
137.97069	0.7
143.01048	1.4
154.07300	0.6
155.08162	0.5
156.08929	1.7
184.07336	72.9
185.07661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03396	29.4
71.10244	85.7
85.02909	93.5
90.11334	29.7
98.06057	46.7
104.15299	31.3
114.05516	100.0
119.01921	81.0
126.05496	48.0
131.01881	40.5
140.06998	39.4
162.28076	36.9
168.06589	31.9
179.40259	26.1
185.04449	30.3
186.07829	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0445
Annotation	3,4-Dihydroxymandelate
Peak:m/z	Relative Intensity
51.75474	0.2
53.03936	0.8
55.01870	3.6
55.05500	0.5
56.05013	0.7
56.96548	0.6
57.03439	0.3
58.06606	0.2
59.05006	0.2
65.03932	1.8
67.01854	0.5
67.05502	3.3
68.05013	0.4
68.63918	0.2
68.99789	2.1
69.03429	0.5
69.07071	0.4
70.06580	0.5
70.88295	0.6
71.04983	0.7
72.08162	0.4
79.05484	0.2
80.04974	0.3
81.03401	0.3
82.06580	0.3
83.04964	1.3
83.06074	0.2
84.04487	0.3
84.08129	0.5
85.02901	0.5
86.06020	0.2
86.09707	1.2
93.03400	2.9
93.07034	0.2
95.04964	2.0
96.08117	0.8
97.02876	0.7
97.06493	0.3
97.07719	0.2
98.06020	0.3
99.00852	0.2
99.04462	1.8
99.33503	0.2
111.04449	3.3
112.04009	0.2
114.05490	0.4
115.03907	0.4
116.98608	0.4
119.01879	0.2
121.02852	0.8
124.99989	0.2
125.02359	0.6
126.05468	0.3
127.08662	0.3
131.77002	0.2
135.06346	0.7
139.03899	100.0
139.12318	0.3
140.04239	1.9
140.07068	0.4
142.02560	0.2
152.07091	0.2
153.01816	0.3
153.07396	0.8
157.04913	0.3
167.01985	0.3
167.03400	6.4
167.08147	0.3
168.11461	0.3
181.02907	0.5
185.04485	0.4
185.09187	0.5
185.12779	1.2
186.07677	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	184.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94643	0.3
55.05515	0.9
56.05025	1.6
56.51952	0.4
58.06614	0.6
60.08163	20.0
70.06597	0.8
70.71560	0.8
70.71900	0.7
71.07372	13.5
81.91180	0.3
86.09705	100.0
87.10036	1.6
98.98466	21.2
104.10754	5.3
106.03754	0.4
116.99472	0.6
119.82540	0.3
124.07552	0.4
125.00003	86.8
126.00324	0.5
143.01041	1.5
166.02669	0.5
184.07339	76.5
185.07668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0804
Annotation	2-Hydroxyfluorene
Peak:m/z	Relative Intensity
53.03950	1.7
55.01873	0.5
55.81885	0.4
67.05513	0.8
67.63055	0.4
69.60638	3.1
76.60271	0.4
77.03918	0.6
80.09631	0.4
81.07063	0.6
84.08139	0.6
95.04964	3.3
95.08643	0.5
98.21457	0.8
98.98462	4.7
103.05466	0.9
105.03395	3.5
115.05449	12.6
121.54721	0.4
123.04430	0.8
127.01540	0.6
127.05466	0.5
128.06219	5.5
129.07005	15.7
130.07364	0.4
137.57358	0.4
140.04695	0.5
141.06973	2.8
143.04926	0.9
145.06462	3.9
152.06212	1.2
153.06987	39.4
154.07779	18.5
155.06059	2.8
155.08551	100.0
156.08856	3.2
165.06999	4.3
166.55753	0.4
168.05727	1.7
168.09375	2.1
183.08049	71.2
184.08432	3.5
198.70178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49276	0.2
56.05032	1.7
56.96533	0.2
58.06598	0.5
58.99866	0.2
60.00624	0.2
67.05496	0.2
68.05003	0.2
71.36327	0.4
82.06543	0.3
82.99857	0.8
83.06102	0.8
84.04493	0.6
86.06075	0.2
91.70123	0.2
95.04921	0.2
97.07652	0.3
98.97543	0.2
98.98445	0.3
100.02484	0.4
101.00865	7.4
101.47683	0.2
102.00982	0.3
102.04058	0.2
105.03394	0.3
106.03691	0.2
109.07638	0.2
111.09248	0.2
116.05600	0.5
116.98585	0.2
118.03497	1.5
119.01917	100.0
120.02007	5.1
120.05012	0.2
121.01647	0.5
121.02381	0.3
122.17548	0.2
124.02435	0.8
133.03455	0.3
134.02992	0.3
134.06615	0.4
134.99695	0.3
136.04579	1.1
137.02951	59.9
138.03069	3.0
138.04272	0.4
138.05377	0.2
138.74400	0.2
139.03453	0.3
141.05043	0.4
141.35724	0.2
142.03496	21.6
143.03711	1.9
144.03159	0.2
145.04611	0.3
151.04604	0.2
156.05043	0.3
158.06627	1.2
159.06126	0.4
160.04555	11.1
160.05957	0.4
161.02928	4.4
161.04477	2.6
162.03012	0.3
162.04308	0.7
165.05101	1.4
176.07692	0.3
177.00887	0.3
178.01053	0.3
178.03787	0.6
178.05605	0.8
178.94971	0.2
179.03986	9.4
179.05525	1.3
180.05424	0.3
183.06171	0.2
184.04529	1.5
184.06247	0.6
184.10870	0.2
202.05592	1.7
202.07330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.6
51.02386	0.8
53.03944	8.8
54.04271	0.3
55.01872	4.1
55.05507	0.9
56.05033	0.8
56.96563	5.5
57.03441	0.4
57.04543	0.4
57.07069	0.3
58.06598	0.4
59.06119	2.1
65.03941	5.5
65.04278	0.5
66.04729	0.4
67.05500	8.6
68.05036	0.7
69.03414	1.5
69.07065	0.9
69.28171	1.8
69.28599	1.4
70.06596	1.8
71.04990	1.2
72.04473	0.4
72.08160	1.0
74.27016	0.3
77.03929	1.3
79.05481	1.6
81.03413	2.6
81.04580	0.4
81.07048	1.7
82.06554	0.7
83.04968	0.6
83.06099	0.8
84.04515	0.5
84.08147	1.4
84.96036	1.1
85.02905	1.1
85.07671	0.4
86.09698	0.6
91.05478	6.6
92.05809	0.4
93.03400	0.8
93.07050	1.5
94.04202	0.3
94.06577	0.3
95.04962	100.0
95.08607	2.1
96.05309	1.1
97.02875	1.7
97.06531	0.3
97.07640	0.8
98.03673	0.5
98.06055	0.5
98.09706	0.4
98.97591	2.3
98.98458	7.9
99.04466	1.1
99.05552	0.6
100.07606	0.9
105.03397	5.5
105.04501	4.9
105.54054	0.3
107.04963	0.5
107.08599	0.9
108.02071	0.6
109.02879	1.0
109.06496	0.8
109.07655	1.6
109.10147	0.8
110.03668	0.5
110.07143	0.4
110.97562	0.8
111.04447	1.3
112.11208	0.4
116.98627	3.0
116.99424	0.6
118.06520	0.3
119.01932	0.6
119.04933	6.3
119.08547	1.5
121.04002	1.0
121.10113	0.4
122.03619	0.3
123.04420	60.5
123.08057	1.4
124.01212	0.3
124.04774	0.8
124.07602	0.9
124.08738	0.9
125.00003	0.6
125.02343	4.7
125.07110	0.8
127.01570	1.3
127.07588	0.4
127.08659	0.4
128.98593	1.0
133.02797	0.4
134.99651	2.9
136.08763	0.3
137.05971	1.0
137.07935	0.4
137.09604	1.2
138.05515	0.4
138.09169	0.4
140.04674	27.1
140.08151	0.6
141.11087	0.4
146.99623	1.8
147.04402	13.4
147.07988	0.9
148.04720	1.6
155.04990	0.5
155.07024	12.5
156.07413	0.4
158.99646	0.5
161.01221	1.8
165.09209	0.5
166.09795	0.6
168.04205	0.4
168.07425	0.5
170.99609	0.4
173.08020	0.4
177.00822	0.7
179.02281	0.5
182.00066	0.3
183.06496	3.0
183.07993	0.8
183.10028	0.4
183.12437	0.4
184.07242	0.7
189.00757	0.5
195.36732	0.3
201.00685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.8
56.96548	0.6
58.99837	0.5
70.41812	1.6
82.01466	0.5
82.99863	0.9
83.06101	4.1
84.04485	0.6
95.04955	1.1
98.98477	1.5
100.02500	1.5
101.00874	12.6
105.03373	0.7
115.89694	0.4
118.03520	8.2
119.01919	100.0
120.02003	1.7
121.01665	0.7
123.04427	0.5
124.02446	1.9
127.01574	0.4
128.35623	0.5
128.50848	0.4
136.04561	6.8
137.02953	44.5
138.03087	0.7
141.05077	1.3
142.03499	33.0
143.03592	0.5
158.06628	0.7
159.06148	4.7
160.04555	39.8
161.02940	3.0
161.04073	0.5
161.04866	0.5
165.05162	1.2
176.04102	0.5
177.00977	4.1
177.04219	0.5
178.01030	0.5
178.04010	0.6
178.05600	13.8
178.07172	0.7
179.03990	4.9
179.05417	0.5
183.06169	5.9
184.06226	0.5
201.07184	4.3
202.05630	0.7
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	mHPHA
Peak:m/z	Relative Intensity
50.01595	0.6
51.02386	0.8
53.03944	8.8
54.04271	0.3
55.01872	4.1
55.05507	0.9
56.05033	0.8
56.96563	5.5
57.03441	0.4
57.04543	0.4
57.07069	0.3
58.06598	0.4
59.06119	2.1
65.03941	5.5
65.04278	0.5
66.04729	0.4
67.05500	8.6
68.05036	0.7
69.03414	1.5
69.07065	0.9
69.28171	1.8
69.28599	1.4
70.06596	1.8
71.04990	1.2
72.04473	0.4
72.08160	1.0
74.27016	0.3
77.03929	1.3
79.05481	1.6
81.03413	2.6
81.04580	0.4
81.07048	1.7
82.06554	0.7
83.04968	0.6
83.06099	0.8
84.04515	0.5
84.08147	1.4
84.96036	1.1
85.02905	1.1
85.07671	0.4
86.09698	0.6
91.05478	6.6
92.05809	0.4
93.03400	0.8
93.07050	1.5
94.04202	0.3
94.06577	0.3
95.04962	100.0
95.08607	2.1
96.05309	1.1
97.02875	1.7
97.06531	0.3
97.07640	0.8
98.03673	0.5
98.06055	0.5
98.09706	0.4
98.97591	2.3
98.98458	7.9
99.04466	1.1
99.05552	0.6
100.07606	0.9
105.03397	5.5
105.04501	4.9
105.54054	0.3
107.04963	0.5
107.08599	0.9
108.02071	0.6
109.02879	1.0
109.06496	0.8
109.07655	1.6
109.10147	0.8
110.03668	0.5
110.07143	0.4
110.97562	0.8
111.04447	1.3
112.11208	0.4
116.98627	3.0
116.99424	0.6
118.06520	0.3
119.01932	0.6
119.04933	6.3
119.08547	1.5
121.04002	1.0
121.10113	0.4
122.03619	0.3
123.04420	60.5
123.08057	1.4
124.01212	0.3
124.04774	0.8
124.07602	0.9
124.08738	0.9
125.00003	0.6
125.02343	4.7
125.07110	0.8
127.01570	1.3
127.07588	0.4
127.08659	0.4
128.98593	1.0
133.02797	0.4
134.99651	2.9
136.08763	0.3
137.05971	1.0
137.07935	0.4
137.09604	1.2
138.05515	0.4
138.09169	0.4
140.04674	27.1
140.08151	0.6
141.11087	0.4
146.99623	1.8
147.04402	13.4
147.07988	0.9
148.04720	1.6
155.04990	0.5
155.07024	12.5
156.07413	0.4
158.99646	0.5
161.01221	1.8
165.09209	0.5
166.09795	0.6
168.04205	0.4
168.07425	0.5
170.99609	0.4
173.08020	0.4
177.00822	0.7
179.02281	0.5
182.00066	0.3
183.06496	3.0
183.07993	0.8
183.10028	0.4
183.12437	0.4
184.07242	0.7
189.00757	0.5
195.36732	0.3
201.00685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	Kinabalurine E
Peak:m/z	Relative Intensity
53.03948	1.0
55.01875	1.8
55.05512	13.2
56.96578	1.0
57.03432	1.9
57.07076	4.6
58.02961	46.6
58.66194	0.7
61.76618	0.6
65.03941	1.0
67.05505	36.6
68.05861	0.8
69.03430	1.1
69.07068	92.5
69.93793	2.8
69.94205	1.1
70.06603	4.8
70.07399	1.6
71.04994	0.8
71.08647	0.8
72.08167	1.7
73.05986	0.6
74.06101	1.4
79.05491	9.3
80.70612	0.7
80.78952	0.6
81.07057	35.4
82.06581	1.1
82.07395	1.1
83.04976	2.3
83.08624	11.1
84.04478	1.0
84.08144	13.7
85.06581	0.8
86.06069	1.1
86.09747	0.8
91.05478	7.4
93.07043	18.6
95.04945	5.3
95.08606	12.0
96.08144	1.3
97.06538	6.9
98.06052	3.8
98.09689	3.5
98.97604	1.4
98.98452	3.7
100.07624	9.0
105.03410	1.2
105.07033	21.3
107.08599	28.7
108.08089	1.1
109.06517	3.4
109.10157	69.3
110.10489	1.5
112.07593	3.9
114.09168	16.7
116.98625	1.7
119.08603	3.1
121.10145	2.8
122.02388	3.6
123.04397	0.8
123.08068	1.3
123.11726	12.4
124.11236	1.2
125.05981	0.8
126.09155	14.4
126.12760	2.0
133.10135	36.3
134.10519	0.8
134.99675	1.6
135.11696	27.1
135.12723	1.6
137.13252	1.3
138.12781	29.5
139.13158	0.8
139.18272	0.8
140.10715	1.6
140.14345	1.8
147.11694	7.1
151.11182	11.8
153.12743	18.2
154.15930	2.1
155.08521	1.0
157.73541	0.7
164.14365	4.4
165.12737	3.7
166.98589	0.8
182.15405	100.0
183.11696	1.4
183.15736	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	182.0811
Annotation	Tyrosine
Peak:m/z	Relative Intensity
51.01628	0.3
53.03928	0.3
53.87352	0.3
55.01868	0.6
55.05500	0.5
56.05029	0.5
56.96559	1.2
60.40219	0.3
60.90189	0.3
65.03942	0.9
67.05511	0.9
68.05038	0.8
69.03439	0.4
69.22693	0.3
70.06577	0.5
70.81902	0.4
70.82239	0.7
71.05003	0.4
72.04504	0.3
74.02438	0.9
79.05476	0.7
80.05020	0.9
81.03421	0.5
81.07070	0.7
83.04966	0.4
83.06117	0.5
84.04492	0.6
84.08147	0.7
85.02895	0.6
86.06071	0.5
91.05479	39.9
92.05794	0.6
93.03380	0.4
93.05785	0.4
93.07041	1.0
94.06545	1.0
94.07323	0.3
95.04962	6.7
95.06085	0.3
96.04523	0.4
96.66587	0.3
97.02915	0.4
98.06065	0.6
98.97593	0.9
98.98467	1.1
103.05453	1.6
105.03397	0.8
107.04936	1.0
107.06168	0.3
108.04482	0.5
108.05164	0.3
108.08111	1.3
109.06552	2.4
109.07676	0.5
110.03619	0.4
111.04438	0.8
112.07568	0.5
113.05959	0.4
116.14870	0.3
116.98624	0.7
118.06545	2.7
119.04939	39.2
119.81750	0.3
120.05292	0.8
121.02859	0.3
121.06565	0.5
122.06001	0.8
123.04421	15.4
125.07159	0.3
134.99677	0.4
136.07574	100.0
137.06079	0.6
137.06987	0.4
137.07999	1.5
138.03047	0.5
139.03864	0.9
140.04646	0.3
140.07103	0.4
140.08160	0.6
147.04393	5.8
150.05470	0.4
152.07065	0.7
153.05469	3.5
154.04926	0.3
154.08617	1.7
164.07069	1.1
164.10687	0.4
165.05492	6.0
165.06824	0.3
166.98663	0.4
167.03302	0.7
177.00648	0.3
181.05048	0.4
182.04343	0.4
182.05722	1.2
182.08089	4.8
182.11662	0.5
183.02922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03942	0.8
56.96561	6.5
57.03431	0.9
65.03939	0.5
67.05489	0.5
69.03419	1.1
69.81425	2.7
69.81830	0.7
70.06577	0.4
70.98129	0.7
73.02892	0.8
78.95273	1.0
80.04994	0.5
81.03387	0.5
84.08140	1.9
85.02899	1.3
88.83001	0.5
88.99152	0.6
91.05479	39.1
92.05814	0.5
93.07011	0.8
94.06567	0.8
95.04362	1.0
95.04969	17.1
97.02875	1.0
98.20677	0.5
98.97582	4.4
100.02480	1.0
103.05488	1.6
107.04971	1.6
108.08109	3.3
109.06517	1.4
110.01358	0.6
116.98606	2.0
118.03545	0.7
118.06545	2.2
119.01888	1.1
119.04942	40.8
119.97843	0.8
120.05313	0.6
121.05206	0.5
121.06512	0.7
122.06044	0.7
122.94193	0.7
123.04428	45.7
124.04798	0.7
126.98752	0.8
127.03859	0.5
128.98657	0.7
130.08624	0.9
131.01851	0.7
131.81134	0.5
134.99661	1.8
136.07576	100.0
137.05974	0.5
137.07935	1.9
144.99860	2.4
146.99583	0.5
147.04398	13.2
147.05519	0.9
158.96338	0.9
158.99672	1.0
161.01239	0.5
163.00940	0.5
163.27164	0.5
164.05663	2.7
164.07039	2.0
165.05486	15.6
165.07648	0.9
167.08299	0.5
177.00708	1.3
177.02484	1.3
182.02684	0.7
182.06711	0.7
182.08136	8.9
201.00664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03944	1.1
55.01858	1.3
55.05499	4.3
56.96552	2.2
57.07076	22.7
59.04985	2.2
67.05491	3.6
69.07049	4.3
69.18886	1.0
71.01233	1.0
79.05489	10.0
81.03427	7.4
81.07050	4.1
83.04982	53.3
91.05482	4.4
93.07051	9.7
94.05195	1.1
95.04972	18.9
95.08614	2.8
97.06527	26.4
98.06866	1.0
98.97572	3.7
99.05555	2.2
105.07040	6.5
107.04924	2.1
107.07958	1.4
107.08602	13.2
108.63782	0.9
116.98643	8.4
117.07014	2.5
119.08585	4.5
121.06503	3.3
121.10138	14.6
123.08051	1.4
124.03442	0.9
125.05993	60.8
126.06322	2.0
128.17880	0.8
130.07779	3.5
134.99666	12.9
135.08087	1.8
135.11708	7.9
142.26849	0.9
145.10114	10.9
153.00685	2.4
158.01210	1.7
163.11182	100.0
164.11516	2.7
165.07072	1.6
166.07791	2.5
181.10075	4.4
181.12227	24.0
182.12608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1587
Annotation	(3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol
Peak:m/z	Relative Intensity
53.03930	1.3
55.01872	4.9
55.05259	1.5
55.05511	20.0
56.96566	15.4
57.03188	1.0
57.03431	7.0
57.07075	20.3
59.04996	2.4
67.05502	19.3
69.03413	4.2
69.07068	13.5
69.53701	1.6
69.54108	7.6
71.04996	10.7
71.08628	2.3
71.95259	2.4
79.05068	2.0
79.05492	25.4
81.03426	1.2
81.06650	1.4
81.07066	16.5
83.04980	51.8
83.08610	4.8
85.06543	7.6
91.05478	7.3
93.06468	1.8
93.07040	21.6
95.04971	6.4
95.08605	15.3
97.06526	18.5
97.10163	1.8
98.96939	2.1
98.97581	34.7
99.08083	4.1
105.07005	3.7
107.08591	21.9
109.06528	2.5
109.10172	4.9
111.04444	1.1
111.08079	10.4
113.09618	2.3
116.98614	56.4
119.08561	2.0
121.06507	1.5
121.10133	17.2
123.04434	1.0
123.08038	1.5
123.11749	1.9
125.06002	8.5
125.08762	2.0
125.09632	34.8
134.99655	100.0
135.11674	2.5
136.00043	1.4
139.11180	19.9
140.00180	4.7
140.11601	1.3
145.10077	2.5
153.00714	28.0
153.05469	1.8
153.07007	1.4
158.01253	16.4
159.01598	1.6
163.11185	14.8
163.14828	3.8
165.06972	1.8
166.07756	2.6
176.02303	4.5
181.02711	1.6
181.04932	1.5
181.06297	1.5
181.10178	3.6
181.12254	5.8
181.15872	46.8
182.00908	1.4
182.08221	1.2
182.16251	2.6
187.16997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Dihydroactinidiolide
Peak:m/z	Relative Intensity
50.01604	0.3
53.03939	0.4
53.80190	0.2
55.01865	0.5
55.05502	0.8
56.96569	2.6
57.03423	0.4
57.07064	1.2
67.05490	0.7
69.03427	0.7
69.07056	0.5
71.22163	0.3
71.22493	0.5
71.95261	0.4
79.05492	5.1
81.07050	1.0
83.04982	1.3
89.78012	0.3
91.05468	4.3
93.07044	18.2
95.04967	1.5
95.08599	0.8
97.06541	2.3
98.96932	0.5
98.97585	9.3
103.05460	0.9
105.07032	14.1
106.07814	0.7
107.08595	14.1
109.06523	0.6
111.08110	0.4
116.98615	11.7
117.07011	0.4
119.08578	4.5
121.10142	100.0
122.10483	2.8
123.08055	4.5
125.05982	1.3
133.07620	1.1
134.01044	0.3
134.99658	10.5
135.08098	0.5
135.11690	11.2
135.12718	0.6
137.18684	0.2
139.07518	1.0
139.11183	1.2
140.00208	0.8
143.16724	0.3
145.10109	1.1
153.00684	2.4
158.01254	1.4
160.91965	0.3
163.11185	4.2
165.07002	1.2
166.07770	2.0
176.02405	0.3
181.10094	2.2
181.12209	2.7
193.05325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.73434	0.7
53.03939	2.5
53.56833	0.6
55.01896	1.2
55.05510	40.7
56.05848	0.9
56.96563	7.2
57.03434	1.2
57.07073	13.0
59.04980	1.1
65.03948	1.3
67.05502	13.9
69.03431	3.0
69.07068	5.0
70.86838	1.8
71.04974	1.8
71.95273	0.9
75.46235	0.7
77.03931	0.8
79.05492	14.0
80.54691	0.7
81.07058	12.9
83.04979	18.1
85.06535	4.9
91.05481	12.0
93.07044	35.0
95.04972	7.2
95.08605	18.2
95.09060	0.4
97.06531	13.8
98.97578	28.1
103.05466	0.9
105.07027	14.9
107.04966	2.1
107.08592	44.0
108.08939	1.0
109.06511	7.8
109.10169	2.1
111.04440	100.0
111.08074	8.6
112.04784	1.5
113.06013	4.5
116.98619	34.4
117.07010	4.2
119.08574	6.1
120.09354	1.5
121.06516	7.1
121.10142	36.7
122.07288	2.0
122.10521	1.3
123.08062	3.1
125.05991	45.3
126.06298	1.2
127.07547	3.5
129.07008	0.9
130.07816	5.3
134.99655	30.2
135.08049	27.4
135.11684	26.8
136.08441	0.9
137.09540	1.2
138.06741	1.9
139.07542	2.8
140.00177	1.9
143.08554	0.8
145.10118	23.0
153.00719	6.5
153.12695	4.6
158.01271	3.1
163.11189	18.5
165.07004	2.6
166.07785	2.8
181.10181	2.8
181.12230	26.6
193.20247	0.8
194.08136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.56048	1.0
51.81097	0.9
53.03939	3.8
55.01856	3.3
55.05509	47.8
56.96566	7.7
57.03414	2.6
57.07076	12.6
59.04978	2.0
65.03934	2.2
65.04799	1.1
67.05175	1.3
67.05507	19.7
68.05820	1.1
69.03426	9.4
69.07069	6.7
71.01349	2.0
71.04977	3.7
71.58744	1.7
71.95262	1.6
72.04485	1.3
79.05489	16.5
81.03399	2.4
81.06596	1.3
81.07057	19.3
83.04977	24.2
83.08586	2.2
85.06532	5.8
91.05479	21.0
93.07041	49.4
95.04966	13.9
95.08606	23.1
97.02884	3.7
97.06528	19.1
97.68048	1.0
98.97588	23.8
100.07645	1.1
103.05455	2.8
105.04519	1.0
105.07026	18.3
107.04934	4.8
107.08591	50.4
109.06518	10.4
109.10139	4.2
111.04436	100.0
111.08076	13.9
111.52102	1.0
111.70972	1.1
112.04811	1.5
113.06023	8.8
113.71263	1.0
115.05477	1.8
116.98614	32.9
117.07027	7.4
119.08567	6.6
121.06506	9.7
121.10146	14.7
122.02387	28.3
122.07283	2.9
123.04410	4.7
123.08118	5.1
125.05991	63.8
125.09605	1.8
127.07560	3.7
130.07782	4.6
134.99654	47.4
135.04407	1.7
135.08047	32.8
135.11690	34.7
136.12035	2.1
137.05920	1.6
137.13303	1.7
138.06747	4.2
138.81334	0.9
139.07515	3.9
139.11188	1.1
140.00160	3.5
143.08443	1.3
145.10114	27.5
153.00728	12.6
153.12727	6.4
158.01283	6.4
163.07545	5.5
163.11180	29.8
165.06998	1.9
166.07719	4.1
181.04922	4.4
181.06384	1.4
181.08862	8.4
181.10187	5.0
181.12224	64.8
182.12534	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
51.54194	0.7
52.98161	0.9
53.03936	3.7
55.01864	2.1
55.05272	0.8
55.05510	14.7
56.96569	11.7
57.03416	2.8
57.07069	5.3
59.04960	0.8
65.03922	3.8
65.16304	0.8
67.05172	1.2
67.05503	17.9
69.03418	4.1
69.07071	5.6
70.25582	2.3
71.04973	2.5
71.95241	1.9
77.03915	1.1
78.04684	1.0
79.05489	15.1
81.03408	1.3
81.06644	1.0
81.07059	11.7
83.04973	10.8
83.08607	2.0
84.08115	1.0
85.02902	1.2
85.06522	2.4
91.05477	22.4
93.03413	1.1
93.07040	48.3
95.04955	13.9
95.08599	22.0
97.02883	2.7
97.06528	20.6
97.83706	0.8
98.97574	33.4
100.44011	0.9
103.05442	3.3
105.07024	10.3
107.04941	3.8
107.08589	32.0
108.08907	0.8
109.02814	1.1
109.06519	7.4
109.10136	3.5
110.07297	1.2
110.58996	0.8
111.04439	23.4
111.08077	10.8
113.06013	2.4
115.05448	1.2
116.98615	47.2
117.07000	3.2
119.08563	4.8
121.06506	13.5
121.08431	1.1
121.10136	18.7
122.02406	6.4
122.07300	2.0
123.04424	2.3
123.05521	1.0
123.08054	2.5
125.05987	90.4
125.09624	1.4
127.07565	1.0
129.06937	0.9
130.07770	1.8
134.99655	66.9
135.04381	1.2
135.08060	13.5
135.10692	1.6
135.11682	28.1
136.07555	1.1
137.05948	1.9
137.89320	0.8
138.06750	12.7
139.07529	4.3
139.11131	1.1
140.00201	2.2
142.02649	0.9
145.10120	16.2
146.10443	0.8
148.05197	1.7
149.06007	4.3
151.07585	1.1
153.00693	18.1
153.06987	1.5
153.09036	1.2
153.12746	6.6
158.01260	7.4
163.03938	1.4
163.07611	1.9
163.11180	20.9
165.07024	1.4
166.07777	3.1
176.02350	2.1
181.04933	4.0
181.06465	2.2
181.08620	4.6
181.12221	100.0
182.12578	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03946	6.4
55.01853	4.7
55.05506	45.4
56.96556	11.3
57.03431	1.9
57.07069	12.3
59.04997	2.1
59.78688	1.3
61.32771	1.2
65.03934	9.6
67.05176	1.9
67.05502	26.1
69.03407	5.9
69.07075	10.2
70.60141	4.2
71.01342	1.8
71.04974	5.6
71.95261	2.2
72.04490	1.3
72.08113	1.7
73.33360	1.3
75.04465	1.2
79.05055	2.1
79.05482	24.2
81.03381	3.2
81.07052	20.5
82.04181	1.3
83.04557	1.8
83.04982	21.9
83.08600	3.6
84.08128	1.6
85.02882	3.6
85.06544	7.2
91.04902	2.5
91.05475	41.6
93.03393	3.2
93.07037	69.2
95.04964	26.4
95.08596	33.8
97.06527	32.1
98.97573	33.5
102.96248	1.3
103.05462	11.3
105.04484	2.3
105.07027	18.6
106.04160	4.0
107.04940	5.9
107.07865	2.7
107.08585	57.2
109.06516	12.8
109.10158	6.6
111.04430	92.6
111.08076	16.0
112.04699	1.3
113.05967	5.9
116.98612	46.6
117.07018	6.8
119.08581	8.3
120.05638	1.6
121.05646	2.3
121.06491	28.6
121.10135	20.3
122.02323	1.2
122.07240	4.6
123.04405	4.9
123.08086	6.7
125.05981	100.0
125.09615	2.1
127.07514	3.2
130.07762	6.2
134.03603	2.2
134.99644	59.6
135.04433	3.4
135.08044	33.0
135.11674	44.6
136.07520	1.5
137.02313	2.5
137.05960	4.6
138.06734	14.2
139.03865	1.5
139.07494	4.9
139.11087	1.9
140.00186	1.9
141.01808	1.3
143.08524	1.9
145.10115	32.6
148.05159	5.0
149.05959	10.0
151.03859	1.6
153.00679	13.2
153.06938	2.8
153.09094	2.6
153.12762	10.0
158.01213	5.3
163.03864	2.7
163.07544	2.1
163.11156	37.8
164.11461	1.4
164.88277	1.7
166.06259	2.4
166.07767	2.8
171.06503	2.2
181.01256	1.2
181.04999	13.1
181.06474	3.3
181.08705	15.5
181.12215	88.1
182.00961	1.5
182.12592	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03947	9.6
53.86555	1.2
55.01867	6.4
55.05511	45.0
56.96569	10.7
57.03431	1.9
57.07072	13.0
58.49458	1.1
59.04987	1.9
63.19017	1.4
64.08361	1.4
65.03932	9.3
65.51747	1.3
67.05177	1.6
67.05503	27.7
69.03402	4.8
69.07073	11.9
69.45380	12.4
71.01341	1.4
71.04968	4.0
71.52453	1.2
75.04462	2.7
77.03916	1.4
78.04721	1.7
79.05064	1.8
79.05489	24.2
81.03391	2.1
81.07049	19.4
82.04179	1.9
82.07372	1.2
83.04977	23.7
83.08604	3.1
84.08121	2.0
85.02920	2.5
85.06536	6.6
91.05480	36.4
93.03393	3.2
93.07040	62.7
95.04968	24.4
95.08069	1.2
95.08603	33.2
97.02888	2.9
97.06522	28.2
98.97585	26.8
103.05463	10.9
105.04472	1.6
105.07030	16.7
106.04151	3.8
107.04984	7.4
107.08591	54.0
108.08885	1.3
109.06507	13.7
109.10139	5.2
110.03637	2.6
111.04438	87.2
111.08080	14.4
113.05984	6.0
116.98614	41.0
116.99451	2.3
117.07022	7.6
119.06039	1.2
119.08595	7.0
121.06502	33.0
121.10140	18.0
122.02373	2.2
122.07277	4.4
123.04408	3.3
123.08054	4.0
125.05988	100.0
125.09603	3.0
126.06340	2.4
127.07605	2.5
129.06943	1.3
130.07741	5.4
130.09926	1.2
134.03569	1.7
134.99649	40.7
135.04408	3.2
135.08058	33.2
135.09100	1.8
135.10687	2.5
135.11688	44.3
137.05986	4.6
137.09505	2.0
138.06737	11.8
139.07532	5.7
140.08168	1.6
145.10118	29.5
148.05183	6.1
149.04950	1.4
149.06009	14.3
153.00697	8.2
153.09113	3.4
153.12738	9.1
158.01239	4.4
163.03922	2.2
163.11183	34.1
164.60811	1.2
166.06360	2.3
166.07735	2.3
171.06476	1.7
181.05064	8.3
181.06438	3.0
181.08675	15.2
181.12230	94.0
182.12599	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.79874	0.5
53.03937	1.6
55.01854	1.7
55.05503	3.0
56.96565	1.1
57.07059	2.0
59.04736	0.6
59.04995	5.7
63.78388	0.6
65.03921	0.7
66.80130	0.6
67.05506	5.8
69.03418	3.2
69.07066	5.6
69.56668	4.1
71.04984	0.5
73.02919	0.7
75.35575	0.5
79.05496	10.7
81.03419	1.2
81.07053	11.5
83.04966	1.8
83.08608	1.5
85.02882	0.7
87.04453	1.1
91.05473	6.2
93.07043	25.8
93.07632	1.4
95.04951	3.4
95.08604	20.0
96.05772	0.6
96.08936	0.7
97.02892	0.7
97.06543	4.1
98.20693	1.2
98.97582	4.1
105.07041	5.1
107.04939	2.0
107.08592	46.2
108.08927	1.3
109.06509	1.6
109.10150	3.1
111.04435	2.3
111.08085	1.9
116.98633	5.1
117.06995	2.1
119.06098	0.6
119.08585	5.0
121.06505	7.0
121.10146	24.4
121.11040	1.2
122.02386	2.2
122.10420	1.1
123.04422	1.0
123.08060	5.0
125.06018	4.4
130.07790	1.4
133.86909	0.6
134.99677	5.9
135.08076	3.0
135.11687	56.7
136.12009	1.8
137.09576	0.9
137.13260	1.6
139.07536	10.8
145.10120	15.1
145.11868	0.7
153.00731	1.3
153.12706	2.1
154.37651	0.5
163.07503	0.9
163.11183	36.7
164.11545	1.2
165.07002	0.8
166.07755	1.1
181.12228	100.0
182.12578	3.8
203.09891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	80638-48-8
Peak:m/z	Relative Intensity
50.15394	0.3
51.02381	0.5
53.03939	2.1
55.01878	1.4
55.05494	1.7
56.96563	1.2
57.03439	0.8
57.07071	3.8
59.04992	0.8
59.06116	0.4
62.25021	0.3
65.03931	3.9
66.04707	0.7
67.01850	0.4
67.05504	3.0
68.05840	0.3
68.99802	0.5
69.03431	0.8
69.07064	1.4
70.13319	0.3
70.26267	0.9
70.26657	0.6
71.04978	0.4
75.04467	0.4
75.53602	0.3
77.03925	0.7
78.04706	3.5
79.05487	6.9
80.06275	0.8
81.03416	3.2
81.04539	0.3
81.07046	2.7
82.04184	0.5
83.04976	10.4
83.05458	0.7
83.06094	0.3
83.08624	0.9
84.08144	0.6
85.02872	0.7
85.06535	0.5
89.03910	2.9
90.04683	2.6
91.05474	17.4
92.02631	0.4
92.06253	1.1
93.03406	2.1
93.07037	9.7
93.07623	0.5
94.04205	0.5
95.04959	11.6
95.08607	1.3
96.05677	0.3
97.02869	0.7
97.06528	5.9
97.07625	0.3
98.97581	2.9
100.07601	0.3
103.05457	4.8
105.03371	1.5
105.04518	1.0
105.07011	1.7
106.04174	3.1
107.04948	7.5
107.08588	5.4
108.05740	2.2
109.02850	0.4
109.06525	4.1
109.07602	0.4
109.10157	0.5
110.03671	0.6
110.07273	1.0
111.04430	0.8
111.08057	0.7
116.98619	4.5
117.07023	0.9
118.04164	0.9
119.04948	1.0
119.08581	1.6
120.02112	0.7
120.05698	1.4
121.02883	1.3
121.06497	12.1
121.07381	0.6
121.10133	5.9
122.03683	2.0
122.07241	1.0
123.04425	6.1
123.05379	0.6
123.08047	1.3
125.05982	12.5
130.07774	1.0
134.03613	1.2
134.99632	6.3
135.04456	2.0
135.08055	1.0
135.11688	2.6
136.05193	2.9
136.07567	0.3
136.08647	0.4
137.02386	0.4
137.05966	17.9
138.03113	1.8
138.06767	6.6
139.07539	0.8
140.00217	0.4
140.28618	0.3
145.02812	0.4
145.10115	3.2
148.05180	56.7
149.05983	6.3
151.03891	7.3
151.07460	0.5
152.06180	0.3
153.00735	1.4
153.05492	0.4
153.07042	0.3
153.09039	1.4
158.01257	0.5
163.03917	0.4
163.07523	0.7
163.11166	20.5
165.05476	2.6
165.06795	0.6
166.02615	1.0
166.06264	2.3
166.07629	0.5
167.03418	0.8
167.07002	0.7
171.06461	0.5
181.05217	4.4
181.08582	100.0
182.09001	2.6
184.03632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
53.84032	0.1
55.01865	0.2
56.96566	0.8
59.48779	0.1
65.03933	0.2
67.05503	0.2
67.16639	0.1
69.03426	0.3
70.97739	0.4
72.04509	0.2
77.03885	0.2
79.05477	0.4
81.03411	0.2
81.07056	0.2
83.04964	0.2
84.04491	0.3
91.05473	1.6
93.07038	2.7
93.75607	0.1
95.04956	0.6
95.08599	0.2
97.02879	0.1
97.06534	0.1
98.06025	0.1
98.97577	1.1
103.05464	8.8
104.05766	0.3
105.07037	0.2
107.08599	0.3
108.04499	0.2
109.06493	0.2
116.98611	1.4
117.07020	0.1
118.06556	0.1
119.07323	0.2
120.08099	100.0
121.06498	6.0
121.08424	2.9
121.10155	0.2
123.04453	0.1
124.05175	0.2
125.06047	0.2
131.04935	1.0
134.06013	0.2
134.99648	1.8
135.08060	0.7
137.06001	0.2
139.03860	0.2
149.05956	0.2
153.00723	0.5
153.06946	0.2
158.01218	0.2
162.50444	0.1
163.07521	0.5
163.11188	0.2
165.06920	0.2
175.02773	0.3
179.30399	0.1
180.10191	1.3
180.13855	0.2
181.04930	0.2
181.08589	0.4
193.03850	0.3
197.83023	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	180.088
Annotation	D-(+)-Glucosamine hydrochloride
Peak:m/z	Relative Intensity
51.31472	0.2
55.02980	1.0
56.05036	0.5
56.96550	0.7
58.99575	0.3
66.43370	0.2
69.03403	0.3
70.06587	0.4
70.70534	0.4
70.70886	0.5
71.04998	0.3
71.06112	3.2
76.02208	0.8
77.02553	0.4
78.01808	0.5
79.05479	0.8
80.04995	0.3
82.04070	1.3
82.06554	0.3
83.02456	0.4
84.08121	0.3
85.02874	0.4
91.05479	0.7
92.05799	0.3
93.87271	0.2
94.04089	0.3
95.04916	0.4
95.06078	0.5
97.02895	0.3
98.20737	0.2
98.97596	0.5
106.06540	0.7
107.04947	0.5
108.04450	0.8
108.05585	0.3
110.03527	22.8
110.07173	0.5
111.03812	0.2
112.55711	0.3
116.98602	0.4
119.04914	0.7
120.05282	0.5
122.05898	0.9
125.03445	0.6
128.04555	3.1
134.06041	1.1
135.03026	3.7
135.06706	0.8
137.04605	0.6
137.05975	1.4
137.08223	6.7
138.02870	0.3
138.06615	0.5
147.05373	0.6
148.04761	0.5
149.04561	0.5
151.06085	0.4
152.07060	0.5
153.04074	11.4
154.02470	0.3
154.25111	0.3
162.05553	0.3
162.07751	2.9
162.09004	0.4
165.06451	2.0
165.09013	0.5
178.07275	0.6
180.08800	100.0
181.05006	0.3
181.07422	1.1
181.09169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03942	4.4
55.01875	9.0
55.05510	31.9
55.25802	0.6
57.03438	3.6
57.07084	1.5
59.04976	1.0
62.08887	0.6
65.03945	4.1
67.05504	100.0
68.05832	1.1
69.03434	1.6
69.07067	13.9
70.98726	1.5
71.04981	3.1
73.06557	1.4
77.03946	0.6
79.05492	63.0
80.05828	0.8
81.02928	0.7
81.03416	24.8
81.07055	87.6
82.07388	2.1
83.04979	31.6
83.08614	12.4
85.06544	2.2
91.05480	49.1
92.05807	1.3
93.07042	42.7
94.07405	0.9
95.04969	12.9
95.08604	64.6
96.08910	1.1
97.06528	29.2
97.10150	3.1
99.08093	2.7
105.04514	1.4
105.07027	26.3
107.08597	10.1
109.06528	7.0
109.10152	12.9
111.08080	8.8
113.09648	6.0
117.07025	2.1
119.04926	1.3
119.08581	30.1
119.59832	0.7
121.10121	5.1
123.04445	1.5
123.08089	5.0
131.08594	1.0
133.02855	1.9
133.10126	18.1
134.10414	0.8
135.11685	8.0
137.09630	2.2
140.00117	0.7
147.04420	1.4
151.03961	0.7
151.11200	0.9
157.35872	0.6
159.11726	1.2
161.05988	1.0
161.13254	12.3
179.03345	5.5
179.06421	1.4
179.10718	1.9
179.14307	33.9
180.14551	0.9
191.68015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.63044	1.3
53.03944	3.7
55.01860	5.8
55.05505	21.8
56.40426	1.4
57.03432	6.5
57.07069	6.5
59.04994	1.8
60.73575	1.4
65.03941	3.8
67.05501	89.4
68.51478	1.2
69.03424	14.7
69.06717	1.9
69.07063	15.0
69.31745	7.7
69.32167	5.6
71.04999	10.4
79.05484	22.9
81.03411	8.3
81.07052	53.7
83.04974	6.1
83.08607	3.3
85.06538	2.1
90.03306	1.4
91.05478	27.3
93.07036	30.8
95.04967	20.0
95.08599	100.0
97.06499	2.6
105.03410	2.4
105.07019	21.2
106.07359	1.4
107.04933	2.5
107.08592	15.9
109.06512	15.2
109.10149	52.0
111.08085	3.2
117.03345	1.3
117.07063	2.7
119.04932	5.3
119.08568	22.3
121.06480	2.2
121.10148	5.0
123.04416	9.2
123.08052	20.1
123.11716	2.1
131.08569	1.4
133.02844	9.0
133.06465	2.8
133.10115	13.7
135.04405	2.8
135.11690	4.1
137.06046	1.3
137.09602	30.7
137.13200	3.2
147.04407	6.0
151.03925	2.7
151.11136	3.4
151.14796	9.3
152.07034	1.9
159.33504	1.3
161.05962	4.4
161.09616	4.8
161.13237	8.0
179.03354	27.6
179.06430	4.4
179.10751	9.9
179.14307	67.8
180.14731	1.6
184.62267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03933	4.3
53.62784	1.1
55.01872	6.7
55.05508	32.1
56.96552	4.7
57.03437	14.5
57.07075	6.3
59.04988	3.6
62.74346	1.2
65.03924	3.4
67.05502	66.6
69.03429	7.7
69.07063	45.0
71.04990	9.2
76.02216	2.9
77.03948	1.7
79.05491	36.6
81.03429	9.4
81.07054	64.9
82.00457	1.1
83.04974	12.6
83.08604	4.8
85.06517	3.5
91.05482	29.0
93.07040	33.6
95.04961	20.2
95.08604	100.0
96.08897	2.8
97.06512	4.6
98.21617	2.1
103.05428	2.1
105.03341	2.3
105.07027	34.6
107.08589	29.9
109.06516	21.2
109.10152	44.8
111.08057	7.1
113.38653	1.1
115.83499	1.2
117.07005	3.4
119.04903	3.7
119.08570	37.5
121.10123	12.1
123.04463	8.2
123.08057	39.2
123.11694	3.8
133.02852	6.8
133.10124	19.9
135.08066	2.4
135.11707	8.1
136.08812	1.7
137.09612	23.2
137.13182	3.1
147.04385	4.1
149.13240	1.4
151.03922	2.7
151.06976	1.4
151.11169	4.1
151.14813	8.5
161.05972	2.4
161.09639	2.8
161.13257	24.7
162.13524	2.0
179.03394	20.2
179.06483	4.1
179.10680	4.6
179.14297	52.8
180.14627	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03945	4.9
55.01863	7.8
55.05508	30.1
57.03436	2.3
57.07085	1.2
62.35267	0.7
65.03929	4.4
67.05502	100.0
67.22208	0.7
68.05032	1.9
68.05846	1.8
69.03426	1.9
69.07065	14.5
69.72540	1.3
69.72955	3.4
70.52392	0.8
71.04998	2.0
73.06529	1.0
77.03926	0.9
79.05013	1.2
79.05491	60.2
81.03416	22.8
81.07054	85.5
82.07403	1.1
83.04480	1.6
83.04978	32.1
83.08616	11.8
85.06535	2.3
91.05479	50.2
93.07040	39.8
94.07412	0.9
95.04967	15.5
95.06083	5.6
95.08602	61.5
96.05715	0.9
96.08924	1.1
97.03965	0.9
97.06522	27.0
97.09592	0.8
97.10175	2.7
98.21484	1.5
99.08089	2.3
103.05445	1.6
105.04504	0.9
105.07027	26.3
107.08585	9.0
109.06499	7.8
109.10147	11.2
110.07103	1.1
111.08073	10.2
113.09635	6.6
117.07014	2.7
119.04966	2.0
119.08578	28.0
120.05591	1.5
121.10130	4.0
123.04433	2.5
123.08080	4.3
123.11690	0.8
131.08533	1.9
133.02829	2.5
133.06467	1.6
133.10132	19.5
135.11674	6.8
137.08214	11.3
137.09595	2.1
144.40950	0.7
147.04402	2.6
151.03909	1.3
161.05922	1.2
161.09669	1.4
161.11948	1.3
161.13249	10.5
179.03372	9.2
179.06728	1.6
179.09317	1.4
179.10690	3.1
179.12741	1.7
179.14307	34.4
180.14711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03941	2.9
55.01868	5.2
55.05513	10.5
57.03435	7.1
57.07063	3.0
59.04992	0.9
65.03927	2.4
67.05505	46.5
68.05836	1.3
69.03436	4.3
69.07069	10.6
71.05003	4.4
71.33398	1.8
71.84871	0.8
76.02223	1.8
77.03928	1.5
79.05495	34.8
81.03413	2.3
81.07059	100.0
82.07368	1.0
83.04986	8.3
83.08614	5.5
85.06537	11.3
91.05480	40.1
92.05813	1.3
93.07044	39.3
94.07408	1.1
95.04965	7.7
95.08605	70.4
96.08942	2.0
96.64230	0.8
97.05920	1.2
97.06535	19.8
99.08097	9.7
105.03381	1.3
105.04507	0.9
105.07030	44.6
106.07345	1.7
107.08598	19.4
109.06503	9.2
109.10177	7.0
111.08072	7.2
115.05473	0.9
117.07037	3.0
119.04955	5.7
119.08582	57.2
120.08862	1.0
120.22231	0.9
121.06453	1.1
121.09332	1.0
121.10149	15.7
123.04436	4.8
123.08071	13.7
123.11644	1.4
131.08572	1.7
133.02792	2.4
133.06503	2.5
133.10129	38.3
134.05969	1.1
134.10416	1.1
135.04388	1.1
135.11696	31.6
136.05219	1.0
136.12183	0.8
137.05981	1.4
137.09624	4.5
137.13252	1.0
146.03502	1.2
147.04416	7.7
150.10316	1.0
151.03918	1.2
151.07532	1.7
151.11131	2.4
161.05963	3.2
161.09618	2.7
161.13254	74.8
162.09181	1.0
162.13585	2.1
179.03400	11.7
179.06886	3.3
179.08443	1.8
179.10703	3.8
179.14313	72.6
180.14644	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02371	1.2
53.03947	5.4
55.01869	7.3
55.05510	32.0
57.03419	3.2
57.07061	2.3
59.04985	0.9
63.27331	0.8
65.03923	3.5
67.05503	100.0
68.05835	1.9
69.03400	2.1
69.07065	15.9
71.04975	3.2
71.05606	0.8
71.57958	1.3
72.82206	0.9
75.43839	0.7
79.05492	63.7
80.05830	1.5
80.10265	0.8
81.03418	20.2
81.07053	87.8
82.07381	2.3
83.04982	36.0
83.08617	15.3
85.06555	3.9
88.50821	0.7
91.05480	60.9
93.07040	43.1
94.07393	0.9
95.04964	13.0
95.08604	70.4
96.08954	1.3
97.05914	1.8
97.06527	32.8
97.10168	2.6
98.06873	0.8
99.08069	2.9
103.05444	1.0
105.03384	1.0
105.04488	1.4
105.07027	31.6
106.07347	0.8
107.08598	12.8
109.06525	7.5
109.10163	10.2
110.10485	1.3
111.08079	10.1
113.09656	6.1
117.07011	2.9
119.04913	2.5
119.08581	30.3
121.10136	5.1
123.04420	6.3
123.08076	4.4
129.64085	0.9
131.08557	1.8
133.02864	4.3
133.06487	1.3
133.10127	19.6
135.11674	7.8
137.09601	2.6
147.04428	2.6
151.03929	1.7
151.11211	1.6
161.05966	1.7
161.09608	1.3
161.13264	18.3
167.19774	0.9
179.03371	13.5
179.06488	2.9
179.10654	2.3
179.14310	44.4
180.06631	1.2
180.14677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
51.02362	0.6
53.03951	3.9
55.01873	2.4
55.05493	1.0
57.03437	14.9
58.99568	0.4
59.05001	0.6
64.15922	0.3
64.45639	0.3
65.03937	0.9
67.05503	1.8
67.66453	0.3
68.05013	0.6
69.03416	0.6
69.07053	0.8
70.06589	0.3
70.60123	0.4
76.02219	1.3
76.08035	0.3
77.03930	1.3
79.05491	22.4
80.05846	0.3
81.07059	2.2
83.04978	0.7
83.06108	0.6
89.03908	1.4
90.04214	0.5
91.04592	0.6
91.04975	0.5
91.05487	8.9
93.07039	3.9
95.04969	12.9
95.06071	1.3
95.08609	1.5
103.05470	0.6
105.03390	100.0
105.07021	7.2
106.03725	2.1
107.04940	1.2
107.08582	6.1
107.09280	0.5
109.02828	0.4
109.06509	1.4
109.10153	1.6
112.49450	0.3
115.05418	0.5
116.01662	0.5
117.03378	0.8
119.04091	0.7
119.04936	5.7
119.08565	2.3
120.05562	0.6
121.02852	0.4
121.06503	1.2
121.10150	0.6
123.04426	16.7
123.08067	1.2
123.11698	0.5
124.04801	0.5
131.08553	0.8
133.02873	2.5
133.06490	1.3
133.10124	14.4
134.07085	0.4
134.10471	0.6
135.04454	0.8
135.08090	0.5
135.11670	0.8
136.04108	0.3
136.05203	0.9
137.05994	1.4
137.08235	1.3
137.09598	1.0
138.06618	0.5
145.02846	0.6
146.03612	0.4
146.07277	0.5
147.03363	1.2
147.04420	5.2
149.02365	1.4
151.03926	1.3
151.07565	1.1
151.11240	0.9
152.08195	0.5
152.11876	0.3
159.69432	0.3
161.02292	0.4
161.05997	1.7
161.08276	0.6
161.09607	3.9
161.13264	0.7
164.04620	0.6
178.45815	0.3
179.03409	7.4
179.07068	13.0
179.10645	12.0
179.14290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
50.01601	0.4
51.02375	0.7
53.03938	1.0
54.03472	0.7
54.96026	0.4
55.01869	2.9
55.02960	0.4
55.05500	0.8
56.05026	1.3
56.96560	2.6
57.03424	0.3
57.07067	0.8
57.98808	0.5
58.06582	0.6
58.45300	0.3
58.99583	21.3
59.05008	0.4
59.06118	0.4
59.99914	0.4
60.04525	0.5
65.03929	4.0
67.05503	3.2
68.05027	2.2
68.65644	0.3
68.99799	0.8
69.03438	0.9
69.04547	1.5
69.07056	0.7
70.06590	1.4
71.06100	0.6
71.57262	0.5
72.04482	0.4
72.08156	0.6
76.02223	60.8
76.03994	2.0
77.02543	0.7
77.03940	0.8
77.25686	0.4
79.05485	6.0
80.05004	1.0
80.06292	0.5
81.03421	0.9
81.04544	1.5
81.07049	2.8
82.06588	0.4
83.05002	0.7
83.06110	2.7
84.04524	0.8
84.08134	1.7
85.02879	0.4
86.09733	0.3
86.99049	5.1
88.02211	1.9
89.03899	0.9
91.05476	59.7
92.05809	1.9
93.03413	0.4
93.04512	0.6
93.07054	2.0
94.04134	0.8
94.06570	1.0
95.04972	5.3
95.06085	4.8
95.08601	1.8
96.04485	0.4
96.06907	0.4
96.08105	0.5
97.02905	0.5
97.04023	0.5
97.07617	0.5
98.07200	0.5
99.05562	0.5
100.07522	0.4
103.05473	1.0
105.03394	1.9
105.04523	0.8
105.07030	5.6
106.06572	4.1
106.99636	0.6
107.04944	2.8
107.06067	0.9
107.08596	1.0
108.04469	1.4
108.05657	1.9
109.02872	0.4
109.06544	1.7
109.07643	0.7
109.10143	0.8
110.03511	2.1
110.06001	0.9
110.07160	2.3
111.05557	0.6
111.08017	0.3
114.05367	0.4
115.05461	0.8
116.01671	14.9
116.10764	0.5
116.98647	0.4
117.07024	0.6
118.04165	1.0
118.06514	0.5
119.04935	100.0
119.08574	1.2
120.01948	0.6
120.05286	2.6
121.04031	0.5
121.06480	1.2
121.10145	0.5
122.03639	0.9
122.07138	0.8
123.04424	5.0
123.05486	0.8
123.08042	1.2
123.09181	1.1
123.11726	0.5
124.05030	0.5
125.03461	1.4
130.06604	0.6
133.02852	3.4
133.06473	3.6
133.07571	1.3
133.08492	0.6
133.10130	3.1
134.06033	7.1
134.07085	1.6
134.09615	0.5
134.99629	0.7
135.04398	1.2
135.06662	1.8
135.08067	0.6
135.09108	0.5
136.05220	2.3
136.07547	0.5
136.08643	0.4
137.05981	14.3
137.06993	0.5
137.08211	9.0
137.09541	0.9
138.05475	1.4
138.06607	1.4
139.06299	0.5
139.07446	1.0
144.01141	4.2
146.03604	1.1
147.04401	97.8
148.04762	2.2
149.04597	1.0
150.06686	0.5
151.03952	2.6
151.06155	1.3
151.07524	5.6
151.08672	1.0
151.11128	1.0
151.94044	0.4
152.05742	0.5
152.07022	0.8
152.08144	1.8
153.04056	0.9
153.05396	0.5
155.96404	0.4
161.02316	0.5
161.05972	3.4
161.07086	0.7
161.08257	0.8
161.09621	1.7
161.13290	0.5
162.02162	5.1
162.05420	0.7
162.06621	0.8
162.07796	0.6
162.09030	0.8
163.07516	0.9
164.04698	4.2
165.05396	0.5
173.97391	0.4
174.00729	1.7
179.03395	11.4
179.05672	3.0
179.07013	25.1
179.09335	1.6
179.10670	3.4
179.12076	0.4
179.12840	0.5
179.14267	1.1
180.06517	1.7
180.08798	15.5
180.10114	0.6
181.07198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11028	0.3
51.02379	0.2
53.03934	0.4
55.01871	1.4
55.02989	0.6
55.05503	0.4
56.05035	0.9
56.96325	0.4
56.96569	4.0
57.03444	0.6
57.07073	0.6
57.98804	1.0
58.14855	0.3
58.99588	34.1
59.99921	0.4
60.04525	0.5
61.01151	0.4
61.02917	0.3
65.03941	1.1
67.05516	1.8
68.05029	1.9
69.03413	0.8
69.04547	0.9
69.07034	0.4
69.59323	2.2
70.06591	1.3
71.06128	0.8
72.08164	0.5
73.01131	0.7
73.02918	0.4
76.02230	100.0
76.03988	4.0
77.02566	1.0
77.03936	0.4
79.05479	1.6
80.05020	0.9
81.03432	1.2
81.04549	0.7
81.07058	1.8
82.06590	0.6
83.04961	0.3
83.06091	1.8
84.04476	0.7
84.08155	1.5
84.96042	0.3
85.02898	0.5
86.99055	7.1
88.02221	3.2
89.03931	0.3
90.97980	0.3
91.05484	9.9
93.04567	0.4
93.07049	0.8
94.06598	0.4
95.04978	2.8
95.06091	3.3
95.08607	1.4
96.04475	0.6
96.05657	0.3
97.02897	0.4
97.04071	0.3
97.06499	0.4
97.07677	0.3
98.20766	0.4
98.97604	0.8
100.02205	0.4
103.05467	0.3
105.03416	1.6
105.07040	3.1
106.06578	0.6
106.99713	0.4
107.04948	0.7
107.06076	0.4
107.08614	0.6
108.04469	0.8
108.05671	0.7
109.02914	0.7
109.06501	0.8
109.07664	0.4
109.10165	0.8
110.03532	5.1
110.06069	0.4
110.07186	1.1
111.05610	0.6
111.08028	0.3
116.01681	23.8
116.98659	1.3
117.11090	0.9
119.04943	11.4
119.08598	0.9
120.05626	0.8
121.02888	0.5
121.06485	0.8
121.95837	0.5
122.07161	0.6
123.04443	2.8
123.05515	0.6
123.08062	0.7
127.03911	0.4
128.04594	1.0
130.06548	0.3
132.08107	0.6
133.02872	2.2
133.06517	1.3
133.07550	0.3
133.10167	1.8
134.06026	1.0
134.07158	0.9
134.99654	1.1
135.03018	0.8
135.04419	0.8
135.05501	0.4
135.11732	0.3
136.05220	0.6
137.02356	2.3
137.06012	2.0
137.08212	7.3
137.09695	0.5
138.02704	1.5
138.06670	0.7
139.02931	0.3
139.07457	0.7
139.96866	0.3
144.01151	7.7
146.03748	0.3
146.99652	0.9
147.03235	0.7
147.04414	11.4
151.03935	2.4
151.06387	0.3
151.07590	1.6
151.08632	0.4
151.11195	0.7
152.07048	0.8
152.08238	0.9
153.00702	0.3
153.04076	3.4
155.96393	1.2
161.02364	0.5
161.05951	1.6
161.07147	0.3
161.08342	0.4
161.09619	1.3
161.13266	0.3
162.02200	7.4
162.03438	0.5
162.06616	0.3
162.07756	0.8
162.09068	0.3
163.07584	0.7
164.04707	0.5
165.06497	0.5
173.97414	0.9
174.00786	1.3
179.03406	9.2
179.04733	0.5
179.07013	3.6
179.08047	0.3
179.09344	1.3
179.10707	1.8
179.14243	0.4
180.03802	0.9
180.08812	28.4
181.07257	0.3
192.01802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26970	1.1
56.96300	1.8
56.96564	20.7
57.07056	3.8
58.99914	1.2
59.30545	1.1
68.05029	3.3
69.04502	1.5
69.07044	1.3
69.95628	5.7
81.04576	1.7
81.07040	1.8
82.01438	1.7
83.06075	1.6
84.08139	1.7
91.05486	1.9
95.06094	6.5
98.21426	2.0
98.97569	4.3
100.02490	13.8
101.00870	4.0
103.02412	2.1
105.07035	1.8
112.00265	1.4
115.02405	3.0
116.98614	5.2
118.03531	12.4
118.98267	1.5
119.01918	40.1
119.04920	1.8
120.02048	1.6
120.05566	2.0
121.01656	1.7
123.04398	1.5
123.08047	1.4
131.01917	3.0
133.03522	11.5
133.10144	2.3
134.02992	5.5
134.99620	6.2
137.02943	18.2
137.08232	11.3
138.96399	3.5
142.03491	2.1
145.03375	1.3
147.04337	1.9
148.01387	1.6
149.06653	1.7
151.04512	5.9
152.04057	1.8
153.00751	1.9
154.94160	2.1
155.99683	4.4
156.05048	7.7
156.97479	66.4
157.03419	1.8
157.04579	2.8
160.56400	1.4
161.02893	6.1
161.09615	1.7
161.97885	1.8
172.95207	5.0
173.02936	1.9
174.00792	9.6
174.03081	2.5
174.06183	2.2
174.98535	100.0
175.04501	2.0
179.04022	9.5
179.06618	1.8
179.09262	2.1
179.10686	2.9
179.99075	54.6
180.00677	2.6
190.96263	3.5
192.01828	2.1
197.02844	1.5
198.00130	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	178.1227
Annotation	Valerianine
Peak:m/z	Relative Intensity
53.03941	1.0
55.01870	1.0
55.05510	0.8
56.05037	0.6
56.96567	5.3
57.03431	0.8
65.03938	0.9
65.54423	0.4
67.05508	1.7
68.05026	1.5
69.03431	1.1
69.04562	0.8
69.07063	0.6
70.06587	0.7
70.29291	1.8
73.02924	0.8
77.03933	0.7
79.05506	2.3
80.05010	1.1
81.03423	1.2
81.04532	0.7
81.07056	1.1
83.06104	1.5
83.08606	0.4
84.08127	0.6
85.02900	0.8
88.02224	0.9
89.03931	0.9
90.04263	1.2
91.05486	6.9
92.05000	0.6
92.05827	0.6
93.04523	0.7
93.05773	0.6
93.07042	1.7
94.06564	1.4
95.04968	2.6
95.06078	3.6
95.08604	0.8
97.02905	0.7
97.07697	0.5
98.07172	0.5
98.97558	0.6
98.98466	1.1
103.05477	0.4
104.04985	1.6
105.00066	0.5
105.03398	1.7
105.07030	3.1
106.06562	0.9
107.04940	1.5
107.06013	0.6
107.08611	1.6
108.04484	0.9
109.02886	1.0
109.06507	0.9
110.07163	1.5
111.05561	0.5
115.05465	0.9
116.98617	0.8
117.03374	0.6
117.07013	2.6
118.03723	1.9
118.06533	11.6
118.49935	0.4
118.96764	3.0
119.04939	3.3
119.07327	10.3
119.08609	0.8
120.05534	0.8
120.08173	0.5
121.02885	0.5
121.06480	0.8
122.06007	1.7
122.07198	0.6
123.04450	4.2
128.98573	0.6
132.04494	3.2
132.08076	2.5
133.02872	3.6
133.06511	1.2
133.10115	1.7
133.99040	0.5
134.07082	1.4
134.09648	72.2
134.99673	0.8
135.04346	1.3
135.09972	2.1
135.11642	0.4
136.03931	0.4
136.06152	0.4
136.07564	1.7
137.05980	3.1
137.07214	0.6
137.08206	4.7
137.09659	0.6
138.06526	0.4
145.02820	0.6
146.03137	2.4
146.99657	0.8
147.04405	2.8
150.03033	0.5
150.05449	3.8
150.09061	0.8
151.03928	1.6
151.07561	0.8
151.09732	0.7
152.08191	0.9
154.94157	0.7
154.96492	0.9
160.03914	1.4
160.07558	0.6
160.11203	1.4
161.02335	0.6
161.05951	1.3
161.08221	1.0
161.09570	0.8
162.09116	3.1
163.06244	0.4
163.09946	1.3
172.95253	2.5
174.00786	1.5
177.98016	0.5
178.04953	6.6
178.12263	100.0
179.03398	10.8
179.06789	0.9
179.09254	1.5
179.10582	1.9
179.12595	3.6
190.96297	1.8
192.01912	0.4
197.01282	0.7
199.02818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18042	0.7
51.88015	0.7
53.03941	4.8
55.01864	4.4
55.05511	8.0
56.96550	2.9
57.03421	1.5
59.05000	0.8
63.02362	1.0
65.03936	3.8
67.05505	42.0
68.05832	1.4
69.07063	7.5
70.10925	0.8
71.39551	1.3
74.15084	0.7
75.25084	0.8
77.03932	1.2
78.04713	1.6
79.05495	54.3
80.05846	1.2
81.03402	2.3
81.07058	49.6
82.07388	1.4
83.04982	5.6
83.08626	13.4
84.08144	1.3
88.29742	0.8
88.47232	0.8
89.03920	16.9
90.04234	0.8
91.05482	58.3
92.05798	1.0
93.07045	100.0
94.07369	2.9
94.75327	0.8
95.04974	19.9
95.08611	14.1
97.06536	13.6
98.98467	42.3
99.08083	3.0
100.07609	1.1
100.98877	0.9
103.05450	2.7
105.04514	1.9
105.07034	23.7
106.04146	2.8
106.07391	0.8
107.04956	6.7
107.08596	20.4
109.06523	7.5
109.10150	1.7
111.08059	3.4
112.11177	0.9
112.24482	0.8
115.05457	2.5
116.06247	1.4
116.99535	1.9
117.03382	25.3
117.07016	27.9
118.03778	0.9
119.08578	5.7
121.02834	0.9
121.06507	6.3
121.10148	16.4
129.07031	3.8
130.07759	0.9
131.04948	1.8
131.08572	35.9
132.04472	1.0
132.08014	0.9
132.08955	1.6
133.06549	1.4
133.10130	22.9
134.03636	4.0
135.04395	3.3
135.08041	6.4
135.11693	6.3
144.09372	1.7
145.02844	27.1
145.03987	1.4
149.02325	4.6
149.05992	11.6
149.09593	4.3
149.13269	9.5
150.06398	1.1
153.80043	1.0
157.10193	0.9
158.05981	1.2
159.08046	3.2
159.11694	48.4
160.11981	1.8
162.03136	2.0
163.03926	1.4
177.05455	12.5
177.09123	5.1
177.12749	55.5
177.16382	3.6
178.04993	0.8
178.08601	0.9
178.13087	1.8
186.05574	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03949	4.8
54.15723	0.7
55.01861	3.7
55.05506	7.6
56.96566	2.0
57.03417	0.9
64.15385	0.9
65.03925	2.4
67.05500	38.9
68.05811	1.4
69.03413	1.0
69.07066	7.8
71.39449	1.6
77.03914	0.9
78.04703	1.6
79.05489	56.6
80.05795	1.0
81.03413	2.1
81.07051	57.4
82.07364	1.2
83.04993	5.6
83.08613	13.0
84.08120	1.0
85.06541	1.5
89.03910	11.5
91.05476	64.1
92.05801	2.0
93.07037	100.0
94.07375	2.2
95.04960	21.3
95.08598	12.4
97.06519	16.5
98.98455	22.1
99.08091	3.0
103.05444	2.5
105.00065	0.9
105.04502	1.4
105.07023	21.9
106.04179	2.0
107.04946	3.6
107.08583	15.1
109.06515	8.0
109.10117	1.6
111.08083	3.8
112.11221	1.4
115.05444	2.3
116.06230	1.4
117.02615	1.5
117.03380	19.8
117.07007	27.6
119.08542	4.0
121.06478	3.6
121.10130	10.9
129.06975	3.0
130.07727	0.9
131.08557	39.3
132.08943	1.8
133.06508	1.5
133.10118	24.8
134.03624	3.2
135.04393	2.4
135.08017	5.4
135.11647	5.0
144.09323	2.0
145.02829	21.7
146.03253	0.8
149.02367	4.0
149.05978	8.5
149.09576	3.4
149.13248	7.5
157.10091	1.6
159.08028	2.0
159.11687	50.1
160.07394	0.9
160.11996	2.0
162.03189	1.4
163.03860	1.1
177.05486	10.6
177.09134	3.2
177.12735	52.6
177.16327	2.7
178.04913	1.0
178.08636	1.0
178.13115	1.7
186.05475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03939	2.3
55.01873	1.6
55.05503	1.6
63.02371	1.8
65.03940	2.4
67.05510	1.2
69.07072	2.6
69.49207	2.9
69.49628	1.4
76.83164	0.5
77.03916	0.6
78.04714	9.8
79.05482	4.0
81.03414	0.8
81.07047	2.3
83.04959	0.5
83.08596	0.9
89.03915	68.4
90.04266	1.4
91.05480	17.8
93.07037	6.3
95.01305	0.6
95.04967	6.0
95.08599	2.5
98.98466	6.1
103.05471	6.7
103.16273	0.5
105.03379	1.8
105.04512	1.5
105.07057	2.7
106.04174	27.6
107.04986	1.1
107.08598	6.4
109.10138	1.3
117.03378	95.7
117.07007	1.5
118.03739	2.0
119.04932	1.8
119.08583	1.3
121.02823	0.6
121.06501	11.1
121.09318	0.9
121.10130	7.3
124.05221	2.2
131.04919	2.2
131.08551	2.2
133.10139	0.9
134.03633	16.2
135.04422	10.0
135.08043	0.9
135.11668	2.5
136.04805	0.6
145.02841	100.0
146.03175	3.2
147.04346	0.8
149.05978	45.4
149.13293	0.7
150.06372	1.5
158.06017	1.6
159.08003	0.8
159.11690	1.2
160.07497	1.0
162.03166	4.2
163.03893	3.0
163.07597	0.6
177.05467	29.2
177.08990	3.5
177.11403	0.7
177.12717	2.5
177.16455	2.6
178.06024	1.2
186.05486	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03951	0.6
55.01877	0.4
62.46537	0.2
63.02368	1.4
69.26930	2.4
69.27332	0.7
78.04710	3.5
79.05490	0.5
89.03916	56.7
90.04249	0.9
91.05482	3.9
93.07023	0.8
95.04964	1.5
98.98454	0.9
103.05453	1.9
105.00110	0.5
105.03421	0.7
106.04170	4.1
107.04980	0.6
107.08572	0.3
117.03378	91.2
118.03698	2.0
119.04942	0.8
121.06524	0.7
121.10205	0.3
124.05192	1.7
134.02628	0.6
134.03633	10.4
135.04416	7.7
145.02844	100.0
146.03174	3.1
146.82227	0.3
147.04398	0.5
148.75227	0.3
149.05980	27.8
150.06332	0.8
156.46367	0.3
158.06047	0.9
159.11740	0.4
162.03127	1.1
163.03926	1.4
177.05467	20.7
177.12654	0.4
178.05692	0.3
186.05498	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	176.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82954	0.5
70.09155	1.4
70.09572	1.3
83.92139	0.5
98.21503	0.7
132.02110	100.0
133.02422	1.8
142.20837	0.5
150.03177	2.0
174.23068	0.5
176.01096	17.0
191.91095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02378	0.4
53.03942	0.8
53.68124	0.4
55.01865	1.2
55.05502	1.2
58.99587	0.6
62.14016	0.4
63.02381	1.6
67.05484	1.1
69.03434	0.5
69.07057	1.6
71.31347	0.5
71.31694	0.8
77.03942	0.5
78.04711	5.0
79.05488	2.2
80.54849	0.4
81.03406	0.7
81.07044	1.3
83.08617	2.1
89.03914	57.5
89.82273	0.5
90.04260	2.1
91.05479	7.0
93.07040	3.7
95.01340	0.5
95.04966	2.7
95.08605	1.3
98.98451	2.6
100.07646	0.4
103.05462	3.6
105.00075	2.3
105.03396	0.8
105.07024	1.6
106.04166	7.4
107.04961	0.7
107.08588	3.7
109.10165	1.1
117.03375	93.7
117.07027	1.0
117.52708	0.4
118.03667	2.5
119.04920	1.4
119.08563	0.9
120.08059	0.7
121.06509	4.4
121.10138	3.8
124.05210	1.9
131.04848	0.6
131.08575	1.7
133.10115	1.0
134.03621	10.9
135.04424	7.9
135.08025	0.7
135.11690	0.9
141.07050	0.4
144.09328	0.5
145.02841	100.0
146.03137	2.4
149.05974	32.4
150.06306	1.1
158.05986	1.4
159.11652	1.7
162.03168	2.7
163.03873	1.7
163.07579	0.6
177.05466	21.7
177.09053	1.1
177.12758	3.7
177.16344	1.6
178.05872	1.0
186.05528	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.6
53.03936	0.8
55.05511	11.0
57.07075	1.1
63.73882	0.6
65.03928	2.9
65.43053	0.6
67.05509	3.1
67.93329	0.6
68.87962	0.5
69.07068	25.3
69.53876	4.6
70.91225	0.6
77.03921	0.8
79.05492	5.7
81.07046	9.0
83.08612	5.4
85.71535	0.6
89.03918	2.3
91.05480	30.5
92.05836	0.7
93.07050	6.7
95.04970	1.9
95.08611	8.2
98.98464	9.1
100.96454	0.6
100.97272	0.7
101.74770	0.5
103.05456	1.6
104.06275	0.8
105.07030	40.6
106.07403	0.7
107.08594	9.0
109.10172	0.9
115.05476	2.4
117.07018	6.0
119.04954	8.6
119.08578	100.0
120.08924	1.9
121.01550	0.6
121.10145	3.6
128.06219	0.7
129.06998	1.7
131.08575	7.9
132.05692	1.4
132.09358	1.5
133.10129	81.8
134.10483	2.7
135.11717	0.6
145.10132	10.0
146.10925	2.9
147.04399	3.1
147.08093	1.4
147.11684	16.7
160.05197	1.8
160.12462	5.0
173.13300	2.9
175.03871	1.3
175.07536	2.6
175.11296	2.0
175.14825	81.4
176.15166	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30506	0.3
51.02390	0.4
53.03943	0.8
55.05510	9.5
57.07071	1.4
65.03963	0.4
67.05492	2.6
69.07066	26.0
70.07401	0.5
70.98134	0.4
70.98473	0.7
71.49508	0.4
77.35880	0.4
78.27445	0.3
79.05485	3.5
81.07056	6.8
82.18457	0.3
83.08617	5.1
84.08871	0.4
91.05476	13.7
93.07035	3.8
95.04967	0.8
95.08609	6.7
98.98460	4.9
103.05480	1.2
104.06245	0.5
105.07025	31.6
106.07362	0.8
107.04988	0.5
107.08594	6.6
115.05456	1.2
117.07016	5.2
118.07818	0.5
119.08575	100.0
120.08819	2.5
121.10128	3.1
129.06987	0.7
131.08574	5.9
132.09381	0.7
133.10123	81.7
134.10413	2.8
135.11719	0.8
145.10114	10.3
146.10907	1.2
147.08116	0.6
147.11679	12.0
157.10149	0.5
158.10881	0.6
159.11728	0.8
160.05211	0.6
160.12448	4.2
173.13269	3.1
175.07576	1.0
175.11385	1.5
175.14818	79.4
176.07004	0.5
176.15164	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05506	6.2
57.07059	1.0
63.69577	0.9
67.05493	2.1
69.06726	1.6
69.07066	19.4
70.44405	1.5
70.44766	3.9
79.05477	4.2
81.07049	7.4
83.08601	3.4
91.04903	1.2
91.05473	19.0
93.07028	4.2
95.04977	1.2
95.08603	5.1
98.98462	64.5
101.39970	1.2
103.05479	2.5
104.33900	1.1
105.07027	35.6
106.07373	1.1
107.08612	7.5
115.05437	2.0
116.99526	3.4
117.07037	6.6
118.07834	1.1
119.08576	92.3
121.10142	3.1
129.07018	2.4
131.08583	7.8
132.09320	1.7
133.10124	93.4
133.99211	1.0
134.10521	1.8
134.11906	1.0
139.83142	0.9
140.01016	2.0
142.07770	3.4
144.09322	2.2
145.10110	20.2
145.11261	1.3
146.10876	1.9
147.11676	35.5
157.04335	1.1
157.10153	1.8
159.11719	7.8
160.08867	1.3
160.12471	12.3
161.13258	2.1
171.86478	1.1
173.13300	2.4
175.11211	4.0
175.14816	100.0
176.15137	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.05510	9.8
60.86069	0.6
65.03933	0.7
67.05495	2.3
67.81870	0.7
69.07066	24.5
69.43643	2.9
69.44079	3.1
79.05489	3.0
79.46944	0.6
79.89584	0.7
81.07053	6.6
83.08617	4.5
91.05473	14.7
93.07040	4.5
95.08604	6.6
98.21406	1.9
98.98483	3.4
100.00094	0.8
103.05442	1.4
105.07025	31.5
107.08582	6.2
115.05447	1.8
117.07014	4.6
119.08575	100.0
120.08939	2.4
121.10172	3.1
129.07022	0.8
131.08571	5.5
133.10127	85.6
134.10530	2.3
145.10110	11.0
146.10965	1.8
147.10509	0.8
147.11678	14.1
158.10808	0.8
160.05145	0.9
160.12459	4.8
173.13242	2.9
175.07492	1.5
175.14821	76.9
176.15132	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03941	1.1
55.05510	11.1
57.07074	1.4
65.03947	1.5
67.05510	3.0
69.07066	25.8
69.53149	2.5
69.53567	0.8
77.03909	0.4
79.05495	3.5
79.05881	0.6
81.07056	6.1
83.08621	4.4
84.02798	0.4
89.03922	0.6
91.05478	16.8
93.07049	4.8
95.04945	0.5
95.08600	6.4
98.20750	0.8
98.98464	5.6
103.05471	1.2
104.06258	0.7
105.07030	29.7
106.07351	1.0
107.08590	5.7
115.05454	2.4
117.07018	4.4
119.04948	2.0
119.08577	100.0
120.08841	2.3
121.10141	3.1
123.81689	0.4
129.06998	1.0
130.06480	0.6
131.08556	5.1
132.05705	0.9
132.09306	0.5
133.10127	85.2
134.10388	2.4
135.11697	1.1
137.05743	0.4
145.10123	11.1
146.10889	1.4
147.04391	1.2
147.11679	14.4
153.05318	0.4
158.10904	0.5
159.11665	0.7
160.03111	0.4
160.05222	2.0
160.12483	5.3
173.13269	3.1
175.04066	0.6
175.07558	2.8
175.14821	84.4
176.15184	3.8
176.74101	0.4
182.72397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03942	0.6
55.05505	9.3
57.07061	1.4
67.05489	2.2
69.07063	26.4
71.16949	1.3
79.05489	2.8
81.07054	7.1
83.08613	4.2
91.05473	13.5
93.07035	4.0
95.04973	1.1
95.08604	4.9
98.98444	2.7
103.05470	1.3
105.07023	29.1
107.08593	6.6
111.51649	0.7
112.45690	0.6
112.83430	0.7
115.05461	1.2
117.07004	5.0
119.08572	100.0
120.08940	2.3
121.10127	3.0
129.06947	1.4
131.08563	5.9
133.10120	86.8
134.10489	2.2
135.11655	1.2
145.10101	9.0
146.10823	1.5
147.11684	9.6
156.01166	0.6
158.10840	0.8
158.54433	0.6
159.11650	1.2
160.05247	0.9
160.12450	4.1
173.13324	3.5
173.14619	0.8
175.07574	0.7
175.14815	79.2
176.15143	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01871	1.2
55.05510	9.0
57.07067	1.2
65.03949	1.0
67.05507	2.4
69.03411	0.9
69.07069	26.2
70.06608	0.5
70.38706	2.1
70.39049	0.4
72.08149	0.5
79.05491	6.1
81.03419	1.4
81.07065	7.2
83.08625	5.1
89.03971	0.6
90.99834	0.5
91.05482	24.3
92.05825	0.6
93.07046	5.0
95.04952	1.7
95.08608	5.8
98.21034	1.0
98.98465	14.3
103.05450	3.2
104.06248	4.3
105.07032	32.4
106.07341	1.0
107.04954	2.2
107.08610	6.8
109.06530	0.6
115.05453	8.6
117.07036	8.0
119.04935	1.6
119.08582	100.0
120.08853	3.2
121.10128	3.7
128.06213	2.8
129.06302	0.5
129.07025	5.1
130.06538	0.7
131.04939	2.5
131.08566	7.6
132.05719	9.9
132.09436	0.7
133.10129	78.1
134.10432	2.8
135.11696	1.4
142.07748	1.2
143.04926	0.9
145.06467	1.5
145.10127	8.6
146.10887	1.1
147.04384	1.2
147.08051	8.0
147.11700	12.7
148.12016	0.6
150.38657	0.5
157.10121	2.0
158.10883	0.7
159.11768	0.7
160.05183	9.1
160.08868	0.6
160.12456	3.6
173.13260	2.7
175.04056	0.5
175.07539	13.6
175.11298	4.1
175.14827	77.6
176.15237	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.70725	0.4
53.03948	0.6
55.05512	9.4
57.07066	1.4
65.03925	0.7
67.05501	2.3
68.59538	0.4
69.07068	25.3
70.07362	0.5
70.97919	1.0
79.05497	2.7
81.07051	6.6
83.08620	4.4
91.05482	12.4
93.07047	4.3
95.04946	1.0
95.08601	5.2
98.98462	1.2
101.55730	0.3
102.22720	0.5
103.05474	1.1
105.07032	30.5
106.07315	0.7
107.08594	5.4
109.06520	0.5
115.05481	0.9
117.07032	4.1
118.07856	0.4
119.08580	100.0
120.08801	2.8
121.10146	3.4
129.06982	0.5
130.07721	0.6
131.08563	5.2
132.09357	0.8
133.10129	80.0
134.10384	2.2
135.11664	0.8
145.10123	11.0
146.10829	1.5
147.11679	12.7
158.10741	0.5
159.11780	0.7
160.12476	5.0
173.13284	2.5
175.14825	77.2
176.15178	3.7
177.64658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03727	0.4
53.03946	0.9
55.05511	8.2
57.07072	1.4
65.03927	2.8
67.05507	2.8
69.07065	23.1
70.62046	1.7
72.08134	0.6
77.03920	0.5
79.05508	4.5
81.07052	11.0
82.73267	0.5
83.08617	4.0
89.03922	2.4
91.05477	34.5
92.05795	0.7
93.07042	5.2
95.04958	0.8
95.08610	7.7
97.26434	0.5
98.98461	19.9
103.05457	1.3
104.06274	0.8
105.07027	32.8
106.07349	0.8
107.04935	0.6
107.08589	7.6
109.06532	0.6
109.10175	0.7
115.05422	3.4
117.07008	6.5
119.04937	9.4
119.08575	100.0
120.08908	1.8
121.10158	3.0
122.03622	0.5
128.06183	1.0
129.06976	2.1
129.89523	0.5
130.06535	0.5
130.17419	0.5
131.08553	7.3
132.05739	1.0
132.09338	0.7
133.10124	89.1
134.10371	2.7
135.11676	0.8
142.07721	0.5
144.05728	1.3
145.10114	11.2
146.10860	1.7
147.04391	3.8
147.08058	1.6
147.10495	1.0
147.11679	20.0
148.12004	0.7
157.10101	1.2
158.06013	0.6
159.11644	1.0
160.05183	3.9
160.12457	5.6
173.13261	2.3
175.03894	2.0
175.07549	5.7
175.11220	3.0
175.14815	90.8
176.15285	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05514	8.7
65.03927	1.0
67.05490	2.6
69.07066	24.7
70.20068	3.8
74.16089	0.9
75.90182	0.9
79.05485	4.1
81.07047	8.0
83.08607	5.0
91.05474	15.6
93.07030	5.3
95.04984	1.1
95.08590	5.1
98.98463	59.9
103.05449	1.7
105.07026	34.8
107.08572	6.6
115.05457	1.8
116.99495	3.7
117.07040	4.8
119.08574	100.0
120.08885	1.6
121.10127	2.9
129.07025	1.5
131.08556	5.5
131.36188	0.9
132.90160	0.8
133.10124	77.2
134.10492	2.8
135.93282	0.9
140.01077	1.0
145.10120	9.0
146.10849	1.1
147.04410	1.0
147.11684	13.5
157.10110	1.2
158.10944	1.0
160.12468	3.8
173.13228	3.7
175.03918	1.1
175.07497	1.7
175.11388	4.6
175.14822	72.9
176.07022	1.0
176.15146	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	175.119
Annotation	L-arginine
Peak:m/z	Relative Intensity
50.02270	0.3
53.03936	0.7
55.01862	2.0
55.05507	4.5
56.05024	1.3
56.96292	0.5
56.96562	6.4
57.03437	3.7
58.06599	0.7
58.99856	0.7
59.05004	0.4
60.04525	1.6
60.05646	30.1
60.08160	1.4
61.02937	1.6
61.04853	0.3
66.88686	0.3
67.05497	2.3
68.05022	0.8
68.99815	0.4
69.03428	5.1
70.02960	0.4
70.06590	100.0
70.32006	1.2
70.98118	0.4
71.01361	0.6
71.04993	3.4
71.06921	3.5
71.95243	0.4
72.04502	0.4
72.08152	28.9
73.02917	2.5
73.06557	0.5
73.08487	0.6
74.02436	0.5
74.06095	0.8
75.02726	0.3
76.02232	0.6
77.00912	1.0
79.05490	0.5
79.53400	0.3
81.03427	2.4
81.07048	0.4
82.06584	0.5
83.01335	0.9
83.04988	1.0
83.06934	0.3
83.50574	0.3
84.04503	0.9
84.07642	0.4
84.08142	9.1
84.08620	0.6
84.96066	0.4
84.99278	0.3
85.02897	4.6
85.06541	3.0
85.08471	0.6
86.06078	0.9
86.09712	0.3
87.00877	0.3
87.01881	0.4
87.04465	5.0
88.04005	0.4
88.07639	1.0
88.99186	0.3
89.00846	0.3
89.03414	0.4
90.05584	0.3
91.02428	0.6
91.03244	0.4
91.05484	1.3
93.07041	0.3
94.02671	0.8
94.07385	0.3
95.01949	0.6
95.03457	0.6
95.04948	0.8
95.08610	0.8
96.02439	0.8
97.02880	6.9
97.07673	0.3
98.06052	8.8
98.09705	0.3
98.97580	2.1
98.98463	19.3
99.04471	0.6
100.02677	0.3
101.00874	2.0
102.02436	1.3
102.05567	0.4
103.00647	0.5
103.02443	3.4
103.05454	0.3
104.04012	0.5
104.07114	0.7
105.00390	0.4
105.02921	0.5
105.07070	0.4
107.00237	0.5
107.03441	0.3
109.02859	0.7
110.09677	0.9
111.02151	0.3
111.02957	1.0
111.04453	0.5
111.10014	3.5
111.53693	0.4
112.07642	1.8
112.08736	3.4
112.11225	1.8
113.03587	0.3
113.04433	0.3
113.10765	0.6
114.05518	0.6
114.09164	1.1
114.10303	0.8
115.02443	1.4
115.03985	0.3
115.08699	1.0
115.09529	1.4
116.03422	0.6
116.07086	22.6
116.09653	1.8
116.98640	2.2
116.99502	1.0
117.01933	0.5
117.02975	0.3
118.08685	1.3
119.01914	16.6
119.08563	1.5
120.02072	1.2
120.03452	0.4
121.01658	3.4
121.02523	0.3
121.02675	0.3
121.03484	2.9
123.50020	0.3
124.01909	0.4
125.02585	0.4
126.05556	0.9
127.02483	0.3
127.03956	0.6
128.10742	1.3
128.98610	0.3
129.01921	0.3
129.03951	0.8
129.07480	0.4
129.10254	1.1
129.11058	11.4
130.05009	0.4
130.06567	0.5
130.08678	3.2
130.09790	10.7
130.10725	0.5
130.12268	2.5
130.13055	0.3
131.00272	0.3
131.01901	2.8
131.02730	0.4
132.02122	2.6
132.03436	0.6
132.10237	0.5
133.01677	0.9
133.02489	0.4
133.03456	10.1
133.10147	0.7
134.03607	0.6
134.22330	0.3
134.99678	2.5
135.03255	1.4
135.05019	0.4
137.02956	5.9
138.03210	0.6
139.02702	1.5
139.03857	0.6
140.10742	0.3
142.03528	0.6
142.96564	0.5
143.01930	1.0
143.03604	0.4
144.01927	0.4
144.03285	0.5
144.13847	3.6
145.03427	3.5
146.99655	0.8
147.01431	0.6
147.03191	0.4
147.05136	1.7
149.01222	0.6
149.02969	1.0
150.99124	0.4
151.02718	0.3
151.04520	4.0
153.04080	0.5
155.01915	0.5
157.03510	1.4
157.10626	3.3
158.08116	1.7
158.09302	5.3
158.11858	0.9
159.05116	0.9
160.97595	1.7
161.02963	3.1
163.02728	0.7
163.04526	1.6
165.00797	0.6
165.06154	0.3
170.06641	0.5
171.01340	2.3
171.02728	0.3
171.05032	5.5
171.06335	0.4
173.03047	1.3
174.03232	0.3
175.01074	0.6
175.02594	0.6
175.04546	6.9
175.06140	0.3
175.07587	0.4
175.11867	14.1
175.14703	0.9
176.04695	0.4
176.09265	0.9
176.12868	0.4
176.16414	2.5
179.03976	0.5
189.02299	0.8
189.03680	1.2
189.06061	2.3
191.04044	0.4
193.03790	0.4
193.05467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0866
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
50.64311	0.6
51.02372	0.7
51.27041	0.5
51.78457	0.5
53.09220	0.5
55.01857	0.5
55.05500	1.2
56.05033	0.7
56.96548	1.6
57.03447	0.6
57.93553	0.6
59.06112	0.7
60.04511	0.9
60.05646	2.6
65.03934	1.1
67.01818	0.5
68.05023	0.6
69.03415	0.9
69.07063	0.6
70.02924	0.5
70.06251	0.6
70.06591	7.8
70.28849	1.0
70.29213	2.0
72.04494	0.5
72.08141	1.1
72.93781	1.4
76.60733	0.5
77.03911	0.7
79.05482	0.7
79.27692	0.5
80.05013	3.4
81.07085	0.7
82.02946	3.4
83.04973	0.6
84.04495	0.9
88.03961	0.6
90.94817	1.5
91.05476	6.8
91.35503	0.5
93.05782	0.5
94.06551	3.8
95.04955	1.3
97.02886	2.1
98.98462	81.5
100.03963	0.7
103.05474	5.5
104.04972	3.8
105.03454	0.6
105.07035	2.0
106.06564	0.6
107.04958	0.9
108.04488	2.9
111.04454	1.4
111.05574	0.7
115.05437	2.1
116.07114	1.8
116.97188	2.4
116.98720	0.7
116.99493	4.2
117.07074	0.5
118.06569	2.5
119.04935	1.5
119.06088	0.5
119.06851	1.0
119.08562	4.3
120.04433	0.8
120.08104	1.9
120.90728	0.5
125.02298	0.7
130.06522	100.0
131.04927	4.6
131.05891	0.9
131.06866	2.3
131.08539	1.1
132.04446	63.2
132.06805	1.5
132.95863	1.1
133.05125	2.1
133.06165	1.0
133.10085	2.9
134.06020	2.5
134.57094	0.6
134.99667	1.4
140.01068	0.6
140.04921	0.9
146.06009	10.8
147.04414	2.3
147.06352	3.7
147.08073	1.3
147.09161	2.0
147.11650	0.7
148.03975	0.8
148.07573	9.0
148.08669	1.2
148.96173	0.8
150.96941	2.9
150.97990	0.9
151.97021	1.6
152.97005	0.9
156.06825	1.1
157.07611	30.3
158.06006	80.0
159.06403	2.2
159.07535	0.6
160.05272	1.1
169.97583	0.8
175.03882	1.2
175.06102	1.7
175.08699	29.1
175.11166	1.7
175.14825	2.1
175.98488	0.8
176.07054	3.3
176.09106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05505	1.8
56.05030	1.1
56.96561	1.1
57.03433	1.2
59.04997	5.7
60.04516	0.9
60.05640	2.3
61.02924	0.3
68.05019	2.0
69.03434	1.1
70.02926	0.3
70.06588	59.4
71.04995	0.5
71.06914	0.7
71.57075	0.3
71.61018	0.3
72.04500	0.3
72.08139	0.8
73.02901	0.6
74.02419	0.3
79.05495	0.3
81.03429	0.5
82.06571	6.2
83.04978	0.4
84.04501	1.1
84.05289	0.4
84.08131	3.8
85.02905	1.0
85.08478	1.0
86.06046	0.8
93.07024	0.4
94.06533	0.3
96.04462	0.4
96.08137	2.2
97.02908	0.5
98.06052	1.1
98.09701	0.9
98.97533	0.3
98.97823	0.4
98.98461	5.1
100.03955	0.3
100.07600	0.7
102.05496	0.5
108.08140	0.3
110.06033	0.8
110.09672	39.5
110.79112	0.3
111.08086	0.3
111.09986	0.9
112.07590	1.0
113.02443	0.3
114.05530	2.7
114.09186	0.7
115.03944	0.3
115.08743	0.4
115.09504	0.4
116.07066	2.2
116.98615	0.4
119.01899	1.5
128.03462	0.7
128.07076	10.0
128.10706	100.0
129.10265	0.3
129.11057	2.4
130.08684	0.5
130.09747	0.8
131.01917	0.6
132.06516	0.4
132.08087	0.6
137.02969	0.3
145.03455	0.3
146.06030	0.3
150.96924	0.4
151.04477	0.3
156.10191	29.3
157.10600	0.7
158.09248	0.3
174.04024	0.7
174.07599	2.0
174.11250	29.8
174.12584	1.1
174.14821	0.9
175.11731	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89928	0.3
55.05501	2.4
56.05027	0.5
56.76732	0.4
56.96561	0.4
58.06586	0.6
60.04530	4.3
60.05658	2.1
68.05024	0.4
69.54979	2.9
69.55371	0.5
70.06591	3.4
71.04971	0.4
71.06101	0.8
72.04515	18.8
72.08155	26.3
73.04029	1.7
75.93168	0.4
82.06594	0.4
84.08163	2.4
85.02911	0.5
97.07657	2.0
98.06051	1.5
100.55943	0.4
110.09693	2.8
113.10173	0.7
113.10767	33.8
114.09166	100.0
114.10284	4.7
115.08709	9.2
115.09511	1.3
116.07101	0.9
119.01933	1.4
128.10710	6.5
131.11795	3.7
156.10211	1.2
156.11324	21.4
157.11661	0.5
173.13988	19.9
174.11174	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1398
Annotation	Acetylagmatine
Peak:m/z	Relative Intensity
50.38825	0.3
55.05506	2.5
56.96556	0.8
60.04524	4.1
60.05644	2.3
69.34303	3.0
70.06580	0.6
71.06128	0.3
72.04513	17.3
72.08152	25.8
73.04042	1.5
82.06565	0.4
83.04958	0.4
84.08138	1.2
93.89385	0.3
97.07642	2.1
98.06052	1.4
98.86440	0.3
101.00892	0.4
110.09676	1.2
113.09936	0.4
113.10762	33.1
114.09161	100.0
114.10276	4.8
115.08699	9.7
115.09504	1.8
119.01886	1.6
128.10724	2.2
131.11790	3.5
133.03459	1.1
156.11314	25.9
173.13980	24.7
173.15550	0.6
174.11261	0.7
174.14290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1124
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
53.03942	0.3
55.01862	0.7
55.05510	1.8
56.05040	0.9
56.05839	0.3
56.96571	1.0
57.03431	1.0
58.06597	0.5
59.05001	4.8
60.04526	0.5
60.05643	2.1
61.02907	0.2
62.74470	0.3
68.05030	1.9
68.10310	0.3
69.03418	1.1
70.06591	58.7
71.04985	0.7
71.06930	0.8
71.57413	0.6
72.04511	0.6
72.08152	1.1
74.02437	0.5
76.66599	0.3
81.07062	0.5
82.06585	5.1
83.05019	0.3
84.04493	0.9
84.05297	0.4
84.08140	3.8
85.02903	1.1
86.06063	0.9
87.04472	0.3
88.07607	0.3
91.05492	0.5
93.07030	0.4
94.06536	0.4
96.04478	0.6
96.08129	1.8
97.02884	0.8
98.06054	1.0
98.09708	0.9
98.97543	0.3
98.97726	0.3
98.98463	5.8
98.99116	0.4
100.07629	0.9
101.00836	0.2
102.05563	0.3
107.13850	0.3
110.06060	0.4
110.09679	39.7
111.10011	1.0
112.07603	0.9
114.05548	2.1
114.09172	1.0
116.07092	2.3
119.01920	1.2
120.01973	0.3
128.03418	1.0
128.07085	8.5
128.10712	100.0
129.07397	0.3
129.11055	2.3
130.08618	0.3
130.09787	0.5
131.01917	0.4
132.06599	0.3
133.03503	0.6
137.02988	0.5
138.09131	0.7
146.06015	0.4
150.06084	0.3
153.87184	0.3
155.01845	0.4
156.10199	29.4
157.10564	0.5
158.08072	0.4
158.09273	0.3
174.03912	0.6
174.05347	0.4
174.07642	1.2
174.11253	29.5
174.14874	1.0
175.04587	0.4
175.11726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1124
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
55.01873	0.9
55.05505	1.8
56.05030	1.1
56.96561	1.1
57.03433	1.2
59.04997	5.7
60.04516	0.9
60.05640	2.3
61.02924	0.3
68.05019	2.0
69.03434	1.1
70.02926	0.3
70.06588	59.4
71.04995	0.5
71.06914	0.7
71.57075	0.3
71.61018	0.3
72.04500	0.3
72.08139	0.8
73.02901	0.6
74.02419	0.3
79.05495	0.3
81.03429	0.5
82.06571	6.2
83.04978	0.4
84.04501	1.1
84.05289	0.4
84.08131	3.8
85.02905	1.0
85.08478	1.0
86.06046	0.8
93.07024	0.4
94.06533	0.3
96.04462	0.4
96.08137	2.2
97.02908	0.5
98.06052	1.1
98.09701	0.9
98.97533	0.3
98.97823	0.4
98.98461	5.1
100.03955	0.3
100.07600	0.7
102.05496	0.5
108.08140	0.3
110.06033	0.8
110.09672	39.5
110.79112	0.3
111.08086	0.3
111.09986	0.9
112.07590	1.0
113.02443	0.3
114.05530	2.7
114.09186	0.7
115.03944	0.3
115.08743	0.4
115.09504	0.4
116.07066	2.2
116.98615	0.4
119.01899	1.5
128.03462	0.7
128.07076	10.0
128.10706	100.0
129.10265	0.3
129.11057	2.4
130.08684	0.5
130.09747	0.8
131.01917	0.6
132.06516	0.4
132.08087	0.6
137.02969	0.3
145.03455	0.3
146.06030	0.3
150.96924	0.4
151.04477	0.3
156.10191	29.3
157.10600	0.7
158.09248	0.3
174.04024	0.7
174.07599	2.0
174.11250	29.8
174.12584	1.1
174.14821	0.9
175.11731	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03939	1.0
55.05506	14.4
57.03440	3.1
57.07069	1.7
59.04998	2.6
60.23284	0.5
67.05501	3.6
69.03453	0.5
70.83535	1.2
70.83872	1.1
71.06121	0.5
71.08637	3.5
72.93776	1.4
74.06064	0.6
74.78274	0.5
76.02238	2.4
79.05489	2.0
81.07041	3.4
83.04480	1.2
83.04969	13.3
84.04495	0.6
85.02892	0.9
87.04460	1.1
88.07626	1.6
89.06010	0.7
89.07964	0.9
90.94833	1.2
91.05473	16.1
93.07022	0.7
99.08080	1.8
101.06004	9.6
103.03288	3.9
103.05482	0.8
103.09519	0.7
105.07021	15.3
107.57281	0.5
111.04431	10.0
112.20189	0.6
113.06007	1.5
113.96355	0.5
115.05438	3.7
116.06232	3.5
117.07021	10.2
117.09109	0.8
118.06544	0.9
119.08573	15.8
127.07561	1.7
128.06206	3.4
128.07047	0.9
129.05499	7.6
129.06987	14.3
130.07782	5.8
131.08554	95.3
132.08047	0.5
132.08894	2.6
133.10086	3.2
142.07770	1.5
143.08549	33.5
143.61855	0.5
144.09355	10.8
145.06500	1.9
145.10114	36.2
146.06004	1.0
146.10466	1.5
149.93956	0.7
149.96033	0.9
155.05919	0.9
155.07025	8.9
155.08508	1.9
156.09331	2.9
157.10144	2.2
158.07330	3.5
158.10896	46.9
159.11656	3.2
167.97166	0.7
171.11685	1.3
173.05942	0.9
173.08281	10.6
173.09666	6.9
173.13245	100.0
173.17252	5.3
174.05513	1.0
174.13666	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	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03962	0.6
55.05510	3.7
69.78951	1.4
69.79378	1.7
72.04526	4.0
79.05490	3.0
83.08608	1.0
89.07155	2.0
91.05470	4.1
93.07051	1.1
95.04966	0.5
97.18192	0.5
100.07597	0.7
103.05465	0.6
105.07027	4.4
109.13039	0.4
115.05441	4.3
116.06252	0.7
117.07013	1.1
127.05354	0.7
128.06219	32.7
129.07011	33.5
130.07843	2.9
131.08571	5.8
141.06154	0.3
141.06975	10.8
142.07782	12.7
143.08554	72.4
144.08917	3.3
145.06451	2.7
153.07004	0.6
154.07791	0.5
155.06035	1.3
155.08556	3.6
156.09341	31.2
156.39854	0.5
157.09709	1.3
159.23607	0.4
165.64531	0.4
169.10152	2.9
171.11681	100.0
171.14682	2.3
172.12004	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	172.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.2
55.01871	0.8
55.05507	8.5
56.05030	3.9
56.96563	2.8
57.03434	1.3
57.07069	0.9
57.07304	0.1
58.02974	0.2
58.06589	0.6
59.05005	1.1
59.06115	0.3
60.04522	0.6
65.03918	0.3
67.05505	1.9
68.05030	0.8
68.99788	0.3
69.03430	0.8
69.04551	0.3
69.05799	0.3
69.07053	0.5
70.02943	0.4
70.06589	2.8
70.94258	0.2
71.04982	0.6
71.06094	0.3
71.06995	0.2
71.07373	1.0
71.57583	0.2
72.04498	0.8
72.08147	1.8
72.93785	4.6
73.02913	3.2
73.04828	0.2
74.06071	0.5
76.02206	0.5
79.05525	0.3
80.05021	0.3
81.04535	0.3
81.07061	0.4
82.02908	0.2
82.06576	1.7
83.04975	6.6
83.06072	0.2
84.04505	0.8
84.08138	100.0
85.02906	0.5
85.04019	0.3
85.06525	0.4
85.08466	1.9
86.06068	0.7
86.09707	0.9
87.04462	0.5
87.05577	0.4
88.03992	0.3
88.07619	0.3
89.02396	0.2
89.07156	0.2
89.94003	0.2
90.94821	3.0
91.05436	0.2
93.07024	0.3
94.06580	0.3
95.04945	0.5
96.04492	0.2
96.08119	0.5
97.06510	0.3
98.06060	1.2
98.09686	1.4
98.97580	1.3
99.04461	0.4
100.04034	0.3
100.07619	0.7
101.04254	0.3
101.06015	3.7
103.03278	0.5
107.95109	0.2
108.08125	0.5
108.95853	1.8
109.04051	0.2
109.06493	0.4
109.07707	0.2
110.06044	0.5
111.04440	4.1
111.09184	0.3
112.03971	0.3
112.04865	0.3
112.07592	2.7
112.11250	0.2
113.06020	0.8
113.07137	0.5
113.10776	0.3
113.96391	0.5
114.06671	0.4
114.09174	0.6
115.05475	0.2
116.07088	0.4
116.98615	2.4
124.07559	0.4
125.06026	0.3
126.05515	0.6
126.09149	17.2
126.12799	0.3
127.04990	0.2
127.07541	1.0
127.08595	0.3
127.09511	0.4
128.07083	0.4
128.10710	0.8
129.05463	3.0
130.08636	0.3
131.00172	0.2
131.97427	0.5
133.09514	0.2
133.24185	0.2
134.01263	0.2
134.99640	3.6
136.07574	0.5
137.05968	0.3
140.04303	0.4
143.07269	0.5
143.09441	0.3
144.08060	0.6
144.10190	12.5
145.06480	0.4
145.10561	0.2
146.99649	0.5
148.97392	0.7
149.96097	1.0
149.97144	0.3
153.00708	1.0
154.05052	0.5
154.08629	2.6
154.09766	0.3
154.12265	0.8
155.07016	3.5
155.08095	0.2
155.11786	0.3
158.01561	0.4
162.19084	0.2
167.97099	1.3
170.06049	0.3
172.06079	0.3
172.07472	0.5
172.08209	0.3
172.09662	3.3
172.11063	0.6
172.13390	0.4
172.16988	0.5
173.05875	0.2
173.08144	3.9
178.71098	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	171.1166
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03965	0.7
55.01886	1.0
55.05511	8.2
57.03448	0.9
57.07090	0.6
65.03957	0.5
67.05500	2.5
69.03444	0.5
69.07076	3.6
71.59016	0.6
71.83186	0.4
72.04518	8.3
73.02945	0.7
73.11304	0.4
79.05505	3.2
81.07063	0.6
83.04987	1.2
83.08624	2.2
84.08147	1.0
84.24648	0.4
85.02904	0.7
88.31903	0.4
89.07159	4.7
91.05482	12.1
93.07065	1.2
95.04986	0.6
97.06554	1.1
97.10146	0.7
100.07619	1.6
103.05459	0.6
105.07033	5.2
111.02744	0.6
111.04414	0.7
115.05452	5.5
117.07014	8.0
125.07938	0.4
128.06223	27.8
129.07005	90.3
130.07738	3.6
131.08562	3.4
141.06995	6.3
142.07796	5.8
143.08560	53.0
144.08963	2.5
145.06442	2.6
153.06934	0.5
155.06027	1.8
155.08540	1.1
156.09351	13.8
157.01367	0.5
157.09668	0.6
169.10173	2.1
171.08064	4.8
171.11685	100.0
171.14734	3.2
172.07411	0.5
172.09784	0.6
172.12108	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	170.0813
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03938	2.7
55.01870	38.5
55.05510	11.5
55.93498	0.8
56.04584	0.8
56.05038	13.2
56.96562	37.9
57.03434	2.6
58.06586	4.2
59.06094	1.3
60.04508	2.1
60.05621	0.8
60.95857	1.7
61.01130	2.0
61.02909	2.5
63.09366	1.1
65.03923	3.6
67.05499	4.4
68.01372	1.9
68.05019	5.9
68.99780	6.1
69.03432	6.7
69.07056	4.3
69.92554	2.7
69.99507	2.3
69.99920	3.7
70.02968	1.3
70.06586	18.1
70.94258	1.4
70.98109	2.8
71.01337	1.7
71.04971	2.0
71.95256	1.4
72.04513	6.6
72.08151	9.2
72.55730	0.9
72.93785	3.0
73.02919	2.9
74.06071	1.7
74.97583	1.5
78.57894	1.1
79.05486	10.6
80.04998	3.0
81.03413	3.8
81.04535	1.9
81.05804	1.8
81.07037	5.6
82.02935	1.5
82.06580	27.2
83.01340	3.5
83.04983	2.5
83.06098	4.1
83.06900	1.2
83.08618	2.1
83.85071	0.8
84.04501	8.0
84.08141	19.3
84.94878	3.2
85.02908	3.7
85.04025	8.6
85.07659	1.3
86.06062	3.7
86.09701	4.2
87.04461	1.4
88.02203	2.6
88.07615	1.1
88.99142	1.5
89.07122	1.1
90.94846	1.9
91.05476	1.5
92.01275	1.1
92.04998	6.2
93.05774	9.4
93.07020	1.7
94.06550	4.1
95.04963	2.3
95.06099	3.4
96.04486	3.5
96.08127	42.2
97.02895	3.8
97.03998	0.9
97.06513	3.3
97.07674	2.5
97.08398	1.4
98.02431	1.0
98.06047	5.9
98.09695	2.5
98.97580	3.0
99.05589	2.3
99.09206	1.9
100.03946	1.8
100.07610	8.4
101.02389	1.4
106.06544	3.8
106.07243	1.0
107.00179	1.1
107.04951	4.4
107.06085	1.3
107.08616	1.6
108.04466	1.7
108.08141	1.5
109.02879	3.0
109.06467	1.6
109.07634	3.2
110.06040	100.0
110.07217	3.9
110.09707	2.3
110.97584	1.7
111.00786	4.2
111.04447	5.3
111.05603	1.9
111.06305	1.8
111.09208	4.2
112.07585	1.8
112.09472	1.2
113.07142	1.6
114.05524	5.3
114.09177	1.9
115.02160	2.9
115.03886	1.3
115.05515	2.0
116.00231	1.8
116.98627	4.8
118.01013	1.1
118.74393	1.3
119.00198	1.4
119.01899	4.6
120.00755	1.2
121.02846	2.4
124.03948	3.7
124.07592	61.0
124.11231	9.8
125.05968	2.8
125.07095	3.8
125.09673	1.3
125.10741	4.5
125.97509	2.8
126.05511	1.3
126.09171	1.9
127.01543	10.9
127.03860	3.5
128.04559	28.7
128.06177	1.6
128.07050	7.9
128.93806	1.5
128.98616	3.2
129.01834	3.5
130.08691	1.1
131.01889	1.0
133.01544	1.7
134.01274	1.4
134.06023	25.7
134.99646	4.9
135.04369	2.7
135.06355	1.0
135.09187	1.3
136.02072	2.8
136.06180	15.9
136.07265	1.3
137.02258	2.1
138.05437	1.1
139.00273	9.7
139.03894	2.3
139.06175	1.2
140.07030	1.3
140.10677	2.7
142.04956	3.9
142.05885	1.4
142.08629	15.0
142.12262	1.9
143.01645	6.4
143.03371	2.3
143.08255	1.2
146.94839	1.2
146.96136	1.4
146.97357	1.9
146.99632	10.0
147.01418	1.7
147.04982	1.8
147.96887	3.3
149.01196	1.4
152.07066	83.3
153.01813	2.9
153.05431	3.1
153.07497	2.2
153.10194	2.3
155.03381	2.0
155.08023	10.6
157.01321	28.1
161.01244	2.5
164.95952	4.0
165.00711	4.4
165.97978	3.9
170.03088	1.5
170.04468	2.1
170.05740	4.3
170.08119	45.5
170.09601	19.6
170.11674	12.0
170.12949	2.6
171.01183	2.1
171.02895	5.1
171.11292	3.7
181.13348	1.5
187.02917	1.2
188.02344	1.3
189.00677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol
Peak:m/z	Relative Intensity
52.60711	0.8
53.03941	4.4
55.01863	1.7
55.05512	6.2
56.96572	0.9
57.03424	2.6
57.07066	2.4
57.64369	0.9
59.05002	75.4
60.05333	0.9
65.03946	3.1
67.05507	13.2
68.99786	1.2
69.03437	5.0
69.03760	1.0
69.07069	4.3
69.27180	7.1
71.05000	10.5
74.69258	0.8
79.05492	25.0
81.03421	2.4
81.07056	100.0
82.07391	2.4
83.04990	2.0
83.08620	3.0
84.08150	1.9
85.06553	1.4
87.04467	11.2
89.06021	4.1
91.05481	15.5
93.07042	45.9
94.07361	1.3
95.04970	7.4
95.08600	6.7
97.06525	1.8
98.21262	4.2
100.07601	1.0
102.13662	0.8
103.05505	0.9
105.07032	40.9
106.07354	0.9
107.07975	0.8
107.08599	4.9
109.02895	2.6
109.06507	12.0
109.10161	8.6
110.58088	0.9
111.00803	1.4
111.04466	1.1
111.08079	5.3
111.09203	1.8
113.04071	0.8
121.06509	1.0
121.10146	8.4
123.04420	1.6
123.08057	5.6
123.11716	8.8
126.03127	3.4
127.03944	1.0
133.10129	8.3
136.08868	2.1
141.05469	6.5
141.06985	3.0
147.64735	0.9
151.11185	25.9
151.12363	1.7
152.06978	0.9
152.11607	1.4
154.07803	1.6
158.36638	0.7
158.53349	0.9
165.11343	0.9
167.08549	1.0
169.04977	2.2
169.07599	1.7
169.10072	1.9
169.12277	3.6
170.09618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol
Peak:m/z	Relative Intensity
53.03938	4.7
55.01857	2.1
55.05510	7.1
57.03431	3.7
57.07067	4.4
59.04996	68.8
61.94630	0.7
65.03918	2.2
67.05496	19.2
68.99787	1.0
69.03424	4.4
69.07073	5.3
69.27188	2.3
69.27599	6.7
70.06579	1.8
71.04987	13.7
72.08161	0.9
76.57118	0.7
79.05486	24.8
80.05817	1.0
81.03399	3.1
81.07050	100.0
82.07377	2.5
83.04958	2.1
83.06078	0.9
83.08607	1.9
84.04484	0.9
84.08137	2.1
85.02880	1.1
85.06541	7.0
87.04464	13.6
89.06042	3.7
91.05477	14.6
93.07037	43.7
94.07359	1.6
95.04969	7.4
95.08596	12.0
97.02824	0.7
97.06505	2.7
99.04447	1.0
100.07585	2.1
105.04510	0.8
105.07021	37.3
107.08590	8.8
109.02875	4.4
109.06504	12.3
109.10143	11.2
110.06042	0.9
110.07170	1.1
111.00773	2.8
111.04424	2.2
111.08059	6.6
111.09200	2.7
112.55103	0.8
113.06032	1.1
115.05423	1.0
121.06438	1.1
121.10131	6.5
123.04401	2.3
123.08051	5.0
123.10804	1.2
123.11695	11.7
125.09635	0.8
126.03123	5.3
127.03893	0.8
131.87477	0.8
133.02837	1.0
133.10138	9.8
141.05460	11.3
141.06972	3.4
151.03886	1.4
151.11163	24.2
152.11455	0.9
153.06952	1.2
154.06306	1.6
154.07732	2.4
158.54208	0.8
169.04993	4.6
169.06270	1.3
169.07539	4.3
169.10109	3.4
169.12196	3.6
170.09610	2.6
186.83638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol
Peak:m/z	Relative Intensity
53.03943	4.5
55.01868	3.3
55.05511	5.3
56.05025	1.0
56.96563	0.9
57.03435	5.0
57.07059	2.0
58.11423	0.8
59.05000	81.2
59.06114	1.8
65.03937	2.1
67.05170	1.3
67.05505	15.1
68.04992	1.0
68.99787	1.5
69.03428	5.7
69.07072	5.8
70.06598	1.5
70.92717	2.0
70.93056	1.4
71.04996	13.4
72.03206	0.9
72.08150	1.3
74.34133	0.8
79.05491	26.2
81.03418	3.7
81.07056	100.0
82.07388	2.6
83.04971	4.1
83.08613	2.0
84.04497	0.9
84.08144	2.4
85.02905	3.8
85.06566	1.9
87.04465	14.5
89.06026	4.2
91.05477	16.1
93.07041	44.7
93.07634	2.2
94.07370	1.3
95.04967	7.4
95.08596	5.6
97.06512	1.9
99.08066	1.2
100.07594	1.5
103.05460	0.9
105.07033	42.9
106.07391	1.7
107.08597	6.1
109.02843	4.6
109.06519	15.8
109.10162	9.7
110.07232	1.0
111.00800	4.1
111.04444	2.1
111.08100	4.8
111.09203	4.3
113.06052	1.6
115.05480	1.2
121.10132	7.2
123.04448	2.1
123.08075	7.1
123.11710	10.7
126.03136	4.3
131.08600	1.0
133.10135	9.4
136.08841	1.7
139.11168	1.5
141.05464	11.6
141.06473	1.1
141.06996	1.0
151.07561	1.2
151.11177	26.9
151.12358	1.8
152.11708	0.9
154.02596	1.2
169.05005	3.9
169.07564	9.2
169.10040	2.7
169.12228	2.3
170.08128	0.9
170.09595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
53.03945	6.8
55.01861	5.6
55.05510	25.6
56.03778	1.4
56.05038	7.1
56.96559	14.2
57.03433	6.3
57.07070	4.6
58.06608	7.4
59.05001	65.1
59.06124	11.9
65.03941	12.3
67.05505	19.4
68.05039	9.2
68.99784	7.0
69.03432	11.6
69.04562	3.3
69.07069	11.3
69.24936	16.6
70.06590	14.1
70.07373	1.5
71.04991	13.8
72.04514	4.0
72.08160	17.4
72.48685	1.5
76.06607	2.3
79.05058	2.7
79.05492	28.1
80.05032	2.1
81.03417	20.8
81.04544	3.5
81.07059	100.0
82.06574	10.2
82.07384	2.3
83.04991	11.1
83.06114	8.3
83.08626	3.8
84.04478	3.5
84.08144	21.6
85.02905	10.1
85.03995	1.9
85.06531	4.6
85.07666	4.3
86.06076	2.0
86.07888	1.9
87.04464	12.8
88.03369	1.6
89.06008	3.1
90.76609	1.4
91.05483	15.4
92.05003	3.7
93.05785	6.7
93.07038	39.8
94.06570	5.9
95.01308	2.1
95.04962	20.2
95.06093	4.4
95.08607	15.6
96.04498	2.8
96.08135	6.3
97.02901	6.1
97.06516	6.6
97.07642	4.5
98.03669	3.7
98.06061	4.0
98.07191	3.2
98.09711	2.7
98.97589	1.8
99.04469	3.4
100.07607	17.1
100.68282	1.5
101.04859	1.5
103.95668	2.3
105.05502	2.5
105.07034	42.7
106.06564	1.6
107.06078	2.1
107.08606	8.2
107.09200	1.6
108.08100	3.0
109.02888	41.6
109.04005	1.9
109.06520	19.3
109.07627	9.9
109.10162	9.9
110.06030	6.2
110.07171	4.0
110.09677	1.6
111.00806	26.5
111.04472	14.2
111.05547	4.4
111.08050	8.7
111.09216	32.8
112.07629	2.6
112.11266	1.9
113.05976	3.7
115.05427	4.2
116.98584	2.8
118.94314	2.1
119.59942	2.8
121.02869	5.2
121.10139	7.2
121.96708	1.6
123.04430	9.7
123.05505	2.0
123.08087	10.9
123.09182	6.7
123.11682	13.7
124.07607	6.6
124.08696	4.0
124.11233	4.2
125.06027	2.8
125.07094	2.2
125.09650	2.0
125.10736	2.6
126.03134	38.8
126.05465	1.6
126.09150	2.1
126.10265	2.9
127.03914	12.7
128.07056	2.6
128.98656	2.0
133.10141	7.4
134.99663	3.5
136.08733	1.6
137.02356	6.2
137.05881	1.5
139.11218	2.0
141.05466	86.0
142.05748	3.5
142.12262	2.6
145.97388	1.6
146.99570	1.8
151.03886	6.8
151.07571	2.6
151.08661	4.1
151.11185	26.2
152.07050	4.0
152.08173	3.4
152.11809	2.3
153.10204	1.6
154.02617	5.4
154.07683	1.5
155.03375	6.2
163.97710	3.0
167.11806	4.5
169.03500	2.9
169.04967	25.1
169.07480	9.7
169.08586	2.6
169.09789	5.4
169.10921	3.2
169.12138	3.7
169.14503	5.1
170.05865	5.7
170.08136	2.8
170.09616	14.3
170.11723	3.4
181.98758	2.3
187.02827	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	0.5
63.45864	0.4
67.05508	0.6
69.88899	2.4
79.05497	0.5
81.03396	0.6
81.07069	1.2
88.93892	0.4
88.94542	0.3
91.05499	1.3
92.04976	0.4
93.07068	0.4
93.64748	0.4
100.99099	0.3
109.02888	0.8
109.06493	0.7
111.00797	0.7
115.05456	2.1
123.04413	0.7
123.11696	0.4
126.03153	1.1
128.06221	6.5
128.07127	0.5
129.07005	17.7
130.07341	0.6
141.05484	2.4
141.06987	49.1
142.07285	2.2
152.06216	1.2
153.06987	12.2
154.07768	55.0
155.08078	2.9
167.08562	3.5
168.09370	1.2
169.04944	1.1
169.10118	100.0
170.08179	0.4
170.10529	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.5
56.96569	0.5
65.62328	0.3
67.05508	0.7
68.99799	0.5
69.07069	0.4
70.19309	1.3
70.19685	0.5
79.05509	0.3
81.03421	0.5
81.07058	0.7
83.04985	0.3
83.36346	0.3
85.02877	0.3
91.05498	1.4
92.05003	0.7
93.05796	1.3
95.04971	0.5
95.08648	0.5
109.02900	1.0
111.00791	0.8
111.04497	0.4
115.05449	2.5
123.04413	0.6
124.07619	0.3
126.03121	0.4
128.06227	8.7
129.07013	16.6
130.07362	0.5
131.68683	0.3
135.20375	0.3
141.05472	1.9
141.06989	52.1
142.07336	2.4
143.08482	0.3
151.03954	0.3
152.06241	1.3
153.06998	11.8
154.07773	57.6
155.08124	2.3
165.06955	0.3
167.08585	3.8
168.09303	0.9
169.10123	100.0
170.10669	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	169.1222
Annotation	5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol
Peak:m/z	Relative Intensity
53.03942	5.3
55.01862	4.3
55.05511	9.3
56.96547	1.5
57.03436	2.4
57.07083	5.5
59.04995	70.7
59.06124	1.6
62.99261	1.0
65.03934	3.4
67.05499	15.9
67.17194	1.1
67.32233	1.2
68.05016	1.8
68.99763	1.0
69.03429	8.8
69.07063	6.1
70.06575	1.1
71.04977	11.7
71.58459	2.1
72.08157	2.2
79.05488	26.1
81.03403	4.7
81.07049	100.0
82.06567	1.8
82.07381	1.5
83.04985	2.7
83.06081	3.6
83.08605	2.8
84.08128	3.1
85.02922	1.2
85.06522	2.7
87.04453	13.6
89.06020	3.9
91.05470	15.5
92.04996	1.6
93.07036	44.3
95.04967	8.9
95.08602	10.7
96.08114	2.2
97.02843	1.4
97.06484	2.0
97.28680	1.2
99.04492	1.4
100.07605	4.5
104.95364	1.2
105.07021	40.8
107.08583	8.0
109.02859	6.7
109.06504	15.9
109.07637	1.5
109.10140	14.9
110.06006	1.3
111.00800	4.8
111.04417	4.4
111.08066	12.2
111.09205	3.4
112.11216	1.9
113.06007	1.4
115.05437	1.8
121.10131	7.2
123.04424	4.7
123.08064	6.7
123.11688	10.5
124.07571	2.6
125.09614	1.2
125.10790	2.0
126.03129	10.2
127.03876	2.4
127.07591	1.4
127.11179	4.6
133.10132	8.9
139.11166	1.4
141.05453	24.0
141.06999	4.0
151.11163	23.0
152.07095	1.3
154.07794	2.0
169.04974	5.8
169.06284	1.8
169.07594	4.6
169.08862	1.3
169.10104	4.0
169.12227	3.7
170.08109	2.6
170.09575	3.2
182.98894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01867	5.3
56.05008	4.0
56.26245	2.1
56.96555	9.5
57.03429	6.1
61.02930	3.0
65.03928	3.6
66.86572	2.1
67.05489	6.0
67.92493	9.7
68.05007	4.3
68.99793	2.7
69.03416	6.6
69.07050	5.3
69.34444	19.1
69.34875	4.9
70.02919	2.4
70.06585	5.2
71.04979	4.8
77.00890	2.8
78.31520	2.2
79.05472	3.3
80.04995	10.4
81.03425	16.9
81.04538	5.0
81.07034	4.9
82.04857	4.4
82.06557	6.7
82.94828	16.3
83.04969	3.8
84.04494	3.5
84.08121	8.5
85.02885	7.1
85.24432	2.9
94.06567	14.4
95.04921	3.2
95.06122	3.5
96.04465	5.8
96.08140	4.2
97.02885	5.3
97.06552	3.2
97.08896	7.1
98.06042	8.0
99.04397	2.9
100.02452	5.4
100.95862	3.9
101.00896	3.3
103.02507	3.0
108.04494	11.6
109.02871	18.1
110.06037	7.2
111.00783	6.2
111.04421	3.7
112.07571	4.9
118.03512	5.4
118.58791	2.4
119.01927	36.4
120.01968	3.7
121.01630	4.7
122.06001	24.1
122.09663	4.9
123.04415	3.2
123.97424	6.0
124.03886	4.9
124.07580	5.5
126.03104	6.8
126.05506	12.8
126.09117	4.9
126.93764	5.8
127.03900	4.7
131.01891	10.7
133.03424	5.0
137.03030	11.2
138.05472	9.4
140.03369	7.1
140.07072	17.6
140.10703	3.6
141.05460	19.4
144.94801	5.1
144.99786	5.4
145.03419	10.0
150.05498	27.2
150.09126	8.6
151.06180	8.5
152.07127	3.1
154.04994	6.3
162.95827	7.5
163.02728	3.8
163.04506	3.2
168.01570	2.5
168.02943	6.5
168.05125	8.0
168.06535	100.0
168.10161	26.9
169.04935	7.4
169.06943	3.9
180.07326	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.01591	0.5
51.02385	0.9
53.03939	3.9
55.01865	2.7
55.05507	4.6
57.03431	2.5
57.07058	0.9
59.04982	1.2
65.03919	0.9
66.04711	0.9
67.05493	5.2
69.03425	1.6
69.07061	2.6
69.62112	3.7
70.06564	0.8
71.04993	1.2
75.04479	3.3
77.03875	0.7
78.04709	10.2
79.05486	21.6
80.05795	0.6
81.03392	1.5
81.04543	0.6
81.07053	15.6
82.06583	2.4
83.04973	1.9
83.08621	0.9
84.08153	0.8
86.31026	0.5
87.04467	1.4
91.05478	18.2
93.03386	1.0
93.07037	100.0
94.04195	0.9
94.07388	2.2
95.04964	10.1
95.08591	7.4
96.05752	0.8
97.02882	0.7
97.06522	3.1
103.05441	1.8
103.08926	1.8
105.03417	0.6
105.04512	1.1
105.07025	18.2
106.04156	4.3
106.07825	1.3
107.04950	4.6
107.08595	10.6
108.14758	0.5
109.02845	1.3
109.06492	2.4
109.07639	1.2
109.10124	0.8
110.32714	0.5
111.04461	1.6
111.08073	28.7
119.08573	3.0
121.01668	0.9
121.02850	1.2
121.06528	2.3
121.10133	91.6
122.03640	1.1
122.07198	0.9
122.10472	2.0
123.04423	18.7
123.08053	5.4
123.11711	6.3
124.05212	7.0
125.05973	2.7
125.09644	0.9
131.08574	4.8
133.07585	1.2
134.03601	1.0
135.04428	1.1
137.05954	0.9
138.06712	0.5
139.07503	1.1
139.11169	7.7
140.03445	0.6
144.03268	0.8
149.02295	1.4
149.09612	13.1
149.13254	0.6
150.05472	0.6
150.10144	1.6
151.03912	3.4
152.04662	4.3
158.70490	0.5
167.03363	1.6
167.07030	52.6
167.10654	10.0
168.04207	0.7
168.07394	1.5
168.11211	0.6
175.27504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02374	0.6
53.03717	0.7
53.03946	4.1
55.01866	1.7
55.05506	3.2
57.03423	2.1
57.07069	1.1
57.58009	0.6
59.04992	1.2
65.03944	1.8
66.04711	1.1
67.05499	4.2
68.05028	0.5
69.03424	1.7
69.07060	2.1
71.01362	0.7
71.04982	0.5
71.58315	0.9
75.04478	3.9
76.71105	0.5
77.03925	1.3
78.04707	13.6
79.05492	21.6
81.03419	1.2
81.07053	17.2
82.06556	1.2
83.04980	2.8
83.06115	0.7
84.08163	0.8
85.06546	0.8
87.04465	0.9
90.43788	0.5
91.05476	16.9
93.03400	0.9
93.07039	100.0
94.04203	1.0
94.06611	0.5
94.07369	2.4
95.04971	8.9
95.08606	6.7
96.05739	1.0
97.02920	1.0
97.06542	3.8
103.05472	2.0
105.03350	0.9
105.04497	1.3
105.07025	15.3
106.04170	3.7
106.07810	0.8
107.04973	4.5
107.08597	9.0
109.02869	2.1
109.06512	3.6
109.07603	2.5
109.10178	0.7
110.07219	0.6
110.08394	1.4
111.04436	2.8
111.05556	0.6
111.08074	23.8
111.09213	1.0
119.08563	3.5
121.01675	1.2
121.02832	1.1
121.06498	2.8
121.10137	80.9
122.03651	1.4
122.07117	0.7
122.09663	1.3
122.10483	1.6
123.04423	22.1
123.08073	4.2
123.11713	4.9
124.05223	7.1
124.08712	0.8
125.06012	2.6
125.09603	1.2
131.08560	8.3
133.07649	1.4
134.03638	1.3
134.60179	0.5
135.04416	1.5
137.02333	0.7
139.02965	0.7
139.03897	4.2
139.07529	1.5
139.11168	8.5
149.02328	1.1
149.05972	0.6
149.08388	1.1
149.09607	18.7
150.05482	1.1
150.06628	0.7
150.10225	2.7
151.03900	3.6
152.04695	4.6
162.04242	0.7
167.03381	1.4
167.07036	64.6
167.10651	12.5
168.07401	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.01591	0.7
53.03943	3.6
53.32017	0.6
53.97834	0.7
55.01866	1.8
55.05520	4.4
57.03441	1.7
57.07068	1.1
59.04987	0.8
60.48197	0.6
65.03938	2.0
66.04704	1.0
67.05510	5.7
68.05019	0.8
69.03427	2.0
69.07066	3.3
70.06583	0.7
70.55566	1.4
70.55957	1.0
71.04996	1.8
75.04480	4.0
77.03899	0.7
78.04713	10.3
79.05492	18.7
81.03413	1.0
81.07057	14.4
82.06596	2.5
83.04989	1.7
83.06115	0.9
83.08630	0.6
84.08146	1.0
85.06550	0.8
87.04462	0.9
91.05483	13.7
92.05786	0.8
93.07043	100.0
94.04203	1.4
94.07378	2.3
95.04977	9.5
95.08608	8.2
96.05710	1.1
97.02879	0.9
97.06518	3.7
98.66279	0.6
103.05455	1.9
103.08899	0.8
105.03392	1.3
105.04498	1.2
105.07037	15.2
106.04177	4.6
106.07826	0.8
107.04969	4.6
107.08588	10.1
108.35284	0.6
109.02885	1.7
109.06495	3.0
109.07639	2.2
109.10177	1.2
110.03598	1.0
110.08428	1.5
111.04443	1.4
111.08079	24.1
112.08379	0.9
119.08583	3.1
120.02075	0.6
121.06553	1.7
121.10143	81.7
122.03640	1.3
122.07133	1.7
122.10462	3.2
123.04434	20.1
123.08060	5.2
123.11724	5.1
124.05228	7.2
125.05970	2.3
125.09604	1.4
130.06197	0.7
131.08586	4.6
133.07590	1.2
133.72630	0.6
134.03610	0.6
135.04427	1.1
137.05962	1.1
139.02756	0.7
139.07449	0.9
139.11182	7.9
147.59845	0.6
149.02301	1.5
149.05995	0.7
149.09622	13.6
149.13254	1.8
150.05553	1.5
150.10214	1.8
151.03923	4.3
152.04698	4.4
167.03358	2.3
167.07048	57.1
167.10669	8.7
168.07416	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01606	0.3
51.02371	0.6
52.03159	0.7
53.03945	1.7
55.01873	1.0
55.05502	1.5
56.96556	0.6
57.03438	0.6
65.03939	1.4
66.04720	1.8
67.01867	0.4
67.05503	2.3
68.02620	0.4
68.99783	0.3
69.03431	0.7
69.04552	0.6
69.07075	1.0
71.04998	0.8
72.08151	0.4
74.24848	0.3
77.03905	0.6
78.04710	22.5
79.05056	0.8
79.05489	10.7
79.46606	0.3
80.02654	0.4
80.05806	0.3
81.03417	1.0
81.07054	3.9
82.06605	0.5
83.04980	1.1
85.02943	0.4
86.91986	0.3
91.05476	3.2
93.03412	1.5
93.06469	0.6
93.07041	8.1
94.04162	1.8
95.04967	6.0
95.08584	2.1
96.05772	1.8
97.02892	0.3
97.06522	1.5
97.10125	0.3
105.03383	2.3
105.04527	1.0
105.07014	1.0
106.04173	7.4
107.04952	5.0
107.08578	2.9
108.04416	0.3
109.02887	2.6
109.06527	1.3
109.07640	0.5
109.10157	0.5
110.03677	0.6
111.04417	0.7
111.08102	1.9
121.01685	0.4
121.02857	0.8
121.06514	1.2
121.10143	4.3
122.03664	2.5
122.07204	0.3
123.04425	39.6
123.08021	0.6
123.11695	0.4
124.05215	11.5
125.05954	1.0
125.09615	0.3
134.03613	2.3
135.03539	0.3
135.04396	1.7
137.02359	0.7
137.05943	1.7
138.03076	0.4
139.02745	0.3
139.03964	0.4
139.07555	0.7
139.11186	0.3
144.03215	0.3
145.06432	0.4
146.79648	0.3
149.02306	0.8
149.06007	0.6
149.09644	1.0
149.13277	0.7
150.03073	0.3
150.05518	0.5
150.10231	0.5
151.03893	7.9
151.05112	0.5
152.04681	7.1
163.25011	0.3
165.05458	0.3
167.07034	100.0
168.04147	1.0
168.07359	3.3
168.10130	0.3
187.11346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03717	0.7
53.03946	4.1
55.01866	1.7
55.05506	3.2
57.03423	2.1
57.07069	1.1
57.58009	0.6
59.04992	1.2
65.03944	1.8
66.04711	1.1
67.05499	4.2
68.05028	0.5
69.03424	1.7
69.07060	2.1
71.01362	0.7
71.04982	0.5
71.58315	0.9
75.04478	3.9
76.71105	0.5
77.03925	1.3
78.04707	13.6
79.05492	21.6
81.03419	1.2
81.07053	17.2
82.06556	1.2
83.04980	2.8
83.06115	0.7
84.08163	0.8
85.06546	0.8
87.04465	0.9
90.43788	0.5
91.05476	16.9
93.03400	0.9
93.07039	100.0
94.04203	1.0
94.06611	0.5
94.07369	2.4
95.04971	8.9
95.08606	6.7
96.05739	1.0
97.02920	1.0
97.06542	3.8
103.05472	2.0
105.03350	0.9
105.04497	1.3
105.07025	15.3
106.04170	3.7
106.07810	0.8
107.04973	4.5
107.08597	9.0
109.02869	2.1
109.06512	3.6
109.07603	2.5
109.10178	0.7
110.07219	0.6
110.08394	1.4
111.04436	2.8
111.05556	0.6
111.08074	23.8
111.09213	1.0
119.08563	3.5
121.01675	1.2
121.02832	1.1
121.06498	2.8
121.10137	80.9
122.03651	1.4
122.07117	0.7
122.09663	1.3
122.10483	1.6
123.04423	22.1
123.08073	4.2
123.11713	4.9
124.05223	7.1
124.08712	0.8
125.06012	2.6
125.09603	1.2
131.08560	8.3
133.07649	1.4
134.03638	1.3
134.60179	0.5
135.04416	1.5
137.02333	0.7
139.02965	0.7
139.03897	4.2
139.07529	1.5
139.11168	8.5
149.02328	1.1
149.05972	0.6
149.08388	1.1
149.09607	18.7
150.05482	1.1
150.06628	0.7
150.10225	2.7
151.03900	3.6
152.04695	4.6
162.04242	0.7
167.03381	1.4
167.07036	64.6
167.10651	12.5
168.07401	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02365	0.3
52.03152	0.5
53.03947	1.7
55.01858	1.1
55.05506	2.1
56.05014	0.4
56.81472	0.3
57.03429	0.6
57.07073	0.4
65.03933	1.3
66.04708	1.3
67.05508	2.3
68.99783	0.4
69.03407	1.3
69.07051	1.5
69.52863	1.4
69.53288	1.4
70.06575	0.3
71.04984	0.3
72.08148	1.0
77.03924	0.8
78.04710	21.5
79.05077	0.5
79.05487	8.2
81.03407	1.5
81.07052	3.9
82.04121	0.4
82.06577	0.7
83.04969	1.7
83.06113	0.4
83.08605	0.5
84.08125	0.5
85.02886	0.5
91.05474	3.6
91.30767	0.4
93.03400	1.3
93.07042	13.8
94.04188	1.6
95.04965	6.0
95.08604	2.0
96.05740	1.1
97.06516	1.2
97.07687	0.5
98.07164	0.4
98.09652	0.3
105.03379	1.5
105.04497	0.6
105.07038	2.2
105.13394	0.3
106.04171	6.2
107.04958	4.1
107.06049	0.3
107.08588	3.6
109.02855	2.5
109.06524	1.9
109.07639	1.5
109.10106	0.4
110.03649	0.6
110.07137	0.3
110.08350	0.7
111.04440	1.0
111.08080	3.1
111.09202	0.5
112.07551	0.4
115.80878	0.3
119.08557	0.6
121.01669	0.7
121.02888	0.9
121.06506	1.5
121.08401	0.4
121.10135	10.5
122.03652	2.1
122.07130	0.6
123.04429	35.4
123.08054	1.2
123.11682	0.9
124.05228	11.7
125.05980	1.4
125.09600	0.6
126.06645	0.4
131.08591	0.6
134.03610	2.1
135.04428	1.7
137.05983	2.0
138.03101	0.6
139.02759	0.5
139.03836	0.5
139.07538	1.5
139.11191	1.2
144.03253	0.5
149.02313	0.9
149.05992	0.6
149.09602	2.3
150.05511	0.7
150.10287	1.5
150.11407	0.3
151.03897	7.1
152.04684	6.5
165.05519	0.4
167.07036	100.0
167.10657	2.5
168.04225	0.6
168.07428	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	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.03930	0.3
55.26789	0.2
64.39543	0.2
65.92648	0.2
70.58472	0.2
70.58801	0.5
74.00937	0.2
79.05494	1.4
80.94968	0.2
91.05467	0.8
92.36687	0.2
93.07043	2.5
95.04990	0.4
96.19335	0.2
103.05471	12.4
104.05814	0.2
107.04951	2.3
118.55975	0.2
120.08107	100.0
121.08447	3.0
128.73840	0.2
131.04929	2.0
149.06007	0.6
149.48022	0.2
150.26137	0.2
158.95576	0.2
166.07314	0.3
166.08577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.04765	0.4
50.33079	0.4
51.02360	0.6
53.03943	3.6
54.03460	0.3
54.94508	0.3
55.01870	2.3
55.05517	2.6
56.05027	0.9
56.96569	1.7
57.03428	0.9
57.07072	0.3
57.59388	0.3
59.06105	0.7
60.05638	0.8
65.03928	1.1
66.04733	0.6
67.02943	0.3
67.05502	2.4
68.05003	1.4
68.66454	0.3
68.99787	0.9
69.03435	1.7
69.04553	0.5
69.07061	1.0
70.03729	0.4
70.06596	1.7
71.04961	0.5
71.57981	0.6
72.08149	1.8
77.03926	0.5
78.04710	8.2
79.05493	17.1
80.05817	0.4
81.03410	1.3
81.04534	0.8
81.07055	4.8
82.06573	1.7
83.04983	2.4
83.06102	1.2
83.08595	0.5
84.08136	0.9
85.02894	0.6
85.07657	0.8
91.05478	13.3
92.30752	0.4
93.03397	0.7
93.07044	18.3
94.06536	0.8
95.04968	8.4
95.06078	0.4
95.08587	0.8
95.52524	0.4
96.05753	0.5
97.02857	0.5
97.06540	1.8
97.07627	0.8
98.07195	0.4
101.53022	0.3
103.05490	1.8
105.03387	0.8
105.04514	1.3
105.07021	0.8
106.04157	2.5
107.04952	3.3
107.06070	0.5
107.08622	1.7
108.04462	0.6
109.02863	1.3
109.06481	1.3
109.07637	3.2
110.07189	0.5
110.08424	1.9
111.04449	2.4
111.08048	0.8
111.09200	1.7
114.10299	0.7
120.08077	0.4
121.01685	1.6
121.02858	7.7
121.03906	0.5
121.06506	12.4
121.08414	0.8
121.10110	2.1
122.03648	1.1
122.06045	0.6
122.07103	1.1
123.04433	13.6
123.08073	1.2
123.09155	0.9
124.05221	4.2
124.08720	0.7
125.02336	0.5
125.06060	0.7
126.05559	0.4
126.06556	0.4
131.05019	0.4
134.03587	0.6
135.04372	1.0
137.02324	0.4
137.05937	2.0
139.02687	1.1
139.03873	2.6
139.07518	1.3
139.08499	0.4
140.07077	0.5
140.08133	0.4
144.03197	0.8
149.02316	2.6
149.04910	0.5
149.05981	2.6
149.09590	1.3
150.05374	0.4
150.10251	3.3
151.03891	1.6
152.04686	3.0
162.04291	0.6
167.03406	3.5
167.07036	100.0
167.12950	0.9
167.14224	0.7
168.07458	3.4
168.10103	0.4
168.11371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03942	2.6
55.01874	3.8
55.05515	4.8
56.96568	0.5
57.03433	2.5
57.07053	0.5
65.03938	1.7
67.05505	19.5
69.03429	3.0
69.07068	2.8
69.24628	1.8
69.25053	2.8
71.04993	1.3
73.02917	0.8
77.03922	0.6
79.05493	21.1
80.05831	0.5
81.03408	1.0
81.07056	27.4
82.07382	0.8
83.01338	0.6
83.04974	3.1
85.06528	1.9
91.05481	57.9
92.05807	1.5
93.07044	35.0
94.07387	1.0
95.04977	9.2
95.08607	12.5
97.06527	3.3
99.08089	0.6
103.05460	3.1
104.06252	2.0
104.95258	0.4
105.03387	0.6
105.04546	0.8
105.07034	28.4
106.07353	1.1
107.04947	1.5
107.08594	7.4
109.02863	0.5
109.06520	7.1
109.10154	3.1
111.04382	0.5
111.08071	0.5
113.78185	0.4
115.05443	0.7
117.07022	10.5
119.01938	2.3
119.04920	1.4
119.08580	100.0
120.08890	4.3
121.06508	1.2
121.10141	17.5
122.07277	0.6
122.10429	0.6
123.04397	2.1
123.08060	4.8
123.11716	2.3
129.07007	2.6
131.04877	0.4
131.05989	0.4
132.05698	1.6
136.08737	0.4
137.02960	1.2
137.05972	1.5
137.09619	4.6
137.13268	0.8
137.98499	0.4
142.03503	0.8
143.05389	0.5
145.10103	1.0
147.04428	1.2
147.08046	19.4
147.09216	1.0
147.11688	29.4
148.08430	1.1
148.12009	1.4
165.05482	0.9
165.09090	7.0
165.12749	24.2
166.13057	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0499
Annotation	4-Nitroacetophenone
Peak:m/z	Relative Intensity
53.00285	0.3
53.03932	0.9
53.52532	0.3
54.03455	0.5
55.01853	0.7
55.05502	0.7
56.05026	1.1
56.96559	2.0
57.03438	0.4
65.03933	3.1
65.92610	0.5
67.04233	0.3
67.05233	0.3
67.05502	3.4
68.05020	2.6
68.99762	0.3
69.03437	0.7
69.07050	0.4
70.06580	1.5
70.36655	1.0
72.04504	0.4
72.08129	0.4
73.02900	0.4
77.00639	0.3
77.03922	0.6
78.04709	1.7
79.05505	2.4
80.05013	2.2
80.94971	0.4
81.03417	0.8
81.04534	0.6
81.07040	1.2
82.06574	2.2
82.07384	0.4
83.04958	0.4
83.06087	1.2
83.93022	1.0
84.04508	0.5
84.08131	0.5
85.02876	0.4
85.07643	0.5
91.05465	3.9
92.04974	1.8
92.05801	3.3
93.03410	0.4
93.07018	3.2
93.24255	0.3
94.06572	2.1
95.04963	2.9
95.06074	2.1
95.07344	0.5
95.08582	1.1
96.04472	1.3
96.06881	0.4
96.08133	0.4
96.08909	0.5
97.02875	1.1
97.07633	1.6
98.06057	0.7
98.97570	0.5
100.07592	1.1
101.94079	0.5
103.05441	2.6
104.04995	0.4
105.04529	0.4
105.07010	1.0
106.04167	0.5
106.06524	0.5
107.04949	2.0
107.06087	1.3
107.08577	0.9
108.04460	1.3
108.06823	0.6
109.02840	0.4
109.05215	0.5
109.06504	0.6
109.07649	3.5
110.06046	1.9
110.07182	0.5
110.08392	0.9
111.04453	0.8
111.09177	0.8
113.94661	0.3
119.01894	1.2
119.04928	1.0
119.28572	0.4
119.95082	1.6
120.02005	2.2
120.04451	2.1
120.05275	4.1
120.08100	18.5
120.08897	2.1
121.01711	0.8
121.02849	1.4
121.06550	1.9
121.07586	1.9
121.10107	1.1
122.06007	1.9
122.07045	0.6
123.04404	4.1
123.05379	0.6
123.08060	0.4
123.09189	0.7
124.03923	2.6
124.04630	0.3
124.05257	0.9
124.07653	0.6
124.08699	3.8
125.02355	0.9
125.07096	1.3
126.07898	1.0
131.04953	0.4
134.03314	0.4
135.04425	0.6
136.03902	0.8
136.07501	0.6
136.08693	0.7
137.02982	0.5
137.05948	1.2
138.03076	1.7
138.05476	6.5
138.06343	0.4
138.09123	12.1
138.10002	0.6
139.02739	0.7
139.03862	0.8
139.04929	0.4
139.07553	0.7
139.08607	0.7
142.96683	4.2
143.03651	1.5
143.96654	0.4
147.04381	1.0
148.03860	37.3
148.07635	0.5
148.08612	2.7
149.02319	1.3
149.04280	0.8
149.07056	0.8
149.09610	0.6
151.03905	0.9
152.04652	0.4
160.95999	0.5
161.01132	0.6
161.04626	0.8
166.04985	100.0
166.08606	5.8
166.09740	3.1
167.03381	0.9
167.05374	2.4
167.07021	10.3
167.08411	0.7
167.10677	0.7
178.32468	0.4
179.02081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.02375	0.4
52.94578	0.4
53.03943	2.1
55.01870	3.2
55.05509	3.4
57.03436	1.9
57.07077	0.7
59.05009	0.5
65.03930	2.0
67.05502	16.2
67.50693	0.4
69.03423	2.4
69.07063	2.1
69.50609	2.4
69.51018	1.1
71.05002	0.6
76.29549	0.4
77.03944	0.6
79.05489	20.6
80.05828	1.0
80.06274	0.5
81.03402	1.2
81.07053	24.5
83.01344	0.6
83.04981	2.6
83.08595	0.6
85.02901	0.8
85.06551	1.7
91.05476	52.4
92.05807	2.0
93.03410	0.5
93.07037	31.8
94.07372	1.2
95.04966	8.9
95.08600	13.5
96.08932	0.7
97.06516	3.1
98.20812	1.0
103.05450	2.5
104.06251	1.9
105.03389	0.7
105.04492	0.5
105.07028	24.7
106.07292	0.5
107.04955	1.3
107.08587	7.6
108.82923	0.4
109.06515	7.3
109.10148	3.0
111.08051	0.6
115.05453	1.6
117.07011	9.9
119.01913	2.5
119.04945	1.4
119.08575	100.0
120.08112	0.9
120.08904	4.9
121.06501	1.4
121.10140	16.9
122.10443	0.6
123.04444	2.6
123.08071	4.8
123.11694	2.6
128.06238	1.0
129.06989	1.7
132.05676	1.0
133.02809	0.4
137.02974	1.2
137.05992	1.6
137.09604	4.9
137.13272	0.7
142.03496	1.8
142.96684	1.1
145.10136	0.6
147.04405	1.7
147.08043	18.9
147.11681	24.8
148.08434	1.2
148.12024	1.2
160.04523	0.7
165.01939	0.5
165.05486	0.9
165.06914	1.0
165.09111	6.9
165.12738	20.1
166.04985	0.5
166.13144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
51.02366	0.5
53.03947	2.0
53.48664	0.2
55.01867	2.6
55.05508	2.4
57.03432	0.6
58.06593	0.3
64.62524	0.3
65.03933	1.6
67.05503	6.6
68.05010	0.3
69.03424	1.5
69.03759	0.2
69.07065	0.6
69.67780	1.0
69.68213	0.8
70.06586	0.4
71.04985	0.8
73.02906	0.9
77.03927	0.4
79.05490	13.2
80.04987	0.4
80.06275	0.4
81.03422	0.8
81.07048	4.9
83.04997	0.5
83.06094	0.6
85.02898	1.7
88.08965	0.3
91.05476	51.7
92.05804	1.5
93.03382	0.3
93.07038	22.3
94.07378	0.7
95.04966	7.0
95.06035	0.3
95.08602	12.6
96.08909	0.3
101.00869	0.3
103.05470	3.5
104.06257	2.1
105.03390	1.2
105.04510	0.6
105.07024	9.5
106.07332	0.3
107.04933	1.8
107.06064	0.8
107.08597	0.9
109.02843	0.7
109.06509	3.5
109.07644	0.6
109.09422	0.4
109.10143	2.3
110.68256	0.2
111.04438	0.5
111.08087	0.3
115.05451	1.5
117.07015	11.6
118.07315	0.3
119.01942	2.0
119.04948	3.5
119.08574	100.0
120.08097	0.7
120.08881	3.6
121.06494	0.8
121.10142	2.2
122.07153	0.6
123.04419	3.2
123.08056	3.3
123.11703	0.5
124.08726	0.5
128.06184	0.6
129.06993	2.9
132.05754	1.4
133.02849	0.9
133.06525	1.2
133.07449	0.3
137.02930	0.8
137.05972	3.2
137.06970	0.5
137.09602	4.0
138.05544	0.4
142.03496	1.0
142.96744	0.4
147.04402	5.2
147.08040	22.6
148.04816	0.3
148.08546	1.3
159.18457	0.2
160.04582	0.5
165.01816	0.4
165.05417	1.0
165.09105	9.5
165.11377	0.7
165.12651	1.8
166.04973	0.5
166.09557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
51.02374	0.4
51.82885	0.4
53.03948	3.1
55.01873	3.3
55.05509	4.3
55.41780	0.4
56.05021	0.7
56.96561	0.7
57.03440	1.4
58.03766	0.4
58.06599	0.6
62.79991	0.4
65.03925	2.3
65.91669	0.4
66.04659	0.4
67.05504	8.9
68.05021	2.1
69.03421	1.9
69.04548	0.5
69.07062	0.7
70.06589	1.7
70.27980	0.4
71.04983	0.5
71.58327	0.9
73.02921	1.0
77.03905	0.4
79.05488	15.0
80.05032	0.7
80.06281	0.5
81.03417	3.2
81.04536	1.0
81.07056	8.5
82.06569	1.0
83.04984	1.3
83.06103	1.6
85.02869	0.4
85.07654	0.6
91.05477	67.8
92.04498	0.4
92.05802	1.7
93.07038	23.3
94.04174	0.9
94.06538	0.5
94.07410	0.9
95.01329	0.6
95.04964	11.7
95.06126	0.5
95.08601	13.8
97.02895	0.4
97.06515	0.8
97.07637	1.2
98.07183	0.7
103.05453	3.8
104.06242	2.2
105.03365	1.3
105.04521	0.7
105.07020	12.7
106.07340	0.6
107.04948	2.2
107.06072	1.5
107.08595	2.0
109.02879	3.0
109.06513	6.3
109.07643	1.1
109.10136	5.1
109.91395	0.5
110.07179	0.8
111.09206	1.0
115.05447	1.4
117.07011	13.0
119.01156	0.5
119.01929	6.6
119.04940	25.4
119.08572	100.0
120.05237	1.1
120.08098	3.2
120.08923	3.0
121.06498	1.4
121.07637	1.0
121.10139	2.3
122.03645	0.6
122.07182	1.8
123.04433	5.5
123.06664	0.5
123.08070	5.4
123.11757	0.6
124.05071	0.5
124.08730	2.4
125.09480	1.4
128.06195	1.1
129.07036	2.4
132.05688	0.7
133.02844	3.5
133.06415	0.6
135.07997	0.5
136.08682	0.6
137.02937	4.8
137.05972	6.1
137.09593	5.4
138.05545	0.5
138.06509	0.6
138.10196	1.4
142.03488	4.5
142.96690	0.6
143.20589	0.5
147.04404	39.4
147.08034	25.1
147.09233	0.7
147.11678	1.2
148.04729	2.1
148.08606	2.6
160.04558	1.6
165.01765	0.9
165.05553	3.7
165.06789	0.6
165.07817	0.7
165.09100	11.6
165.11395	2.7
165.12743	2.7
166.05019	0.7
166.09689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
53.00308	0.5
53.03940	2.3
55.01872	2.5
55.05506	5.6
56.05044	0.7
56.21566	0.4
57.03436	3.4
57.07074	2.7
59.05005	2.5
60.03401	0.4
63.61108	0.4
65.03951	3.4
67.05502	27.3
68.05021	0.7
68.05843	0.6
69.03432	5.5
69.07060	6.3
70.06578	0.6
71.04984	1.4
71.09499	0.6
71.09822	0.8
73.02908	0.6
79.05491	18.7
81.03412	1.6
81.07053	22.4
83.04969	1.9
83.06083	0.8
83.08622	1.9
85.02901	1.7
85.06533	0.8
91.05479	55.1
92.05836	1.5
93.07039	24.2
94.07376	1.0
94.32021	0.4
95.04966	34.1
95.08603	27.6
96.05266	0.7
96.08945	0.8
97.06514	0.9
103.05453	3.5
104.06268	2.5
105.03384	1.1
105.04516	1.3
105.07028	16.1
107.04945	4.7
107.08596	23.5
108.05714	1.1
108.08878	0.6
109.06515	20.0
109.09402	0.5
109.10158	4.0
110.07304	1.6
115.05478	1.0
117.07012	10.6
118.07353	0.7
119.01926	2.1
119.04931	5.2
119.08578	100.0
120.08109	1.1
120.08912	3.4
121.06492	1.9
121.10159	6.6
122.07208	0.7
123.04431	3.5
123.08064	23.7
123.11695	13.6
124.08574	0.6
128.06221	0.9
129.07001	2.9
132.05725	4.5
135.11702	0.6
136.08757	0.8
137.02972	0.8
137.05960	1.1
137.09624	7.5
137.13258	3.1
138.10046	0.5
142.03500	1.1
145.06561	0.5
145.10187	0.4
147.04388	9.2
147.08046	27.1
147.11681	5.1
148.08452	1.1
150.10394	0.6
165.05518	0.5
165.09108	11.0
165.12752	43.0
166.13113	1.6
172.75922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.62590	0.3
53.03946	1.0
55.01874	1.0
55.05511	2.3
57.03427	0.5
57.07083	1.3
59.04992	0.4
65.03929	2.5
67.05502	5.4
68.05010	0.5
68.99782	0.5
69.03426	3.1
69.07056	1.3
70.06590	0.7
71.04987	0.4
71.57966	0.4
77.03928	0.7
79.05484	5.8
81.03413	1.7
81.04540	0.3
81.07056	6.9
82.06570	0.6
83.04966	0.9
83.06123	0.3
83.08592	0.5
85.02902	0.4
91.05477	43.3
92.05793	0.8
92.78496	0.3
93.03410	0.3
93.07037	7.2
94.04173	0.4
95.04964	6.8
95.06113	0.2
95.08604	4.9
97.06509	0.7
101.00867	0.8
103.05467	1.1
104.06171	0.4
105.03403	0.8
105.04523	0.4
105.07025	6.3
107.04951	0.8
107.06064	0.9
107.06782	0.3
107.08607	3.8
107.26497	0.3
109.02859	0.5
109.06511	5.1
109.07629	0.4
109.10154	3.1
109.65443	0.3
117.07013	2.2
119.01930	8.0
119.04938	63.4
119.08576	19.2
119.09458	0.6
120.05243	1.5
120.06832	0.3
120.08102	0.9
120.08900	0.4
121.06502	0.8
121.10132	3.8
122.03642	0.4
122.07180	1.0
123.04426	3.9
123.08079	3.1
123.11693	1.3
124.08710	0.6
129.07040	0.3
132.05637	0.3
133.02858	2.5
133.06483	0.6
135.08101	0.4
137.02147	0.4
137.02979	4.9
137.05974	3.0
137.09592	2.4
137.13225	0.5
138.06505	0.4
141.05499	0.4
142.03491	4.1
142.96642	1.1
147.04404	100.0
147.08018	4.4
147.11693	2.7
148.04778	3.5
148.08633	0.6
150.06744	0.3
160.04590	1.9
165.01801	1.0
165.04364	0.3
165.05547	3.2
165.07776	0.8
165.09061	3.4
165.11388	1.0
165.12727	6.2
166.04922	0.3
166.08533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03927	0.9
55.01864	2.1
55.05499	1.7
56.05024	0.6
57.03422	0.7
61.32714	0.3
62.36010	0.3
65.03934	2.8
65.28036	0.4
67.05502	5.8
67.82300	0.4
68.05024	1.0
68.99779	0.6
69.03419	1.7
69.07065	0.9
70.06588	1.1
70.28425	0.4
71.04971	0.5
71.57681	0.6
77.03910	0.4
79.05485	5.5
79.58649	0.3
80.05016	0.8
81.03415	2.4
81.04530	0.7
81.07061	5.1
82.06580	0.6
83.04967	0.9
83.06110	1.4
91.05476	43.9
92.05808	1.2
93.07041	5.1
95.01265	0.5
95.04972	5.8
95.06089	0.7
95.08597	3.9
97.06511	0.4
98.21021	0.6
98.24577	0.4
101.00842	0.7
103.05467	1.0
105.03388	0.7
105.04498	0.5
105.07023	4.8
107.04948	1.5
107.06070	0.9
107.08590	1.7
108.05481	0.4
109.02895	0.8
109.06516	2.6
109.07632	1.1
109.10157	4.8
111.04462	0.5
111.09180	0.5
115.05496	0.5
117.07001	2.2
119.01939	4.8
119.04936	58.8
119.08574	17.0
120.05315	1.8
120.08116	2.1
120.08873	0.6
121.06491	0.6
121.10152	1.7
122.03650	1.1
122.07208	2.1
123.04431	5.2
123.05265	0.6
123.08041	2.3
123.11673	0.5
124.03934	0.4
124.04990	0.4
124.08701	1.6
125.09495	0.6
133.02837	1.1
133.06493	0.7
136.05177	1.3
136.07597	0.7
136.08676	0.4
137.02979	3.1
137.05975	3.5
137.07935	2.0
137.09610	3.3
138.05487	0.7
142.03484	3.1
142.96658	0.5
147.04401	100.0
147.08035	4.0
147.11685	1.4
148.04736	3.8
148.08676	1.1
160.04553	1.6
165.01820	1.6
165.05562	3.1
165.07776	0.9
165.09094	10.2
165.11340	1.9
165.12747	3.5
166.08568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02367	0.3
53.03939	0.7
55.01871	0.8
55.05513	1.1
56.05033	0.3
56.83305	0.2
56.96551	0.3
57.03437	0.4
59.04991	0.2
59.06121	0.2
64.71692	0.2
65.03930	2.5
66.88346	0.2
67.03017	0.2
67.05513	2.3
67.97475	0.2
68.05026	0.5
68.99796	0.2
69.03425	0.6
69.07085	0.4
70.06580	0.5
71.04996	0.4
71.57713	0.4
73.02937	0.2
77.03910	0.2
79.05492	2.7
80.05013	0.6
81.03409	0.4
81.04545	0.6
81.07053	2.6
82.06583	0.4
83.05000	0.3
83.06102	0.5
85.07678	0.3
91.05479	40.5
92.05792	0.8
93.07035	4.0
94.04182	0.2
94.06549	0.2
95.01306	0.2
95.04365	0.3
95.04968	4.4
95.06091	0.3
95.08598	3.0
97.06489	0.3
97.07628	0.3
98.07213	0.2
101.00883	0.4
103.05448	1.1
105.03393	0.4
105.04545	0.3
105.07026	3.7
107.04959	0.6
107.06075	0.8
107.08604	1.0
109.02863	0.5
109.06544	1.4
109.07653	0.3
109.10159	1.6
110.07160	0.3
111.84869	0.2
117.07014	1.3
119.01955	2.5
119.04939	62.1
119.08574	13.2
120.05232	1.5
120.08137	1.3
121.06464	0.6
121.07587	0.3
121.10149	0.5
122.03659	0.3
122.07198	0.6
123.04424	2.9
123.08072	1.5
123.11700	0.4
124.08749	0.9
125.05976	0.2
125.09500	0.2
129.06982	0.3
133.02843	2.3
133.06488	0.7
137.02919	1.1
137.05969	2.6
137.09608	1.5
138.10228	0.2
142.03484	1.6
142.96698	0.3
147.04405	100.0
147.08028	2.8
147.11661	0.5
148.04736	3.4
148.07553	0.3
148.08600	0.4
160.04524	0.7
165.01784	0.4
165.04390	0.2
165.05544	1.8
165.07745	0.3
165.09093	2.4
165.11359	0.9
165.12756	1.7
166.08597	1.1
168.84358	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	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03939	0.7
55.01871	0.8
55.05513	1.1
56.05033	0.3
56.83305	0.2
56.96551	0.3
57.03437	0.4
59.04991	0.2
59.06121	0.2
64.71692	0.2
65.03930	2.5
66.88346	0.2
67.03017	0.2
67.05513	2.3
67.97475	0.2
68.05026	0.5
68.99796	0.2
69.03425	0.6
69.07085	0.4
70.06580	0.5
71.04996	0.4
71.57713	0.4
73.02937	0.2
77.03910	0.2
79.05492	2.7
80.05013	0.6
81.03409	0.4
81.04545	0.6
81.07053	2.6
82.06583	0.4
83.05000	0.3
83.06102	0.5
85.07678	0.3
91.05479	40.5
92.05792	0.8
93.07035	4.0
94.04182	0.2
94.06549	0.2
95.01306	0.2
95.04365	0.3
95.04968	4.4
95.06091	0.3
95.08598	3.0
97.06489	0.3
97.07628	0.3
98.07213	0.2
101.00883	0.4
103.05448	1.1
105.03393	0.4
105.04545	0.3
105.07026	3.7
107.04959	0.6
107.06075	0.8
107.08604	1.0
109.02863	0.5
109.06544	1.4
109.07653	0.3
109.10159	1.6
110.07160	0.3
111.84869	0.2
117.07014	1.3
119.01955	2.5
119.04939	62.1
119.08574	13.2
120.05232	1.5
120.08137	1.3
121.06464	0.6
121.07587	0.3
121.10149	0.5
122.03659	0.3
122.07198	0.6
123.04424	2.9
123.08072	1.5
123.11700	0.4
124.08749	0.9
125.05976	0.2
125.09500	0.2
129.06982	0.3
133.02843	2.3
133.06488	0.7
137.02919	1.1
137.05969	2.6
137.09608	1.5
138.10228	0.2
142.03484	1.6
142.96698	0.3
147.04405	100.0
147.08028	2.8
147.11661	0.5
148.04736	3.4
148.07553	0.3
148.08600	0.4
160.04524	0.7
165.01784	0.4
165.04390	0.2
165.05544	1.8
165.07745	0.3
165.09093	2.4
165.11359	0.9
165.12756	1.7
166.08597	1.1
168.84358	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	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03927	0.4
55.01842	0.6
56.05043	0.6
56.96574	0.2
57.86088	0.3
65.03934	2.1
67.05505	1.7
68.05019	1.0
70.06610	0.6
70.51160	0.3
70.51508	1.1
79.05478	1.0
80.04993	0.7
81.03430	0.4
81.04536	0.7
81.07052	1.1
82.06581	0.5
83.06094	1.3
85.07690	0.7
90.39551	0.3
91.05481	31.6
92.05820	0.8
93.07039	1.3
95.04961	3.0
95.06097	0.6
95.08600	1.1
97.07640	0.7
98.07185	0.5
101.00895	0.6
103.05429	0.7
104.72866	0.3
105.03374	0.5
105.07053	0.6
107.06064	0.9
107.08583	0.6
108.05672	0.4
109.06502	0.8
109.07632	0.9
109.10173	0.9
110.07171	0.4
117.06994	0.6
119.01955	4.0
119.04939	59.3
119.08578	4.0
120.05234	1.7
120.08079	0.9
121.07648	0.5
122.07172	0.6
123.04427	4.4
123.08035	1.0
123.30775	0.3
124.08711	1.0
125.09474	0.6
133.02859	0.9
137.02957	2.3
137.06006	2.0
137.07001	0.5
137.09601	1.0
138.09114	0.9
138.10188	0.6
142.03497	2.6
142.96704	0.5
147.04407	100.0
148.04764	3.0
148.08661	0.7
160.04556	0.8
165.01826	0.6
165.05612	1.4
165.06743	0.5
165.09071	1.6
165.11363	1.1
166.04968	0.6
166.08554	0.6
167.29941	0.3
174.33102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03954	0.5
55.01872	0.6
55.05523	0.3
56.05033	0.4
63.02380	0.3
65.03929	2.2
67.05511	1.4
68.05025	0.5
68.75422	0.2
68.99803	0.2
69.03423	0.4
69.07088	0.2
70.06600	0.4
70.24921	0.7
79.05489	1.5
80.05022	0.4
81.03417	0.9
81.04559	0.5
81.07061	1.3
82.06589	0.4
83.04985	0.2
83.06110	0.8
85.02876	0.2
85.07678	0.2
91.05478	37.8
92.05811	0.9
93.07036	2.4
95.04967	4.2
95.08605	1.4
97.07657	0.5
98.07182	0.2
98.20735	0.3
101.00876	0.4
103.05463	0.7
105.03426	0.3
105.04504	0.2
105.07036	1.4
106.40073	0.2
107.04956	0.4
107.06069	0.6
107.08611	0.2
107.92966	0.2
108.04523	0.2
109.02848	0.3
109.06529	1.0
109.07626	0.4
109.10139	1.2
111.09224	0.2
117.07011	0.7
119.01982	2.2
119.04939	61.7
119.08578	7.6
120.05250	1.6
120.08113	1.1
120.08897	0.3
121.06483	0.6
121.07687	0.2
121.10119	0.2
122.07188	0.7
123.04426	4.8
123.08060	1.2
124.08719	0.9
125.05984	0.2
125.09436	0.4
132.05707	0.3
133.02853	0.8
133.06490	0.2
137.02962	0.8
137.06004	1.5
137.09634	1.3
138.10236	0.3
142.03493	1.0
147.04404	100.0
147.08026	2.2
148.04767	3.3
148.08681	1.0
160.04530	0.6
165.01808	0.3
165.05502	1.7
165.09102	3.1
165.11382	0.6
165.12697	0.4
166.05011	0.4
166.08472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11819	0.3
57.64447	0.3
69.92477	0.6
69.92879	1.1
76.71970	0.3
80.94963	0.5
82.88775	0.3
82.99861	0.6
84.13354	0.3
100.02469	1.0
100.92889	0.3
101.00879	16.4
102.00966	0.5
112.18581	0.3
119.01921	100.0
120.02017	3.9
121.02359	0.4
124.02427	2.1
137.02957	39.9
138.03040	1.7
142.03502	44.8
143.03619	1.7
160.04562	17.5
161.04745	0.4
161.34392	0.3
165.05113	1.3
183.06189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.4
51.02378	0.5
53.03943	2.5
55.01873	1.3
55.05521	0.5
56.05040	1.1
56.96566	7.1
57.03445	1.0
57.04541	0.4
60.04526	0.5
61.01146	1.6
62.01479	0.6
63.00721	0.5
63.92931	0.4
65.03936	1.9
65.92627	2.9
66.18383	0.3
67.05524	1.6
69.03426	0.7
70.06593	6.7
71.01355	0.4
71.06317	0.5
71.06931	4.8
71.57713	0.6
71.95267	0.8
72.08152	0.4
72.32056	0.3
73.02892	0.4
74.02443	1.0
74.06087	0.4
76.60158	0.3
77.00894	0.7
77.03933	0.7
78.95280	0.5
79.05487	1.0
80.05008	0.4
80.94955	4.7
81.03407	0.7
81.04556	0.8
81.07058	2.0
82.01445	0.3
82.06563	0.7
82.99829	0.8
83.04974	0.7
83.50522	0.4
84.08147	4.1
84.96056	0.6
85.02888	0.7
85.08482	0.4
86.06889	0.5
88.03040	0.7
91.05480	23.3
92.05009	0.7
92.05803	0.6
93.04543	0.4
93.07034	2.0
94.04131	0.5
95.04967	80.9
95.08618	0.5
96.02399	0.4
96.05312	1.2
97.02892	0.6
98.01286	0.4
98.96010	1.0
98.97582	0.6
99.06352	0.3
100.02494	1.5
101.00860	7.2
101.01475	0.5
103.05464	5.3
105.00381	0.4
105.04556	1.7
106.06539	0.4
107.02467	0.4
107.04955	0.6
107.07369	0.4
108.04509	0.7
109.02897	0.6
109.05167	1.3
109.06513	4.8
109.07676	0.4
109.10150	0.9
110.03477	0.6
111.53641	0.7
114.04008	0.5
115.02399	0.7
116.07133	0.8
116.98606	0.6
117.07436	1.1
118.03517	2.0
118.06895	0.5
119.01920	82.4
119.04938	57.0
119.08580	0.7
120.02009	2.8
120.05338	1.4
120.08092	1.7
121.05115	1.3
121.06535	2.3
121.07366	0.3
121.97571	2.4
122.06014	1.0
123.04424	100.0
123.11686	0.4
124.02444	1.5
124.04967	3.3
124.93900	1.2
128.04579	1.8
130.08640	1.3
131.01888	1.7
132.05038	0.6
133.03343	1.4
134.03581	2.7
134.04433	0.5
134.05881	0.4
134.92532	0.4
134.99640	0.4
135.05064	0.8
135.06694	0.8
136.06192	2.7
136.07530	0.7
137.02956	47.1
137.05972	3.3
137.07001	0.6
137.09554	0.6
138.03072	2.0
138.05510	0.6
138.09163	0.4
142.03497	41.4
142.06013	0.9
142.94936	1.3
142.96617	0.4
143.01927	0.5
143.03619	2.1
144.05096	0.4
146.99641	0.4
147.03207	0.7
147.04413	14.8
147.05518	1.4
148.05013	0.7
148.06200	2.8
148.07573	1.2
149.02980	0.5
149.04597	1.9
151.06259	0.4
153.04063	2.8
156.05025	0.4
157.03476	0.4
158.96318	0.4
159.05011	0.5
160.04550	21.6
160.96002	3.7
160.97435	0.6
161.01254	0.4
161.01579	0.4
161.02975	3.5
161.04660	1.4
165.01836	0.6
165.05283	4.2
165.06610	1.5
165.07719	1.3
165.10255	0.8
166.04985	1.5
166.07272	29.6
166.08627	5.0
167.05646	15.8
173.01233	0.9
179.04030	1.3
183.01601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.01576	0.2
51.02366	0.4
53.03941	1.9
53.39927	0.2
55.01864	1.4
55.05510	1.6
57.03418	0.2
65.03939	0.4
67.05496	1.5
68.99821	0.2
69.03429	1.4
69.06716	0.3
69.07066	2.9
69.24649	0.4
69.25055	2.0
71.04948	0.3
72.08141	0.4
77.03933	0.6
79.05491	9.3
79.05957	0.5
80.05012	0.4
81.03393	0.6
81.04539	0.2
81.07054	4.2
82.09987	0.2
83.04967	0.9
84.08122	0.7
89.03403	0.2
89.03926	1.2
91.05478	5.6
92.02622	0.5
92.05811	0.2
93.07043	9.0
93.07630	0.5
94.07381	0.3
95.04967	5.8
95.06061	0.3
95.08602	1.0
96.06876	0.3
100.07600	0.3
103.05462	10.8
104.05784	0.4
105.03410	1.0
105.04522	1.0
105.05182	0.2
105.07029	6.1
106.06535	0.5
107.04955	8.3
107.08594	7.1
108.05558	0.2
109.06498	1.2
109.07618	0.3
115.05450	0.9
117.03358	0.8
117.05736	0.4
117.07012	5.9
118.06510	0.3
118.07335	0.2
119.04926	0.6
119.08581	3.5
120.05631	0.2
120.08099	0.5
121.06508	2.8
121.10137	4.2
122.07159	1.0
123.08016	0.4
127.07555	0.7
127.42047	0.2
129.06999	0.5
130.06543	1.2
130.07776	2.5
131.04927	10.9
132.05220	0.4
132.08075	1.2
133.02855	3.4
133.06503	4.0
133.07524	0.2
133.10150	0.4
135.04413	5.0
135.07114	0.3
135.08061	3.9
135.11684	2.3
136.04803	0.3
136.07564	0.4
136.08633	0.6
139.80649	0.2
143.08543	0.8
145.02841	0.6
145.06479	0.5
145.10117	12.1
146.07158	0.5
146.10477	0.6
147.08037	5.2
148.08829	16.3
149.09186	0.9
163.03908	11.9
163.07574	3.8
163.11168	100.0
164.04295	0.6
164.11537	4.4
164.12926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02365	1.5
53.03944	12.4
53.96651	0.6
55.01873	4.0
55.05512	10.3
57.07064	2.3
63.02374	0.8
65.03927	2.7
67.05502	31.1
69.07063	12.8
70.10706	3.6
76.34097	0.6
77.03907	2.6
79.05490	84.0
80.05005	1.1
80.05817	1.8
81.03420	1.9
81.07053	41.7
82.07381	1.2
83.04991	1.1
83.08611	7.4
89.03918	1.7
91.04895	1.0
91.05477	28.9
92.02635	5.4
93.07040	74.9
94.07354	2.0
95.04965	33.8
95.08603	39.1
96.05283	1.3
97.06542	1.5
97.10140	1.4
98.04950	0.7
98.20822	1.2
100.02483	0.8
103.05468	2.6
105.03397	8.1
105.04501	5.9
105.07020	9.3
106.06538	1.3
106.07259	0.7
107.04932	5.9
107.08591	65.3
108.08901	2.0
109.06516	1.9
109.10140	2.8
115.05447	1.2
116.04207	0.7
117.03448	0.8
117.04481	0.8
117.05740	1.9
117.07019	8.1
118.03513	1.1
118.06565	0.9
119.04937	1.1
119.08582	13.5
120.08028	0.8
121.06489	2.9
121.10139	63.9
122.10476	2.3
123.08073	0.9
129.23254	0.7
130.06517	3.1
130.07765	2.6
131.04922	1.7
132.08076	4.4
133.02847	32.6
133.10077	0.9
134.03140	1.8
135.04410	35.3
135.08000	3.3
135.11679	14.9
136.04762	1.8
136.12030	0.8
138.03079	1.5
143.83492	0.9
145.02882	1.2
145.06464	1.1
145.10106	8.9
163.03897	100.0
163.07538	3.1
163.11154	20.1
163.12334	1.9
163.14819	31.8
164.04311	5.8
164.06987	2.0
164.11650	1.3
164.15233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02379	0.8
53.03941	2.6
55.01863	1.2
55.05499	1.6
57.03416	0.5
65.03935	0.6
67.05495	1.1
69.03423	3.6
69.07051	1.8
69.70412	2.8
71.04990	0.7
77.03917	1.0
79.05489	7.7
80.05011	0.5
81.03406	0.7
81.07054	6.8
83.04977	0.9
84.08149	0.6
89.03915	2.9
91.05478	8.6
92.02592	0.8
93.07038	11.2
95.04958	8.4
95.08576	1.0
97.26982	0.4
100.07620	0.5
103.05461	100.0
104.05765	2.7
105.03373	0.7
105.04516	0.9
105.07030	11.2
106.06576	0.9
106.07317	0.5
107.04942	6.0
107.06083	0.5
107.08591	15.0
109.06526	1.0
115.05448	1.6
117.03367	2.2
117.05801	0.6
117.06148	0.4
117.07019	5.1
119.04920	0.5
119.08573	5.2
120.05676	0.7
121.02821	0.4
121.06506	4.1
121.10136	10.9
122.07212	0.7
123.07960	1.0
128.06169	0.4
129.07014	0.9
130.06506	1.2
130.07770	4.5
131.04921	93.4
132.05240	3.1
132.08076	1.2
133.02866	2.9
133.06454	1.3
133.10115	0.7
135.04416	6.9
135.08022	2.1
135.11684	7.0
137.05975	0.7
143.08534	0.9
145.02832	1.6
145.06439	0.6
145.10114	12.3
147.08040	1.0
148.05196	0.7
148.08835	1.3
156.47514	0.4
163.03900	12.8
163.05249	0.8
163.07541	21.3
163.09825	1.3
163.11157	20.1
163.12511	1.0
163.14790	0.5
164.04393	0.9
164.08098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
50.01603	0.9
51.02365	2.0
51.71054	0.6
53.03946	11.2
55.01867	5.3
55.05506	3.8
57.03413	1.3
57.07044	0.7
64.55824	0.6
65.03947	1.4
67.05499	22.7
69.03404	1.9
69.07072	4.5
71.04985	0.7
71.58905	0.9
77.03917	2.9
79.05489	49.2
80.05029	0.6
80.05800	1.2
81.03417	12.4
81.07048	15.5
83.04977	2.8
85.06539	0.8
89.03893	1.2
91.05476	26.8
92.02621	7.0
92.05797	0.7
93.07037	36.2
95.04961	37.4
95.08600	6.0
96.05278	1.1
97.06522	6.3
100.02466	1.8
103.05457	3.2
105.03386	7.0
105.04497	6.0
105.07020	11.3
106.06528	2.2
107.04295	0.9
107.04959	12.0
107.07864	1.3
107.08588	25.1
109.06496	2.8
115.05436	2.7
117.03360	0.9
117.05735	1.4
117.07018	13.0
118.03503	1.2
119.04969	1.5
119.08575	19.4
120.05699	0.6
120.08124	0.8
120.08953	0.6
121.06535	7.9
121.10126	13.2
122.09644	0.8
130.06502	4.6
130.07762	2.9
131.04906	2.3
132.08067	3.6
133.02846	31.1
133.06473	0.8
133.10098	1.8
134.03168	1.3
134.07384	0.7
135.04408	40.4
135.08060	5.3
135.11678	17.1
135.12709	1.0
136.04738	1.0
138.03085	2.0
138.15446	0.6
143.08554	1.0
145.02878	1.2
145.03934	0.7
145.06467	1.2
145.10110	20.9
146.08333	0.6
147.07967	0.7
148.08833	0.8
161.09595	0.8
163.03897	100.0
163.07489	3.4
163.11163	56.6
163.12285	2.8
163.14763	3.0
164.04338	5.4
164.11545	1.8
166.38446	0.6
169.42059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0867
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
51.02367	0.3
53.03951	1.5
54.03488	0.3
55.01860	0.6
55.05496	0.4
56.05029	0.5
56.96566	2.0
57.03434	0.5
57.07067	0.3
58.99593	0.2
60.04520	0.3
60.95852	0.2
63.02370	0.3
63.92944	14.8
65.03922	0.6
67.05503	0.5
67.06053	0.2
68.01349	0.2
68.05021	0.6
68.99792	0.2
69.03427	1.1
69.07056	0.5
70.06592	1.2
71.48786	0.4
72.08158	0.3
73.02906	0.4
74.06091	0.3
77.03939	0.6
78.95278	23.5
79.05054	0.4
79.05495	4.6
80.05006	1.7
80.93207	0.2
81.03403	0.6
81.04549	0.8
81.07047	0.7
81.93980	2.9
82.05338	0.5
82.06561	0.4
82.34374	0.2
83.04958	0.3
83.06107	0.5
84.04501	0.4
84.08134	1.8
85.02901	1.4
86.06060	0.3
89.03404	0.4
89.03915	5.1
90.04240	0.3
91.05484	3.0
92.02628	1.1
92.04505	0.3
92.04982	1.5
93.04512	0.3
93.07067	1.0
94.06563	0.7
95.04970	5.4
95.06073	1.9
95.08615	0.6
96.06889	0.5
96.96314	4.9
97.02886	0.4
97.07697	0.5
103.05470	8.8
104.05753	0.3
104.12561	0.2
105.03381	1.2
105.04497	1.2
105.07013	1.1
106.06558	1.9
107.04955	4.0
107.06084	1.3
107.08593	1.8
108.04465	0.3
108.05618	0.4
108.08073	0.3
109.07635	0.6
110.07183	0.4
112.07609	0.4
115.05453	0.9
117.03383	3.4
117.05783	1.8
117.06998	1.1
118.03652	0.2
118.06547	3.5
119.04918	0.5
119.06098	1.4
119.08601	0.4
119.97892	12.3
120.01987	0.2
120.05602	0.4
120.08092	1.0
120.97893	0.3
121.00850	0.2
121.01691	0.6
121.02966	0.2
121.06492	1.0
121.07646	0.6
121.10140	0.9
121.95813	0.6
122.05984	0.2
122.06360	0.2
122.07164	1.7
122.94212	8.2
123.07977	1.1
130.06538	4.0
131.04927	8.3
132.06990	0.3
132.08093	3.7
133.02858	5.9
133.07616	21.2
134.07951	0.6
135.04419	13.2
135.08031	1.5
135.08986	0.3
135.11682	0.5
136.04817	0.5
136.07585	1.0
136.08693	1.4
137.07121	0.3
138.03099	0.3
138.98929	0.5
139.01813	0.8
140.95250	6.3
145.02843	2.2
145.03952	0.5
145.06561	0.9
145.07607	20.3
145.09984	0.6
146.02356	0.4
146.06046	0.4
146.07072	0.4
146.08313	2.2
146.09526	0.4
147.04440	0.3
158.96315	18.1
163.03922	21.8
163.08665	100.0
163.12262	3.6
163.96843	2.6
164.03262	0.4
164.04292	0.9
164.07083	0.7
164.09097	3.4
164.10617	0.4
176.04007	0.3
176.97322	1.5
181.02853	1.2
181.97920	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02380	0.5
53.03939	2.8
55.01866	1.5
55.05498	1.3
55.14290	0.3
56.05023	0.4
57.03462	0.4
57.07067	0.7
62.99162	0.3
63.07281	0.3
65.03931	1.0
67.05490	1.3
68.05021	0.3
68.99818	0.3
69.03423	0.8
69.07050	1.5
71.25085	0.7
72.13789	0.3
76.23997	0.3
77.03931	1.1
79.05490	8.0
80.04990	0.4
81.03416	0.7
81.04520	0.7
81.07054	3.6
82.05299	0.4
84.08138	0.6
85.02878	0.5
88.69609	0.3
88.71931	0.3
89.03927	2.0
89.06001	0.3
91.05473	7.2
92.02598	0.8
92.06265	0.4
93.04506	0.3
93.07040	6.7
95.04961	7.3
95.06082	0.8
95.08603	1.5
96.06921	0.4
102.04662	0.4
103.05458	100.0
104.05797	3.3
104.06411	0.4
105.03383	1.3
105.04514	1.2
105.07012	4.3
106.06530	0.4
107.04942	6.7
107.06071	0.4
107.08592	8.4
108.05588	0.7
109.06505	0.8
115.05412	1.4
117.03387	1.4
117.05758	0.6
117.07011	3.4
118.06537	0.3
119.04956	1.1
119.08569	2.5
120.05701	0.8
121.06513	1.5
121.10134	4.8
122.07157	0.8
123.07911	0.7
126.05515	0.3
127.07544	0.6
130.06572	1.4
130.07777	1.2
131.04916	99.3
132.05226	4.2
132.08073	1.5
133.02840	3.9
133.06502	0.7
135.04399	7.6
135.08043	3.0
135.11656	1.8
136.07573	6.7
136.08649	0.7
137.18393	0.3
140.07080	0.4
143.08614	0.4
145.02808	1.0
145.03877	0.4
145.06451	0.7
145.10109	5.1
147.04414	0.5
147.08020	0.5
148.05194	1.8
148.08789	1.4
154.58757	0.3
163.03899	14.1
163.07533	32.6
163.09778	1.8
163.11180	12.9
163.14832	1.0
164.04373	0.5
164.06979	1.2
164.07994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01577	0.3
51.02365	0.4
53.03949	1.6
55.01873	0.5
55.05502	0.6
55.19693	0.2
58.99598	0.4
60.99144	0.4
65.03948	0.3
67.00844	0.3
67.05508	0.5
68.05045	0.3
69.03417	0.7
69.07060	1.2
70.06586	0.3
70.97314	0.6
70.97654	0.4
72.08152	0.5
77.03934	0.8
79.05499	3.4
80.05008	0.4
81.03424	0.7
81.04543	0.5
81.07034	0.9
84.08117	0.3
87.99359	0.5
89.03915	5.1
91.05485	3.0
92.02625	0.7
93.07030	1.8
95.04965	4.1
95.06071	0.8
95.08603	0.7
99.58435	0.3
100.07622	0.7
102.04681	0.5
103.05462	94.3
104.05784	3.7
105.03381	1.0
105.04514	1.0
105.07018	2.0
106.06527	0.7
107.04944	4.0
107.06085	0.3
107.08586	2.9
108.05581	0.3
115.05464	0.4
117.02056	0.3
117.03367	3.4
117.05766	0.6
117.07008	1.6
118.06551	0.4
119.04911	0.5
119.06063	0.4
119.08537	0.6
120.02058	0.3
120.05629	0.5
120.08065	0.3
121.06477	0.8
121.10181	1.4
122.07141	1.0
123.07943	0.6
130.06549	0.6
130.07777	0.7
131.04921	100.0
132.05238	3.8
132.08080	1.1
133.02866	2.5
135.04411	9.4
135.08044	1.3
135.11693	1.1
136.04846	0.3
136.07637	0.3
136.08690	0.9
139.01785	0.3
143.08423	0.3
145.02884	2.1
145.10107	1.2
146.07072	0.5
147.04424	0.6
148.05148	0.4
163.03900	12.1
163.07535	35.5
163.09764	1.6
163.11057	2.8
163.12302	0.7
164.04340	0.7
164.07878	1.1
181.02914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02373	0.7
53.03949	2.1
55.01867	0.9
55.05518	0.7
57.99930	0.3
64.18684	0.3
65.62863	0.4
67.05533	0.6
69.03436	1.2
69.07038	0.5
71.09661	0.8
71.09989	0.5
73.71803	0.4
77.03909	0.6
79.05494	4.8
81.07043	0.9
82.05338	0.5
85.02892	0.5
89.03915	1.4
91.05480	3.8
92.02610	0.7
93.07033	3.6
95.04964	6.4
95.06089	1.3
95.08632	0.7
102.66776	0.4
103.05461	100.0
104.05792	3.4
105.03403	1.8
105.04490	0.8
105.07018	4.4
106.06563	0.6
107.04948	7.7
107.08592	6.9
108.05566	0.5
109.07633	0.5
115.05460	1.2
117.03394	1.1
117.06998	2.0
119.04939	1.2
119.08575	2.0
120.05727	0.7
121.06496	0.8
121.10104	2.3
122.07142	0.9
130.06528	0.8
130.07782	1.1
131.04922	99.4
132.05214	4.2
132.08061	0.6
133.02846	4.3
133.06454	0.4
135.04404	5.9
135.08009	2.6
135.11649	2.6
136.07588	1.1
136.08632	0.6
137.05969	1.0
145.02812	0.9
145.10091	2.3
146.07045	0.5
147.04366	0.6
148.05182	2.3
163.03899	12.7
163.07535	29.2
163.09776	1.1
163.11180	6.3
163.12302	0.6
163.14748	0.4
164.07933	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01590	0.2
50.83671	0.2
51.02383	0.5
51.69846	0.1
52.22417	0.1
53.03947	1.5
53.19078	0.2
54.03466	0.3
55.01872	0.6
55.05511	0.5
56.05034	0.4
56.93254	0.2
56.96559	0.2
57.02518	0.2
57.07068	0.2
58.06594	0.3
63.02383	0.3
65.03944	0.5
67.05510	0.7
68.05032	0.7
68.99418	0.2
68.99789	0.4
69.03430	0.7
69.07079	0.9
69.55527	0.7
69.55945	0.5
70.06605	0.3
72.08142	0.4
77.03902	1.0
78.95266	0.2
79.05493	6.7
80.05016	0.7
81.03394	0.6
81.04528	0.9
81.07052	1.3
82.05331	0.4
82.06593	0.3
83.04958	0.2
83.06096	0.4
83.08615	0.2
84.08128	0.7
85.02902	0.3
89.03916	6.1
90.04221	0.2
91.05477	4.6
92.02611	1.2
92.05835	0.2
93.04503	0.4
93.07043	3.3
94.06546	0.3
95.04965	7.9
95.06037	1.4
95.08613	0.9
96.05309	0.2
96.06870	0.6
97.07668	0.4
100.07603	0.4
102.04679	2.2
103.05467	100.0
104.05805	3.4
105.03414	1.6
105.04501	2.1
105.07025	3.4
106.05356	0.2
106.06556	1.1
106.07309	0.3
107.04955	5.6
107.06033	0.9
107.07841	0.3
107.08594	4.4
108.04543	0.2
108.05645	0.9
109.06490	0.5
109.07635	0.6
112.11282	0.2
115.05451	1.5
117.03381	3.4
117.05766	1.1
117.07018	3.1
117.07833	0.2
118.06517	0.5
118.07320	0.2
119.04990	0.8
119.06056	0.5
119.08586	1.3
119.97886	0.2
120.02144	0.2
120.05644	0.7
120.08105	0.4
121.02975	0.3
121.03893	0.2
121.06497	1.4
121.10147	2.1
122.06248	0.2
122.07155	1.9
123.07951	1.3
128.77538	0.2
130.04155	2.9
130.06526	2.2
130.07742	0.4
131.04927	90.6
132.05241	3.7
132.08080	2.4
133.02850	6.0
133.06503	0.3
135.04416	16.5
135.08026	2.0
135.11685	0.9
136.04770	0.7
136.07576	1.3
136.08688	1.5
138.03156	0.4
139.01830	0.3
143.74893	0.2
145.02872	2.3
145.03915	0.3
145.06467	1.3
145.10130	1.7
146.06015	0.5
146.07137	0.7
147.04410	0.4
147.08037	0.2
148.05191	8.0
158.96257	0.3
163.03905	25.6
163.07539	22.5
163.09773	2.9
163.11174	3.2
163.12331	0.9
163.14771	1.2
164.03192	0.3
164.04437	1.0
164.07065	0.7
164.08092	0.6
164.09203	0.2
181.02850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0549
Annotation	Jineol
Peak:m/z	Relative Intensity
53.03944	2.6
53.68718	0.5
54.20640	0.5
55.01881	0.8
55.05510	0.6
56.05046	1.8
56.96569	1.9
57.03435	0.5
58.06594	1.1
58.99583	0.9
60.04534	1.8
61.92864	1.4
63.02386	0.6
65.03935	5.0
67.05518	1.0
68.05025	1.3
69.03426	0.5
70.02911	0.5
70.06602	1.4
71.57006	0.6
72.04507	0.6
72.08173	0.6
74.06090	2.6
77.03935	0.6
78.99808	0.6
79.05493	13.7
80.05020	1.4
81.03419	0.7
81.04546	0.9
81.07063	1.0
83.06093	0.8
83.23891	0.6
84.04529	1.6
84.08145	1.2
85.02918	0.8
86.06104	0.7
89.03915	12.1
91.05482	6.0
92.02627	1.4
92.05018	1.5
93.03428	0.9
93.04530	0.7
93.07037	1.1
95.04964	8.6
95.06069	1.2
96.04540	0.7
97.00817	0.6
97.02931	0.7
98.06036	1.1
100.07638	1.0
102.05552	1.9
103.05475	3.9
105.03423	2.6
105.04520	1.8
105.07047	2.3
106.06558	25.4
106.07328	1.6
107.04953	14.7
107.06123	1.3
107.06866	0.8
107.08607	1.2
108.04455	0.5
111.04440	5.1
115.05464	1.5
116.04972	18.1
116.07069	0.8
117.03393	4.9
117.05733	2.2
117.07018	2.4
118.06535	2.0
119.03573	1.5
119.04961	1.4
119.08559	0.9
120.02029	0.7
120.04464	3.1
120.06568	1.3
120.08100	1.7
120.08906	1.0
120.96508	3.6
120.97881	0.8
121.06422	1.1
122.07147	1.1
123.07983	1.3
130.06517	1.4
131.04919	4.2
132.08102	1.7
133.02849	7.8
133.05241	3.3
134.06012	91.3
135.04417	29.4
135.05429	1.3
135.06291	2.8
135.08035	1.1
136.08720	1.3
137.04695	0.6
138.03171	0.9
138.98918	1.1
139.01796	2.1
144.04446	23.6
144.05478	1.3
144.08026	0.5
145.02834	1.7
145.03859	0.8
145.04926	1.1
145.06462	1.2
145.09761	1.0
146.07048	0.7
147.08005	0.6
156.96185	1.0
162.05493	100.0
162.08965	4.5
162.12546	0.9
163.03900	35.8
163.06015	1.7
163.07552	2.8
163.09801	1.6
163.11159	1.6
163.12375	0.9
180.04405	1.2
180.77522	0.6
181.02864	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03938	2.3
55.05508	4.8
56.96559	1.3
60.95842	1.1
64.63193	0.5
65.03933	1.9
67.05501	27.2
69.03422	1.3
69.07061	6.4
70.03276	2.7
78.73164	0.5
78.93137	0.9
79.05489	42.4
80.05838	0.8
81.03432	0.7
81.07053	34.3
82.07406	0.6
83.08601	1.3
89.06985	0.5
91.05476	100.0
92.05812	1.8
93.07036	22.6
95.04970	4.5
95.08602	15.6
95.09100	0.4
96.08950	0.6
98.21414	0.8
103.05445	3.0
105.03403	0.6
105.07024	75.3
106.07368	2.1
107.08584	5.8
108.71266	0.5
109.06494	0.7
115.05433	3.8
117.07011	28.8
118.04147	0.7
118.07290	0.8
119.08573	64.0
120.08837	1.2
121.06490	4.0
128.06212	5.7
131.04922	0.8
131.08562	5.6
132.09344	0.8
133.06502	3.6
133.10121	41.0
134.05980	0.6
134.10483	1.8
141.93437	0.5
143.08549	8.8
145.06483	1.5
146.03558	0.7
146.07254	6.8
159.11713	3.1
161.05983	2.0
161.09610	47.1
161.13245	75.4
162.05424	0.8
162.10048	2.4
162.13589	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03942	0.9
53.15415	0.2
54.46251	0.2
55.01874	0.3
55.05509	6.5
58.99587	0.4
61.61462	0.2
61.81931	0.2
65.03931	0.5
67.05494	0.5
68.29531	0.2
69.03409	0.2
69.07065	3.5
69.94656	1.0
73.16457	0.2
79.05486	3.6
81.07047	1.3
83.79536	0.2
90.04710	0.3
91.05473	9.6
93.04526	0.2
93.07036	1.8
95.04966	0.7
97.25451	0.2
98.20808	0.3
100.07616	0.2
103.05455	3.0
104.06255	0.8
105.07025	25.5
106.07350	0.7
107.04926	0.2
107.06067	0.3
107.08595	1.7
109.06492	0.2
115.05453	3.0
117.07012	3.1
118.04131	1.3
118.07803	0.4
119.08573	100.0
120.05607	0.2
120.08053	0.2
120.08860	3.0
121.06361	0.3
121.10139	3.9
124.60578	0.2
127.54803	0.2
128.06212	0.4
130.07768	0.2
131.04938	0.3
131.08563	3.5
132.05699	0.2
132.09264	0.3
133.06474	3.1
133.10121	20.5
134.07037	0.3
134.10460	0.6
143.06044	0.2
143.08539	0.4
144.08124	0.3
144.09273	0.4
145.10141	0.5
146.03664	0.4
146.07260	0.3
146.10855	1.5
158.37605	0.2
159.11716	1.5
161.05963	1.5
161.09630	2.2
161.13246	22.4
162.05467	0.2
162.13594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21848	0.5
53.03942	2.4
55.01871	4.8
55.05510	5.8
56.05019	0.8
58.99584	2.2
59.06124	0.8
60.04538	0.7
60.05656	3.8
60.05912	0.6
65.03956	0.9
66.04725	1.0
67.05501	2.5
69.03429	4.6
69.07051	1.8
70.06606	1.7
70.30694	2.5
72.04520	0.7
72.08154	8.8
73.02960	0.5
73.08501	0.7
74.06082	0.6
77.03937	0.9
79.05491	16.8
81.03370	0.7
81.07047	1.8
84.04487	0.9
84.08134	1.7
85.02900	0.9
86.05997	0.6
86.99028	0.7
89.03912	0.9
90.04692	2.0
91.05479	14.2
91.57809	0.5
91.87174	0.5
92.05840	0.6
93.07048	4.0
95.04966	5.0
95.08598	0.6
97.07654	1.3
97.08487	0.7
98.06091	0.8
100.07614	4.9
102.04652	0.9
102.05566	0.6
103.04788	1.2
103.05467	17.6
103.14959	0.6
104.05771	0.8
105.03402	1.5
105.07029	100.0
106.06617	0.9
106.07332	4.3
107.04958	6.6
107.08562	0.9
110.09631	0.9
113.02402	0.6
114.10311	3.0
115.05447	18.5
116.01682	1.6
116.05714	0.9
117.06991	3.9
118.04153	11.4
118.06509	0.8
118.07802	1.5
119.01941	0.7
119.04937	1.1
119.08582	22.8
120.05579	1.5
120.08115	0.8
120.08911	0.8
120.96522	0.7
121.06479	10.9
128.06226	13.6
129.06523	0.6
131.04918	7.5
131.08551	4.6
131.12949	1.6
132.05684	2.3
133.06496	26.8
133.10126	48.8
134.06004	1.1
134.07043	2.5
134.10504	1.6
143.05037	0.6
143.06039	1.8
143.08559	17.1
145.06479	5.2
146.03589	2.1
146.07266	27.1
147.04420	0.7
147.06801	0.8
147.07997	3.7
161.05994	8.3
161.09608	85.3
161.13223	6.7
162.05493	2.3
162.06673	0.8
162.10165	3.3
166.15881	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01862	0.9
55.05503	1.7
58.55056	0.4
58.55386	0.5
61.99123	0.4
67.05508	2.1
69.03425	8.4
69.07088	1.0
69.61129	1.7
69.61559	1.4
78.93110	0.7
79.05486	5.1
81.07062	2.7
91.05478	14.8
93.07037	6.2
93.98032	0.5
95.04949	1.4
95.05563	0.4
95.08590	1.5
98.20754	0.8
103.05466	2.6
105.03405	0.5
105.07024	57.7
106.07333	1.7
107.04943	2.7
107.08559	0.9
112.03897	0.4
115.05450	2.7
116.06225	1.1
117.06989	3.6
118.04192	1.0
119.04922	0.7
119.08573	15.5
119.28532	0.5
121.06494	17.8
122.06815	0.8
123.73363	0.5
128.06216	8.7
131.04007	0.7
131.04921	5.3
131.08554	3.2
132.05684	1.9
133.06493	5.1
133.10124	32.3
134.10490	0.9
137.96725	0.5
141.06970	0.6
143.08548	9.0
145.06493	4.7
146.03636	1.2
146.07254	32.2
146.70967	0.5
147.07619	1.2
159.08063	1.3
161.06070	2.8
161.09607	100.0
161.13223	9.2
162.05487	1.7
162.10030	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02386	0.6
51.91356	0.2
53.03945	1.7
55.01627	0.3
55.01871	4.3
55.05507	1.6
56.05029	0.4
57.25904	0.2
58.06598	0.4
58.99587	1.3
59.22511	0.2
60.04528	0.4
63.02376	0.2
65.03933	0.8
66.04720	2.1
66.41321	0.2
67.05498	1.2
69.03423	1.0
69.07057	0.7
70.05190	0.7
70.06600	0.4
72.04495	0.2
72.08150	2.2
73.02910	0.4
74.06073	0.2
77.03925	0.8
79.05489	22.3
80.05811	0.4
81.03398	0.3
81.07052	0.8
84.04494	0.3
84.08138	0.9
86.99049	0.7
88.02219	0.3
89.03909	1.6
90.04692	3.8
91.05482	6.3
92.02622	1.0
92.05806	0.2
93.07056	1.1
94.04166	0.4
95.04965	7.2
97.02879	0.2
98.09703	0.3
99.19717	0.2
100.07591	1.0
102.04675	1.0
102.05417	0.3
103.05462	27.8
104.05789	0.7
105.03385	0.6
105.04619	1.2
105.07026	100.0
106.07352	2.7
107.04943	1.9
107.06057	0.3
110.09705	0.4
112.11250	0.3
114.10286	0.4
115.05449	29.6
116.01671	1.0
116.05042	0.3
116.05784	0.9
117.06995	0.9
118.04155	20.6
119.04458	0.4
119.06818	0.2
119.08572	4.3
120.05566	0.6
120.08112	0.4
120.96516	0.2
121.06445	1.7
122.03661	0.3
128.06213	2.6
131.04921	6.0
131.08578	1.3
132.05725	1.3
133.06485	45.5
133.10110	7.6
134.03644	0.4
134.06000	0.2
134.06934	1.5
143.04922	0.5
143.06018	4.0
143.08548	2.9
144.05612	0.2
144.07979	0.3
145.06477	0.6
146.03650	1.1
146.07266	3.8
147.08015	0.4
149.06030	0.4
161.04836	0.2
161.05974	8.4
161.08276	0.7
161.09604	13.7
161.13261	2.4
162.05379	1.6
162.08987	0.4
162.10147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02384	0.5
53.03941	2.7
53.78986	0.2
55.01870	5.0
55.05514	2.0
56.05015	0.2
58.99578	0.2
63.02389	0.2
65.03938	0.9
66.04729	1.8
67.05502	0.9
69.03406	0.4
69.07063	1.0
70.06568	0.3
71.57564	0.3
71.57920	0.4
72.04515	0.6
72.08144	0.6
74.06075	0.3
77.03941	0.8
79.05490	23.1
80.05829	0.4
81.03423	0.6
81.07067	1.4
84.08141	0.5
84.53717	0.3
89.03907	1.7
89.87206	0.3
90.04695	4.6
91.05478	7.4
92.02618	0.9
93.04528	0.4
93.07052	1.0
94.04179	0.5
95.04968	6.3
95.08582	0.4
97.02872	0.3
100.07618	0.7
102.04684	0.7
103.05466	27.8
104.05801	1.0
105.04540	1.1
105.07026	100.0
106.06636	0.5
106.07353	3.3
106.77457	0.3
107.04940	1.3
107.08563	0.6
108.05739	0.3
115.05451	30.4
116.05793	0.9
117.07010	0.9
118.04158	20.3
119.04489	0.4
119.08576	13.0
120.05643	0.4
121.06411	1.3
128.06206	0.9
131.04924	4.9
131.08548	1.3
132.05713	1.5
133.06488	43.2
133.10117	6.0
134.06827	1.8
143.04953	0.6
143.06042	3.4
143.08537	1.1
145.06415	0.4
146.03600	2.0
146.07280	0.8
146.10988	0.3
147.04356	0.3
149.05981	0.3
159.11626	0.4
161.05971	10.3
161.07022	0.4
161.08224	0.8
161.09631	4.5
161.13266	5.1
162.06485	0.4
162.07707	0.4
162.09059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02376	0.5
53.03949	2.2
55.01872	4.6
55.05499	0.6
58.97305	0.2
60.16364	0.2
65.02316	0.3
65.03939	0.3
66.04712	1.0
67.05497	0.4
69.70728	0.5
69.71134	1.2
77.03913	1.0
79.05492	21.8
80.05821	0.4
81.03371	0.3
89.03915	1.3
90.04694	2.5
91.04961	0.5
91.05477	4.9
92.02634	0.4
93.04504	0.3
93.07074	0.6
94.04182	0.7
95.04964	6.7
102.04669	0.8
103.05466	23.7
104.05775	0.5
105.04606	1.4
105.07029	100.0
106.07361	3.1
107.04933	1.1
107.08591	0.3
111.45071	0.3
115.05451	29.7
116.05785	0.8
117.06975	0.7
118.04158	11.5
119.04996	0.3
119.08589	3.3
120.05615	0.3
121.06432	0.7
128.06242	0.7
130.04123	0.4
131.04922	4.5
131.08563	0.5
132.05710	1.6
133.06490	38.2
133.10114	2.9
134.06856	1.4
143.04924	0.4
143.06029	5.0
143.08554	0.8
144.06488	0.3
146.03648	1.8
146.07268	0.5
147.04420	1.1
161.05984	9.3
161.07204	0.7
161.08235	0.5
161.09619	3.4
161.13245	1.7
162.06577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02385	0.5
52.64325	0.3
53.03944	2.1
55.01871	5.5
55.05500	1.5
58.99577	1.4
63.02383	0.4
65.03930	1.1
66.04726	1.9
67.05518	0.4
69.07063	0.7
70.87247	1.1
72.08173	0.4
77.03918	1.1
78.04681	0.5
79.05491	22.5
80.05818	0.4
81.07048	0.9
86.99026	0.6
89.03906	1.5
90.04147	0.5
90.04697	4.4
91.05480	6.8
92.02624	0.9
93.07024	0.8
94.09431	0.3
95.04966	6.0
102.04694	1.3
103.05468	25.3
104.05751	0.5
105.03397	1.3
105.04592	1.5
105.07027	100.0
106.07343	2.9
107.04944	1.3
107.08576	0.4
107.66699	0.3
115.05451	30.6
116.01671	1.3
116.05772	0.7
117.07018	1.2
118.04161	20.0
119.04527	0.3
119.08572	15.2
120.05580	0.4
121.00484	0.3
121.06415	0.9
121.08855	0.3
121.10146	0.4
128.06239	0.5
131.04924	4.7
131.08559	1.0
132.05690	1.4
133.06491	44.0
133.10121	6.0
134.03645	0.6
134.06915	0.9
143.05019	0.6
143.06038	3.9
143.08551	0.6
146.03575	1.8
146.07231	0.6
149.05902	0.4
153.39719	0.3
161.02444	0.3
161.05977	8.7
161.07220	0.5
161.08228	0.7
161.09561	3.4
161.13261	4.7
162.05403	0.6
162.07625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02371	0.7
53.03942	2.6
55.01873	3.9
55.05512	3.4
56.05022	0.4
57.07079	0.4
58.06607	0.4
58.99570	0.6
65.03938	0.5
66.04727	1.7
67.05515	1.9
67.20921	0.3
69.03434	0.8
69.07072	1.7
70.06587	0.7
70.72345	1.1
72.04505	0.7
72.08163	2.2
77.03925	0.9
79.05492	22.0
81.03419	0.9
81.07063	1.9
82.06595	0.3
84.04514	0.5
84.08138	1.7
89.03905	1.6
90.04697	4.3
91.04969	0.6
91.05484	8.0
92.02630	0.7
93.04509	0.5
93.07044	1.4
95.04967	7.2
95.08571	0.5
96.05349	0.4
97.02903	0.4
98.09750	0.4
100.07619	1.1
102.04731	0.8
103.05468	25.5
104.05744	0.7
105.04511	1.1
105.07028	100.0
106.07373	3.2
107.04946	1.5
107.08576	0.7
109.10178	0.3
110.09685	0.5
112.60465	0.4
115.05455	27.7
116.01643	0.5
116.05017	0.6
116.05758	0.7
117.07026	1.3
118.04162	19.1
119.04961	0.4
119.08572	8.7
120.05615	0.8
121.06402	1.3
128.06219	1.4
131.04927	5.1
131.08572	1.3
132.05702	1.4
133.06491	40.5
133.10120	5.7
134.06938	1.5
143.06012	4.0
143.08554	1.8
144.06566	0.5
146.03606	3.0
146.07248	1.2
146.10446	1.0
161.05974	9.9
161.08214	1.1
161.09630	7.3
161.10919	0.5
161.13272	4.5
162.05450	0.5
175.26657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02391	0.6
51.45829	0.3
53.03945	2.4
55.01628	0.3
55.01875	5.1
55.05504	0.9
56.96560	0.3
58.99584	0.5
60.98388	0.2
62.11072	0.3
65.03942	0.5
66.04719	1.3
69.03427	0.6
69.07083	0.4
69.41338	2.7
72.08154	0.6
77.03930	1.0
79.05494	22.5
80.05811	0.6
81.03449	0.3
84.08099	0.3
86.99058	0.4
89.03927	0.9
90.04700	2.9
91.05482	5.5
92.02625	0.5
93.07042	0.6
95.04970	6.9
96.05314	0.3
100.07613	0.5
102.04671	0.6
103.05470	24.3
104.05759	0.6
105.04531	1.2
105.07030	100.0
106.07351	2.6
107.04958	1.5
108.28419	0.3
115.05455	29.6
116.01680	0.7
116.05783	1.1
117.07016	0.7
118.04160	14.2
119.04467	0.3
119.08582	3.5
120.05595	0.4
121.06426	0.6
122.03660	0.3
128.06201	0.8
130.04131	0.3
131.04938	3.5
131.08664	0.3
132.05725	1.5
133.06491	38.6
133.10106	3.0
134.05951	0.3
134.06908	1.1
143.04939	0.6
143.06026	4.0
143.08563	0.8
146.02631	0.3
146.03616	1.8
146.07271	0.6
147.04396	0.7
161.04626	0.4
161.05989	8.5
161.08134	0.9
161.09627	3.4
161.13277	1.7
162.06577	0.4
162.07779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0968
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
52.20630	0.6
55.01884	2.1
55.05511	13.0
56.05034	9.1
56.96558	3.2
57.03445	1.9
57.04556	0.9
58.02973	0.6
58.06601	1.9
58.99578	0.8
59.05007	2.0
59.06128	0.9
60.04531	1.2
60.08160	3.0
61.02924	1.6
67.05492	1.1
68.05028	4.4
69.03428	2.7
69.07070	7.3
70.06592	93.2
71.01334	1.1
71.06918	2.0
71.57786	1.0
72.03399	0.7
72.04514	1.7
72.08157	2.3
73.02913	2.1
74.06084	1.8
79.05502	2.1
81.05794	0.7
81.07070	0.8
82.06581	5.9
84.04489	2.1
84.08134	3.1
85.02901	2.2
86.06065	7.7
87.04469	6.7
88.02176	0.8
88.03996	2.1
88.07634	3.0
90.05524	0.6
91.05513	1.1
94.06573	0.8
95.58341	0.6
96.04478	1.3
96.08128	54.8
97.02892	2.1
97.06534	1.6
97.08470	1.2
98.06037	1.6
100.03986	1.8
100.07616	5.8
101.00908	1.5
101.02399	1.8
101.06020	1.9
102.05545	4.2
102.09161	0.9
103.02460	1.0
104.07094	0.9
105.07017	3.6
113.02390	1.8
114.03019	1.0
114.03751	5.5
114.05533	10.9
114.09164	100.0
115.03960	1.1
115.05404	1.0
115.09509	2.1
116.04736	29.7
116.07056	0.9
116.98599	1.0
117.05064	1.0
117.05782	0.9
118.06544	1.9
118.96744	2.3
119.01917	21.2
119.08582	1.3
120.02022	1.1
120.75897	0.7
121.01657	1.2
124.07621	1.2
128.00587	0.9
129.01801	1.6
131.01881	1.5
133.03479	1.9
133.06506	1.2
133.10103	1.5
134.99667	0.8
137.02950	13.2
142.03494	2.5
142.04956	1.3
142.08629	21.8
142.09752	1.2
143.08780	0.7
144.06540	2.5
151.04562	0.8
154.96461	0.8
160.03564	1.2
160.04762	1.1
160.07535	2.0
160.09686	62.0
160.10757	2.2
160.13309	2.0
161.02994	2.1
161.05959	1.3
161.07111	0.9
161.09743	3.3
161.12897	1.7
178.05617	1.4
179.03943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
68.58134	0.2
70.18917	0.8
82.99852	0.7
86.66917	0.2
98.97526	0.2
101.00874	10.8
102.00983	1.0
103.00630	0.2
105.07003	0.2
119.01917	100.0
120.02000	7.2
120.03036	0.3
120.96502	0.2
121.01665	1.0
121.02406	0.4
137.02953	51.2
138.03036	3.5
139.02602	0.3
139.03505	0.3
142.03497	2.8
143.03664	1.9
144.03227	0.6
156.97482	0.2
160.04576	1.0
161.02995	2.0
161.04770	1.6
162.04332	0.6
168.87268	0.2
174.98479	0.3
179.04002	4.3
179.05692	0.8
180.04047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
53.03939	0.6
55.01868	0.8
55.05509	8.0
56.05029	6.1
56.96564	4.6
57.03435	1.9
57.04569	1.0
58.06593	1.7
58.99878	0.5
59.05002	0.8
59.06102	2.1
59.93113	1.0
60.04516	1.0
60.08163	1.2
60.95858	0.6
61.02937	0.8
68.05009	2.6
69.03436	1.9
69.07076	4.3
69.62143	3.3
70.02969	0.6
70.06590	100.0
71.01372	0.9
71.04996	0.5
71.06911	2.2
72.04514	0.9
72.08155	4.6
73.01589	0.4
73.02919	1.3
74.06078	2.1
74.07214	0.5
75.04463	0.6
79.05498	1.4
81.03429	0.9
82.06582	3.8
83.00804	0.7
84.04505	1.9
84.08151	2.5
85.02895	1.2
85.07681	0.9
86.06069	6.1
86.09720	0.4
87.04472	5.4
88.02197	0.6
88.04013	2.1
88.07623	2.8
90.05544	0.8
91.05483	0.5
94.06554	1.3
96.04486	1.0
96.08128	33.6
97.02899	1.9
97.06534	1.1
97.08445	0.5
98.01281	0.6
98.06050	1.5
98.09698	0.7
98.97581	1.7
100.01009	0.6
100.04002	0.4
100.07625	3.5
101.00865	1.0
101.06028	0.8
101.07920	0.5
102.05547	1.5
102.09175	2.3
103.02477	0.5
105.07022	2.2
110.71463	0.4
114.03774	3.9
114.05531	10.4
114.09164	81.9
115.08739	0.7
115.09499	2.3
116.04736	34.2
116.10705	0.5
116.98618	1.7
117.05083	1.0
118.06570	0.5
118.96764	1.4
119.01913	9.1
120.00717	0.5
120.02011	0.6
121.01651	0.8
124.07560	0.5
126.47606	0.4
128.02306	0.6
128.98578	0.5
131.01894	0.9
132.08066	0.5
133.03477	1.1
133.06442	0.4
133.10080	0.5
134.99631	1.8
137.02946	6.0
142.03497	0.9
142.08629	16.9
143.11835	0.4
144.06583	0.8
144.10188	0.7
145.03415	0.8
146.99608	0.7
147.01385	0.5
147.05000	1.2
149.02864	0.5
154.96562	0.4
155.01895	0.6
159.04971	0.6
160.03525	2.4
160.09683	54.2
161.02934	0.9
161.10025	1.3
161.12857	1.0
179.04089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03945	1.0
55.05528	1.7
56.96566	0.8
59.93097	0.8
65.03954	1.7
67.05506	13.1
70.33366	2.9
76.93366	4.2
79.05492	9.7
81.07051	5.9
91.05479	35.5
93.07034	4.4
94.94423	1.6
95.04975	1.6
98.20819	1.0
100.07606	1.6
103.05476	3.6
104.06264	1.6
105.07029	38.3
106.07348	1.4
113.02348	0.7
114.09209	1.0
115.05447	10.4
116.06258	8.3
117.07018	55.4
117.95982	2.8
118.06555	0.9
118.96758	1.3
119.08581	20.6
122.66214	0.7
128.06227	3.1
129.07001	26.0
129.07915	1.4
129.38597	0.6
130.07819	10.4
131.08568	100.0
132.08078	0.8
132.08936	4.0
135.97020	1.3
141.01894	1.0
142.07784	2.9
143.08580	1.6
144.05737	1.0
144.09354	27.2
145.09708	1.6
155.08496	0.7
157.10089	3.7
159.08047	2.4
159.11691	87.7
160.09709	1.9
160.12024	4.0
176.90816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.4
59.08796	0.4
66.90926	0.4
69.55746	0.3
70.06590	14.3
70.99944	0.3
71.56761	0.6
77.03831	0.3
82.06568	0.4
86.06067	0.8
96.08116	1.2
100.07592	0.4
113.60371	0.3
114.05524	1.0
114.09168	7.9
116.04733	100.0
117.05074	2.6
132.06018	0.3
134.05789	1.1
142.08624	1.3
160.03683	9.9
160.09677	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	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.6
57.02569	0.4
61.31932	0.4
68.90520	0.4
70.78326	0.6
70.78674	0.7
89.79074	0.4
100.02482	0.8
101.00877	12.6
116.98630	0.8
118.03525	3.7
118.96756	0.8
119.01921	100.0
120.02020	1.3
121.01662	1.2
122.89339	0.5
124.02477	1.0
136.02737	1.9
136.04541	4.0
137.02959	51.2
139.02693	0.8
142.03502	20.2
143.03648	1.2
154.03674	0.7
160.04558	22.3
161.02902	1.6
161.04665	1.3
165.05060	0.6
178.05605	7.6
179.04004	3.7
179.05624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20547	0.3
51.71726	0.3
55.05504	0.8
55.93578	0.3
56.05028	0.9
56.96559	3.7
57.03424	0.4
57.07069	0.9
57.93568	2.2
58.06586	0.8
59.06120	1.1
60.04549	0.8
69.07059	1.0
70.06582	1.3
70.07404	0.5
71.04961	0.4
71.16574	0.7
71.58560	0.3
72.04520	0.5
72.08150	1.6
75.94618	0.8
76.93362	0.7
81.03432	0.5
81.04573	0.4
82.02929	0.3
82.06605	0.3
83.06097	0.6
84.04490	0.8
84.08149	0.7
85.02895	0.7
86.06056	0.6
86.09702	1.1
87.05585	1.4
89.03900	1.1
90.25360	0.4
91.05476	2.9
93.05786	1.7
93.95678	0.4
95.04984	0.4
95.06084	0.4
96.08144	0.4
98.06037	1.0
98.09695	0.5
98.97587	6.7
99.04446	0.9
99.05582	0.7
100.07611	1.1
101.74689	0.3
101.75391	0.4
102.09191	1.7
103.05465	0.8
105.07039	0.5
110.06092	0.4
111.07924	0.4
112.07587	0.9
113.07160	0.4
114.05521	0.4
114.09161	1.4
115.05467	3.4
116.06263	1.6
116.97243	5.9
116.98614	7.8
117.03384	0.6
117.05761	7.0
117.07007	2.8
117.95979	0.6
118.06538	1.4
129.07010	0.8
130.06529	10.4
131.04948	0.5
131.07361	0.7
131.08545	3.9
134.11069	0.4
134.99654	8.2
135.53050	0.3
139.91498	0.3
140.10699	0.7
141.01796	0.8
141.06972	2.9
142.06520	1.0
143.07298	98.0
144.07643	2.8
144.09366	0.4
148.96182	0.5
152.96948	1.9
153.00687	1.6
153.96707	0.4
156.08072	1.5
157.08899	3.6
158.09645	100.0
158.15370	1.2
159.07959	0.7
159.09982	2.9
159.11668	1.1
160.07742	0.3
170.98087	0.4
175.98450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0812
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03930	0.8
54.03451	0.5
55.01867	5.6
55.05512	4.5
56.05031	3.9
56.96296	0.6
56.96563	10.0
57.03422	2.4
57.07063	0.8
57.93559	8.0
58.02952	0.7
58.06573	1.3
59.06108	2.1
60.04510	2.2
67.05484	1.4
68.05013	2.9
69.03425	6.5
69.07070	2.5
69.07413	0.4
70.02954	0.6
70.06586	17.6
71.01331	0.5
71.04971	1.3
71.06114	0.8
71.57604	0.7
71.95237	0.5
72.04513	2.2
72.08149	11.8
74.06066	1.1
75.05597	0.7
75.47070	0.4
75.94605	2.5
79.05459	1.0
80.05010	0.8
81.03394	1.9
81.04518	0.5
81.05791	1.7
82.02914	0.8
82.06566	0.6
83.06087	2.5
84.04497	8.5
84.08128	3.3
85.02885	2.3
85.07656	0.6
86.06062	11.6
86.09694	0.7
87.04459	23.6
87.05584	1.4
88.04781	0.7
90.05541	0.6
91.05498	0.7
93.95644	1.3
94.06558	26.2
95.04965	0.9
95.06075	2.2
95.06838	0.4
95.07352	5.9
95.08569	0.5
96.04483	26.8
96.08126	8.6
97.07635	0.6
97.96796	0.5
98.06048	52.3
98.09650	0.5
98.96182	1.2
98.97573	17.3
99.04447	1.7
99.05569	3.4
99.06342	0.8
100.07607	0.8
101.07124	0.5
102.05537	1.9
102.09168	1.7
103.05455	0.8
105.07027	0.9
109.02890	0.5
110.06049	0.9
112.07597	8.1
112.11256	2.3
112.55004	0.8
112.55744	9.2
113.05904	1.9
113.07104	1.4
114.05522	24.0
115.05429	0.6
116.07056	1.2
116.97230	21.6
116.98589	21.8
117.01955	0.7
117.05769	1.0
119.01811	0.5
119.07317	3.2
122.06010	8.0
123.05508	0.6
126.02571	0.9
126.55459	1.2
127.01495	0.6
128.98605	0.6
130.06519	2.2
130.08615	0.6
131.04875	0.5
131.08507	0.7
131.99542	1.2
132.08089	3.4
134.02927	0.9
134.95891	0.8
134.99644	28.1
135.06778	1.3
138.05498	2.0
139.98807	1.2
140.00174	0.7
140.07053	100.0
140.10660	7.4
141.01775	1.3
141.06438	0.7
141.07487	2.3
143.07286	0.5
148.96153	2.0
152.96898	9.0
153.00705	6.6
153.96611	0.9
158.01265	2.1
158.02647	0.5
158.06052	1.0
158.08121	25.7
158.09578	10.9
158.11674	6.2
158.15430	1.7
159.02768	0.7
159.07826	0.7
159.09158	2.7
170.97948	2.1
175.98502	0.9
179.08580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77052	0.4
55.05536	0.5
56.05049	1.6
56.96571	4.3
57.04581	0.5
57.93571	5.1
58.01485	1.5
58.99876	1.0
59.06137	1.0
68.05047	0.5
69.04585	0.4
70.81084	0.9
70.81423	0.5
70.95870	2.2
71.95296	0.7
71.95915	1.2
72.04534	1.0
72.93790	2.7
73.93851	0.7
74.06090	0.6
74.93836	2.3
75.94596	2.2
76.02534	0.5
77.00942	1.3
82.99846	0.4
83.05017	0.4
83.06127	1.3
84.04519	0.7
88.96934	0.7
89.96964	0.4
90.94858	0.9
93.03407	0.4
93.95656	1.5
95.06058	0.4
97.02918	0.4
98.00946	0.5
98.06087	0.5
98.97585	13.1
99.05585	0.8
100.02483	4.1
100.03990	0.4
101.00867	3.4
101.07113	0.4
102.01004	0.5
102.74815	0.4
103.00645	0.5
111.04425	0.5
111.05560	2.1
115.02471	0.6
115.03499	0.6
115.96450	1.2
116.00220	0.5
116.01957	11.0
116.96384	0.8
116.97250	15.9
116.98608	21.4
118.01163	0.4
118.03522	30.1
119.01922	31.5
120.02028	6.3
121.01674	2.8
121.03493	0.4
130.03532	0.6
130.99635	0.6
131.99573	0.6
132.05090	2.2
132.95853	1.3
133.01674	0.7
133.03575	4.9
133.05289	7.6
133.96039	1.2
133.97441	1.1
134.02992	100.0
134.04782	9.3
134.95895	0.5
134.99661	24.3
135.03127	2.6
136.04556	29.1
137.02974	19.2
137.04012	1.8
137.04738	0.6
138.03064	3.9
139.02650	1.2
139.03535	1.6
139.98758	0.5
140.08221	0.9
141.05104	1.7
142.03542	2.2
147.03737	1.0
148.03796	3.1
148.96199	1.8
149.03482	1.0
150.06140	2.6
150.96893	2.8
151.04521	1.6
151.06226	8.0
151.97052	4.3
152.02159	1.4
152.04033	26.6
152.05873	7.0
152.96915	6.6
153.00713	5.9
153.04160	0.9
156.05182	0.4
157.03351	0.8
157.04584	15.3
157.06348	0.6
157.09717	0.5
158.01253	1.7
158.02965	2.9
158.04694	1.3
158.09612	2.0
159.06155	1.1
160.04555	1.2
166.04927	2.1
167.04514	0.6
170.97964	1.1
174.98616	0.5
175.04233	1.0
175.05870	7.4
175.98505	0.9
176.02446	1.0
176.04036	5.1
176.05836	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
54.00637	0.2
55.01871	0.5
55.05510	5.9
56.05030	1.0
56.05828	0.3
56.96548	0.6
57.03435	0.3
57.07075	2.0
58.06593	0.5
61.17503	0.2
63.10265	0.2
65.03936	0.9
65.07625	0.2
66.04250	0.4
67.05506	1.2
68.05019	0.8
68.96323	0.4
69.03425	1.1
69.04536	0.2
69.07058	0.4
69.96166	0.2
70.02963	0.3
70.06596	1.6
70.28868	0.2
70.94254	0.5
71.04985	0.4
71.57982	0.2
71.94128	0.2
71.95252	0.2
72.04506	0.3
72.08145	0.5
72.93398	0.3
72.93790	5.3
79.05494	3.3
80.05019	0.3
80.05835	0.3
81.03406	0.5
81.04542	0.4
81.07053	9.2
82.06585	2.3
82.07383	0.7
83.04973	0.8
83.06084	0.4
83.07343	0.6
83.08626	1.6
84.04489	0.6
84.08147	1.2
85.06542	0.4
87.04473	0.2
88.95323	0.2
90.94817	1.5
91.05470	0.8
92.05811	0.2
93.05786	0.6
93.07011	0.5
94.06551	0.7
94.07343	0.4
95.04980	1.6
95.06071	0.8
95.08597	0.5
96.04500	1.2
96.08126	0.6
97.04018	0.2
97.05267	3.5
97.07645	0.4
98.06062	2.9
98.09698	2.0
98.98448	0.8
99.04440	0.4
107.08593	0.3
108.08114	3.6
108.08913	1.0
108.95863	0.4
109.02872	0.6
109.05791	0.4
109.06518	6.4
109.07616	1.4
109.10169	0.4
110.06046	5.8
110.06753	0.2
111.04462	1.2
111.05627	0.3
111.06834	4.9
111.07980	0.2
111.09193	0.9
112.04824	0.4
112.08695	0.6
113.05993	0.7
113.07123	0.4
113.96409	1.8
123.04383	0.4
124.07599	0.6
125.08340	1.0
126.05489	0.5
126.09152	4.1
126.09996	0.2
127.03900	0.8
127.07565	0.3
127.08584	0.2
127.09534	0.2
130.96295	0.4
131.96313	0.3
131.97444	2.7
136.03914	0.4
136.07564	1.1
136.08548	0.5
137.05991	0.3
137.07098	0.3
137.10738	0.3
138.05489	0.8
139.03973	0.2
139.06277	6.8
139.07510	1.3
140.04637	0.3
140.06648	0.2
148.97372	1.4
149.97206	0.9
152.07025	0.5
154.08626	100.0
154.99004	0.3
155.03365	0.6
155.07077	1.1
155.08992	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00306	2.6
53.03940	5.1
53.56342	1.1
55.01861	3.6
55.05510	19.3
56.31457	1.1
56.83543	1.0
56.96551	2.1
57.03415	2.7
57.07056	1.8
59.05000	8.4
59.80592	1.1
62.27688	1.4
65.03942	28.4
67.05509	12.9
68.05028	1.7
68.45983	1.3
69.03421	4.3
69.07061	16.6
69.24769	5.1
69.25196	9.1
70.06583	2.4
70.94247	5.5
71.04990	27.8
71.94097	3.6
71.95300	1.9
72.08139	3.9
73.06554	20.0
75.04486	1.6
79.05489	40.8
79.58183	1.2
80.05804	1.6
81.03339	1.5
81.07054	100.0
82.04184	1.5
82.07385	3.5
83.04974	8.5
83.08604	3.4
84.08103	1.8
85.02951	1.3
85.06550	1.3
86.79164	1.1
88.95280	1.2
91.05474	16.8
93.03395	4.6
93.07043	44.8
93.07633	2.3
94.09029	1.2
95.04980	9.9
95.08601	11.6
95.26716	1.2
97.02888	2.1
97.06533	13.3
98.21693	1.3
105.07008	4.6
106.18090	1.3
107.04965	3.2
107.06083	1.2
107.08588	42.0
107.09306	2.7
108.08884	1.8
109.06513	9.0
109.10147	11.9
110.03651	4.5
111.03705	2.3
111.04443	36.1
111.08060	9.4
112.08701	2.3
119.08596	1.6
120.09380	1.5
121.02832	1.7
121.06494	7.1
123.04380	1.8
125.05973	12.5
125.09583	3.0
129.97931	2.1
130.97707	2.0
135.04367	2.6
135.08020	5.7
135.11687	24.7
136.07585	1.6
136.08658	1.5
138.03123	2.1
138.06758	1.4
139.03911	1.4
148.97334	3.0
153.01842	3.6
153.05455	9.7
153.09099	8.8
153.11467	2.8
153.12744	11.2
154.04985	4.9
154.08621	1.4
157.56094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00303	1.4
53.03939	5.9
55.01867	3.7
55.05509	18.7
56.05029	1.0
56.96568	1.9
57.03436	2.0
57.07070	3.9
58.06612	1.0
58.32052	0.8
59.04998	9.8
64.02333	0.9
65.03606	2.0
65.03939	37.1
66.04261	1.6
67.01840	1.2
67.05169	1.7
67.05501	15.7
67.09593	1.0
68.05018	3.2
68.96341	1.6
68.99773	1.2
69.03436	6.1
69.04558	1.6
69.06718	1.6
69.07069	19.3
70.06589	3.0
70.94255	4.4
71.01358	0.9
71.04992	29.4
71.58413	1.6
71.94100	18.9
71.95254	1.2
72.08147	2.2
73.06171	1.8
73.06555	22.5
75.04475	2.4
79.05492	36.9
80.05025	2.1
81.03426	3.1
81.04533	1.3
81.07055	100.0
82.04193	5.7
82.06570	1.1
82.07389	2.8
83.04985	11.2
83.06088	1.6
83.08620	3.7
84.08144	2.2
85.06535	2.0
85.07661	1.1
87.04488	1.3
88.95314	1.9
89.95142	1.4
91.05473	19.1
91.06012	1.5
93.03406	4.7
93.07043	53.0
94.06553	1.7
94.07372	0.9
95.01338	3.9
95.04967	53.4
95.06066	2.6
95.08597	14.4
97.02902	1.0
97.06525	18.7
105.07049	3.4
107.04958	6.2
107.08592	47.6
108.02089	3.4
108.04490	1.9
108.08128	1.3
108.08904	1.0
109.06502	6.4
109.07673	2.3
109.10159	12.6
110.03658	14.8
110.06018	0.9
110.07194	2.6
111.04443	52.0
111.08071	12.5
111.09199	1.8
111.96897	1.4
112.04809	2.1
112.08730	3.8
112.96717	3.9
117.06973	1.1
119.06091	1.0
119.08604	2.1
121.02820	1.0
121.06532	5.4
125.05997	18.9
125.06927	0.8
125.09609	1.7
126.05522	1.4
126.09184	1.0
126.10210	1.3
129.97900	2.3
130.97752	4.4
135.04416	2.6
135.05423	1.2
135.08084	5.4
135.11691	21.1
136.03932	1.2
136.07584	3.3
136.08669	2.4
136.12021	0.9
137.05992	0.9
138.03134	2.4
138.06781	2.7
148.97372	3.5
153.01852	3.4
153.05467	10.0
153.06580	1.8
153.09128	9.2
153.11362	7.2
153.12756	15.0
154.04953	4.9
154.08598	2.1
154.09741	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02391	1.2
51.07301	1.1
53.00302	1.6
53.03944	4.8
55.01867	2.5
55.05510	20.7
56.96571	2.9
57.03431	2.3
57.07067	5.1
59.05006	10.1
62.94447	1.3
65.03938	16.5
67.02963	1.2
67.05500	13.8
68.05028	2.7
68.96320	1.2
68.99813	1.3
69.03418	5.0
69.04552	1.5
69.07066	16.4
69.33923	12.2
70.06588	3.8
70.07359	1.1
70.94263	4.5
71.04990	31.3
72.05349	1.5
72.08153	3.4
73.06556	20.5
79.05489	37.2
80.05824	1.3
81.07053	100.0
82.06565	1.4
82.07381	3.6
83.04983	10.0
83.06115	1.6
83.08618	2.7
84.08150	1.4
85.06528	1.3
91.05483	16.1
92.05818	1.1
93.03423	5.8
93.07040	47.3
93.07633	2.3
94.07368	2.4
95.04987	6.3
95.06100	1.6
95.08595	15.2
97.06532	17.9
98.06011	1.2
105.07043	4.3
107.04955	4.7
107.08585	49.8
109.06506	4.9
109.07636	3.4
109.10149	12.7
110.03606	4.1
110.07169	2.4
111.03718	1.4
111.04443	24.2
111.08067	10.0
111.09216	2.0
112.08722	3.9
113.05869	2.3
113.83118	1.1
114.49316	1.3
117.07065	1.2
119.08565	1.8
121.06481	2.3
125.06036	6.5
125.06898	1.3
125.09632	2.7
126.10297	2.4
130.96371	2.2
134.27917	1.2
135.04437	2.7
135.08037	7.8
135.11700	20.0
136.01407	1.2
136.07596	2.1
136.08638	2.5
138.03148	1.8
148.97359	4.0
153.01828	1.5
153.04056	3.1
153.05467	5.9
153.07494	3.0
153.09113	8.1
153.11333	4.6
153.12744	12.9
154.02454	3.2
154.04512	2.4
154.08609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Perilla alcohol
Peak:m/z	Relative Intensity
53.03935	2.8
55.01854	3.1
55.05512	18.7
56.96558	2.4
57.03444	7.5
57.07066	2.8
59.04996	1.4
65.03938	14.2
67.05505	49.9
68.99770	0.9
69.03433	5.1
69.07066	77.9
69.65562	6.5
70.94244	4.1
71.01357	1.1
71.04637	0.8
71.04987	4.2
71.94089	3.6
71.95264	5.4
73.06513	0.8
78.04730	1.0
78.27839	0.9
79.05494	46.2
80.05814	1.3
81.07056	56.1
82.04195	1.0
82.07378	1.2
83.04980	14.2
83.08617	9.2
84.04449	0.9
84.08145	1.3
84.49864	1.0
85.02903	1.0
85.06529	4.0
86.47047	0.8
88.95285	1.7
91.05483	10.6
93.03412	1.9
93.07041	72.8
94.07351	1.7
95.04967	4.9
95.07977	1.3
95.08600	26.0
97.02915	0.9
97.06529	33.1
105.07021	3.4
105.72896	1.0
107.04948	3.1
107.08595	68.9
108.04481	1.4
108.08894	1.2
109.06510	3.0
109.10155	44.5
110.03666	4.1
110.10506	2.1
111.04468	20.7
111.08073	13.1
111.96863	1.0
112.04777	1.4
124.05167	0.9
125.06006	7.7
125.09587	1.4
126.05482	1.3
126.06329	2.5
129.97871	1.3
130.97710	0.9
135.04349	1.5
135.08043	2.9
135.11687	100.0
136.03935	1.1
136.07588	1.7
136.12036	3.2
138.03111	1.9
138.04984	1.7
148.97272	0.9
153.01880	1.3
153.05489	6.9
153.07518	5.1
153.09142	4.9
153.12741	70.3
154.04955	5.2
154.08652	1.5
154.13089	1.7
154.15901	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00293	1.7
53.03938	4.4
55.01866	1.9
55.05515	16.5
57.03418	2.1
57.07061	4.6
59.04996	8.8
60.73219	1.2
63.87893	1.0
65.03941	7.7
67.05495	10.5
69.03404	1.2
69.07067	14.3
70.06574	2.3
70.94247	2.9
71.04991	32.4
71.10653	3.8
72.03580	1.3
72.08150	2.5
73.06551	23.8
79.05488	32.6
81.07054	100.0
82.07381	3.4
83.04978	4.2
83.08626	3.5
85.06514	1.5
85.17371	1.1
91.05490	12.9
93.03391	2.1
93.07038	47.7
95.04962	5.1
95.06080	1.4
95.08593	11.8
97.06523	13.9
105.07012	4.2
107.04937	3.2
107.08589	43.1
109.06493	4.0
109.10162	10.4
110.03638	1.8
111.04441	12.0
111.08074	7.7
112.08714	1.2
117.06954	1.3
119.08589	3.4
120.09381	1.3
124.93244	1.2
125.05972	2.9
132.49544	1.3
135.08037	2.7
135.11684	19.7
136.08636	2.0
136.12018	1.3
138.06740	1.1
148.97348	2.3
153.01837	3.0
153.05450	3.9
153.07742	1.6
153.09044	2.2
153.11362	3.1
153.12718	12.6
155.56781	1.4
174.16962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	(R)-(+)-Pulegone
Peak:m/z	Relative Intensity
53.00309	2.9
53.03939	4.4
55.05507	15.0
57.07066	1.5
59.05001	8.6
62.53048	1.4
65.03937	4.9
67.05505	8.6
69.03414	1.6
69.07059	13.0
69.85608	6.8
71.04993	35.0
73.06554	21.3
79.05488	31.3
80.87515	1.4
81.07056	100.0
82.07389	1.9
83.04980	1.7
83.08608	2.6
85.06522	1.6
91.05489	11.0
93.07045	43.7
95.04957	5.6
95.08625	8.6
97.06544	7.0
105.07021	3.8
107.08599	40.8
109.06562	2.6
109.10146	7.4
110.03610	2.5
111.04449	4.7
111.08084	6.4
119.08607	2.5
125.05984	2.2
125.09612	1.7
135.11691	18.7
153.05434	2.2
153.09178	1.8
153.12752	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03927	10.0
55.01866	6.1
55.05511	33.0
56.05893	2.4
56.67453	2.2
56.96551	5.7
57.03440	5.3
57.07059	9.8
59.04994	12.8
64.93874	2.5
65.03609	5.0
65.03935	62.4
67.05504	26.2
69.03413	10.6
69.07071	33.6
70.06581	5.3
70.07703	6.7
70.08117	7.9
70.94248	12.1
71.04664	2.5
71.04997	30.9
71.94101	5.9
71.95270	3.0
72.02225	2.3
73.06561	19.1
79.05491	54.6
80.05035	2.8
81.07059	100.0
81.10171	2.5
81.74142	2.4
82.04179	3.4
83.04974	19.0
83.08613	7.0
84.08137	5.1
88.95314	3.3
91.05477	24.4
93.03381	10.9
93.06486	3.4
93.07047	61.7
93.76303	2.7
95.01309	3.9
95.04981	16.5
95.06069	5.6
95.08610	21.9
97.02876	3.5
97.06527	36.4
98.20763	3.8
98.21322	6.2
103.19583	2.4
105.07014	6.8
107.04939	10.3
107.08595	60.1
108.05678	2.7
108.08128	2.6
109.02854	2.4
109.06516	9.6
109.10155	26.6
109.27579	2.5
110.03647	16.8
110.07169	5.5
111.03717	5.0
111.04446	88.8
111.08057	18.3
111.09188	3.0
111.96884	2.6
112.03985	2.5
112.04756	2.7
112.08740	5.9
112.96751	4.0
121.06487	4.7
125.05997	29.6
126.05528	3.6
129.97931	3.6
135.04390	8.4
135.05431	3.7
135.08011	9.2
135.11671	27.1
136.03806	4.1
136.07590	6.6
136.08685	5.0
138.03162	2.7
138.06747	2.8
148.89201	2.7
148.97346	9.5
153.01810	15.1
153.05421	16.7
153.06564	4.4
153.09079	12.1
153.10193	3.4
153.11363	10.2
153.12737	24.4
154.04953	13.9
154.08626	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00312	1.9
53.03941	4.5
55.01869	1.1
55.05262	1.3
55.05515	16.3
56.96561	1.2
57.03432	2.0
57.07071	3.4
59.05005	10.3
65.03939	13.0
66.41856	1.1
67.05506	10.4
68.05022	1.0
69.03429	2.3
69.07066	14.3
69.66816	1.5
69.67147	7.3
70.06591	1.7
70.94240	3.2
71.04993	31.5
72.04485	0.9
72.08148	0.9
73.06174	1.7
73.06558	23.3
79.05065	2.0
79.05494	29.1
81.07057	100.0
82.07391	2.2
83.04997	6.7
83.08608	3.3
87.89716	1.1
91.05482	12.6
93.03403	4.3
93.07046	49.4
94.06630	0.9
94.07358	1.9
95.04969	9.5
95.06120	1.1
95.06890	0.9
95.08601	11.4
96.05700	1.2
97.06535	12.9
105.07027	3.5
107.04949	2.8
107.08597	41.3
109.06531	3.1
109.10154	10.4
110.03629	2.5
110.07220	1.0
111.04449	18.9
111.08086	10.2
112.03962	2.1
112.08759	2.3
119.08606	1.2
120.00110	1.0
121.02867	48.3
122.03233	2.3
125.05987	5.8
125.09624	3.2
130.38802	0.9
135.08046	3.6
135.08995	0.9
135.11699	23.0
136.07605	1.4
136.08694	1.4
136.12015	1.1
140.03421	1.6
148.97345	1.5
153.01854	1.2
153.04379	1.3
153.05441	6.3
153.09114	3.4
153.10249	1.4
153.11363	4.9
153.12747	13.4
154.02580	1.1
154.05026	1.5
154.09785	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00303	2.2
53.03931	5.1
53.16694	0.9
53.55416	1.0
55.01870	3.4
55.05510	20.3
57.03419	2.4
57.07067	2.5
59.05000	6.8
59.05244	1.0
65.03938	15.4
67.05501	14.6
68.05028	2.2
68.96313	1.7
68.99777	1.4
69.03420	4.3
69.04521	1.1
69.07062	14.3
69.74181	4.5
69.74618	3.2
70.06567	2.4
70.94251	3.0
71.04991	28.4
72.08167	2.2
73.06550	19.3
75.04487	3.3
79.05491	41.7
80.05021	1.7
80.05833	1.2
81.03410	1.6
81.04559	1.9
81.07055	100.0
82.07368	2.3
83.04986	9.2
83.06106	1.5
83.08618	2.4
84.08141	1.8
85.06539	1.5
88.95290	1.1
91.05480	18.4
93.03375	2.6
93.07040	42.9
94.06543	1.6
95.04968	38.0
95.06071	3.0
95.08605	8.1
96.05285	2.2
97.06528	15.8
97.07588	1.4
105.04510	1.5
105.07022	4.3
107.04961	11.7
107.07865	2.3
107.08593	43.7
108.08896	1.4
109.06523	9.6
109.07639	2.4
109.10152	10.9
110.03624	5.2
111.03709	1.9
111.04444	26.7
111.05560	1.5
111.08068	10.2
111.09209	1.7
111.96864	1.3
112.08746	2.7
113.05878	1.9
119.08541	1.1
121.06496	4.7
123.04520	1.3
125.05983	8.7
125.09610	2.4
126.05513	1.5
126.09173	1.9
126.10210	1.4
135.04408	4.0
135.08028	4.7
135.11674	21.7
136.07600	1.7
136.08675	1.6
137.10860	1.2
138.03084	2.2
138.06721	2.3
139.06375	1.1
144.55974	1.1
148.97353	3.5
153.01837	3.3
153.04140	2.7
153.05507	6.6
153.09102	6.6
153.10304	1.5
153.11351	7.5
153.12747	9.5
154.02489	1.6
154.04971	3.6
154.08553	7.9
154.09674	1.3
154.13258	1.2
171.98904	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00291	2.2
53.03933	4.2
55.01878	1.3
55.05512	15.5
57.07065	3.3
59.05003	8.6
65.03949	3.6
66.60804	1.4
67.05506	10.5
69.07077	11.1
70.18265	5.2
70.59977	1.0
71.04994	32.8
73.06556	22.0
79.05066	1.8
79.05492	28.5
81.07056	100.0
82.07388	2.5
83.04986	2.8
83.08624	1.6
85.06555	1.4
91.05478	12.7
93.07042	43.7
95.04967	4.1
95.08609	8.4
97.06538	9.0
98.20789	1.4
105.07026	3.6
107.08591	37.6
109.06497	2.6
109.10156	6.1
111.04435	4.3
111.08084	7.1
117.07066	1.2
119.08558	2.1
120.77056	1.1
125.06032	1.3
125.09662	1.2
135.08138	1.0
135.11691	21.9
153.12730	9.6
154.16174	1.0
163.57617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.18020	1.2
53.03946	6.5
53.39835	1.8
55.01873	6.4
55.05511	39.4
56.05040	1.8
56.96568	2.9
57.03424	4.5
57.07074	2.4
58.06601	2.1
59.05011	10.7
65.03606	2.6
65.03944	38.9
67.05175	2.5
67.05509	38.5
68.05010	3.3
68.05842	3.2
68.96315	2.5
68.99788	6.9
69.03432	19.2
69.04548	2.3
69.07074	19.2
70.06587	7.8
70.94274	7.5
70.95838	1.6
71.04995	25.0
71.06109	2.1
71.06989	2.7
72.08153	3.9
73.06554	14.3
75.78844	1.5
79.05494	63.7
80.05016	3.0
80.05839	3.3
81.03407	2.0
81.04560	2.0
81.07057	97.3
82.06586	2.4
82.07393	2.2
83.04983	46.2
83.06087	2.9
83.07343	1.6
83.08603	4.6
84.04504	2.9
84.08125	2.9
85.06553	2.3
85.86894	1.3
88.95280	2.1
91.05482	38.4
93.03413	11.2
93.07044	56.7
94.06528	3.4
94.07355	3.2
95.04971	31.8
95.06094	4.1
95.08613	13.6
96.04491	2.5
96.08176	2.0
97.02868	3.3
97.04022	2.8
97.05300	2.9
97.06539	21.1
97.07639	2.7
97.08447	1.8
98.06058	4.3
98.20990	1.8
105.04537	2.3
105.07038	14.9
107.04955	10.2
107.08595	100.0
108.04512	1.9
108.05665	2.2
108.08105	7.2
108.08922	3.9
108.42316	1.4
109.06523	22.9
109.07639	5.6
109.10165	14.6
109.98951	2.0
110.03651	8.7
110.06042	3.9
111.04446	68.2
111.05580	2.8
111.06816	5.3
111.08084	37.9
111.09199	3.3
111.10817	1.5
112.03977	1.6
112.04787	1.7
112.08764	6.7
113.05868	5.0
115.05420	1.6
117.06993	3.3
119.06039	2.6
119.08565	2.6
121.02883	21.1
121.06470	5.0
123.04379	1.9
124.05173	2.3
124.08704	2.0
125.05998	21.9
125.09631	23.4
126.06488	1.9
126.09157	4.2
126.10065	2.4
129.97911	2.8
130.96300	3.4
135.04405	2.6
135.06506	1.9
135.08051	34.7
135.11710	17.0
136.04039	1.6
136.07555	6.3
136.08589	3.6
138.03096	1.7
138.06746	4.0
139.06268	4.4
139.07527	9.3
146.56245	1.4
148.97353	11.8
153.01820	5.5
153.04079	4.7
153.05490	15.0
153.07715	2.0
153.09102	23.6
153.10240	2.4
153.11353	14.1
153.12747	13.8
153.14676	2.2
154.02428	1.7
154.04900	5.7
154.06079	2.3
154.08627	75.7
154.09691	5.1
166.98320	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0408
Annotation	Xanthine
Peak:m/z	Relative Intensity
53.03936	1.2
53.99809	0.4
54.03458	1.0
55.01880	2.7
55.02994	6.1
55.05507	3.1
55.29779	0.3
56.05026	1.2
56.96564	19.0
57.03418	1.6
57.07074	0.6
58.06617	0.9
59.04988	1.9
65.03939	22.9
67.01858	1.1
67.02982	1.6
67.05503	4.9
68.01378	0.8
68.05022	2.6
68.05836	0.4
68.96324	3.2
68.99771	0.9
69.03429	5.1
69.04559	2.1
69.07063	4.9
69.65378	0.8
69.65792	2.2
70.02955	0.5
70.06595	2.7
70.94257	3.4
71.04987	1.5
71.94104	0.8
71.95249	1.4
72.08142	0.9
73.02911	0.7
74.04840	0.5
74.06075	1.0
74.97608	1.2
77.03843	0.4
79.01847	1.0
79.05491	7.5
80.05020	2.7
81.00911	2.4
81.03407	1.5
81.04544	3.3
81.07053	3.0
82.02943	0.4
82.04071	4.8
82.05334	0.4
82.06576	3.8
83.02448	1.4
83.04987	4.8
83.06091	1.4
83.08627	0.8
84.04481	1.2
84.08134	3.1
84.96037	0.4
85.02902	1.8
85.04012	0.5
85.07606	0.4
86.06068	0.5
86.97367	1.6
87.04469	0.8
88.95289	1.8
91.05468	3.2
92.04987	0.6
92.98650	0.6
93.00874	1.3
93.03405	3.6
93.07034	5.3
94.04134	0.6
94.06560	1.6
95.04984	4.0
95.06085	2.0
95.08606	3.5
96.04472	0.5
96.05616	1.3
96.06834	0.6
96.08096	0.5
97.00510	0.6
97.01118	0.5
97.02896	2.6
97.04015	1.2
97.06524	9.1
97.07666	1.5
98.06055	1.4
98.07140	0.4
98.07980	0.4
98.97581	1.7
99.05540	0.7
104.98396	0.5
105.07048	0.7
107.04963	7.1
107.06076	1.0
107.08586	7.3
108.01985	1.7
108.04514	2.9
108.05583	1.0
108.08136	2.1
109.02865	1.0
109.06511	2.3
109.07659	1.8
109.10151	3.8
109.98958	1.4
110.03532	74.0
110.06030	1.3
110.07202	0.6
111.04443	38.9
111.08058	2.9
111.09208	1.1
112.03973	0.6
112.04955	0.8
112.07619	1.0
113.05878	5.8
115.97832	0.6
116.98613	2.2
119.01845	1.0
121.02882	1.9
123.04437	0.6
125.02382	0.9
125.03434	0.4
125.06004	11.7
125.07069	1.3
125.07954	0.6
125.09631	1.0
126.05486	2.0
126.06464	0.9
126.09161	1.7
126.10377	0.5
127.04986	0.8
127.99981	1.3
128.04558	14.9
128.98663	0.5
129.97899	0.8
130.96260	2.3
131.00194	0.5
131.01903	0.9
133.98943	1.1
134.05957	0.5
134.99646	2.7
135.03033	0.9
135.04436	2.9
135.05453	0.8
135.06444	1.0
135.08054	3.2
135.09074	0.7
135.11685	2.2
136.01421	36.2
136.03857	1.0
136.04785	2.3
136.07574	3.8
136.08675	1.1
138.03119	2.0
138.06714	0.7
140.65074	0.5
146.99683	0.8
148.97354	8.5
149.01271	1.3
149.02943	0.6
153.01924	4.3
153.04086	100.0
153.05478	9.2
153.07487	5.8
153.09102	3.7
153.10248	3.1
153.11348	1.4
153.12732	4.3
154.02473	99.5
154.05159	7.8
154.08615	2.0
154.09755	1.2
155.02960	2.0
161.01247	0.9
165.00771	0.6
166.98488	0.5
167.07042	1.4
171.02956	0.9
171.98978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Paracetamol
Peak:m/z	Relative Intensity
50.87387	0.2
53.03933	0.3
54.53873	0.2
55.01856	0.2
55.59982	0.2
56.05015	0.6
56.96563	0.4
57.03420	0.3
63.00700	0.2
65.03931	2.0
66.04743	0.2
67.05521	1.0
68.05039	0.2
69.03426	0.3
69.79544	1.1
70.06573	0.3
79.05482	1.0
80.05011	0.4
81.03436	0.2
81.07015	0.3
82.06582	0.4
83.04969	0.2
87.25635	0.2
88.13525	0.2
91.05453	0.3
92.04991	2.3
93.05773	2.3
93.07021	0.5
94.06554	0.6
95.04948	0.3
95.08562	0.2
96.04462	0.7
96.08114	0.5
97.06520	0.4
98.20741	0.3
100.08963	0.2
102.37930	0.2
103.02418	0.8
106.06540	0.8
107.04971	0.3
107.07341	0.6
107.08581	0.3
108.04473	0.3
108.08147	0.4
109.05161	0.3
110.03542	1.3
110.06042	14.7
111.04440	1.3
111.06377	0.3
112.68301	0.2
119.01882	0.8
120.04430	0.2
121.03498	0.7
122.06019	2.2
123.06807	0.5
124.03914	0.7
124.07576	1.0
124.11271	0.2
125.04736	1.9
125.06007	0.4
128.04567	0.8
128.98578	0.3
131.01840	0.2
131.78972	0.2
134.06010	0.9
135.03038	0.9
135.06609	0.3
138.05505	1.2
147.01370	1.3
147.04984	0.3
147.54053	0.2
152.05724	8.8
152.07050	100.0
153.04074	4.7
153.06287	0.3
153.07416	3.1
165.02426	0.3
170.02986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03755	0.2
56.96549	0.3
65.03939	1.5
67.05496	0.6
68.08540	0.2
69.77533	0.6
69.77958	0.8
74.25204	0.2
79.05481	0.6
80.27271	0.2
81.05801	0.2
82.81282	0.2
92.05000	3.2
93.05764	1.8
94.06573	0.4
95.04945	0.4
103.02460	0.2
106.06538	0.5
107.04910	0.3
107.07352	0.5
108.08109	0.3
109.05181	0.4
110.03508	0.9
110.06041	13.9
111.04446	0.4
121.03524	0.2
122.06025	2.5
123.06772	0.8
124.03934	0.4
124.07564	0.6
125.04745	1.6
128.04535	0.9
134.05984	0.5
135.03030	0.9
135.06639	0.3
138.05487	1.2
146.99652	0.2
147.01373	0.5
152.05731	5.8
152.07053	100.0
153.04083	2.6
153.07420	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	149.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.7
53.00326	0.8
53.03947	4.5
55.01868	4.4
55.05517	3.8
56.96555	0.7
65.03941	71.2
65.71210	0.7
66.04265	2.1
67.05500	1.9
68.99779	0.8
69.03432	4.9
71.57976	0.7
72.08134	0.6
77.03931	0.8
78.04695	0.9
79.05495	20.7
81.07069	4.3
83.04949	0.7
89.03938	1.4
91.05482	48.4
92.05800	1.0
93.03403	16.7
93.07043	37.5
94.06568	1.3
94.07375	0.9
95.04963	10.9
95.08586	1.0
98.03667	2.7
100.07602	1.0
103.05475	7.6
105.04514	1.6
105.07032	35.9
106.04174	1.4
106.07821	2.2
106.89408	0.7
107.04961	2.5
107.08608	5.7
109.06519	2.8
111.04447	14.9
115.05432	3.8
116.06238	14.5
119.04861	0.7
119.08572	5.7
120.05637	1.1
121.02867	66.7
121.03968	15.8
121.06501	11.8
121.10146	23.1
121.11041	1.1
122.03197	2.5
122.06017	0.8
122.10483	0.8
123.08096	4.1
127.44964	0.7
128.06258	0.9
129.07004	5.6
131.04945	1.8
131.08585	12.5
133.06548	1.4
133.07594	2.2
134.07269	2.4
147.08028	0.8
149.02344	100.0
149.05972	2.6
149.08400	1.6
149.09616	25.5
149.13300	1.3
150.02684	4.3
150.03700	0.9
150.05441	1.2
150.10066	2.0
167.03387	1.5
169.03516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	guanine
Peak:m/z	Relative Intensity
53.01438	0.2
53.03922	0.1
55.02739	0.2
55.02983	1.1
56.05027	0.2
56.96565	1.4
57.03429	0.3
60.95811	0.2
63.26091	0.1
65.03934	1.4
66.04705	0.2
67.05490	0.6
69.03419	0.4
69.90632	0.6
72.45070	0.1
73.55443	0.1
77.00901	0.1
79.05489	0.7
80.02499	0.4
80.05029	0.2
81.03406	0.3
82.04057	0.8
84.08144	0.2
85.02899	0.4
92.05000	3.5
93.00900	0.2
93.05273	0.2
93.05788	1.8
94.06568	0.8
95.04951	0.2
96.04461	0.4
96.08134	0.3
97.02870	0.2
98.97559	0.3
100.02483	0.2
103.02435	0.2
106.06557	0.5
107.03549	0.8
107.04981	0.2
107.07333	0.2
108.04350	0.1
108.08123	0.2
109.05132	2.5
110.03527	13.3
110.06039	13.7
110.35998	0.1
110.97598	0.2
111.06361	0.4
115.02447	0.3
116.98605	0.2
119.01891	0.5
119.45377	0.2
121.61523	0.1
122.06031	2.6
123.06865	0.8
124.03944	0.4
124.07582	0.7
125.04704	1.6
128.04564	7.0
128.98599	0.3
129.95662	0.1
131.01878	0.2
133.03470	0.6
133.33453	0.1
134.04619	1.6
134.06009	3.2
135.03018	12.6
135.06580	0.4
136.01405	0.4
136.03291	0.2
137.02939	0.2
138.05482	1.1
146.99600	0.2
147.01382	0.2
147.04961	0.2
152.05690	78.8
152.07050	100.0
153.04068	39.1
153.06079	1.3
153.07408	2.7
154.02487	0.8
154.04385	0.8
161.02930	0.2
170.02924	0.2
173.04813	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.13791	1.2
53.03947	7.3
53.76376	1.4
55.01865	5.4
55.05513	6.8
60.77978	1.2
65.03941	77.3
66.04264	1.9
67.05519	3.0
69.03423	4.6
69.07056	2.0
69.46485	11.5
77.03915	1.9
78.04719	3.8
79.05494	36.0
80.04994	1.6
80.06261	1.3
81.03436	2.2
81.07045	6.2
89.03901	2.8
91.05479	62.9
92.05787	2.5
93.03407	16.0
93.07040	56.9
94.06530	2.2
95.04974	16.7
97.93446	1.3
98.03627	2.2
98.21117	5.5
98.93075	1.3
100.07620	2.0
103.05482	14.8
105.04534	2.7
105.07027	47.9
106.04164	4.3
106.07809	5.6
107.04955	15.9
107.08598	15.4
109.06519	3.9
111.04439	15.9
115.05449	5.1
116.06249	11.8
119.08589	9.2
121.02864	66.5
121.03967	13.2
121.06506	16.2
121.10144	37.5
121.11012	2.3
122.03228	3.6
122.10481	1.9
123.08048	7.1
129.07011	4.5
131.08551	13.4
133.06499	2.0
133.07570	2.9
134.03639	1.5
134.07283	1.6
149.02342	100.0
149.05991	4.8
149.09615	66.8
149.13217	2.8
150.02660	5.1
150.05522	2.2
150.10049	2.9
167.03381	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03946	7.8
53.50531	1.5
55.01863	5.1
55.05492	2.6
65.03603	2.2
65.03935	22.5
67.05502	3.8
69.03423	5.7
69.64471	7.2
69.64896	5.0
72.82998	1.7
79.05072	2.1
79.05496	35.7
81.07036	4.9
91.05481	98.0
92.05814	3.1
93.03384	5.7
93.07047	43.1
95.04977	16.0
98.21471	3.1
101.96226	1.5
103.05469	15.9
105.04510	3.0
105.07030	71.0
106.07803	6.9
107.04955	2.2
107.08607	4.5
109.06539	8.8
111.04443	3.2
114.45506	2.1
115.05449	15.5
116.06245	38.5
117.06574	1.6
119.08580	14.4
121.02861	18.1
121.03983	5.0
121.06509	32.5
121.10141	50.1
123.08080	11.9
128.06145	2.0
129.06982	8.7
131.08566	34.6
133.06517	3.3
133.07617	4.6
134.07251	8.2
147.08049	5.9
149.02362	24.6
149.09618	100.0
150.02707	2.0
150.09999	2.7
150.67920	1.7
156.80205	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02367	2.0
53.03946	10.5
55.01855	6.4
55.05498	5.7
63.72813	1.6
65.03939	78.8
66.04266	2.6
67.05491	4.0
69.03419	6.5
69.07023	2.1
69.27292	19.7
78.04694	2.8
79.05492	42.0
80.05852	2.6
81.07059	5.4
89.03908	3.0
91.05478	93.4
92.05807	2.5
93.03392	15.1
93.07040	69.0
94.07367	1.9
95.04951	17.5
98.03654	1.9
98.21320	8.7
103.05474	16.0
105.04551	4.6
105.07026	76.5
106.04154	7.0
106.07796	5.1
107.04927	5.7
107.08608	8.5
109.06495	4.5
111.04431	15.4
115.05431	6.8
116.06226	20.8
119.04953	2.0
119.08574	11.6
121.02861	66.0
121.03967	16.5
121.06490	26.9
121.09316	3.5
121.10143	43.9
122.03148	2.0
122.06919	1.6
123.08080	10.2
129.06995	8.7
131.08551	21.4
133.06543	2.9
133.07510	3.6
134.03607	3.2
134.07249	5.7
149.02339	100.0
149.05960	4.2
149.09619	46.2
149.13362	1.5
149.43819	1.6
150.02635	5.0
150.03787	1.8
150.10017	1.9
167.03378	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.01608	0.7
53.00326	0.8
53.03947	4.5
55.01868	4.4
55.05517	3.8
56.96555	0.7
65.03941	71.2
65.71210	0.7
66.04265	2.1
67.05500	1.9
68.99779	0.8
69.03432	4.9
71.57976	0.7
72.08134	0.6
77.03931	0.8
78.04695	0.9
79.05495	20.7
81.07069	4.3
83.04949	0.7
89.03938	1.4
91.05482	48.4
92.05800	1.0
93.03403	16.7
93.07043	37.5
94.06568	1.3
94.07375	0.9
95.04963	10.9
95.08586	1.0
98.03667	2.7
100.07602	1.0
103.05475	7.6
105.04514	1.6
105.07032	35.9
106.04174	1.4
106.07821	2.2
106.89408	0.7
107.04961	2.5
107.08608	5.7
109.06519	2.8
111.04447	14.9
115.05432	3.8
116.06238	14.5
119.04861	0.7
119.08572	5.7
120.05637	1.1
121.02867	66.7
121.03968	15.8
121.06501	11.8
121.10146	23.1
121.11041	1.1
122.03197	2.5
122.06017	0.8
122.10483	0.8
123.08096	4.1
127.44964	0.7
128.06258	0.9
129.07004	5.6
131.04945	1.8
131.08585	12.5
133.06548	1.4
133.07594	2.2
134.07269	2.4
147.08028	0.8
149.02344	100.0
149.05972	2.6
149.08400	1.6
149.09616	25.5
149.13300	1.3
150.02684	4.3
150.03700	0.9
150.05441	1.2
150.10066	2.0
167.03387	1.5
169.03516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.05518	5.5
62.97338	1.0
64.57530	0.9
64.92808	2.5
65.03931	3.8
67.05504	20.6
69.07069	6.2
70.30081	4.2
79.05489	25.9
80.05830	0.9
81.07058	17.8
82.07428	1.5
83.06914	2.9
91.05479	100.0
92.05808	3.8
93.07042	16.0
94.06510	1.0
95.04977	4.6
101.07962	2.4
103.05479	6.4
105.04517	1.3
105.07029	87.3
106.07368	3.9
107.04948	1.1
115.05455	1.3
117.07018	10.1
119.04948	5.1
119.08577	56.4
120.08951	2.7
123.96470	2.9
128.67000	0.9
129.07007	3.8
132.05653	1.3
145.10097	2.8
147.04437	2.3
147.05539	1.8
147.08015	6.9
147.11690	26.1
148.12062	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0606
Annotation	D-Glutamate
Peak:m/z	Relative Intensity
56.05029	12.5
65.03933	12.0
71.57581	7.7
74.46254	4.6
84.04504	100.0
101.21146	4.6
102.05553	16.1
121.02915	6.9
124.92159	5.2
149.02380	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	147.0764
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
53.86882	1.5
55.01865	2.4
55.05502	3.4
55.26219	1.8
56.05037	16.0
56.05840	7.7
58.55942	1.6
59.06124	40.4
60.04513	3.8
70.02851	3.4
70.03236	5.8
72.59825	1.9
74.02442	2.4
82.06590	5.9
83.06127	5.4
83.06908	18.4
84.04503	100.0
84.08147	24.8
85.01138	2.6
85.02914	2.0
85.04807	1.9
88.03994	50.2
88.04788	2.0
88.07641	2.3
91.05476	15.1
91.24699	1.8
98.21410	3.0
100.03982	2.5
100.07614	4.4
101.07146	20.8
101.07959	13.4
102.05547	5.6
103.05498	2.1
105.06602	12.5
119.04969	7.5
129.07407	3.3
130.05006	55.2
131.05305	2.4
147.04427	4.1
147.08499	2.5
163.23993	1.8
165.92934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03940	2.6
55.05518	5.5
62.97338	1.0
64.57530	0.9
64.92808	2.5
65.03931	3.8
67.05504	20.6
69.07069	6.2
70.30081	4.2
79.05489	25.9
80.05830	0.9
81.07058	17.8
82.07428	1.5
83.06914	2.9
91.05479	100.0
92.05808	3.8
93.07042	16.0
94.06510	1.0
95.04977	4.6
101.07962	2.4
103.05479	6.4
105.04517	1.3
105.07029	87.3
106.07368	3.9
107.04948	1.1
115.05455	1.3
117.07018	10.1
119.04948	5.1
119.08577	56.4
120.08951	2.7
123.96470	2.9
128.67000	0.9
129.07007	3.8
132.05653	1.3
145.10097	2.8
147.04437	2.3
147.05539	1.8
147.08015	6.9
147.11690	26.1
148.12062	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05515	1.2
55.80573	0.4
65.03940	10.7
66.04280	0.4
67.24816	0.3
69.07058	1.0
70.97580	0.6
70.97924	0.6
74.10177	0.4
79.05496	2.7
83.06886	0.6
84.04501	1.2
88.03992	0.8
91.05480	100.0
91.36002	0.4
92.05807	3.8
93.07040	2.1
95.04945	1.3
102.04696	0.4
103.05452	1.2
104.06236	0.4
105.07034	13.6
106.07400	0.5
107.04929	0.5
107.08547	0.8
115.05502	0.5
116.06230	0.6
117.07013	4.2
119.04942	60.0
119.08578	18.7
120.04520	0.5
120.05244	2.5
120.08905	0.7
124.91756	0.3
129.07004	1.0
130.04160	0.4
132.05690	0.5
132.09355	0.6
132.77998	0.4
134.05670	0.4
136.67706	0.4
145.10092	1.6
147.04411	21.3
147.08054	2.5
147.11671	6.2
148.04758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05525	0.3
65.03936	13.0
68.65001	0.3
69.97916	1.0
69.98310	0.6
79.05489	0.5
84.04531	0.4
91.05475	100.0
92.05819	3.1
93.07030	0.8
95.04989	0.5
98.20827	0.5
103.05424	0.4
105.07049	2.0
111.04430	0.4
115.81460	0.3
117.07012	1.3
119.04933	74.7
119.08580	4.3
120.05265	3.5
129.06985	0.5
147.04404	21.6
147.08040	1.3
147.11656	1.0
148.04733	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03941	0.5
55.01869	0.6
55.05508	1.1
63.02354	0.3
64.34519	0.3
64.92788	0.3
65.03606	0.7
65.03938	11.5
65.04282	0.6
66.27699	0.3
67.05504	0.5
67.58367	0.3
69.07054	0.3
70.92082	0.6
70.92416	0.7
72.08153	0.4
73.08487	0.4
76.03136	0.4
78.96932	0.3
79.05495	1.9
81.03402	0.3
82.06577	0.3
83.06889	0.5
84.04492	1.1
84.08143	0.4
86.56645	0.3
89.03893	0.6
91.05476	100.0
92.04987	0.4
92.05812	3.2
93.07056	2.8
95.04958	1.3
101.07966	1.2
103.05469	1.4
104.06239	1.0
105.04510	0.4
105.07021	7.7
107.04923	0.7
115.05447	0.5
116.35078	0.3
117.07009	5.0
119.04935	61.5
119.08574	14.9
120.05267	3.1
123.96511	0.6
128.06200	0.8
129.07010	1.1
132.01988	0.3
132.05716	1.0
132.09299	0.4
145.06456	0.4
145.10149	0.4
147.04404	19.5
147.08034	4.1
147.09111	0.5
147.11725	2.3
148.04723	1.2
152.35954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15543	0.3
53.03938	0.5
54.29647	0.3
55.01881	0.3
55.05507	0.9
65.03939	11.4
66.04262	0.3
69.73930	1.0
69.74359	0.9
72.59546	0.3
79.05493	1.1
84.04469	0.5
88.26329	0.3
91.05478	100.0
92.05816	3.3
93.07042	2.8
95.04939	0.9
96.29273	0.3
103.05459	0.9
104.06246	0.8
105.04491	0.4
105.07037	4.5
107.04942	0.8
107.08598	0.6
115.05457	1.3
117.07008	3.6
119.04936	68.5
119.08575	11.6
120.05257	2.9
120.08893	0.3
120.62069	0.3
128.06226	0.5
129.04611	0.3
129.06981	1.1
130.24716	0.3
132.05704	0.5
132.09366	0.6
145.10136	0.6
147.04407	17.8
147.08015	3.3
147.11674	1.8
148.04758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65559	0.4
55.32125	0.4
65.03940	12.4
66.04273	0.8
70.05239	2.0
70.05640	0.7
91.05477	100.0
92.05819	3.9
93.07019	0.5
98.21562	0.5
103.05440	0.5
105.07024	2.4
107.52647	0.4
117.07018	1.4
119.04938	78.1
119.08596	3.4
120.05259	3.2
120.08911	0.5
129.06975	0.7
147.04402	21.2
147.08017	0.7
147.11633	0.9
148.04758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.61509	0.3
52.53081	0.3
55.05541	0.4
63.35412	0.4
65.03939	12.6
65.04284	0.8
69.52517	1.5
69.52946	1.3
72.84048	0.3
84.04504	0.8
91.05482	100.0
92.05815	3.5
92.40548	0.4
93.07060	0.6
95.04974	0.8
101.07937	0.6
103.05459	0.4
105.07031	2.9
107.04958	0.4
117.07009	1.0
118.04230	0.3
119.04942	75.7
119.08569	3.9
120.05267	2.8
129.07016	0.5
146.60924	0.4
147.04407	23.9
147.08061	1.5
147.11703	1.3
148.04742	1.4
169.88268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0812
Annotation	cis-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
53.03951	1.0
53.24052	0.6
55.05510	38.4
56.05035	11.0
58.06607	0.7
60.05639	1.2
64.81026	0.6
67.28073	0.6
69.03422	1.0
69.78408	3.0
69.78815	1.1
70.06590	2.2
70.29819	0.6
70.65852	0.6
74.02440	12.9
75.62926	0.6
80.05006	1.5
80.41857	0.7
82.00343	0.6
82.06578	100.0
83.06914	2.8
84.04510	2.7
84.08141	1.7
85.92348	0.6
86.06069	3.9
86.11918	0.6
87.04468	4.3
88.03996	1.5
88.67090	0.7
91.05476	0.8
100.07614	64.8
101.07165	0.7
101.07919	1.8
101.22730	0.6
108.57527	0.7
110.06062	0.7
119.04932	1.2
128.07085	13.5
128.08073	0.8
130.05002	2.1
146.08127	15.6
146.09242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.85302	0.4
62.83552	0.5
63.20397	0.4
65.03605	0.8
65.03941	13.0
70.18904	1.8
70.88701	0.4
82.06564	0.5
84.04502	0.9
91.05479	100.0
92.05805	3.1
95.04971	1.2
101.07935	0.7
103.05469	0.6
105.07042	1.0
117.06996	0.6
119.04939	80.2
119.08588	1.6
120.05257	3.2
147.04405	22.9
147.08134	0.6
148.04733	1.3
165.41200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0812
Annotation	cis-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
53.03939	1.2
53.58807	0.4
55.05511	36.1
56.05035	10.3
56.05857	0.4
56.96547	0.6
58.06615	0.8
59.06126	2.0
60.04528	0.4
69.03436	0.5
70.06589	1.8
70.64944	0.4
71.27245	1.0
72.08125	0.6
73.06564	0.6
74.02439	11.9
74.96622	0.5
80.05019	1.3
82.06579	100.0
83.06915	2.8
84.04504	5.9
84.08157	2.5
86.06075	1.4
87.04469	1.7
88.03991	3.6
91.05467	0.5
100.07616	63.4
101.07136	2.1
101.07927	1.1
105.06621	1.1
110.06062	0.5
119.04918	1.1
122.94075	0.5
128.07083	15.7
129.07413	0.7
130.05029	5.2
141.86435	0.5
146.06995	0.9
146.08134	14.2
146.09181	0.6
159.28979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
55.05509	4.6
56.05038	0.9
57.53512	0.6
59.06128	0.7
61.89244	0.7
65.03925	2.1
70.02730	3.0
70.96126	0.7
72.08158	1.0
74.02435	0.7
74.84226	0.6
82.06578	14.1
84.04497	0.8
88.07648	0.8
89.72367	0.6
91.05476	43.8
92.05788	1.4
95.04967	1.1
98.21480	1.2
100.07619	13.2
103.05486	1.2
117.05762	7.2
118.06538	100.0
119.04938	12.4
119.06853	4.3
119.08598	0.8
123.96452	0.8
128.04965	21.3
128.07053	1.8
129.05339	1.7
146.06004	59.0
146.07948	2.0
147.04408	3.1
147.06361	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
50.79128	0.7
55.05515	2.7
56.05013	0.9
58.65490	0.6
65.03945	1.7
69.86814	0.6
70.02773	3.4
74.02416	0.7
79.90401	0.7
81.60269	0.6
82.06577	7.1
83.11051	0.7
91.05479	42.0
92.05798	1.3
95.04995	0.8
97.56993	0.6
98.20846	0.8
100.07629	5.3
117.05762	8.2
118.06541	100.0
119.04934	4.4
119.06878	4.0
128.04019	1.5
128.04961	24.9
128.07059	1.3
129.04480	1.5
146.06003	61.8
147.04346	1.3
147.06339	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
51.02407	0.8
53.03928	1.9
55.05509	38.3
56.05032	9.0
56.96565	20.1
57.03431	1.9
58.06588	5.4
59.06089	1.2
60.04508	1.1
61.02900	0.8
62.86945	0.7
63.77687	0.7
64.55435	0.7
64.92795	1.7
65.03936	2.4
69.03414	3.3
70.06587	2.0
70.06960	0.8
70.70701	2.4
71.05005	1.4
72.08154	6.3
73.02908	1.8
73.06556	6.0
74.02439	10.5
78.13609	0.7
80.05046	0.9
81.03439	0.9
82.03725	0.8
82.06576	96.0
83.06908	3.0
84.04501	3.8
84.08150	4.3
85.02905	2.3
86.06043	1.5
87.04477	1.1
88.03985	1.9
91.05477	40.6
92.03125	1.2
94.14219	0.8
95.04968	1.9
97.02865	2.7
98.97577	11.6
99.04446	0.8
99.56193	0.6
100.02171	1.9
100.07612	72.0
100.11253	14.8
100.26167	0.6
101.07916	1.5
103.05450	3.4
105.25787	0.8
110.06026	1.5
112.11259	1.3
116.98617	9.6
117.05762	2.9
118.06540	15.7
119.01777	0.8
119.04932	16.7
119.08549	1.4
123.96445	2.6
128.04962	65.2
128.07056	16.3
128.98601	0.8
129.02246	1.0
129.04480	2.6
129.05310	2.9
130.04997	2.3
134.99648	6.7
140.00139	0.9
141.31467	0.8
146.06004	100.0
146.07973	15.4
146.99669	1.3
147.03288	2.2
147.04411	5.7
147.06407	3.7
147.08276	0.8
153.63147	0.8
158.99619	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01869	1.1
55.05513	4.6
56.05011	1.8
62.92995	7.2
64.01793	0.8
67.05489	3.3
69.03409	1.1
70.30625	2.4
70.60162	0.8
71.04983	3.3
74.02419	0.8
76.97669	0.8
79.05081	0.9
79.05477	5.8
81.03392	1.2
82.06576	21.9
85.02872	1.2
89.03921	1.0
91.05480	32.6
95.04960	2.2
97.02886	1.0
99.04452	6.3
100.07615	24.0
102.16091	0.8
103.05462	6.5
105.07026	100.0
106.07342	4.1
115.05451	42.1
116.06270	8.9
117.07016	63.5
118.06535	2.3
118.07352	2.3
121.96633	8.4
128.04922	1.1
128.05177	1.3
128.06221	15.4
128.07085	2.3
129.07002	24.9
130.07787	55.8
131.08139	2.2
135.08035	1.3
143.08569	10.0
144.08957	0.8
144.98254	0.9
145.03856	0.9
145.06561	4.4
145.07571	1.9
145.10117	43.6
146.05998	2.5
146.08081	4.2
146.10443	1.2
150.42738	0.8
155.06021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01869	1.1
55.05513	4.6
56.05011	1.8
62.92995	7.2
64.01793	0.8
67.05489	3.3
69.03409	1.1
70.30625	2.4
70.60162	0.8
71.04983	3.3
74.02419	0.8
76.97669	0.8
79.05081	0.9
79.05477	5.8
81.03392	1.2
82.06576	21.9
85.02872	1.2
89.03921	1.0
91.05480	32.6
95.04960	2.2
97.02886	1.0
99.04452	6.3
100.07615	24.0
102.16091	0.8
103.05462	6.5
105.07026	100.0
106.07342	4.1
115.05451	42.1
116.06270	8.9
117.07016	63.5
118.06535	2.3
118.07352	2.3
121.96633	8.4
128.04922	1.1
128.05177	1.3
128.06221	15.4
128.07085	2.3
129.07002	24.9
130.07787	55.8
131.08139	2.2
135.08035	1.3
143.08569	10.0
144.08957	0.8
144.98254	0.9
145.03856	0.9
145.06561	4.4
145.07571	1.9
145.10117	43.6
146.05998	2.5
146.08081	4.2
146.10443	1.2
150.42738	0.8
155.06021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
55.05504	0.2
56.05035	0.3
57.03413	0.2
57.07091	0.2
58.06599	2.1
59.07382	1.2
60.08154	0.6
67.05502	0.5
67.49223	0.1
69.03421	0.2
70.02631	0.9
70.06593	8.4
77.04105	0.1
80.79022	0.2
82.06593	0.2
84.04504	0.4
84.08143	3.2
85.02908	0.6
85.06537	0.7
94.21768	0.2
96.08138	0.4
98.06110	0.8
98.09692	100.0
99.04444	0.3
99.09447	0.2
99.10027	2.9
118.70477	0.2
119.01963	0.2
121.61507	1.5
144.03723	0.2
144.06616	0.3
144.10196	13.4
144.61758	0.3
145.10545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09513	0.2
55.05499	0.3
55.52118	0.2
56.05036	0.3
56.96569	0.2
57.03434	0.4
58.06602	2.6
59.07380	1.0
60.08163	0.5
67.05493	0.4
67.93068	0.2
69.63760	1.1
70.06590	7.9
71.05009	0.2
83.07365	0.3
84.04504	0.5
84.08139	3.6
85.02908	0.5
85.06548	0.5
91.00012	0.2
94.96999	0.2
96.08129	0.3
98.06084	1.0
98.09692	100.0
99.04453	0.5
99.10015	3.1
121.61536	1.4
144.10196	15.8
144.61807	0.3
145.10548	0.3
147.22806	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	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
56.05025	0.3
56.17970	0.2
56.96549	0.3
57.03433	0.4
58.06596	2.5
58.63105	0.2
59.07384	1.2
60.08166	0.3
67.05485	0.2
68.05019	0.3
69.03444	0.3
70.06592	9.4
71.04974	0.4
71.51699	0.4
74.06080	0.2
84.04502	0.5
84.08143	3.1
85.02908	0.8
85.06561	0.4
93.56145	0.2
96.08112	0.4
98.06088	1.2
98.09691	100.0
99.04454	0.4
99.09402	0.2
99.10004	2.8
121.61502	1.3
122.34718	0.2
126.96539	0.2
139.02682	0.2
139.29573	0.2
144.06583	0.4
144.10196	14.9
145.10548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0856
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
53.08871	0.4
55.01868	1.5
55.05505	0.9
59.05009	0.7
60.04507	0.5
60.95848	0.9
61.92825	0.4
65.03932	1.2
69.03426	6.4
69.07049	0.4
70.06583	1.4
71.01342	0.6
71.04989	0.5
71.58563	0.5
71.58989	0.7
72.67524	0.4
79.01849	0.5
81.04536	0.5
83.08565	0.5
84.04488	0.6
84.08125	0.8
85.02901	1.7
91.05480	6.2
95.06149	0.5
97.00822	1.0
97.02900	3.4
98.06033	2.8
98.09721	0.6
102.96870	0.8
103.05447	2.1
109.89285	0.4
115.05451	28.0
115.30580	0.4
116.05776	1.1
117.07028	0.6
119.96071	0.5
120.97898	1.3
121.00813	0.5
125.02344	3.0
126.05533	0.8
127.05447	1.7
128.01085	0.7
128.06221	100.0
129.06528	4.6
131.04875	0.4
133.06514	3.3
137.97121	0.8
137.99335	0.4
138.98936	1.9
139.01833	2.9
141.06987	3.9
142.07721	1.3
143.03395	44.3
143.04901	4.0
143.06038	3.9
143.08553	19.3
143.09697	0.7
144.03781	2.3
144.05493	0.7
144.06554	2.0
144.07957	1.9
144.09048	0.7
144.10114	0.4
145.06485	8.0
155.06023	5.1
155.98164	0.5
157.00026	0.7
162.00485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82911	1.6
57.55358	1.6
65.73497	1.4
70.99944	4.2
80.29482	1.4
81.25921	1.4
100.02501	1.8
101.00896	11.4
118.03535	11.2
119.01923	100.0
136.04527	11.7
137.02956	53.0
142.03505	15.5
160.04562	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.9
56.96555	7.6
57.56249	2.1
60.04523	2.5
69.03422	4.2
69.88857	8.9
69.89261	3.4
70.06594	2.9
73.31465	2.0
75.48859	1.9
77.33479	2.0
81.04545	5.1
84.04488	2.7
84.08118	3.7
97.02879	5.5
100.02515	3.2
101.00876	12.2
107.57755	2.1
114.05519	3.0
114.09143	3.0
118.03514	7.8
119.01919	100.0
120.02029	2.4
125.02370	6.7
136.04559	8.9
137.02960	47.4
142.03490	11.1
142.04958	2.3
142.08664	4.3
143.03381	24.4
160.04558	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01841	2.6
55.05495	5.9
56.05020	4.7
56.96566	11.0
58.99862	2.4
67.95882	1.1
68.05016	4.3
69.03407	4.2
69.07066	2.6
70.06587	18.4
71.01339	1.2
71.04984	1.3
71.57641	2.5
72.08150	2.5
77.00902	1.9
81.03403	1.2
81.04098	2.0
81.04534	22.4
82.06563	5.5
83.06086	2.0
84.04491	1.5
84.08140	19.4
85.02899	1.8
86.06081	1.7
95.06088	8.9
96.04485	2.3
96.08116	10.1
97.02866	2.3
97.07640	8.5
98.97559	1.8
100.02501	1.8
101.00869	13.1
114.05501	2.4
114.09165	19.6
118.03524	4.7
118.96725	1.4
118.98190	1.4
119.01917	100.0
120.01971	2.4
125.02332	2.1
125.07104	4.4
131.01863	1.2
136.04547	4.8
136.99171	2.7
137.02954	43.8
137.04039	2.4
142.03506	10.0
142.05000	1.9
142.08638	10.3
143.03397	12.7
143.08109	5.1
160.04596	3.6
161.02864	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03948	3.1
54.03466	1.5
55.01627	0.6
55.01872	8.4
55.05510	4.8
56.02192	0.4
56.05035	2.9
56.96560	6.8
57.04547	0.8
57.93564	0.8
58.02955	0.6
58.06579	0.8
59.04990	1.5
59.06104	0.9
65.03939	22.6
66.04259	0.5
66.04645	0.3
66.53276	0.4
67.01528	0.6
67.01863	6.3
67.03008	0.4
67.05504	7.4
68.05016	0.9
68.99789	16.6
69.03428	7.1
69.04562	0.4
69.07052	1.1
70.06578	1.2
71.01351	2.8
71.06115	1.0
71.57494	0.8
71.95270	0.8
72.04497	0.4
79.01847	0.3
79.05510	0.8
80.04983	0.8
81.04527	1.1
81.07050	0.9
82.02913	0.7
82.59371	0.3
83.04983	11.2
83.06087	2.4
84.04501	0.5
84.05645	0.5
85.07671	0.5
87.59754	0.3
91.05479	0.8
93.03402	12.1
93.07044	2.0
94.06572	0.6
95.04976	4.6
95.06073	2.1
95.08605	0.9
96.04483	0.9
96.05623	2.6
96.06246	0.4
97.02887	4.3
97.04820	1.6
97.06511	2.2
97.07649	1.2
98.07166	5.1
98.96936	0.5
98.97582	8.0
98.98463	3.0
99.00820	0.7
99.05585	1.5
105.04523	0.5
109.04766	0.4
110.07132	0.3
111.04440	42.1
111.08071	0.5
111.54312	0.3
112.04012	0.7
112.04768	1.3
112.08726	1.6
113.07116	0.9
116.97311	2.0
116.98615	11.3
116.99460	0.8
117.01814	0.4
121.02858	3.1
121.03802	0.6
121.06548	0.4
121.10141	0.8
122.03202	0.4
122.06085	0.5
122.07138	3.0
123.05553	3.0
125.02349	0.6
134.99654	16.2
136.06198	0.4
138.39980	0.4
139.03900	100.0
139.05807	7.7
139.07536	1.4
139.09767	3.9
139.11131	2.0
139.12201	0.6
140.03362	0.9
140.04285	3.5
140.07141	0.7
140.08147	3.2
141.06606	0.6
148.96124	0.4
153.00690	4.4
158.01250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00312	0.7
53.03937	5.6
53.12062	0.7
54.03464	1.9
55.01877	9.0
55.02986	1.0
55.05508	8.3
56.03765	1.1
56.05035	5.5
56.96563	12.3
57.04543	1.3
57.80275	0.8
57.93561	2.0
58.06591	2.3
59.04987	0.9
59.06107	1.5
60.05621	2.0
65.03938	29.7
67.01859	6.8
67.02972	1.0
67.05506	9.4
68.05021	2.2
68.99434	1.3
68.99789	18.5
69.03433	6.6
69.04531	1.4
69.07065	3.8
70.06583	2.8
71.01340	2.9
71.06101	1.4
71.31224	1.4
71.95238	1.6
72.08138	3.5
79.05469	2.8
80.05003	1.1
81.04522	2.9
81.07048	1.2
83.04982	13.3
83.06083	4.4
84.04488	1.8
85.07619	0.8
86.07190	2.1
91.05473	5.4
93.03400	14.4
93.07044	3.4
94.06595	1.2
95.04977	6.4
95.06078	4.8
95.08591	1.3
96.04543	1.1
96.05643	3.8
97.02896	4.9
97.06476	3.7
97.07617	1.9
98.06061	1.6
98.07187	7.1
98.97574	20.4
98.98478	2.2
99.05570	2.3
103.05459	1.3
105.07055	1.1
109.06483	0.8
111.04433	48.9
112.03933	1.7
112.04689	0.8
112.08710	2.8
113.07112	2.2
114.10268	3.1
116.97213	3.0
116.98608	24.5
119.04918	4.4
121.02860	5.3
121.03985	0.9
121.06516	1.8
122.07130	3.5
123.05541	4.3
124.04196	0.9
134.99646	26.0
136.05180	1.3
139.03896	100.0
139.08722	1.9
139.09787	6.3
139.11096	1.1
140.03310	1.2
140.04250	4.3
140.08182	5.9
141.06569	0.9
147.04393	3.5
152.42551	0.7
153.00728	6.8
158.01228	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03930	0.7
65.03937	1.9
67.05508	1.5
69.77688	0.5
69.78102	1.4
70.70956	0.2
78.03440	0.5
79.04227	0.5
92.05005	4.2
93.05782	1.1
94.06565	23.9
95.06889	0.3
96.04494	4.4
106.67523	0.2
110.06037	22.9
111.06367	0.6
136.03841	0.3
138.05495	100.0
139.05833	2.3
154.05000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
56.00729	0.2
56.60381	0.2
59.61930	0.2
62.04379	0.2
65.03935	2.2
66.03458	0.2
67.05499	1.4
69.48037	1.5
78.03451	1.0
78.60149	0.3
79.04230	0.6
85.18788	0.2
92.05002	4.9
93.05781	1.7
94.06568	28.1
95.06889	0.8
96.04493	5.4
97.10264	0.2
98.20692	0.5
103.42970	0.2
110.06040	27.5
111.06400	0.5
138.05498	100.0
139.05846	3.2
154.05035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	2-Hydroxy-5-methylquinone
Peak:m/z	Relative Intensity
53.03732	1.4
53.03949	12.4
54.03461	4.7
55.01873	20.9
55.05510	8.3
56.03769	1.1
56.05040	10.2
56.96566	43.2
57.03446	1.5
57.04558	1.6
57.24763	0.9
57.93557	4.1
58.06587	2.6
59.05000	3.0
59.06126	2.0
65.03941	60.2
66.04276	1.9
67.01869	16.1
67.02995	2.1
67.05505	25.6
68.02625	1.4
68.05020	4.2
68.05838	1.4
68.99791	40.0
69.03426	14.3
69.04539	2.1
69.07046	3.2
70.00128	1.2
70.06597	5.2
71.01352	7.0
71.04999	1.4
71.06119	2.6
71.22477	2.4
71.95262	5.9
79.01859	2.2
79.05486	3.8
80.05006	2.7
81.03423	2.6
81.04559	5.7
81.07047	1.4
82.02927	1.2
82.06562	1.7
83.04986	17.7
83.06093	8.2
84.04496	3.8
84.05652	1.3
84.08135	2.1
84.83440	1.1
86.06100	1.0
91.05483	3.0
93.03406	33.2
93.07047	6.3
94.04192	1.1
94.06583	6.7
95.01342	1.2
95.04974	17.4
95.06090	8.9
95.06907	4.6
95.08608	2.2
96.02100	1.2
96.04507	4.2
96.05664	5.2
96.08173	1.8
97.02888	10.4
97.04001	1.1
97.04810	1.8
97.06499	5.0
97.07667	2.1
98.06050	3.6
98.07176	8.5
98.97584	42.5
98.98461	10.6
99.00800	2.2
99.05611	2.2
105.04506	1.3
110.06011	2.2
111.00797	1.2
111.04446	68.4
111.05635	2.0
111.06295	6.3
111.08096	1.2
112.03976	5.4
112.04726	1.6
112.07606	2.3
112.08730	3.4
113.07130	2.5
116.97228	5.7
116.98619	72.5
117.08810	1.1
121.02872	31.0
121.03958	2.9
121.06540	1.8
121.10139	2.3
122.06026	3.8
122.07137	6.3
123.05539	6.2
125.02377	3.7
134.03011	3.7
134.99660	91.2
138.05505	2.1
139.03911	100.0
139.05797	22.6
139.07535	2.1
139.08745	2.1
139.09723	5.0
139.11212	2.9
139.12320	2.3
140.00226	1.7
140.03403	3.8
140.04398	2.3
140.07092	2.7
140.08192	9.4
141.06596	1.5
152.04085	1.3
153.00719	23.6
158.01257	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	137.1325
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02376	0.8
53.03945	4.4
54.03458	1.0
55.01867	2.3
55.05509	9.1
56.05033	1.0
56.93836	0.6
57.07072	12.5
58.99510	0.7
63.67549	0.6
65.03944	6.5
66.04715	7.8
67.05499	40.2
68.05029	1.3
68.05848	1.2
69.03428	4.0
69.04553	1.2
69.07061	7.6
71.58303	0.8
71.58659	1.0
72.04503	0.9
79.05489	18.2
80.05016	1.1
81.03419	3.3
81.04543	1.5
81.07050	70.2
82.06587	3.0
82.07385	2.6
83.06104	0.8
91.05476	13.6
93.07039	12.9
94.04181	52.6
94.06561	8.8
95.04472	1.4
95.04970	7.5
95.08600	100.0
95.83910	0.6
96.04483	11.3
96.05598	1.4
96.08913	4.1
97.06396	4.0
97.07687	0.6
98.04787	1.2
105.03387	0.6
105.04482	1.1
107.04953	2.9
107.08588	2.2
108.09357	1.4
109.06503	4.7
109.10150	10.7
110.06045	6.1
110.07146	3.5
110.09656	1.2
111.05596	0.9
119.04922	1.9
119.08578	1.1
120.04483	1.9
120.05488	0.8
122.03640	59.2
122.07277	4.0
122.08077	0.6
122.10882	0.6
123.03966	2.4
123.06808	4.3
135.04240	0.7
137.02499	4.3
137.05960	72.4
137.08188	2.4
137.09579	5.5
137.13235	8.3
138.01729	1.6
138.05475	22.1
138.06389	3.5
138.09148	8.1
138.10114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02372	1.1
53.03941	5.2
54.03466	1.3
55.01860	1.4
55.05507	6.7
55.11964	1.0
57.07072	13.9
65.03936	6.8
66.04708	8.7
67.05499	39.7
68.05013	1.9
68.05826	1.5
69.03431	4.5
69.07065	6.2
69.39414	9.3
71.08607	0.9
78.09872	1.0
79.05067	1.5
79.05485	17.1
80.05838	1.1
81.03390	3.1
81.04532	2.1
81.07052	66.1
82.06558	2.3
82.07359	2.2
91.05473	15.0
93.06480	1.4
93.07037	14.7
94.04181	54.2
94.06568	10.0
95.01268	1.1
95.04481	2.4
95.05005	9.5
95.07314	2.9
95.08600	100.0
96.04490	13.8
96.05547	1.0
96.08916	4.3
97.06381	5.2
97.07612	1.1
98.04771	1.4
105.04507	1.4
107.04918	3.1
107.08598	1.6
109.06534	4.9
109.10137	11.6
110.06033	7.8
110.07146	4.0
119.04922	1.5
119.08604	1.6
120.04470	2.9
121.06448	1.3
122.03641	66.4
122.07270	3.4
123.03973	2.6
123.06815	7.1
137.02504	5.1
137.05951	76.7
137.09599	7.7
137.13217	7.5
138.01741	2.3
138.05470	28.1
138.06395	3.9
138.08090	1.8
138.09113	15.2
138.10132	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03958	2.9
55.01895	2.2
55.05521	2.9
56.27462	0.6
56.96574	1.0
57.07069	0.6
60.01959	0.7
61.27478	0.6
63.93088	0.6
65.03935	4.1
66.04720	10.4
66.05024	0.9
67.05503	34.2
67.73369	0.5
68.05045	0.9
68.05855	0.9
69.03434	2.5
69.04563	1.1
69.07088	1.6
71.57974	1.3
77.03937	0.8
79.05492	10.8
81.03429	1.8
81.04552	1.2
81.07052	16.2
82.89211	0.6
83.06117	0.7
91.05482	20.1
92.05006	0.8
92.05835	1.2
93.07040	6.7
94.04184	53.3
94.06540	4.1
94.07841	1.9
95.04451	1.0
95.04968	8.3
95.06068	0.6
95.08601	10.2
96.04495	2.8
97.06390	4.2
103.05473	1.8
104.06255	1.0
105.03324	0.8
105.04512	1.4
107.04953	28.0
107.08596	3.1
109.02869	0.9
109.06512	4.3
109.10152	30.1
110.06062	4.1
110.07164	3.5
110.10494	1.1
111.05569	1.2
111.09183	0.7
117.07032	2.2
119.08580	16.1
120.04505	1.0
121.06511	10.0
122.03648	63.4
122.07284	100.0
123.04018	1.4
123.07627	3.0
127.03982	0.8
134.54395	0.6
135.08075	4.2
137.02467	4.1
137.05966	77.6
137.09607	67.5
138.01851	0.8
138.05479	18.4
138.06395	3.7
138.09032	0.7
138.09993	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85767	0.7
51.02402	0.9
51.53672	0.7
53.03945	4.6
54.03503	0.8
55.01880	4.4
55.05513	9.3
56.02377	0.7
56.05080	0.8
56.96593	1.1
57.03460	1.5
57.07100	0.8
65.03942	6.3
66.04723	5.3
67.05504	72.8
68.05058	1.3
68.05856	1.7
69.03423	5.3
69.04556	1.4
69.07062	3.8
71.35455	1.4
75.02128	0.7
77.03981	0.8
79.05492	17.3
81.03410	6.7
81.04521	5.0
81.07057	31.2
82.06602	0.9
82.07411	1.0
83.05003	3.4
83.06114	1.9
91.05482	39.1
92.05852	1.8
93.07034	12.6
93.07533	1.1
94.04181	36.8
94.06569	6.4
94.07853	2.0
95.04980	18.5
95.06120	1.5
95.08603	14.2
95.09158	1.0
96.04527	2.4
96.05656	2.4
97.06396	5.8
97.07049	0.7
98.04869	0.8
103.05497	2.2
104.06261	1.6
105.04520	1.5
105.07075	1.7
107.04957	33.6
107.08578	5.3
108.05773	4.1
109.06514	50.9
109.10150	48.1
109.43886	0.6
110.06054	6.1
110.07227	4.7
110.10516	1.8
111.04449	0.8
111.05578	1.9
115.05463	0.7
117.07004	4.4
119.04926	1.2
119.06055	2.6
119.08577	20.0
120.04507	0.9
121.02894	0.8
121.04041	0.8
121.06513	9.8
122.02734	1.3
122.03649	38.5
122.07281	100.0
123.03991	1.5
123.07595	4.1
127.03893	1.3
135.08084	4.3
137.02461	6.3
137.03381	1.6
137.05956	46.5
137.09612	77.3
138.01686	1.4
138.05493	24.2
138.06461	3.5
138.09061	0.9
138.10045	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
54.03468	5.1
55.01871	7.1
55.05510	6.4
56.03757	1.2
56.05010	1.8
56.96535	1.3
57.03439	1.2
57.07064	1.2
65.03939	8.1
66.04726	12.7
67.05504	42.3
68.05010	3.1
68.05817	1.0
69.03402	3.0
69.04543	4.3
69.07047	3.8
70.02952	1.4
70.06582	0.9
70.67425	0.8
70.92062	2.3
72.04491	2.1
79.05073	1.1
79.05490	19.7
80.04990	2.6
81.03431	8.2
81.04541	14.6
81.05790	1.0
81.07058	26.2
82.06556	2.4
83.06091	2.6
91.05479	32.0
92.04976	1.4
92.05811	2.0
93.03380	1.0
93.04507	1.5
93.07043	13.9
94.04186	79.0
94.06561	10.7
94.07784	1.3
95.04563	1.9
95.04989	16.6
95.06062	3.4
95.07344	1.0
95.08606	25.4
96.04533	4.9
96.05641	5.5
96.06864	1.7
97.04018	1.2
97.06407	14.5
97.07066	1.6
97.07652	2.6
98.04778	3.5
99.97190	1.0
105.04491	1.2
107.04951	14.9
107.08582	2.6
108.05653	1.5
109.02824	1.9
109.05346	1.0
109.06520	20.9
109.07630	1.5
109.10160	20.5
110.01452	1.0
110.03535	1.4
110.06040	12.0
110.07174	15.9
110.07932	0.9
111.05576	5.1
119.03556	1.4
119.04935	2.8
119.06007	1.0
119.08572	9.9
120.04539	1.7
120.05569	3.8
121.06474	4.1
121.07542	1.5
122.03649	78.3
122.07282	41.0
123.03967	2.7
123.06778	2.1
123.07589	1.8
127.03893	1.8
135.04407	1.0
135.08043	2.3
137.02483	10.5
137.03511	2.3
137.04602	6.1
137.05946	100.0
137.08084	6.2
137.09581	37.5
137.10654	2.4
137.13275	1.8
138.01758	1.9
138.05505	41.9
138.06473	6.5
138.09071	4.8
138.10187	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02383	0.5
53.03946	2.7
54.03472	1.3
55.01883	2.3
55.05513	1.5
56.05049	0.8
59.34541	0.4
65.03939	3.9
66.04724	11.6
67.05116	0.6
67.05502	9.0
68.05035	0.7
69.03423	0.9
69.04546	1.6
69.07088	0.8
70.02946	0.7
70.06580	0.7
70.93032	1.3
72.04499	0.6
72.28034	0.4
77.03934	1.4
79.02968	0.6
79.05492	8.8
80.05011	0.8
80.12629	0.4
81.03430	2.0
81.04545	2.8
81.07056	8.4
82.06577	1.3
83.06103	1.0
91.05482	11.6
92.05006	0.8
92.05810	0.6
93.07040	3.8
94.04186	76.3
94.06548	4.6
95.04499	1.8
95.05014	5.2
95.08607	5.4
96.04472	1.4
96.05611	1.7
97.06396	5.0
97.07664	0.7
98.04816	0.6
105.03405	1.2
105.04507	1.3
106.42810	0.4
107.04949	4.0
107.08596	0.6
109.02843	0.7
109.06525	4.5
109.10146	2.6
110.06043	4.2
110.07166	3.5
111.05554	1.5
117.07035	0.4
119.04935	1.1
119.08577	1.2
120.04525	0.8
121.02849	0.6
121.06488	0.6
122.03649	81.9
122.07248	3.4
123.03978	3.5
123.06844	0.5
135.04443	1.1
137.02509	4.0
137.05968	100.0
137.09589	4.6
137.10646	0.8
138.01787	0.9
138.05484	17.1
138.06409	4.8
138.09126	1.6
138.10222	1.1
159.44150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.85767	0.7
51.02402	0.9
51.53672	0.7
53.03945	4.6
54.03503	0.8
55.01880	4.4
55.05513	9.3
56.02377	0.7
56.05080	0.8
56.96593	1.1
57.03460	1.5
57.07100	0.8
65.03942	6.3
66.04723	5.3
67.05504	72.8
68.05058	1.3
68.05856	1.7
69.03423	5.3
69.04556	1.4
69.07062	3.8
71.35455	1.4
75.02128	0.7
77.03981	0.8
79.05492	17.3
81.03410	6.7
81.04521	5.0
81.07057	31.2
82.06602	0.9
82.07411	1.0
83.05003	3.4
83.06114	1.9
91.05482	39.1
92.05852	1.8
93.07034	12.6
93.07533	1.1
94.04181	36.8
94.06569	6.4
94.07853	2.0
95.04980	18.5
95.06120	1.5
95.08603	14.2
95.09158	1.0
96.04527	2.4
96.05656	2.4
97.06396	5.8
97.07049	0.7
98.04869	0.8
103.05497	2.2
104.06261	1.6
105.04520	1.5
105.07075	1.7
107.04957	33.6
107.08578	5.3
108.05773	4.1
109.06514	50.9
109.10150	48.1
109.43886	0.6
110.06054	6.1
110.07227	4.7
110.10516	1.8
111.04449	0.8
111.05578	1.9
115.05463	0.7
117.07004	4.4
119.04926	1.2
119.06055	2.6
119.08577	20.0
120.04507	0.9
121.02894	0.8
121.04041	0.8
121.06513	9.8
122.02734	1.3
122.03649	38.5
122.07281	100.0
123.03991	1.5
123.07595	4.1
127.03893	1.3
135.08084	4.3
137.02461	6.3
137.03381	1.6
137.05956	46.5
137.09612	77.3
138.01686	1.4
138.05493	24.2
138.06461	3.5
138.09061	0.9
138.10045	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	1.1
53.03948	4.6
54.03465	1.4
54.50735	0.6
55.01855	2.6
55.05501	3.0
56.96558	0.9
57.03426	0.9
57.07056	0.8
61.01111	0.8
65.03942	5.1
66.04390	0.8
66.04724	12.7
67.05502	20.7
68.05017	0.7
69.03407	2.2
69.04552	1.0
69.07047	2.1
71.57433	0.9
72.04504	0.8
77.03910	1.5
79.05492	12.6
80.05012	0.8
81.03430	3.1
81.04536	3.5
81.07055	17.3
82.06573	1.2
83.06075	1.8
91.05482	25.2
92.04991	1.1
92.05822	1.7
93.07040	12.7
94.04185	72.1
94.06557	5.1
95.04549	1.3
95.04985	11.9
95.06039	0.8
95.08604	19.2
96.04463	1.8
96.05629	1.5
96.08978	0.8
97.06390	6.1
98.04773	1.4
105.03358	1.5
105.04518	1.5
107.04960	5.4
107.08572	0.9
109.02856	0.8
109.06512	10.1
109.10158	8.0
110.06060	4.9
110.07177	4.6
110.48289	0.7
111.05556	1.1
117.07027	0.7
119.04922	2.1
119.08585	5.5
120.04507	0.8
121.06524	1.0
121.07575	0.8
122.03649	80.1
122.07272	8.1
123.03996	3.2
135.08040	0.7
137.02551	3.2
137.05966	100.0
137.08182	2.0
137.09613	13.9
138.01772	0.8
138.05479	15.9
138.06424	3.4
138.10217	1.1
139.05702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02385	1.2
53.03949	2.6
53.20069	0.4
54.03468	0.7
55.01868	1.4
56.03753	0.5
57.03442	0.5
65.03934	3.7
66.04720	12.4
67.05501	7.3
68.05022	0.9
69.03416	1.0
69.04557	1.0
69.07069	0.6
70.47211	0.6
70.47614	1.1
72.04537	0.6
77.03929	1.1
79.05490	6.9
80.04995	0.7
81.03410	1.8
81.04534	2.4
81.07045	7.0
82.06590	0.9
83.06117	0.6
91.04909	0.5
91.05479	10.0
92.05008	0.7
92.74707	0.4
93.03419	0.5
93.05795	0.5
93.07043	3.2
94.04182	75.6
94.06556	4.2
95.04489	1.4
95.05003	5.2
95.06051	0.6
95.08602	4.6
96.04491	1.9
96.05609	1.0
96.06904	0.5
97.06398	4.3
97.07676	0.8
98.04811	0.8
98.20775	0.5
101.19248	0.4
105.03392	1.2
105.04503	1.4
107.04951	4.4
107.08589	0.6
109.06517	4.1
109.07671	0.5
109.10164	2.6
110.06055	4.1
110.07169	4.6
111.05540	0.6
119.04949	0.9
119.08551	1.1
120.04510	0.7
121.02859	0.5
121.07591	0.4
122.03644	88.9
122.07265	3.7
123.03986	2.8
127.03880	0.5
135.04433	0.9
137.02530	3.4
137.05965	100.0
137.09592	3.7
138.01782	0.9
138.05482	14.9
138.06395	4.2
138.10207	0.8
151.85449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01582	0.4
50.92373	0.3
51.02385	0.7
53.03946	2.7
54.03464	0.8
55.01862	1.2
55.05497	0.9
56.05021	0.4
62.68781	0.3
65.03940	4.0
65.87053	0.4
66.04721	11.2
67.05500	5.1
68.05012	0.6
68.99789	0.4
69.03419	1.1
69.04548	0.4
70.06586	0.9
71.24966	0.4
71.25303	0.5
77.03931	1.1
79.05489	6.8
80.05025	0.4
81.03426	1.3
81.04540	1.8
81.07053	5.5
82.06566	0.5
83.06101	0.6
91.05477	8.5
92.05019	0.5
93.03407	0.5
93.07050	1.9
94.04184	73.5
94.06541	3.1
95.04399	2.0
95.05028	3.9
95.06087	0.5
95.08604	3.5
96.04494	1.2
96.05614	1.0
97.06399	2.9
105.03373	1.0
105.04515	0.7
107.04945	4.3
107.08593	0.4
109.02775	0.4
109.06506	3.7
109.10169	2.0
110.06034	2.8
110.07172	1.8
110.07885	0.5
111.05589	0.7
117.07025	0.3
119.04973	0.6
119.06045	0.4
119.08559	1.0
121.06545	0.5
122.03645	84.2
122.07276	4.7
123.03965	3.5
123.12973	0.4
123.70095	0.4
135.04376	1.0
137.02533	1.6
137.05971	100.0
137.09555	4.2
138.01677	0.4
138.05481	10.1
138.06378	3.7
138.10213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02400	1.1
52.94328	0.6
53.03963	2.5
55.01868	2.8
55.05517	0.7
56.96561	0.6
57.07079	0.6
65.03934	4.1
66.04722	13.5
66.05061	0.8
67.04281	0.5
67.05502	7.0
68.05038	3.2
69.03426	11.4
69.03754	0.8
71.01382	0.8
71.59014	1.0
77.03939	1.5
79.05492	8.8
80.60893	0.6
81.03429	2.3
81.07058	6.9
82.06573	4.2
89.26867	0.6
91.05479	9.9
91.06004	0.6
93.07044	2.9
94.04184	72.2
94.06577	1.8
95.04499	1.5
95.04988	5.3
95.08595	4.2
96.04487	38.5
97.02897	2.0
105.03432	1.0
105.04559	0.8
107.04974	2.9
109.02842	0.6
109.06515	4.8
109.10181	1.4
110.06037	3.0
119.04987	0.8
119.08567	0.7
120.04507	0.6
122.03645	87.3
122.07278	1.1
123.03986	2.9
135.04359	1.1
137.02527	3.2
137.05965	100.0
137.09540	2.8
138.01735	1.1
138.05484	11.7
138.06367	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02393	1.0
58.41900	0.9
65.03933	2.9
65.99079	0.9
66.04717	13.3
66.82682	0.9
66.86725	0.9
67.05496	1.2
69.03417	1.2
69.33083	1.7
69.33482	8.6
74.34846	0.9
75.84012	1.0
77.03891	1.6
79.05492	5.4
81.07043	2.4
90.89391	1.0
91.05483	4.1
94.04182	87.6
95.04482	2.4
95.05005	2.4
96.04502	2.4
107.04958	3.3
109.06506	1.2
122.03647	90.4
123.03975	2.2
135.04422	1.5
135.25398	1.0
137.05975	100.0
138.06297	5.4
142.91292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02382	0.8
53.03951	3.1
54.03469	1.2
55.01866	2.6
55.05512	1.8
57.03438	0.8
65.03941	3.9
66.04720	11.7
67.05505	9.6
68.05025	0.6
69.03440	1.2
69.04551	1.4
69.07079	0.7
70.02936	0.7
71.57554	0.6
71.57922	0.6
72.04514	0.7
75.39108	0.5
77.03923	1.0
79.05493	9.6
81.03422	3.6
81.04549	3.2
81.07058	8.5
82.03001	0.5
82.06578	1.3
91.05482	11.9
92.05001	0.9
93.07052	3.8
94.04183	76.4
94.06552	3.8
95.04497	1.9
95.05008	5.9
95.06049	0.8
95.08612	5.8
96.04511	1.5
96.05615	0.9
97.06395	4.3
97.07655	0.9
98.04787	0.6
103.05421	0.8
105.03388	1.6
105.04469	0.6
107.04961	5.9
107.08596	0.6
109.02853	0.6
109.06521	6.9
109.07651	0.6
109.10168	4.2
110.06035	3.7
110.07175	3.9
111.05581	0.9
119.04898	0.9
119.08582	1.6
120.05614	0.8
121.06491	1.2
122.03645	90.0
122.07275	10.6
123.03967	3.4
135.04527	0.5
135.95604	0.6
137.02484	5.1
137.05966	100.0
137.09607	10.0
137.10649	0.8
138.05486	13.3
138.06400	4.7
138.10173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03946	2.2
54.03472	1.5
56.05049	0.7
56.96564	1.3
59.07032	0.6
65.03938	4.2
66.04714	0.7
67.02988	0.8
67.05499	1.5
68.05026	2.6
69.03420	1.4
71.41113	0.8
71.41454	0.7
79.05492	2.8
80.05013	3.9
80.05806	1.2
81.03400	2.7
81.04539	2.4
81.07070	2.8
82.06602	1.4
83.06118	0.7
90.04695	0.6
91.05481	100.0
92.02503	0.8
92.05814	3.2
93.05804	1.9
93.07014	2.8
94.04151	7.4
94.06573	3.7
95.04977	2.6
95.06079	2.4
95.08614	1.3
96.06884	3.3
97.06404	2.0
107.04949	4.8
108.04494	2.1
108.05295	1.1
108.08132	1.4
109.01102	4.3
109.02880	1.0
109.05101	0.9
109.06509	4.9
109.07628	3.1
110.07167	3.0
112.05183	0.7
113.05917	1.8
114.18626	0.6
115.21188	0.7
117.05756	1.9
118.06550	17.0
119.03565	12.4
119.04926	16.0
119.06039	1.1
119.06795	0.6
122.03660	5.7
131.01939	1.1
136.01265	0.7
136.02165	32.4
136.03949	2.4
136.06192	86.9
136.07564	16.1
136.08664	3.0
136.11156	0.9
137.02431	3.7
137.03505	0.9
137.04584	10.4
137.05984	10.0
137.08173	1.6
137.10718	1.0
140.23293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.5
51.02375	1.4
53.00294	1.1
53.03948	13.2
54.04282	0.6
55.01871	17.9
55.05508	1.2
57.07072	0.9
57.24258	0.5
63.02378	0.7
65.03932	3.5
66.04722	7.2
67.01848	0.4
67.05508	9.6
68.05024	1.4
68.99784	3.1
69.03432	4.7
69.04543	0.5
69.07079	0.8
71.01361	5.4
71.28990	0.7
77.03931	1.0
79.01849	0.5
79.05490	8.7
81.03417	81.0
81.07053	11.4
81.28462	0.5
82.03741	1.7
82.06570	1.5
83.06105	0.5
91.05480	10.7
92.05817	0.6
92.34517	0.4
93.07035	5.1
94.04185	46.6
94.06542	2.3
95.01292	0.5
95.04458	0.9
95.04974	7.3
95.08600	10.7
96.04491	12.6
96.05643	0.6
97.02839	0.9
97.06393	1.9
105.04476	0.6
107.01317	11.6
107.04948	2.1
107.18701	0.5
108.16911	0.4
109.02874	16.8
109.06507	6.9
109.10165	2.5
110.06045	2.0
110.07191	2.3
110.07872	0.5
119.04947	1.1
119.08564	1.5
119.43625	0.5
120.04465	0.7
121.02840	0.7
121.06498	0.4
122.03648	54.5
122.07262	2.8
123.03941	1.5
125.02357	1.4
127.03917	30.7
128.04243	1.4
135.04361	0.5
137.02316	100.0
137.03430	60.3
137.05952	69.1
137.08144	1.5
137.09581	5.5
138.01746	0.7
138.02654	3.5
138.03767	2.0
138.05467	9.7
138.06380	2.2
138.09076	0.9
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
53.03944	1.4
54.03462	0.8
55.01862	0.7
55.05509	0.9
57.07103	0.5
65.03930	1.2
66.04728	1.1
67.02986	1.5
67.05487	2.4
68.05022	3.1
69.03404	0.9
70.93400	1.0
70.93741	0.7
79.02309	0.5
79.05491	2.5
80.05010	1.5
80.05817	1.3
81.03410	1.4
81.04526	2.4
81.07070	2.6
88.94424	0.5
91.05478	6.0
92.02489	1.4
92.04952	0.5
92.05814	2.9
93.05797	1.1
93.07042	2.5
94.04140	9.3
94.07368	1.5
95.04951	3.0
95.06079	2.7
95.08594	1.3
96.06874	4.2
97.06416	2.3
105.07037	0.6
106.07337	1.4
107.04962	0.6
107.08590	1.0
108.04504	0.9
108.05251	0.7
108.08137	1.1
108.08914	2.6
109.01109	3.6
109.05121	0.7
109.06526	2.4
109.07631	4.8
109.10152	1.6
110.07153	2.1
112.05058	0.8
112.67548	0.5
118.06500	0.7
118.07275	0.5
119.03550	14.0
119.06052	0.7
121.06442	0.9
122.03654	8.3
122.07284	1.6
136.01111	1.0
136.02164	19.4
136.06186	100.0
136.08627	3.1
136.12054	0.8
137.02393	1.9
137.03528	1.1
137.04585	12.7
137.05980	11.2
137.09596	2.0
140.86319	0.6
145.27118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
55.02974	0.3
59.39384	0.1
65.44775	0.1
67.02984	1.1
69.62740	0.3
69.63142	0.5
77.01375	0.1
80.23632	0.1
82.04054	0.3
91.05489	0.9
92.02487	1.4
94.04050	5.8
95.04334	0.2
109.05132	1.4
112.05089	0.7
112.85428	0.1
119.03548	17.0
120.03893	0.5
131.01913	0.2
136.06181	100.0
137.04587	12.6
137.05557	0.2
137.06590	2.6
138.04941	0.5
149.02930	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02367	1.2
53.03949	8.5
55.01862	1.5
55.05509	8.8
57.07057	1.6
57.87939	1.1
59.01784	1.2
60.96621	0.9
65.03940	4.4
67.05495	4.9
68.05039	2.4
69.03414	1.1
69.07065	4.2
69.76926	7.2
72.73714	1.1
75.92721	0.9
77.03922	1.1
79.05493	31.9
79.39288	0.9
80.05038	2.2
80.05805	1.2
81.03419	1.1
81.07055	5.0
89.03934	1.1
91.05480	71.4
92.05791	2.7
92.06303	1.1
93.07043	60.6
94.04055	2.8
94.07375	1.7
95.04970	16.9
95.06104	1.4
95.08598	2.3
96.06882	2.6
98.21478	1.9
103.05482	2.2
104.06279	1.1
105.04522	2.2
105.06309	1.3
105.07031	32.0
107.04958	7.6
107.08595	100.0
108.08244	1.0
108.08929	4.3
109.01102	5.2
109.06520	13.9
115.05479	3.5
117.07034	5.8
119.03558	6.2
119.06074	4.6
119.08582	22.7
120.09386	6.4
133.10175	2.1
135.04436	5.8
135.05408	1.1
135.06488	1.4
135.08061	6.4
135.10696	1.6
135.11699	29.7
136.02165	37.4
136.03877	2.2
136.06190	50.0
136.07507	3.5
136.08578	2.1
137.04591	4.5
137.09621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02377	1.1
51.43828	1.1
52.43919	1.0
53.03944	11.6
55.01856	4.8
55.05512	15.1
57.07050	1.4
65.03943	6.5
67.05502	24.1
69.03431	1.3
69.07066	7.2
75.55695	1.2
77.03924	2.3
77.99557	1.1
79.05494	86.2
80.05014	2.4
80.05832	2.4
81.03442	1.4
81.07059	22.8
91.05481	55.9
92.05766	1.8
93.07042	100.0
94.04070	2.4
94.07378	2.4
95.04971	23.6
98.87267	1.3
99.77938	1.3
105.04528	2.8
105.07031	11.2
107.04947	6.8
107.08593	53.6
108.08170	1.7
108.08916	2.2
109.01104	12.1
109.06512	5.5
112.03970	2.1
115.05454	3.9
117.07013	5.5
118.06532	1.4
118.41195	1.3
119.03554	8.3
119.06081	3.0
119.08570	3.2
120.05735	1.1
120.09284	1.8
135.04411	7.8
135.05441	2.9
135.06456	1.3
135.08080	12.8
135.11694	24.4
136.02164	96.1
136.03917	3.8
136.06178	60.4
136.07481	3.2
136.11165	1.8
137.04568	5.6
154.05103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	6.0
53.75129	0.7
55.05512	11.6
56.79370	0.8
57.07069	1.6
65.03931	5.0
67.05508	3.8
69.07087	3.9
71.16412	1.4
71.16757	0.9
74.75591	0.7
77.03936	1.0
79.05015	1.3
79.05489	26.0
80.05827	1.2
81.03404	0.9
81.07059	3.3
82.55518	0.8
82.63075	0.8
91.05479	81.1
92.05782	2.0
92.06289	1.7
93.07040	50.6
94.07335	1.2
95.04968	12.6
95.08626	1.3
103.05480	2.4
104.06288	1.2
105.04523	3.0
105.07028	42.6
106.07870	1.3
107.04970	1.6
107.08589	100.0
108.08935	3.4
109.06512	15.3
115.05474	1.8
117.07007	3.9
119.06114	4.3
119.08585	23.8
120.09402	7.9
124.05231	0.9
133.10136	3.2
135.08040	3.7
135.11684	21.7
136.02180	4.0
136.06189	4.6
137.09700	1.4
151.22108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02390	0.9
53.03946	6.8
54.03474	0.9
55.01866	1.8
55.05309	0.9
55.05514	10.5
57.07054	1.4
65.03938	6.4
67.02981	1.1
67.05494	3.8
68.05025	2.0
69.03415	1.2
69.07064	2.5
75.17303	0.7
79.05494	33.7
80.05017	2.4
80.21699	0.8
80.90514	0.8
81.07067	4.6
82.06562	1.0
89.03909	4.5
91.05483	69.4
92.05788	3.1
92.06297	1.6
93.07045	57.9
94.02853	1.0
94.04043	2.8
94.07339	1.3
95.04977	17.7
95.06075	1.8
96.06864	2.2
103.05447	2.3
104.06245	2.1
105.04513	3.7
105.07033	36.9
106.07310	1.7
107.04951	8.9
107.08595	100.0
108.08168	1.4
108.08923	4.1
109.01108	3.7
109.06514	10.8
109.07627	4.1
115.05454	2.8
117.03400	0.9
117.07024	4.7
119.03578	6.5
119.06064	3.0
119.08580	24.1
120.09390	6.6
130.22636	0.9
133.10139	2.2
135.04405	8.0
135.05437	2.1
135.06554	1.3
135.08086	6.6
135.11694	33.9
136.01115	1.5
136.02171	32.9
136.03911	2.2
136.06186	51.4
136.07533	3.5
136.08714	2.9
136.12086	1.2
137.04579	8.4
137.09595	1.0
140.41980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02381	0.8
53.03942	6.9
55.01872	1.1
55.05509	13.6
57.07058	0.8
58.48389	0.4
63.74842	0.4
65.03945	3.1
67.05502	52.1
68.05826	0.8
69.07063	11.2
71.58898	0.5
71.59353	0.6
71.62395	0.4
74.61617	0.5
77.03932	1.2
79.05489	73.3
80.05803	2.5
81.07051	40.1
82.07416	0.7
91.04894	1.0
91.05476	29.1
93.07037	100.0
94.07338	3.8
94.07892	0.9
95.04964	15.3
100.77400	0.5
105.04523	2.7
105.07021	6.6
107.04958	3.0
107.08586	49.9
108.08930	1.8
109.01090	2.2
109.06515	2.1
112.03996	0.6
115.05426	1.2
117.07018	0.8
119.03530	1.6
119.06071	1.0
119.08595	1.0
133.10121	1.1
135.04422	1.2
135.08063	4.7
135.11682	37.7
136.02148	16.9
136.03816	0.7
136.05148	0.5
136.06166	12.2
136.07533	1.0
136.12032	1.5
137.04579	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02378	1.4
53.03946	6.8
55.01861	3.2
55.05510	14.5
61.98372	1.0
65.03933	3.7
67.05505	25.8
69.07070	8.9
69.42022	2.0
69.42432	8.1
79.05491	90.3
80.05016	1.5
80.05819	3.1
81.07058	30.7
81.49391	1.0
91.05480	41.3
92.05788	1.5
93.07041	100.0
94.07318	2.4
94.07870	1.6
95.04968	19.0
98.28461	0.9
104.11333	1.1
105.04518	3.2
105.07031	8.6
107.04957	4.5
107.08592	53.3
108.08100	1.2
108.08922	1.4
109.01107	7.0
109.06522	2.8
111.48439	1.1
112.03977	1.8
115.05426	1.9
117.07018	2.0
119.03532	5.6
119.08535	2.4
120.09316	1.1
133.10112	1.5
135.04420	4.3
135.05499	2.4
135.06519	1.6
135.08102	6.1
135.11688	37.6
136.02164	49.7
136.03911	3.7
136.06177	47.2
136.07562	4.3
136.12021	2.2
137.04573	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02377	1.3
53.03946	8.5
53.75553	0.7
55.01872	4.1
55.05511	12.4
61.74735	0.8
65.03947	4.6
67.05505	47.8
68.05836	0.9
68.17233	0.7
69.03435	1.5
69.07066	8.9
77.03940	0.8
79.05493	86.4
80.05035	1.9
80.05814	2.2
81.03425	1.7
81.07056	38.7
89.03929	0.9
91.05480	45.9
92.05786	1.5
93.07043	100.0
94.04060	2.3
94.06586	0.9
94.07346	2.3
94.07838	1.8
95.04971	19.0
96.05317	0.8
97.68709	0.8
98.20775	1.2
103.05503	0.9
105.04542	3.0
105.07030	11.9
107.04961	6.3
107.08591	58.2
108.04475	1.5
108.08194	0.9
108.08891	1.8
109.01101	7.5
109.05129	1.0
109.05875	0.9
109.06488	3.8
115.05441	4.9
117.07001	3.5
119.03543	7.9
119.06065	1.3
119.08590	2.8
133.10147	1.3
135.04410	5.1
135.05519	2.0
135.06506	1.6
135.08072	10.5
135.11690	40.2
136.02164	56.5
136.03938	2.7
136.06184	57.3
136.07510	4.2
136.12067	2.0
137.04565	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	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.7
55.01858	2.0
55.05265	1.1
55.05511	13.4
65.03941	2.3
67.05505	48.3
68.05808	1.1
69.07063	9.5
71.59112	1.1
77.03902	1.7
79.05492	78.8
80.05823	1.5
81.03405	1.1
81.07053	38.0
82.07384	1.0
91.04903	1.3
91.05479	32.9
93.07041	100.0
94.07372	2.1
94.07860	1.2
95.04966	14.9
105.04527	2.7
105.07023	8.8
105.94665	0.7
107.04959	3.8
107.08590	49.5
108.08923	1.6
109.01081	3.5
109.06509	3.2
115.05396	0.8
119.03541	2.1
119.06057	1.4
119.08598	1.2
120.09380	0.9
126.50003	0.7
133.10155	1.4
135.04401	2.0
135.08076	5.4
135.11687	38.4
136.02159	24.5
136.03876	1.6
136.06183	18.9
136.07420	1.2
136.12003	1.6
137.04575	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02374	1.0
53.03952	5.2
55.01875	13.9
55.05500	3.7
57.03437	2.8
60.62117	0.7
65.03931	5.7
67.05504	18.7
68.05841	0.7
68.85490	0.7
69.03433	1.6
69.07066	1.4
71.58896	0.9
77.03936	1.1
78.04726	0.7
79.05493	100.0
80.05044	1.5
80.05825	3.1
81.03414	3.9
81.07060	6.0
89.03900	0.8
91.05479	59.8
92.05797	2.2
92.06310	1.3
93.07041	36.7
94.04076	1.1
94.07360	1.3
95.04967	13.3
103.05472	2.1
105.04513	3.6
105.07033	30.5
106.07349	0.8
107.04954	12.0
107.08589	38.8
108.04514	0.8
108.08926	1.8
109.01084	4.7
109.06504	5.6
112.03931	0.8
115.05454	12.9
117.07021	14.6
117.85883	0.7
118.06516	0.8
118.07360	0.8
119.03555	4.3
119.06074	1.3
119.08589	4.8
120.09331	0.9
130.96509	0.9
133.06487	0.7
135.04495	3.7
135.05479	1.6
135.08052	40.5
135.10818	1.1
135.11681	9.8
136.02161	42.4
136.03885	1.8
136.06181	31.2
136.07471	1.7
136.08405	2.3
136.11172	1.5
137.04579	3.0
141.84532	0.8
151.69435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02374	0.9
53.03949	3.9
53.07704	0.3
55.01876	2.8
55.05513	2.5
55.45091	0.4
57.03434	1.2
62.87851	0.4
64.26319	0.4
65.03944	4.0
67.05507	8.2
69.03438	0.8
69.07051	1.8
69.91907	0.3
71.57889	0.4
71.58308	0.4
72.44370	0.3
77.03941	0.8
79.05493	100.0
80.05021	0.7
80.05827	2.9
81.03430	1.7
81.07056	3.8
91.05482	36.0
92.05783	0.7
92.06301	0.9
93.05795	0.9
93.07045	17.9
94.04091	1.1
94.07392	0.6
95.04965	10.7
103.05484	2.3
103.07059	0.3
105.04523	1.7
105.07032	30.8
106.07376	1.4
107.04966	4.0
107.08595	17.5
108.04461	0.4
108.08203	0.5
108.08923	1.0
109.01100	3.3
109.06516	3.7
115.05460	7.1
117.07018	6.2
118.07303	0.7
119.03551	3.1
119.06065	1.2
119.08551	1.1
119.93737	0.4
135.04425	2.1
135.05530	0.9
135.08054	22.4
135.11687	4.9
136.02168	25.1
136.03899	1.2
136.06184	19.0
136.07500	1.2
136.08412	1.0
136.11209	0.5
137.04599	2.3
154.05016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03946	7.7
55.01872	21.1
55.05505	4.9
57.03218	0.7
57.03439	7.1
63.99824	0.7
65.03941	6.6
67.05505	32.3
67.05872	1.8
69.03431	2.4
69.07067	1.3
71.22101	1.8
71.22453	0.9
73.15525	0.7
79.05493	100.0
80.05000	1.9
80.05817	3.0
81.03419	14.8
81.07052	4.4
81.28443	0.8
91.05480	88.4
92.05796	2.4
92.06301	1.5
93.05801	1.6
93.07044	48.6
94.04092	2.0
94.06597	0.9
94.07345	1.4
95.04967	16.9
103.01376	0.9
103.05506	1.4
105.04520	2.7
105.07033	33.7
107.04958	22.5
107.05554	0.6
107.08596	52.2
108.04552	0.9
108.08197	1.1
108.08910	2.1
109.01104	5.2
109.05255	0.8
109.06515	9.9
115.05450	27.3
117.07016	38.3
118.06549	0.9
118.07355	1.3
119.03543	5.3
119.06064	3.3
119.08562	7.8
120.09373	2.0
120.87110	0.8
121.08877	1.2
133.06479	1.3
135.04428	3.2
135.05458	1.8
135.08055	46.8
135.11688	9.1
136.02164	45.7
136.03938	2.5
136.06181	40.6
136.07503	2.7
136.08353	1.5
137.04610	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02384	0.7
53.03939	3.9
55.01870	13.2
55.05511	1.2
65.03938	9.7
67.05496	5.5
69.03425	12.6
70.27586	3.6
71.81931	0.7
76.76271	0.7
77.79591	0.6
79.05494	50.0
80.05828	1.8
81.03411	1.2
81.07051	1.3
87.34715	0.6
91.05479	100.0
92.05788	2.6
92.06289	2.7
93.05790	0.8
93.07039	11.8
95.04974	11.0
103.05453	1.2
104.63146	0.7
105.04497	0.8
105.07027	26.8
106.07350	1.8
107.04946	6.0
107.08595	41.8
108.08890	2.1
109.01113	2.6
109.06516	15.7
115.05455	27.6
116.06312	0.7
117.07023	18.5
118.06564	0.9
118.07316	1.2
119.03545	2.5
119.06065	4.5
119.08597	1.9
120.05736	2.3
120.09372	1.1
124.05183	1.1
133.06535	0.8
135.04414	1.8
135.08052	27.1
135.11681	2.8
136.02162	26.1
136.03912	1.3
136.05136	1.5
136.06186	19.3
136.07420	1.2
136.08408	1.9
137.04590	2.1
137.13669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03936	2.3
55.05513	6.0
62.33048	0.6
65.03933	1.0
67.05503	2.6
69.77619	2.9
69.78024	1.0
77.03908	0.6
79.05494	10.5
91.05481	52.2
92.05808	2.1
93.07062	3.8
95.04965	2.4
98.20795	0.7
103.05472	4.0
105.07028	100.0
106.06711	0.8
106.07352	4.5
107.08569	0.9
113.02995	0.6
115.05439	4.9
116.06204	0.7
117.07011	4.7
118.07829	4.4
129.06941	0.7
131.08562	8.2
133.06490	3.6
133.10132	46.0
134.10454	2.9
145.43233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02372	0.6
53.03953	2.7
53.04189	0.5
55.01852	0.4
55.05515	4.7
57.23491	0.4
65.03937	1.3
65.13441	0.3
67.05495	1.2
68.90834	0.3
70.47323	1.0
70.47746	0.6
72.02509	0.3
77.03925	0.8
79.05492	14.3
79.23853	0.3
80.05816	0.4
91.05479	36.8
92.05795	1.5
92.06309	0.8
93.07040	9.4
95.04970	5.0
98.70152	0.4
103.05473	8.1
105.07028	100.0
106.07358	3.5
107.08597	2.3
115.05451	12.4
115.06275	0.6
116.06336	2.0
117.07017	14.2
118.04143	0.8
118.07805	13.5
119.08169	0.7
121.07416	0.3
123.08007	0.5
129.07008	1.3
131.08563	11.7
132.08868	0.5
133.02914	0.4
133.06535	4.5
133.10126	93.7
134.10460	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.7
53.03937	3.0
55.01875	1.3
55.05513	2.8
65.03937	1.0
67.05490	1.3
67.28799	0.5
71.58354	0.9
77.03913	2.0
79.05492	15.5
81.04559	0.5
91.05479	34.8
92.05785	1.0
93.07047	6.4
95.04957	5.8
103.05467	8.4
103.12227	0.5
104.05780	0.6
105.03386	1.6
105.07025	100.0
106.07339	4.3
107.06091	0.7
107.08588	1.4
112.02167	1.0
115.05459	12.0
116.06317	2.4
117.07022	12.7
118.04131	1.0
118.07819	9.7
123.07944	1.1
129.06963	0.9
131.08562	12.9
133.02835	1.9
133.06512	11.7
133.10123	76.0
134.05974	1.1
134.06981	1.1
134.10512	3.0
148.27393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02367	1.1
53.03943	3.7
55.01870	2.7
55.05503	1.3
58.05334	1.0
65.03924	1.0
66.04713	0.5
66.28416	0.4
67.05489	0.5
70.30260	1.9
74.02409	0.5
75.05590	0.6
77.03928	2.0
78.04724	0.6
79.05489	19.9
79.96460	0.4
81.03423	0.7
89.03903	0.6
89.36865	0.4
90.04706	1.1
91.05484	15.9
92.05801	0.4
93.07059	2.3
95.04967	7.1
100.59480	0.4
103.05467	13.5
105.03396	1.3
105.04513	1.3
105.07026	100.0
106.07366	2.8
107.04945	1.2
107.08582	0.7
112.02171	0.6
115.05459	6.8
116.06237	0.7
117.07027	4.4
118.04138	4.4
118.07800	3.3
121.82742	0.5
123.07961	1.0
131.04897	1.3
131.08545	3.7
132.05759	0.5
133.02873	2.2
133.06491	45.2
133.10126	26.8
134.05971	0.5
134.06906	1.7
134.10512	0.9
134.59900	0.5
143.06122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02376	0.8
53.03939	2.4
55.01861	1.4
55.05510	3.7
58.05333	1.1
65.03940	1.3
67.05503	1.5
69.95463	1.9
74.02451	1.4
75.05570	0.5
77.03921	2.2
79.05494	16.5
80.05813	0.5
81.04556	0.5
86.07259	0.4
87.05600	0.9
90.04686	0.5
90.63113	0.4
91.05482	32.7
92.05817	1.1
93.07040	6.0
95.04976	5.7
95.25755	0.4
103.05468	9.3
105.03434	1.9
105.04531	1.5
105.07030	100.0
106.06619	0.6
106.07362	3.8
107.08591	1.4
112.02213	0.6
113.02998	0.6
115.05457	10.3
116.06243	1.8
117.06222	0.8
117.07014	10.7
118.04174	1.0
118.07814	8.3
123.07957	0.8
129.07008	0.6
131.08566	10.6
132.08878	0.4
133.02867	1.9
133.06511	14.9
133.07562	1.2
133.10127	64.6
134.03630	0.7
134.06018	1.1
134.07054	0.8
134.09612	0.7
134.10457	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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02372	1.0
52.24247	0.5
53.03930	2.9
53.04152	0.6
55.01879	3.3
55.02130	0.7
55.05502	1.8
58.05329	1.4
65.03932	1.3
69.87634	3.6
69.91535	0.6
73.34432	0.6
74.02446	0.9
75.05592	1.8
77.03922	2.3
79.05494	19.7
79.23207	0.5
80.05779	0.7
83.99013	0.6
86.62025	0.7
87.05592	0.9
90.04690	2.0
91.05481	18.2
92.06306	0.6
93.07043	3.7
94.04194	0.8
95.04977	4.9
103.05471	12.6
105.03393	2.4
105.07029	100.0
106.06630	0.6
106.07366	2.4
115.05458	7.4
116.06264	0.9
116.15824	0.7
117.06331	0.6
117.06996	3.4
118.04174	6.2
118.07801	2.5
123.07932	1.5
131.04883	0.9
131.08583	4.1
133.02855	1.6
133.06496	37.8
133.07503	1.3
133.10133	18.4
134.05954	1.1
134.06927	1.2
137.26326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26294	0.1
53.55203	0.1
55.05507	0.4
56.05033	4.2
57.72837	0.1
67.05511	0.4
70.27385	0.2
70.27803	0.4
72.68112	0.1
74.32860	0.1
74.99789	0.1
81.45419	0.1
82.06573	0.2
84.08144	100.0
85.08475	1.9
130.08640	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	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37977	0.1
55.05507	0.5
56.05034	4.5
67.05504	0.3
69.05830	0.1
69.59325	0.3
69.59724	0.4
82.06570	0.1
84.08141	100.0
85.08470	2.0
98.21500	0.2
112.07582	0.1
130.08633	7.7
131.08997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
62.31723	0.8
69.07070	1.4
70.70512	1.5
70.70916	1.5
82.88858	0.9
84.08134	0.9
86.09702	100.0
87.10049	3.6
102.39526	0.8
105.07108	0.7
105.32777	0.7
105.37997	0.7
108.16351	0.9
110.77789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01579	0.5
51.02368	1.0
53.03943	2.6
55.01867	3.1
55.05489	1.3
56.05026	0.6
56.96550	0.4
57.04544	0.8
58.02957	0.6
58.05326	1.5
58.06593	0.6
59.06086	0.3
65.03924	0.8
67.05493	0.4
70.06599	0.4
71.57280	0.5
72.04496	0.5
72.08163	0.6
72.93780	0.5
73.02877	0.3
74.02457	1.9
74.06057	0.8
75.05594	4.0
76.04008	0.5
77.03928	1.4
78.04708	0.5
79.05491	17.2
80.05013	0.6
80.05829	0.3
81.03410	0.4
81.04517	0.5
82.05341	0.3
85.03987	0.8
87.04438	0.3
87.05591	1.3
88.04037	0.4
89.67569	0.3
91.05476	10.8
93.07030	2.5
95.04968	5.2
103.05460	10.8
105.03406	3.5
105.07024	100.0
106.06559	1.1
106.07367	2.6
107.04956	1.1
112.02190	1.1
113.02982	0.7
115.05447	6.2
116.06239	0.5
116.07044	0.4
117.06995	2.4
118.04131	0.5
118.07803	2.1
118.25383	0.4
120.11108	0.3
123.07940	1.8
128.13089	0.3
131.04927	1.5
131.08557	2.7
132.05685	0.6
133.02863	2.0
133.06490	40.7
133.07529	1.5
133.10123	11.1
134.03630	0.6
134.05986	1.6
134.06895	1.9
134.10504	0.4
144.04839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01863	1.2
55.05504	1.5
56.05033	5.3
57.03436	13.0
58.03772	0.4
64.85297	0.4
67.05506	0.6
67.89632	0.4
69.03426	3.0
69.07056	0.7
69.45679	3.2
70.06586	0.5
71.04993	32.3
72.05307	0.7
83.04984	1.7
83.06094	0.6
83.06868	0.5
84.04501	4.7
84.08141	100.0
85.02901	15.2
86.03240	0.4
99.04397	0.4
104.16409	0.4
111.00764	0.5
111.04446	1.5
112.07607	5.2
114.22142	0.3
128.06238	1.4
129.01843	4.0
129.05525	1.0
130.05006	0.6
130.06549	3.6
130.08638	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	130.0864
Annotation	D-Pipecolic acid
Peak:m/z	Relative Intensity
55.05506	0.4
56.05033	4.8
61.44851	0.2
67.05518	0.4
69.61291	1.1
69.61694	0.3
84.04503	0.7
84.08140	100.0
85.07925	0.2
85.08467	2.5
98.20775	0.3
106.41043	0.2
130.08635	7.4
131.09001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.02361	1.2
52.92336	0.8
53.00294	1.3
53.03946	29.1
54.03461	1.9
54.04275	1.5
55.01674	0.8
55.01876	10.1
55.05511	12.8
56.05038	6.5
56.96565	4.0
57.03429	6.4
58.02965	0.9
58.06601	6.2
59.04970	1.1
59.06116	2.2
60.53715	0.7
65.03939	1.6
67.01858	3.0
67.04240	1.7
67.05498	2.0
68.02651	1.5
68.05024	7.3
68.99795	1.0
69.03426	23.0
69.05353	1.9
69.87238	3.8
70.06593	8.9
71.01353	12.1
71.04988	14.6
71.07368	1.6
72.04495	2.2
72.08137	2.4
74.02444	0.9
75.46198	0.8
77.76601	0.7
79.05495	1.9
80.05009	2.1
81.03416	79.3
81.07056	3.9
82.02982	1.6
82.03748	2.2
82.06579	43.7
83.01336	2.0
83.04969	1.9
83.06107	3.0
83.08628	1.0
84.02119	2.8
84.04494	9.3
84.08146	3.7
85.02885	3.0
85.05176	1.1
85.06544	1.3
85.07675	1.2
86.06065	4.2
86.06487	0.7
86.08041	0.8
87.06851	5.2
92.05012	1.4
92.85442	0.7
95.01345	4.5
95.17825	0.9
95.20811	0.7
96.06873	1.0
97.02892	3.3
97.07653	3.2
98.03683	1.0
98.21484	1.4
99.04456	8.1
100.07617	9.5
104.56008	1.3
109.02879	73.8
109.06545	0.8
109.07635	9.9
110.02440	2.0
110.03218	3.6
110.06060	9.4
110.08466	1.1
111.09187	5.9
112.01566	2.2
118.06558	1.1
121.60134	0.8
123.07935	3.1
124.54782	0.8
127.03917	100.0
127.08678	6.0
128.03419	1.9
128.04286	3.0
128.07079	22.3
128.10753	0.8
135.66019	0.8
140.21632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0395
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
50.30664	0.2
53.03947	0.7
54.03482	0.3
54.04299	0.2
55.01868	0.3
55.05502	0.4
56.05031	0.6
56.96565	4.2
57.03436	0.5
58.06586	0.8
58.99863	1.3
59.07375	0.5
60.00626	0.3
66.18240	0.2
67.05492	0.7
67.44645	0.2
68.05020	1.7
69.03415	0.6
70.06576	0.3
70.90321	0.4
70.90653	0.4
70.99870	0.4
71.01340	0.2
71.04993	0.2
71.95264	0.4
77.00903	2.8
78.00986	0.2
78.03451	1.9
78.06349	0.2
79.03770	0.2
79.04194	0.2
79.05482	0.7
80.05013	22.8
81.03439	0.3
81.04537	1.5
81.05346	1.9
81.05786	0.4
81.07041	0.3
82.06580	1.1
82.92882	0.7
82.99860	0.6
83.00772	0.6
83.06104	0.7
84.08134	0.4
89.00894	0.6
90.01546	0.3
91.00524	0.3
92.01295	0.7
94.02921	0.3
94.06578	0.4
95.01927	2.0
95.04980	0.5
95.06081	0.2
96.04488	38.0
96.08120	0.8
97.02885	1.8
97.04153	0.4
97.04832	1.3
97.05356	0.2
97.07647	0.4
98.97576	0.5
99.02062	0.3
100.02457	1.3
100.93906	0.2
101.00220	0.3
101.00862	7.1
101.02559	2.4
102.00929	0.4
102.02241	1.3
106.06510	0.3
107.03248	0.4
107.06081	0.7
107.07342	0.3
109.05246	0.3
112.02831	0.3
112.03973	2.6
116.98614	0.6
117.10245	0.7
118.03534	1.6
119.01918	100.0
119.03652	3.5
120.00957	0.4
120.02023	5.5
120.03207	1.5
121.02373	0.4
121.03402	0.3
121.04366	0.2
124.03949	81.3
124.07581	3.0
124.08695	2.3
124.11217	0.3
125.02372	0.7
125.04311	2.4
125.06031	0.3
125.07124	1.0
125.07926	0.2
125.10815	0.3
133.01775	0.2
133.03467	0.6
134.99675	0.6
137.02951	73.5
138.01971	0.4
138.03036	4.2
139.03360	0.3
140.03426	1.9
142.03496	7.8
143.03645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03483	0.2
56.05029	0.4
56.96564	2.4
58.06603	0.2
58.99870	0.5
60.00620	0.2
61.02932	0.1
68.05011	0.4
69.04523	0.1
69.55655	1.0
70.99844	0.2
71.95261	0.1
77.00887	0.7
78.03450	0.4
79.05495	0.2
80.05013	2.2
81.04537	0.6
81.05344	0.2
81.05783	0.2
82.92889	1.1
82.94830	0.2
82.99799	0.6
83.06107	0.9
86.01310	0.2
89.00893	0.3
95.01364	0.2
95.01951	0.3
96.04487	4.2
96.05237	0.3
96.08133	0.2
97.02879	0.5
97.07638	0.4
98.03513	0.2
98.97598	0.4
100.02483	1.0
100.93891	0.2
101.00871	9.3
101.02554	0.6
102.00972	0.5
102.02218	0.2
107.06106	0.7
108.04346	0.4
112.03967	0.4
116.98604	0.2
118.03501	0.8
119.01915	100.0
120.01993	6.2
120.03342	0.2
121.02334	0.5
123.95431	0.2
124.02490	0.3
124.03948	7.6
124.05826	0.6
124.07581	0.8
124.08684	1.3
125.04278	0.2
125.07053	0.5
133.03471	0.3
134.99634	0.2
137.02948	60.2
138.03036	3.8
138.71672	0.1
139.03339	0.5
142.03490	5.3
143.03644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0395
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
51.08929	0.2
53.03947	0.8
53.85963	0.2
56.05029	0.7
56.96561	0.9
58.99870	0.7
62.81668	0.2
68.05024	1.4
68.69144	0.2
69.03437	0.3
69.59764	1.7
70.99849	0.3
77.00914	1.2
78.03454	1.6
79.05482	0.3
80.05016	28.4
81.04545	1.1
81.05347	1.2
81.05782	0.4
81.07044	0.3
82.06572	0.4
82.99828	0.3
83.06095	1.4
89.00881	0.2
95.01958	0.7
96.04490	29.3
96.08138	0.3
97.02885	0.8
97.04826	0.8
97.07645	0.4
98.97574	0.3
100.02477	0.8
101.00875	4.5
101.02574	1.2
102.02240	0.6
107.03247	0.4
107.06063	0.5
107.07279	0.3
110.04768	0.4
112.03944	1.1
117.10268	0.2
118.03522	0.9
119.01919	52.3
119.03614	1.3
120.01983	2.8
120.03310	0.5
124.03951	100.0
124.07514	1.5
124.08605	1.7
125.03571	0.3
125.04305	2.7
125.07124	0.8
137.02954	35.1
138.03055	2.1
140.03409	1.8
142.03502	3.3
143.03606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
54.03495	0.2
55.17065	0.1
56.05028	0.4
56.96568	1.2
58.99863	0.9
59.56963	0.1
60.00649	0.2
64.05014	0.1
66.77665	0.1
68.05028	0.5
69.03399	0.1
69.25402	0.3
69.25812	1.3
70.99853	0.4
77.00901	1.7
78.03465	0.7
78.06333	0.3
79.62924	0.1
80.05013	9.8
80.55816	0.2
81.04549	0.6
81.05351	0.6
82.05318	0.2
82.06574	0.2
82.92887	0.3
82.99862	0.5
83.00752	0.2
83.06111	0.5
89.00907	0.4
92.01290	0.2
94.06583	0.3
95.01940	0.9
96.04488	9.7
96.08121	0.2
97.02877	0.4
97.04816	0.4
97.07635	0.2
98.97526	0.2
100.02483	0.8
101.00868	8.9
101.02560	1.2
102.00995	0.4
102.02227	0.5
107.06097	0.2
110.04796	0.2
112.03956	0.2
116.98618	0.1
117.10240	0.2
118.03532	1.2
119.01918	100.0
120.01987	6.1
120.03299	0.5
121.02366	0.5
124.03950	32.8
124.07586	1.6
124.08681	0.5
125.04306	0.7
125.07140	0.3
133.03462	0.5
137.02951	67.0
138.03030	4.3
139.03381	0.4
140.03403	0.4
142.03494	7.0
143.03709	0.4
144.05069	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45292	0.1
56.55820	0.1
58.99851	0.2
60.00660	0.3
70.79324	0.4
80.53410	0.1
82.01385	0.1
82.99413	0.1
82.99809	0.7
83.01516	0.2
92.49287	0.1
100.02499	0.6
101.00877	11.7
101.02544	0.6
102.00948	0.6
102.02245	0.3
102.36614	0.1
108.56997	0.1
118.03516	0.6
119.01920	100.0
120.01998	4.1
120.03315	0.2
121.02352	0.4
124.02453	0.3
124.08675	0.1
133.03493	0.1
137.02956	52.4
138.03047	2.3
139.03354	0.4
142.03496	5.1
143.03697	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
53.00303	0.9
53.03946	6.8
54.03467	2.2
55.01872	0.9
55.05501	6.0
56.05035	3.2
57.07069	5.5
58.06590	0.6
65.03937	2.4
67.02988	0.6
67.05502	20.7
68.05016	3.2
69.04556	0.8
69.07062	3.0
70.06565	1.2
71.57529	0.7
77.03921	2.5
78.03442	1.2
79.05491	20.8
80.05013	16.6
80.05802	1.7
80.06273	0.8
81.04549	4.4
81.07051	100.0
82.04878	0.7
82.05344	1.2
82.06557	0.8
82.07379	2.1
83.05658	0.8
83.06097	4.6
91.05437	0.7
93.07028	3.5
94.07801	1.4
95.04963	32.7
95.06061	1.9
95.08604	17.2
95.09235	0.7
96.04490	17.6
96.05280	1.5
97.07652	3.9
100.02469	3.9
102.78323	0.6
105.03368	2.8
105.04517	1.6
105.07014	1.6
107.06070	4.8
108.05687	1.3
108.07648	2.3
108.09351	1.3
112.03947	2.8
115.48541	0.6
118.03523	4.0
119.01918	6.6
121.10101	1.2
123.04417	19.2
123.05533	17.8
123.06528	1.0
123.08165	5.1
123.09174	1.9
123.09991	2.5
123.11695	19.3
124.03958	18.3
124.04810	1.0
124.08721	9.0
124.12029	0.7
137.02963	4.4
140.03455	1.3
142.03531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.9
51.02383	3.0
52.05168	0.7
53.00304	0.8
53.03946	10.1
54.03473	3.4
54.04283	0.6
55.01865	2.2
55.05268	0.7
55.05511	7.2
56.05025	4.3
57.07074	3.7
57.09061	0.6
65.03929	2.1
66.03455	0.7
67.05502	21.9
68.05030	3.5
69.04540	1.4
69.07069	3.5
69.81614	3.2
70.06583	1.4
77.03924	6.4
78.03452	2.1
78.04720	1.0
79.05492	25.2
80.05014	22.8
80.05775	1.2
81.03421	1.4
81.04546	5.4
81.07053	100.0
82.01428	0.7
82.05314	0.8
82.06591	1.5
82.07383	2.1
83.05631	1.0
83.06100	5.4
91.05476	1.5
93.07033	4.4
93.44045	0.6
94.07826	1.3
95.01357	0.8
95.04966	49.5
95.06029	1.5
95.08603	17.8
96.04487	20.5
96.05305	1.2
97.07668	4.2
100.02493	6.2
101.02583	1.0
105.03395	7.4
105.04467	4.2
105.07056	1.9
106.02924	0.9
106.07389	2.4
107.06078	5.3
108.05734	2.4
108.07684	3.1
108.09391	1.0
112.03972	3.5
118.03514	5.1
119.01918	8.1
121.10159	1.4
123.04437	43.8
123.05547	24.9
123.07327	1.2
123.08170	8.2
123.09178	2.2
123.09933	3.6
123.11696	18.0
124.03956	19.6
124.04897	1.9
124.05889	1.1
124.07691	1.2
124.08708	9.8
137.02957	6.1
140.03366	0.8
142.03482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01587	0.7
50.54101	0.6
51.02380	1.3
53.03944	8.6
53.89783	0.6
54.03467	2.2
55.01877	2.6
55.05510	26.6
56.05043	3.4
56.05858	0.8
56.96565	2.3
57.07073	2.3
65.03943	6.1
67.05504	100.0
68.05025	3.7
68.05837	2.6
69.03435	2.5
69.04534	0.8
69.07066	2.4
69.64326	3.8
70.06574	0.9
77.03932	1.6
78.03463	1.5
79.05495	27.0
80.05020	16.7
80.05820	1.4
80.06284	2.8
81.03429	2.2
81.04546	3.3
81.05788	1.4
81.07056	44.0
82.05354	1.3
82.06586	1.4
82.07392	0.8
83.06094	3.9
87.38824	0.7
91.05485	7.4
93.07043	20.2
95.04967	32.1
95.06039	1.3
95.08606	83.9
95.34529	0.7
96.04494	15.9
96.05152	1.2
96.05287	0.8
96.08141	1.1
96.08955	2.8
97.07673	3.6
99.85072	0.6
100.02496	3.9
103.05476	2.0
105.03410	2.4
105.04542	2.9
105.07029	10.4
105.07685	1.0
106.07384	2.1
107.04975	5.8
107.06059	3.6
108.05737	27.6
108.07671	4.0
109.06033	1.1
112.03968	2.5
118.03510	4.4
119.01914	4.8
121.06512	4.7
123.04472	5.9
123.05575	18.8
123.08083	50.5
123.09915	3.3
123.11691	8.8
124.03953	13.6
124.07636	1.7
124.08699	7.1
124.12067	0.7
137.02945	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	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
51.02364	0.3
53.03952	1.8
54.03465	0.7
55.01882	0.2
55.05521	0.3
56.05026	0.6
56.96565	1.5
58.06598	0.3
58.99869	0.2
60.03543	0.2
65.03953	0.3
67.05518	1.4
68.05028	1.5
69.85362	1.2
77.00871	0.3
77.03945	0.3
78.03447	2.2
79.04251	0.3
79.05492	0.8
80.05018	62.5
81.04544	0.5
81.05376	1.1
81.07050	1.1
82.01450	0.6
82.05331	0.3
82.06578	0.4
82.92902	0.5
83.00773	0.3
83.06104	0.8
92.01267	0.2
95.04971	6.1
95.06058	1.4
95.08589	0.4
96.04493	24.4
96.08071	0.2
97.04829	0.3
97.07641	0.5
98.97603	0.5
100.02489	4.3
101.00873	2.2
105.04520	0.8
106.02918	3.3
107.06086	0.8
107.56039	0.2
108.05763	0.2
112.03945	0.3
116.98615	0.2
118.01163	0.4
118.03519	4.3
119.01923	24.3
121.02303	0.2
123.05553	100.0
124.03960	6.0
124.05917	2.0
124.07684	0.3
124.08710	1.1
134.99667	0.3
136.04558	0.5
137.02957	16.5
140.03471	0.3
141.96404	0.2
142.03506	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
53.91397	0.9
55.93524	1.5
56.96568	5.2
58.49882	1.0
58.99849	2.0
67.05493	4.3
68.05028	1.0
71.03159	1.2
71.03476	2.3
72.93793	6.4
77.00876	1.3
79.05489	3.3
80.05017	15.1
80.06281	1.1
81.04557	1.7
81.07065	8.5
82.01440	9.9
82.92886	1.0
90.94847	1.4
93.07041	1.5
95.04972	19.8
95.06052	1.2
95.08613	1.8
96.04492	13.2
100.02486	98.2
101.00875	4.0
101.02544	4.9
105.04516	1.7
107.06094	1.6
112.03954	2.7
113.96387	1.8
114.95940	1.9
118.03525	100.0
119.01919	55.7
119.03600	6.0
123.04044	6.5
123.05538	20.1
123.06497	2.1
123.08068	4.3
123.09106	1.3
124.03967	13.6
124.08702	3.0
136.04494	1.4
137.02956	43.4
140.03418	2.1
141.05106	7.7
142.03516	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01590	1.6
51.02374	7.4
53.03948	14.5
53.89699	0.7
54.03463	3.9
54.30948	0.7
54.67385	0.7
55.01861	2.3
55.05516	6.1
56.05029	4.2
57.07058	3.4
65.03939	4.9
67.04247	1.3
67.05505	30.1
68.05019	6.0
69.04555	0.9
69.07047	3.3
70.06570	1.6
70.14763	3.5
77.03522	1.5
77.03928	15.5
78.03446	1.2
78.04701	3.1
79.05063	1.3
79.05492	18.0
80.05019	29.8
80.05753	1.5
81.03407	1.8
81.04539	6.5
81.05315	0.8
81.07054	53.6
82.01453	0.8
82.04868	1.7
82.05308	1.9
82.06564	1.8
83.05667	1.3
83.06098	5.2
91.05477	1.1
93.07037	3.4
94.06624	0.8
95.01313	1.0
95.04969	90.4
95.06021	2.6
95.08608	13.1
96.04493	27.8
96.05244	1.3
96.06421	1.2
96.08114	1.3
97.07625	3.8
100.02483	10.7
101.00900	0.8
105.03397	16.5
105.04503	6.9
105.07042	1.7
106.02892	1.6
106.04900	0.7
106.07354	3.3
107.04966	1.4
107.06083	8.3
107.07346	1.1
108.05730	4.0
108.07674	6.5
112.03950	4.8
118.03526	10.5
119.01912	11.4
121.06544	0.8
123.04420	100.0
123.05529	41.1
123.07412	2.5
123.08192	12.4
123.09161	3.9
123.09910	5.7
123.11700	7.8
124.03960	22.5
124.04794	2.6
124.07620	1.7
124.08695	11.4
137.02922	6.7
140.03377	1.3
141.05023	0.8
141.06619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01594	0.6
51.02378	1.7
52.19549	0.5
53.03947	11.3
54.03470	3.1
54.04263	0.5
55.01871	1.1
55.05509	5.7
65.03944	10.3
67.05508	1.9
68.05022	0.6
69.44496	3.4
69.44907	1.1
70.06590	1.0
77.03931	2.4
78.04719	1.0
79.05492	57.1
80.05011	0.9
80.05833	1.1
80.06275	0.7
81.03412	1.7
81.04536	5.4
81.07055	2.7
82.05325	5.2
91.05479	38.1
92.05811	1.6
93.03419	1.5
93.07042	55.3
94.04194	1.0
94.06567	1.0
94.07375	1.9
95.04967	27.5
95.06008	3.2
96.05305	0.9
103.05468	25.7
104.05774	1.7
105.04523	5.6
105.07028	100.0
106.06621	1.0
106.07203	0.5
106.07874	8.0
107.07336	11.9
109.11713	0.4
111.04428	1.7
119.08588	13.7
120.05703	0.7
120.08896	0.8
121.02859	5.1
121.03965	2.1
121.06513	5.8
121.10139	37.1
122.06100	1.3
122.07149	20.2
122.08859	0.9
122.09665	10.8
122.10466	1.6
123.07195	0.9
123.08066	12.3
133.07607	4.6
134.03308	0.5
138.06747	0.5
138.22714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01579	0.8
51.02387	1.7
53.03945	9.8
55.01856	1.0
55.05513	4.1
65.03936	4.2
67.02772	0.6
67.05493	2.2
70.30788	2.2
77.03925	1.7
79.05490	50.1
80.04987	0.9
80.05848	1.6
80.06282	1.1
81.03454	1.1
81.04557	0.7
81.07050	1.3
87.40130	0.7
91.05475	20.4
92.05822	0.8
93.07035	24.9
94.06539	1.1
95.04368	1.1
95.04970	18.8
98.96789	0.7
103.05461	22.9
104.05733	1.2
105.04560	4.6
105.07024	100.0
106.06609	1.3
106.07881	7.0
107.07332	10.6
119.08585	11.6
120.15868	0.7
121.02876	1.3
121.04001	1.2
121.06497	4.5
121.10136	34.6
122.06030	1.8
122.07150	1.8
122.09678	10.3
122.10481	1.1
123.08065	10.4
133.07596	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	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.6
50.80512	0.5
51.02388	1.9
53.03944	11.8
53.93726	0.6
54.03479	1.5
55.01869	0.7
55.05502	4.7
65.03938	7.4
66.37629	0.5
67.05515	1.7
68.05016	0.6
70.06581	0.8
70.44296	2.0
77.03928	1.8
78.04688	0.6
79.05489	56.6
80.05824	1.3
81.03431	1.0
81.04541	4.1
81.07057	2.6
82.05319	3.5
91.05476	35.1
92.05813	1.4
93.07038	44.8
94.06570	0.7
94.07366	1.1
95.04477	0.3
95.04963	23.5
95.06076	1.7
103.05457	24.7
105.04551	4.3
105.07025	100.0
106.06609	1.2
106.07253	1.7
106.07907	5.8
107.07338	11.4
111.04450	1.1
118.29713	0.5
119.08572	13.5
121.02866	3.4
121.04016	1.1
121.06532	3.9
121.07327	0.9
121.10133	34.8
122.07153	12.1
122.09666	10.7
122.10466	1.6
123.08057	11.4
126.55542	0.6
126.64439	0.6
133.07596	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01602	0.6
50.80512	0.5
51.02388	1.9
53.03944	11.8
53.93726	0.6
54.03479	1.5
55.01869	0.7
55.05502	4.7
65.03938	7.4
66.37629	0.5
67.05515	1.7
68.05016	0.6
70.06581	0.8
70.44296	2.0
77.03928	1.8
78.04688	0.6
79.05489	56.6
80.05824	1.3
81.03431	1.0
81.04541	4.1
81.07057	2.6
82.05319	3.5
91.05476	35.1
92.05813	1.4
93.07038	44.8
94.06570	0.7
94.07366	1.1
95.04477	0.3
95.04963	23.5
95.06076	1.7
103.05457	24.7
105.04551	4.3
105.07025	100.0
106.06609	1.2
106.07253	1.7
106.07907	5.8
107.07338	11.4
111.04450	1.1
118.29713	0.5
119.08572	13.5
121.02866	3.4
121.04016	1.1
121.06532	3.9
121.07327	0.9
121.10133	34.8
122.07153	12.1
122.09666	10.7
122.10466	1.6
123.08057	11.4
126.55542	0.6
126.64439	0.6
133.07596	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01593	0.8
51.02390	1.2
53.03708	0.6
53.03949	9.7
54.03474	3.8
55.01870	1.0
55.05511	4.4
58.02939	0.6
65.03941	4.6
66.04713	0.8
67.02988	0.5
67.05497	1.9
68.05027	0.9
68.76019	0.4
69.26490	0.5
69.42908	4.2
69.43330	0.9
70.06595	1.2
77.03914	2.1
79.05491	55.0
80.05023	0.7
80.05841	2.1
80.06266	0.4
81.03412	1.3
81.04539	6.5
81.07078	2.6
82.05321	5.4
91.05479	34.5
92.05782	1.0
93.07043	47.8
94.04208	1.2
94.06562	1.5
94.07375	2.0
95.04965	24.3
95.06066	2.6
96.05326	0.5
98.20750	0.6
103.05466	25.7
104.05779	1.2
105.04540	5.8
105.07028	100.0
106.06560	1.1
106.07257	2.2
106.07919	6.8
107.04826	0.5
107.07336	14.3
111.04447	0.9
112.03973	0.4
117.06943	0.5
119.08580	14.5
120.05628	0.9
120.08103	0.5
120.08919	0.6
121.02857	2.3
121.03981	0.4
121.06532	4.6
121.07645	1.1
121.10142	37.6
122.07155	23.5
122.09666	14.5
122.10484	1.9
123.08061	12.1
124.08456	0.6
133.07622	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02369	0.8
53.03737	0.5
53.03950	6.2
54.03460	0.6
55.01874	0.9
55.05500	1.4
56.96576	0.6
65.03940	3.2
67.05496	1.8
70.90685	1.3
77.03903	1.2
78.04702	0.4
79.05496	45.2
80.05048	0.5
80.05821	1.1
81.04537	0.9
81.07071	1.1
82.05325	0.7
82.77379	0.5
85.27898	0.4
91.05482	17.4
93.03429	0.6
93.05333	0.5
93.07050	21.0
93.07636	1.1
94.06618	0.5
95.04972	17.4
96.05286	0.7
103.05470	23.1
105.04562	2.9
105.07032	100.0
106.06616	1.1
106.07260	1.6
106.07916	5.8
107.07336	11.1
107.08044	0.9
109.79819	0.5
111.04473	0.8
112.03973	0.9
119.08583	14.4
120.08961	0.7
121.02886	1.8
121.04029	0.5
121.06536	3.4
121.10147	36.2
122.06050	1.5
122.07151	4.2
122.09667	11.1
122.10453	1.2
123.08073	12.5
127.58920	0.4
133.07620	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02367	2.0
51.70603	1.5
53.03945	14.4
55.05275	1.1
55.05516	16.7
65.03944	11.6
67.05180	1.7
67.05508	20.8
71.57981	2.0
77.03905	1.6
79.05492	86.5
80.05006	2.6
80.05819	2.4
81.03458	1.3
81.07041	2.5
91.05480	32.8
92.05767	1.7
93.07040	100.0
94.06575	2.5
94.07362	5.0
95.04968	23.1
103.05461	13.9
105.04505	2.9
105.07027	44.7
106.06538	2.2
106.07787	1.7
107.07335	27.6
111.04412	1.7
112.03991	2.8
119.08570	4.5
121.02869	8.0
121.03993	3.5
121.06506	5.2
121.10139	24.9
122.06019	8.1
122.07158	3.7
122.09678	28.1
122.10475	1.7
123.08060	4.6
133.07605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.8
51.89075	1.0
53.03711	1.0
53.03940	14.6
54.03465	8.0
55.01865	1.4
55.05513	4.7
57.82274	1.1
65.03938	6.9
67.05498	5.1
69.37943	1.5
69.38341	8.9
70.06573	1.3
72.35164	1.0
72.98048	1.0
77.03893	2.3
78.04681	1.1
79.05487	60.0
80.05037	1.2
80.05801	1.6
81.04531	14.9
81.07026	2.2
82.05309	11.4
91.05474	41.6
92.05805	1.6
93.07035	58.0
94.06554	4.2
95.04964	28.2
95.06033	5.1
103.05458	26.1
105.04521	7.0
105.07022	100.0
106.06541	2.3
106.07908	6.8
107.04897	1.2
107.07333	25.1
107.08035	1.0
111.04367	2.3
112.03992	1.7
119.08571	12.7
120.08853	1.2
121.02866	7.4
121.03992	2.3
121.04995	1.0
121.06488	10.1
121.07613	2.4
121.10130	36.7
122.06074	2.8
122.07143	53.8
122.09653	20.9
122.10472	1.6
123.08044	11.2
133.07611	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03935	4.4
59.06131	0.7
62.93769	0.5
65.03938	6.5
67.05501	1.0
71.06445	0.6
71.06776	1.4
77.03928	0.8
78.04712	1.3
78.69675	0.6
79.05491	10.3
91.05478	100.0
92.05811	3.1
93.07034	6.4
95.04964	7.3
102.04684	0.7
103.04790	1.1
103.05465	13.3
104.06248	16.0
105.04502	1.1
109.06499	1.4
115.05444	7.6
116.05775	0.8
117.07017	21.8
119.08577	84.1
120.08925	2.4
121.06487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03946	4.9
55.01859	0.6
55.05504	0.9
65.03612	0.5
65.03936	7.0
67.05494	0.6
71.57645	0.5
71.58081	0.7
74.06071	1.1
77.03914	0.8
78.93105	1.0
79.05491	6.2
80.05002	0.7
91.05478	16.2
92.04999	7.3
92.05814	7.2
93.04537	0.6
93.05795	0.7
93.07041	21.0
94.06573	0.9
94.07343	0.5
95.04967	12.4
102.04699	1.4
103.05464	100.0
104.05786	3.7
105.04511	2.5
105.07055	5.1
110.06037	1.3
118.06547	2.5
118.07346	2.2
119.07331	1.6
119.08576	0.7
120.04485	6.0
120.05707	3.5
120.08105	84.6
120.08830	3.4
121.02880	1.3
121.03979	0.7
121.06507	1.8
121.08425	2.8
121.10131	2.9
123.08102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02376	0.4
51.38520	0.3
52.65543	0.3
53.03944	2.0
55.01862	0.3
59.06122	2.4
65.03940	14.5
66.04272	0.3
67.49466	0.3
68.33221	0.3
73.35637	0.3
74.06079	0.5
75.02364	0.3
75.21012	0.3
78.04703	1.2
79.05493	4.8
81.03439	0.4
87.05592	0.7
91.05479	100.0
92.04995	2.6
92.05820	2.8
93.07052	2.9
95.04971	4.6
96.04504	0.4
96.05308	1.4
103.05463	8.4
104.05634	0.5
104.06263	7.0
105.04517	1.1
109.06509	1.0
110.06009	0.4
115.05454	4.0
117.07021	13.7
117.07863	0.7
118.07383	0.5
119.04940	9.4
119.06023	1.4
119.08576	33.7
120.04452	1.7
120.05506	1.0
120.08097	1.1
120.08911	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
53.03948	0.3
56.05030	0.2
58.06598	65.9
59.05011	0.3
59.06129	0.7
59.07378	51.8
60.07713	0.5
63.17879	0.1
65.03936	0.2
69.46499	0.1
70.14643	0.1
71.25453	0.3
74.06057	0.1
77.03909	0.1
91.05486	1.8
92.05019	0.1
94.48134	0.1
95.04973	1.1
96.04479	0.2
98.06049	0.1
102.05509	0.2
104.06276	0.1
105.04513	0.2
118.08649	100.0
119.06072	0.3
119.09027	2.4
125.85941	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	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
51.02383	0.3
53.03954	2.1
53.69123	0.3
56.05032	0.4
58.06599	79.2
59.06126	3.3
59.07381	60.0
60.07711	0.6
65.03948	0.6
71.24814	0.3
71.25159	0.4
72.08147	0.3
77.03935	0.8
78.03439	0.3
81.03429	0.3
87.05573	0.7
91.05484	6.7
95.04964	6.1
96.04504	1.1
97.71757	0.3
100.41048	0.3
102.05547	0.5
105.04503	1.6
109.06483	0.3
117.07030	0.6
118.06598	2.8
118.08652	100.0
119.04947	0.5
119.06072	1.3
119.08968	1.4
120.72707	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.0
56.96558	4.8
59.06113	5.6
67.05499	17.0
69.03411	8.0
71.56894	5.3
79.03046	2.2
79.05485	3.1
80.02945	5.5
80.06268	5.5
81.07046	3.0
89.03452	4.2
91.05492	33.1
93.07035	5.6
95.04956	3.4
100.02469	17.6
101.00861	8.4
102.04198	3.2
103.02440	14.9
103.04948	3.2
107.05264	6.3
111.04382	4.5
116.05798	11.3
116.55848	3.7
118.03548	11.3
119.01910	100.0
120.01986	6.1
121.03482	15.5
129.03926	3.0
137.02953	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01870	1.3
56.05021	2.2
56.31073	1.4
56.96552	2.1
58.02949	2.0
58.06602	8.6
59.06122	7.1
59.07372	4.6
59.93108	3.2
60.04512	4.3
60.06448	1.3
65.03937	4.7
66.63712	1.1
69.92704	2.6
69.93124	4.6
72.04499	4.4
72.08160	3.1
76.93366	25.2
91.05480	86.0
92.05822	1.4
94.94402	7.1
95.04980	8.4
105.04504	1.5
112.95422	1.3
117.05778	10.0
117.96010	2.4
118.06543	100.0
118.08647	8.9
118.96759	2.4
119.04954	2.7
119.06062	3.9
119.06901	3.3
119.08571	2.8
135.97047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01372	1.1
50.01593	2.8
51.02382	6.4
51.62309	1.1
53.03948	45.6
55.01868	1.7
58.06601	69.4
59.07382	54.7
60.96237	1.2
61.22672	1.1
65.03929	1.5
70.20923	2.3
70.21296	4.2
74.52401	1.1
76.93369	1.6
77.03932	8.0
79.05497	2.0
81.03419	3.4
82.15432	1.1
82.60882	1.1
91.05479	20.6
92.05830	1.4
95.04969	100.0
96.05316	1.8
100.50854	1.1
103.05474	1.9
104.06258	3.9
105.04520	18.5
109.06514	1.2
111.58604	1.1
116.05795	1.8
117.07034	3.0
118.05703	2.8
118.06550	50.0
118.07264	2.0
118.08657	78.4
119.06091	1.8
119.06878	2.0
119.08543	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	118.0654
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.03938	2.3
55.05505	1.0
56.05018	1.5
58.02956	1.2
58.06591	2.6
59.06112	2.4
59.07367	3.1
59.93096	2.7
60.04525	1.6
60.06464	0.9
65.03934	2.6
70.21053	3.8
72.04501	1.5
72.08168	1.7
76.93365	16.1
89.23901	0.7
91.05480	69.8
92.05812	2.0
94.94415	4.8
95.04963	4.0
105.04511	1.3
112.95453	0.9
117.05785	9.1
117.96010	1.2
118.06544	100.0
118.08615	6.4
118.96754	1.2
119.06097	1.6
119.06891	3.5
119.08614	1.3
135.97026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	L-Proline
Peak:m/z	Relative Intensity
55.01877	0.2
55.05513	1.0
55.45872	0.1
56.05033	2.2
56.96566	1.6
57.03450	0.2
57.04554	0.3
57.93567	0.9
58.02961	0.2
58.06593	0.5
59.05001	0.2
59.06125	2.8
60.04520	0.5
68.05037	0.5
69.07063	0.2
70.02965	0.3
70.06592	100.0
70.31178	0.3
70.31583	0.5
71.05011	0.2
71.06921	1.7
72.04514	0.2
72.08147	0.7
74.02441	0.2
74.06070	0.4
74.93826	4.5
75.05607	0.7
76.03999	0.3
76.07659	0.4
81.07085	0.1
92.94860	1.6
93.03712	0.1
98.06057	1.1
98.09653	0.3
98.97577	0.7
99.00810	0.2
99.05626	0.3
100.07627	0.1
110.95853	0.3
115.96438	0.4
116.03490	0.2
116.07088	6.2
116.10717	1.2
116.97258	0.3
116.98636	0.8
117.10252	0.4
127.17613	0.1
133.97467	0.3
134.99648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85186	0.4
50.87936	0.4
51.06464	0.4
54.03469	1.7
55.01867	2.2
55.03001	0.5
55.05499	1.3
55.93526	1.5
56.05044	1.1
56.96566	30.1
57.03435	3.2
57.04560	1.8
58.02955	2.0
58.06599	0.8
58.99869	1.2
59.03746	0.6
59.04992	0.5
60.04532	1.2
63.61256	0.4
65.03946	0.6
67.02989	4.9
67.05534	0.7
68.05035	2.0
69.03434	2.0
69.04556	1.7
69.07066	3.2
69.96189	0.8
70.02954	0.4
70.06590	1.0
70.93171	0.5
70.93491	0.9
71.94101	2.9
72.04518	50.7
72.08155	2.8
72.93790	100.0
73.02925	1.2
73.04041	0.8
73.93841	1.2
74.04821	26.1
77.00922	1.8
79.05493	3.4
80.05030	0.6
81.04549	1.5
82.01450	0.7
82.05321	1.6
83.44859	0.4
83.97594	0.5
84.05634	0.6
85.02910	0.9
85.04030	0.5
86.03638	0.5
86.06081	2.6
86.09676	0.5
87.05596	3.8
87.53484	0.5
88.02670	1.0
90.94829	35.7
91.54299	0.7
95.01956	1.3
96.04495	1.0
96.05615	1.6
96.07591	0.5
96.08116	2.2
97.02893	0.5
97.03999	1.5
97.06465	1.9
97.07639	0.7
100.02481	5.7
100.52441	1.1
101.00892	0.8
101.01592	0.8
102.02309	1.3
103.02405	1.1
103.05515	0.6
104.75988	0.5
105.00361	0.6
105.03368	0.5
108.95870	13.1
110.02185	0.6
111.02930	0.4
113.96407	5.1
114.02718	1.1
114.03955	2.5
114.05528	1.6
114.06662	8.8
114.09167	17.8
114.10309	1.3
115.02393	0.6
115.03974	1.0
115.08705	0.6
118.01147	0.9
118.03518	6.1
119.01923	4.6
119.03681	0.9
119.04901	0.5
120.02006	0.8
120.03329	1.4
121.01669	0.9
121.02763	2.2
121.03571	1.1
126.96886	0.5
131.01913	4.1
131.97462	6.3
131.99672	1.2
132.05069	70.4
133.03461	2.3
133.04434	0.7
133.05389	2.3
134.11143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1132.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	1.5
81.03417	1.1
81.07042	1.9
83.04975	17.2
83.08611	0.4
84.04501	1.2
85.02898	8.9
86.09696	0.3
87.04462	0.3
90.16620	0.2
91.05476	2.5
92.05000	10.8
93.07039	2.8
94.23483	0.2
95.04951	1.6
95.08601	3.2
96.04455	0.3
97.02884	100.0
98.03218	0.8
99.04448	1.1
104.05038	0.3
105.03372	0.3
105.07018	2.9
106.06544	0.6
107.08575	2.8
109.02859	0.8
109.06519	0.5
109.10145	1.6
110.06048	0.3
111.04433	24.6
111.08104	0.2
112.04750	0.3
113.02370	0.4
113.05965	0.6
115.03918	3.2
115.05415	0.6
117.07001	1.0
118.06573	0.4
119.08577	3.7
120.04456	95.1
120.96854	0.2
121.04803	0.9
121.10130	3.5
122.06049	0.2
123.11704	0.7
125.05989	0.2
126.05529	1.0
127.03911	1.4
128.06242	0.3
129.05495	2.0
129.06985	0.9
130.02879	0.3
130.06549	0.3
131.08566	2.9
132.04445	4.3
133.05219	0.6
133.06500	0.2
133.10117	2.0
134.06010	3.8
135.04454	0.4
135.08078	0.2
135.11685	1.5
137.05998	0.4
137.13271	0.4
138.05490	45.3
139.03896	2.7
139.05811	0.4
141.06992	0.3
142.07806	0.4
143.08524	1.6
144.04422	0.2
144.06563	0.5
145.04984	0.5
145.10118	3.3
146.06032	0.4
147.06520	0.4
147.08047	0.6
147.11685	1.5
148.03896	1.0
149.09622	0.6
149.13248	0.9
150.05489	1.8
151.03947	0.3
151.07637	0.3
153.05470	0.4
155.08591	0.4
157.04950	19.1
157.10120	2.4
158.06085	0.3
158.10857	0.2
159.08032	0.3
159.11681	2.9
161.05962	0.3
161.09628	0.3
161.13287	1.1
162.05515	3.9
162.07579	3.3
163.07706	0.4
163.14853	1.0
165.09102	0.3
169.10124	0.9
170.05984	1.4
170.10916	0.4
171.06396	0.2
171.11617	1.1
172.07616	0.3
173.13237	1.4
174.05505	0.8
174.33037	0.2
175.06042	0.4
175.07462	0.3
175.11096	0.2
175.14781	1.2
177.09090	0.3
177.16388	0.3
179.07043	0.4
179.14317	0.3
180.06551	6.7
181.04837	0.2
183.11678	0.9
184.07556	1.0
185.09598	0.3
185.13271	2.1
186.05432	1.3
186.86670	0.2
187.14835	2.7
188.07143	0.3
189.07535	0.4
189.09099	0.3
189.16377	2.7
191.17973	2.8
195.11765	0.3
197.13217	0.6
198.05498	3.5
199.05995	0.4
199.14786	2.9
200.06973	0.2
201.12709	0.5
201.16360	3.3
203.10738	0.3
203.14243	0.2
203.17915	1.2
204.06551	1.6
204.08647	0.9
207.06512	20.1
207.17426	1.3
208.06844	0.3
209.13182	0.4
211.14914	0.4
212.07082	3.0
213.16362	0.8
215.10757	0.2
215.17899	0.5
216.06557	2.4
217.07054	15.5
217.15860	0.4
217.19542	0.3
225.07558	1.8
225.16312	0.2
227.14214	0.3
227.17946	0.7
228.06500	0.5
229.19557	0.5
230.08090	5.6
230.10280	0.4
231.08430	0.4
231.13745	0.6
231.17239	0.2
234.07611	1.3
234.09671	0.3
239.18047	0.5
241.19534	0.2
243.08720	0.6
245.15359	4.3
246.07741	0.3
248.09200	2.5
253.19418	0.5
255.08615	0.4
255.20914	0.3
259.08203	0.3
259.16901	0.2
263.16412	0.7
264.08569	1.6
266.07660	0.3
266.10202	3.6
267.10822	0.3
267.21057	0.4
273.09564	0.3
273.18430	0.4
282.09702	1.2
284.11319	1.4
285.09680	1.1
287.19916	0.4
288.20096	0.2
294.11783	0.9
295.15326	0.7
299.19989	0.5
300.10760	4.8
303.10712	0.3
313.21500	0.3
326.12274	0.4
327.10553	0.9
345.11740	1.5
354.11740	0.9
363.12839	0.4
389.31943	0.7
391.33627	0.6
407.33112	2.1
409.34604	0.7
423.32230	0.3
425.34076	1.3
426.15973	0.5
435.32623	3.5
436.32855	0.2
451.32086	0.3
453.33630	6.8
464.15637	0.9
471.34683	1.5
482.16544	3.7
500.17603	1.5
505.21515	0.4
535.37628	0.6
563.37677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0598
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
55.01863	3.5
55.05499	3.9
57.03436	100.0
57.07071	3.1
65.03943	8.3
65.10544	1.3
67.01870	6.7
67.05503	70.0
68.05015	3.0
69.03408	4.4
69.07073	6.3
69.10616	1.3
70.02950	15.2
71.04982	8.3
71.94101	23.3
71.95267	11.3
72.08134	1.5
72.93398	2.4
72.93785	37.1
79.05506	5.9
85.06540	29.8
85.94363	1.2
86.06067	4.5
89.95132	3.2
90.94821	15.0
95.01307	4.2
95.04971	32.1
96.00848	11.5
96.08120	3.0
97.06516	1.4
98.21587	3.3
102.57747	1.3
105.31529	1.2
108.19639	1.3
108.95844	7.0
113.00025	14.3
113.02364	94.8
113.03490	14.8
113.06003	18.2
113.07915	2.7
113.10801	1.9
113.96404	3.2
114.02708	1.5
114.05509	2.5
114.09167	28.2
130.26346	1.6
131.97409	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	113.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94292	0.8
53.03941	1.3
54.03469	3.7
55.01859	3.2
55.05509	7.7
55.93518	1.4
56.05027	3.3
57.03430	3.5
57.07076	83.2
58.06594	2.5
58.07417	1.2
60.04526	2.2
65.03941	11.5
67.01860	6.3
67.02985	1.1
67.05505	100.0
68.05035	5.4
68.05831	2.3
68.99782	1.4
69.03407	2.0
69.07069	2.7
70.02963	6.2
70.06595	8.0
71.04995	16.1
71.06109	1.0
71.57558	1.2
71.94102	5.1
72.04517	3.1
72.08154	2.4
72.93789	80.2
74.04817	8.1
79.05483	1.4
81.05788	1.2
83.06100	3.6
85.06544	21.5
85.07648	1.9
86.06063	4.1
90.94828	25.6
95.01332	4.8
95.04969	24.6
95.06060	4.4
95.08577	1.3
96.00854	4.2
96.04491	2.9
96.08126	5.6
97.94001	0.8
108.95860	8.8
113.00016	2.3
113.02368	76.3
113.03503	6.3
113.05989	13.8
113.07158	7.1
113.07859	1.6
113.10751	3.2
113.96409	5.3
114.02732	2.0
114.05534	4.3
114.06639	2.6
114.09171	10.8
114.10318	1.4
131.97459	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	112.0509
Annotation	Cytosine
Peak:m/z	Relative Intensity
50.18512	0.3
52.01905	0.5
53.56390	0.3
56.01428	0.3
56.05021	0.9
56.96553	1.3
56.96808	0.3
67.03001	1.9
67.05515	0.3
68.01385	2.2
68.05006	0.4
69.03427	0.4
69.04554	10.8
69.59292	2.1
70.02953	1.6
70.06594	0.5
71.02465	0.4
71.94096	0.4
80.62634	0.3
84.04498	0.8
84.08123	1.5
94.04055	6.0
95.02452	36.6
95.06087	0.8
96.00874	0.5
96.02759	0.5
98.21507	0.4
112.05087	100.0
112.07596	1.9
113.02361	0.8
113.03514	1.8
113.05431	1.2
118.03456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
88.96204	0.2
97.40172	0.2
112.31786	0.2
134.06129	0.1
166.49030	0.2
305.19266	0.2
311.25977	0.2
343.78207	0.2
349.45065	0.2
362.18277	0.2
396.12289	0.7
397.12842	1.1
398.13989	0.4
399.14514	0.4
400.15112	0.2
409.13208	0.4
410.13763	1.7
410.60883	0.2
411.14569	3.5
412.10440	0.3
412.15320	3.0
413.15967	1.8
423.14896	1.3
424.11151	0.7
424.16272	1.6
425.16260	8.8
426.16879	5.8
427.17816	1.5
428.18594	1.2
429.15445	0.4
437.16833	0.9
438.13141	1.8
438.17548	0.9
439.13577	11.9
440.19031	4.6
441.19305	29.1
442.19641	1.6
444.17673	0.3
450.12943	0.2
451.12988	0.4
451.18124	0.6
452.14160	2.5
453.15323	14.4
454.15964	3.5
455.21442	0.3
456.18335	0.2
457.14401	0.9
458.15292	0.3
459.20370	0.3
463.14160	0.7
464.14093	0.2
465.15793	0.8
466.11938	0.3
466.16818	0.5
467.17166	22.3
468.17850	11.0
469.18875	10.2
469.24042	0.1
470.18771	0.4
471.16721	0.9
472.17484	0.5
477.15378	0.3
479.16815	0.5
480.18137	0.9
481.14780	12.7
482.15338	2.7
483.15878	0.3
483.22537	0.2
484.16895	0.3
485.18433	1.1
485.73785	0.2
486.19016	0.6
487.19736	0.3
494.17542	0.5
495.16013	4.8
496.17160	10.0
497.18091	2.8
498.19135	0.4
499.16162	0.8
499.19550	0.7
508.19495	0.6
509.18375	2.4
510.20798	0.3
512.20514	0.7
513.17676	0.3
514.22815	2.4
522.17664	0.4
523.19891	1.5
525.17688	0.2
526.18829	0.4
527.23724	2.1
528.23480	0.6
536.19855	0.3
537.19885	0.3
539.19501	0.4
540.20374	0.4
542.21649	1.2
545.24237	0.6
551.19482	0.3
554.21283	0.2
555.22394	25.3
556.22870	1.4
568.19574	0.5
573.23773	0.3
582.21246	0.3
583.21881	76.4
584.22070	4.1
586.20721	0.7
587.25073	1.8
611.21503	2.0
614.23627	0.8
615.24524	6.6
616.24677	0.2
642.23267	4.0
643.23938	100.0
644.24066	3.9
789.77429	0.2
794.31653	0.2
958.41779	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	1116.5741
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05069	0.2
79.05476	1.0
81.03406	0.6
81.07051	1.4
83.04977	8.9
83.08588	0.3
84.04491	0.7
85.02900	6.7
87.04472	0.4
91.05482	1.9
92.05000	10.3
93.07041	2.0
94.06542	0.2
95.04977	1.3
95.08598	3.6
96.04490	0.2
97.02884	69.2
98.03225	0.4
99.04443	0.9
104.04980	0.4
105.03381	0.2
105.07023	2.4
106.06551	0.7
107.04993	0.2
107.08575	2.3
109.02855	0.3
109.10154	2.1
110.06011	0.2
111.04433	13.4
113.02347	0.3
113.05981	0.4
115.03931	1.6
115.05435	0.3
116.04982	0.4
116.07743	0.1
117.07018	0.5
118.06571	0.2
119.08576	3.9
120.04456	100.0
121.04781	0.7
121.10133	2.5
123.04356	0.2
123.08007	0.2
123.11705	0.8
126.05511	0.5
127.03892	0.9
129.05476	1.3
129.06984	0.3
130.02899	0.3
130.06508	0.2
131.08556	1.5
131.34949	0.2
132.04445	5.3
133.05229	0.3
133.06392	0.3
133.10124	2.3
134.06009	4.8
135.11678	1.6
137.05994	0.2
137.13257	0.3
138.05492	62.2
139.03891	1.5
141.06950	0.2
142.06471	0.3
144.04419	0.6
145.04906	0.4
145.10110	2.9
146.05989	0.3
147.06496	0.4
147.11665	1.8
148.03952	0.9
149.13242	0.8
150.05493	2.1
156.08105	0.2
157.04956	11.3
157.10114	0.5
158.06049	0.3
159.11665	1.6
161.13232	1.2
162.04118	0.3
162.05495	5.7
162.07613	0.5
163.07578	0.3
163.14812	1.1
165.09088	0.2
170.06017	1.3
171.11647	0.3
172.07593	0.3
173.13278	1.6
174.05547	0.8
175.06003	0.3
175.14803	0.9
176.07059	0.2
177.16348	0.4
179.14146	0.3
180.06538	9.6
183.06758	0.2
184.07538	1.3
185.13300	0.9
186.05501	1.3
187.14816	3.9
189.07498	0.2
189.16371	2.6
191.10556	0.3
191.17943	5.6
198.05484	3.1
199.06032	0.5
199.14767	0.2
200.06995	0.3
201.16374	3.7
202.08636	0.4
203.17938	2.4
204.06537	2.0
204.08624	0.6
205.15886	0.2
205.19449	0.3
207.06506	10.5
207.17435	0.4
212.07059	3.4
213.16399	0.5
215.17972	0.4
216.06557	1.8
217.07066	8.1
217.19501	0.5
221.18962	0.3
222.07573	0.4
225.07607	1.4
227.17836	0.2
228.06451	0.4
229.19473	0.5
230.08109	5.9
231.21037	0.2
233.15279	1.0
234.07567	1.0
243.08673	0.3
245.15456	0.3
246.07640	0.8
247.16925	2.7
248.09154	4.9
249.09764	0.2
255.08708	0.3
259.08084	0.2
259.16779	0.2
264.08652	2.2
266.07333	0.2
266.10236	3.6
276.08691	0.2
282.09808	1.4
284.11331	1.1
285.09586	0.6
300.10773	4.0
324.10971	0.3
326.12192	0.3
327.10693	0.3
342.11725	0.3
345.11688	0.7
354.11694	0.9
362.11667	0.2
391.33780	0.8
393.35080	0.3
409.34604	5.3
411.36142	0.6
428.15811	0.2
437.34131	9.3
438.34177	0.2
455.35135	1.4
459.14496	0.2
464.15533	1.5
482.16562	4.7
500.17511	1.1
542.18274	0.3
574.38428	0.3
592.39868	1.8
684.43121	0.3
720.44922	0.2
754.44745	0.4
830.63165	0.2
877.52667	0.2
918.51489	0.2
936.49811	0.6
1098.54517	0.3
1114.55872	0.2
1116.57471	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	1116.574
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03915	0.2
79.05487	1.2
81.03428	0.8
81.07052	1.8
83.04977	9.6
83.08624	0.4
84.04493	1.5
85.02900	6.6
85.99866	0.2
87.04462	0.3
89.56612	0.1
91.05473	2.3
92.05000	9.9
93.07043	2.7
95.04970	1.6
95.08596	3.4
95.56655	0.2
96.04483	0.3
97.02886	67.1
97.10168	0.4
98.03207	0.7
99.04436	1.2
103.05451	0.3
104.05000	0.4
105.03358	0.2
105.07028	2.8
106.06548	0.6
107.04955	0.4
107.08595	2.5
109.02881	0.4
109.06522	0.3
109.10138	2.0
110.06037	0.3
111.04433	13.6
113.02374	0.3
113.06013	0.5
115.03918	1.9
115.05437	0.2
116.04943	0.2
117.05668	0.2
117.07014	0.5
118.06554	0.4
119.08577	4.3
120.04458	100.0
121.02885	0.2
121.04808	1.2
121.06504	0.2
121.10135	3.4
123.11710	0.9
125.02383	0.1
126.05505	1.9
127.03115	0.2
127.03886	1.0
129.05487	1.6
129.07018	0.3
130.06558	0.3
130.07793	0.2
131.08569	1.4
132.04443	5.2
133.05153	0.3
133.06502	0.2
133.10126	2.4
134.06015	3.7
135.04405	0.2
135.08064	0.2
135.11682	1.9
137.05968	0.3
137.13252	0.3
138.05493	59.9
139.03889	1.9
139.05800	0.5
143.08530	0.3
144.04474	0.5
144.06532	0.4
145.04962	0.4
145.10118	3.3
146.06020	0.5
147.06488	0.3
147.08060	0.4
147.11681	1.6
148.03925	1.1
149.09596	0.6
149.13254	0.7
150.05489	2.3
151.07516	0.2
153.05446	0.2
156.08069	0.2
157.04955	10.2
157.10118	0.4
158.06149	0.3
159.06633	0.3
159.11676	2.2
160.07520	0.2
161.13252	1.7
162.05495	5.3
162.07491	0.8
163.14836	0.9
167.10687	0.2
168.06551	0.3
169.10170	0.2
170.06001	1.2
171.11708	0.4
172.07521	0.2
172.12384	0.2
173.13258	1.3
174.05533	0.9
174.09015	0.2
175.06055	0.2
175.14751	0.8
177.05487	0.2
177.16383	0.5
179.10593	0.2
179.14313	0.3
180.06546	9.4
181.05014	0.2
183.11737	0.3
184.07576	1.1
185.13251	0.9
186.05502	1.5
186.07555	0.4
186.09100	0.2
187.06085	0.2
187.11153	0.2
187.14803	3.5
188.06918	0.2
189.07455	0.2
189.16396	2.3
191.10677	0.2
191.17931	5.3
198.05479	2.9
199.05997	0.5
199.14777	0.4
200.07074	0.3
201.16365	4.0
202.08640	0.3
203.14227	0.1
203.17990	2.4
204.06554	2.4
204.08665	1.9
205.07190	0.2
205.08931	0.3
205.12094	0.2
205.19618	0.3
207.06512	10.0
207.17421	0.5
211.06116	0.2
211.14871	0.2
212.07057	3.5
213.16411	0.4
215.17905	0.3
216.06573	1.7
217.07051	7.3
217.19528	0.5
219.17375	0.2
222.07721	0.2
222.09827	0.2
225.07564	1.2
227.17963	0.3
228.06502	0.5
229.15919	0.2
229.19467	0.4
230.08113	6.3
231.08398	0.3
231.21043	0.2
231.44386	0.2
233.15379	1.4
234.07637	1.1
238.07997	0.2
243.08603	0.3
245.15395	0.4
246.07568	0.6
247.16943	2.7
248.09164	4.9
253.19556	0.1
255.08574	0.2
255.21144	0.2
259.08292	0.2
264.08682	2.3
266.10217	3.8
270.50064	0.2
275.20062	0.2
282.09772	1.5
284.11179	1.1
285.09598	0.5
295.15378	0.6
300.07571	0.3
300.10773	3.9
313.16443	0.2
326.12213	0.4
327.10471	0.2
336.12936	0.2
342.11771	0.5
345.11752	0.7
354.11612	0.9
382.22223	0.4
391.33627	0.9
393.35214	0.2
409.34641	4.9
411.36191	0.7
419.33023	0.2
437.34134	8.9
438.34494	0.2
455.35059	1.3
464.15491	1.5
482.16513	4.0
500.17737	1.0
542.18915	0.2
592.40106	1.5
634.41034	0.3
683.49652	0.2
684.42249	0.4
754.44373	0.4
936.51587	0.7
1081.51404	0.2
1098.55981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	1.3
81.03434	1.1
81.07055	2.0
83.04977	23.9
83.08601	0.6
84.04504	0.5
84.05286	0.3
85.02901	16.3
87.04447	0.6
91.05454	2.2
92.05001	9.7
93.07028	2.2
95.04967	1.2
95.08600	3.5
96.04466	0.3
97.02886	71.6
98.03216	0.4
98.20831	0.3
99.04447	1.3
103.03928	0.3
104.04964	0.4
105.03366	0.3
105.07022	2.5
106.06521	0.5
107.04940	0.4
107.08593	3.5
109.02866	0.9
109.06519	0.5
109.10157	1.6
110.06011	0.3
111.04436	12.8
111.08084	0.3
112.05167	0.3
113.02364	1.2
113.06026	0.2
114.52546	0.2
115.03922	17.3
117.05480	0.2
117.07015	1.0
119.04926	0.4
119.08567	3.4
120.04457	100.0
121.02894	0.3
121.04768	0.5
121.06460	0.3
121.10130	2.4
123.04449	0.5
123.08097	0.3
123.11697	0.8
125.06042	0.2
126.05539	0.6
127.03902	1.9
128.06172	0.4
129.05472	4.0
129.07014	0.8
130.06540	0.3
131.03412	0.4
131.08568	2.9
132.04442	4.4
133.06477	0.4
133.10112	2.4
134.06020	3.3
135.04385	0.3
135.11688	2.0
136.06203	0.4
137.05980	0.9
137.13297	0.3
138.05495	59.1
139.03867	0.4
141.06990	0.3
141.28337	0.2
142.07721	0.3
143.08540	1.4
144.04410	0.7
144.06573	0.3
145.04965	0.8
145.06436	0.3
145.10112	3.2
146.05939	0.5
147.06509	1.8
147.11676	1.7
148.03918	0.5
149.05978	0.6
149.09642	0.3
149.13222	0.8
150.05492	1.8
151.07576	0.4
153.05405	0.3
156.09296	0.4
157.04959	4.9
157.10107	2.4
158.06003	0.4
159.06644	0.5
159.11676	2.4
161.05951	0.5
161.13223	1.3
162.05511	3.8
162.07584	2.9
163.07565	0.4
163.14813	0.7
165.05545	1.0
167.07018	1.0
169.10107	0.6
170.05968	1.1
170.10808	0.5
171.11668	1.3
172.07608	0.3
173.13286	1.6
174.05481	1.3
175.06017	9.0
175.14832	0.8
177.05450	0.5
177.16360	0.3
179.07056	0.5
179.14268	0.4
180.06554	7.4
181.04967	0.4
183.06561	1.4
183.11670	0.8
184.07550	0.8
184.12579	0.3
185.13243	2.1
186.05519	1.1
187.14810	3.0
189.09135	0.3
189.12773	0.2
189.16385	2.2
191.05421	0.2
191.17944	3.5
195.06413	0.2
195.11737	0.3
197.13292	0.6
198.05524	1.8
199.14799	3.3
200.07025	0.4
201.12682	0.6
201.16368	3.3
202.08667	0.2
203.10611	0.3
203.14342	0.5
203.17921	1.0
204.06541	2.6
207.06517	0.9
207.17397	1.4
209.13150	0.3
211.05971	0.3
211.14804	0.3
212.07054	2.7
213.16383	0.8
215.14264	0.3
215.17926	0.4
216.06572	0.9
217.07210	0.3
217.12267	0.2
217.15898	0.6
217.19502	0.3
222.07584	0.4
223.14767	0.3
225.07567	13.6
225.16397	0.4
227.10489	0.3
227.14297	0.5
227.17940	0.7
228.06575	0.3
229.19437	0.3
230.08090	4.7
231.08806	0.2
231.13739	0.5
234.07497	0.6
237.07474	0.5
239.17934	0.6
241.19395	0.4
243.08641	0.7
245.15364	4.6
246.07681	0.4
248.09189	3.7
251.17763	0.4
253.19481	0.6
255.08621	0.9
255.21054	0.4
257.19131	0.3
263.16327	1.2
264.08698	1.7
266.10211	4.3
267.21051	0.3
273.09723	1.3
273.18427	0.3
281.22086	0.2
282.09802	1.6
284.11270	2.6
285.09647	4.2
285.18375	0.4
287.19998	0.2
291.10617	0.3
294.11810	0.6
299.20029	0.4
300.10779	6.3
303.10703	0.7
309.11673	0.5
312.10687	1.6
321.11630	0.7
326.12326	0.3
389.31940	0.7
391.33557	0.6
407.33044	2.2
409.34689	1.1
422.14301	1.1
423.32382	0.3
425.34076	2.1
435.32587	5.0
440.15485	5.0
446.16541	0.4
451.31787	0.4
453.33615	9.7
454.33899	0.3
458.16397	3.0
471.34781	1.7
535.37524	0.7
563.37341	0.4
783.70624	0.2
967.49377	0.3
1101.38525	0.3
1113.28662	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	1090.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	1.5
81.03419	1.2
81.07044	2.2
83.04974	23.7
83.08611	0.5
84.04495	0.5
85.02898	17.1
86.09679	0.2
87.04474	0.7
91.05467	2.7
92.04998	9.8
93.07031	3.4
95.04978	1.6
95.08596	3.2
95.53989	0.2
96.04477	0.2
97.02882	69.1
97.10156	0.3
98.03216	0.4
99.04439	1.7
101.02332	0.2
101.06027	0.3
103.03951	0.2
103.05444	0.4
104.05013	0.2
105.03371	0.2
105.07021	2.6
106.06557	0.4
107.04955	0.4
107.08585	3.2
109.02881	1.0
109.06503	0.4
109.10143	2.0
110.06001	0.3
111.04431	13.4
111.08124	0.2
113.02355	1.1
113.05987	0.4
115.03919	18.2
117.05642	0.2
117.07021	1.2
118.06534	0.3
119.04967	0.3
119.08572	3.9
120.04453	100.0
121.04809	1.0
121.06519	0.5
121.10127	2.4
121.10923	0.3
123.04424	0.6
123.08038	0.4
123.09222	0.1
123.11720	0.9
125.05963	0.2
126.05501	0.4
127.03909	2.0
128.06207	0.4
129.05475	4.6
129.06914	1.0
130.06516	0.3
131.03436	0.3
131.08548	2.2
132.03448	0.2
132.04440	4.4
132.05411	0.3
133.05086	0.3
133.06532	0.4
133.10114	2.2
134.06004	3.8
134.06984	0.3
135.04413	0.3
135.11679	2.1
136.06120	0.1
137.05975	0.8
137.13242	0.3
138.05489	53.6
139.03888	0.5
139.05881	0.3
142.07779	0.4
143.08560	1.6
144.04480	0.6
144.06602	0.3
144.09216	0.2
145.04950	1.0
145.10107	3.0
146.05998	0.5
147.04463	0.2
147.06488	1.8
147.08025	0.9
147.11650	1.5
148.03943	0.9
149.05965	0.5
149.09634	0.4
149.13271	0.9
150.05504	2.2
151.03886	0.4
151.07524	0.5
151.11176	0.2
153.05444	0.2
154.06618	0.2
155.08563	0.5
156.09299	0.4
157.04953	4.1
157.10118	2.4
158.06079	0.2
159.06577	0.3
159.08012	0.3
159.11676	2.6
160.07545	0.2
160.58890	0.2
161.05960	0.3
161.09622	0.2
161.13240	1.5
162.05515	4.2
162.07582	4.0
163.06097	0.3
163.07675	0.5
163.14789	0.8
165.05515	1.2
165.06798	0.2
165.09106	0.6
167.07068	0.3
169.10121	0.6
170.05986	0.8
170.10880	0.4
171.11659	1.2
172.07529	0.2
172.12491	0.2
173.13252	1.6
174.05501	1.1
175.06018	7.4
175.07353	0.3
175.11153	0.3
175.14728	0.9
177.05455	0.3
177.09155	0.3
177.16359	0.4
179.07050	0.5
179.14323	0.4
180.06538	7.7
181.04980	0.2
181.08656	0.2
183.06516	1.1
183.10155	0.2
183.11678	0.6
184.07533	1.1
184.12440	0.2
185.07774	0.2
185.09586	0.3
185.13260	2.1
186.05498	1.3
186.09102	0.3
187.14787	2.5
188.07033	0.2
189.07602	0.2
189.09155	0.3
189.16365	2.8
191.17938	3.9
195.11705	0.3
197.13226	0.6
198.05492	1.8
199.14804	3.3
200.07071	0.2
201.12750	0.6
201.16362	3.3
202.08607	0.4
203.10632	0.2
203.14211	0.3
203.17914	1.1
204.06583	2.6
204.08501	0.4
205.15822	0.2
207.06551	0.6
207.17384	1.4
209.13264	0.3
211.05891	0.2
211.14841	0.5
212.07045	3.3
213.07527	0.2
213.16371	0.7
215.17943	0.5
216.06483	0.8
217.07169	0.2
217.15868	0.7
217.19385	0.3
219.13866	0.2
222.07658	0.2
223.14813	0.3
225.07559	11.7
225.16322	0.5
226.07918	0.2
227.14294	0.5
227.17957	0.6
228.06558	0.3
229.19505	0.4
230.08110	4.8
231.08496	0.4
231.13779	0.5
233.15292	0.3
234.07607	0.3
237.07588	0.3
237.16359	0.2
239.17879	0.5
241.19519	0.3
243.08701	0.6
245.15367	4.6
246.07591	0.5
247.16908	0.2
248.09181	3.5
251.17912	0.4
252.08818	0.2
253.19513	0.7
255.08661	0.8
255.21072	0.5
259.16840	0.2
263.16266	0.9
264.08643	1.5
266.10187	4.0
267.21155	0.5
271.16827	0.2
273.09674	1.3
273.18448	0.3
282.09702	1.5
284.11331	2.0
285.09637	3.8
285.18661	0.2
287.20099	0.3
291.10519	0.3
293.22791	0.2
294.11807	0.7
295.15457	0.4
297.13269	0.4
297.18417	0.3
299.20047	0.5
300.10776	6.2
300.14236	0.3
303.10812	0.7
308.13394	0.3
309.11652	0.5
311.14798	0.5
312.10687	0.9
313.16461	0.3
313.21533	0.3
321.11774	0.4
326.12494	0.2
382.19962	0.2
389.31955	0.7
391.33514	0.4
392.12982	0.2
407.33023	1.9
409.34564	0.8
422.14508	1.1
423.32977	0.4
425.34137	1.7
426.16229	0.7
426.20972	0.2
428.15619	0.2
435.32562	4.9
436.32733	0.2
440.15497	4.5
446.16406	0.4
451.31897	0.2
453.33585	8.8
454.33771	0.4
458.16556	2.5
471.34586	1.0
535.37872	0.5
563.37054	0.3
590.38300	0.2
602.20819	0.2
606.11987	0.2
771.59991	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	1090.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05480	1.5
81.03422	1.1
81.07057	1.8
83.04976	23.7
83.08605	0.5
84.04501	3.4
84.05291	0.3
85.02898	15.8
85.06493	0.2
87.04462	0.7
91.05461	2.2
92.04997	10.4
93.07044	2.4
94.06559	0.3
95.04946	1.3
95.08595	3.1
96.04510	0.5
97.02884	70.6
98.03236	0.3
98.05998	0.3
99.04451	1.6
101.06004	0.2
103.03949	0.3
105.03318	0.2
105.07012	2.3
106.06561	0.3
107.08582	3.2
108.08908	0.2
109.02894	1.1
109.06493	0.5
109.10158	1.9
111.04433	12.8
111.08054	0.4
113.02367	1.2
113.06038	0.4
115.03921	18.0
116.04218	0.3
117.06979	1.0
118.06554	0.3
119.08571	3.5
120.04456	100.0
121.04784	1.0
121.06496	0.3
121.10119	2.8
123.04436	0.3
123.08029	0.3
123.11703	0.9
125.06035	0.2
126.05515	4.7
127.03902	1.7
127.05869	0.6
128.06195	0.3
129.05476	5.1
129.07001	0.8
130.06580	0.3
130.07825	0.2
131.03470	0.2
131.08563	2.2
132.04442	4.5
133.05162	0.3
133.10123	2.2
134.06010	3.6
135.11682	2.2
137.05991	0.8
137.13248	0.5
138.05492	59.2
139.05830	1.1
142.07762	0.4
143.08490	1.8
144.04451	0.8
144.06557	0.9
145.04956	0.7
145.10117	3.5
146.06001	0.3
147.06516	1.7
147.08032	0.5
147.11694	1.9
148.03955	0.9
149.05966	0.4
149.09615	0.4
149.13258	0.8
150.05511	1.9
155.08560	0.3
156.09262	0.4
157.04959	4.3
157.10106	2.4
158.05923	0.3
158.10837	0.3
159.06531	0.3
159.11684	3.0
161.05977	0.4
161.13211	1.0
162.05510	4.4
162.07582	1.6
163.07449	0.4
163.14796	0.8
163.63669	0.2
165.05479	0.8
167.10660	0.3
168.06575	1.2
169.05023	0.3
169.10121	0.5
170.05991	1.1
170.10896	0.2
171.11682	1.1
173.09718	0.2
173.13239	1.6
174.05490	1.0
175.06010	8.0
175.11165	0.2
175.14893	1.0
177.05539	0.4
177.16364	0.4
179.07028	0.4
179.14278	0.4
180.06554	8.6
183.06560	1.0
183.11653	0.8
184.07545	1.1
184.12401	0.3
185.13217	2.4
186.05554	1.3
186.07603	0.9
187.14777	2.7
188.06993	0.3
189.09117	0.3
189.16344	2.5
191.17940	3.4
195.06628	0.3
197.13229	0.7
198.05470	2.2
199.14836	2.5
201.12776	0.5
201.16365	3.2
203.14352	0.3
203.17896	1.2
204.06564	2.6
204.08669	7.5
205.09015	1.4
207.06512	0.9
207.17383	1.1
211.14793	0.7
212.07043	3.3
213.12804	0.3
213.16414	0.8
215.17935	0.8
216.06548	0.9
217.07112	0.6
217.15892	0.6
217.19492	0.5
222.07709	0.3
222.09702	1.5
225.07565	12.3
225.16386	0.5
227.14293	0.4
227.17960	0.8
228.06491	0.3
229.15802	0.3
229.19484	0.3
230.08109	4.4
231.08646	0.3
231.13867	0.5
233.98134	0.2
234.07568	0.4
237.07544	0.6
239.17993	0.7
241.19505	0.4
243.08586	0.7
243.13866	0.3
245.15369	4.6
246.07620	0.4
247.17012	0.3
248.09186	3.4
252.54657	0.2
253.19507	0.5
255.08640	0.7
255.21123	0.3
259.16928	0.3
263.16449	1.0
264.08670	1.7
266.10217	5.0
273.09756	1.2
282.09805	1.3
284.11264	2.8
285.09656	3.2
285.18384	0.6
287.20190	0.3
291.10712	0.3
294.11877	0.3
295.15457	0.3
297.18478	0.4
299.19760	0.4
300.07574	0.4
300.10770	6.0
303.10632	0.6
309.11786	0.3
311.20081	0.3
312.10739	1.4
313.21664	0.4
321.11835	0.6
326.12363	0.8
350.14465	0.9
378.11575	0.2
389.31949	0.8
391.33780	0.4
407.33023	2.2
409.34393	0.6
422.14301	1.1
425.34198	1.8
428.15518	0.3
435.32550	4.6
440.15521	5.4
446.16479	0.6
451.32132	0.3
453.33603	8.8
458.16669	2.6
471.34753	1.2
482.18347	0.4
535.37335	0.3
547.95801	0.2
563.36859	0.3
659.41663	0.2
687.57965	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02370	1.1
53.03945	13.1
54.04295	0.5
55.01873	0.7
55.05508	12.2
55.83227	0.4
59.55924	0.4
60.58086	0.4
61.84399	0.5
63.30193	0.4
65.03938	7.1
66.04726	0.6
67.04255	1.4
67.05502	100.0
67.33910	0.5
67.93584	0.7
68.05024	4.9
68.05835	1.8
68.95280	0.7
69.04540	2.6
69.07063	5.6
69.62381	3.3
79.05490	17.9
80.05020	0.9
80.06268	1.3
81.03416	17.4
81.04531	0.7
81.07051	36.7
82.02937	0.4
82.03770	0.5
82.06577	3.7
82.07391	1.3
83.06102	1.1
83.28186	0.5
91.05475	4.6
92.05017	1.2
94.04187	4.1
94.07814	1.9
95.04981	0.8
98.21478	0.9
105.07042	0.8
107.04935	1.3
107.08569	3.6
109.02882	3.4
109.06516	11.2
109.07636	8.5
109.08374	0.9
109.10154	28.7
110.06044	7.2
110.07174	9.9
110.07917	0.3
110.10500	0.8
111.04444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.42469	0.3
51.02392	0.5
51.56938	0.3
53.00299	0.8
53.03946	14.4
55.01868	9.6
55.05507	6.4
65.03938	8.9
66.04723	2.2
67.05502	44.3
67.93542	0.6
68.05032	3.0
68.05828	0.5
68.45303	0.3
68.95300	0.5
69.03427	0.4
69.04535	0.7
69.07072	3.3
71.58483	0.6
79.05490	55.9
80.05022	0.3
80.05817	1.3
80.06248	0.8
81.03415	15.3
81.07053	49.9
82.03738	0.5
82.06592	1.7
82.07361	0.5
83.06101	0.4
91.05478	17.6
92.04977	0.8
92.05835	0.4
94.04183	7.4
94.07806	0.7
95.04993	2.6
99.38316	0.3
105.04498	0.5
107.04948	2.0
107.08585	1.4
109.02863	3.1
109.06513	100.0
109.07578	6.0
109.10150	14.9
110.06164	3.5
110.07212	5.4
111.04385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01604	0.6
51.02375	2.4
53.00308	1.2
53.03946	50.0
54.04284	1.2
55.01874	3.4
55.05511	2.4
56.05040	0.5
56.96564	4.7
62.70574	0.3
65.03939	4.7
67.03002	0.4
67.04256	1.8
67.05505	15.5
67.93581	1.0
68.05029	10.0
68.95290	1.3
68.99818	0.4
69.03437	0.4
69.04552	0.5
69.05809	0.9
69.07075	1.1
70.70654	1.1
77.00793	0.4
79.05488	6.0
80.05035	1.6
81.03416	100.0
81.07052	7.8
82.03741	2.1
82.04192	0.4
82.06578	7.5
83.06117	0.4
91.05489	1.4
92.04991	2.9
94.04215	1.5
94.88736	0.4
95.00763	0.4
98.97570	0.8
106.01023	0.3
107.04958	0.7
107.08600	0.5
109.02879	16.0
109.04063	0.8
109.05319	0.7
109.06544	3.2
109.07642	22.3
109.10149	4.8
110.06043	6.2
110.07166	0.9
116.98667	0.7
123.67577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.6
51.02385	3.3
53.00309	1.1
53.03946	49.0
54.04285	1.3
55.01868	3.1
55.05506	1.8
56.05032	0.3
56.96563	0.9
57.03431	0.2
62.99081	0.2
65.03934	1.6
67.04262	0.4
67.05502	12.1
68.05012	0.3
69.07065	0.8
71.56438	0.3
71.56820	0.3
79.05489	3.9
80.05035	0.6
81.03416	100.0
81.07050	5.7
82.03739	2.0
82.06583	1.4
83.04950	0.3
83.06099	1.3
91.05465	1.2
93.04523	0.6
94.04160	1.4
95.04978	0.3
100.02458	0.3
107.04942	0.4
107.08575	0.3
109.02876	15.3
109.06523	2.7
109.07644	2.0
109.08377	0.4
109.10152	3.4
110.03204	0.5
110.06049	4.9
110.07176	1.0
114.74940	0.3
118.03543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02375	2.6
52.00081	0.7
53.00303	1.3
53.03945	58.6
53.33320	0.7
54.04279	0.9
55.01877	3.7
65.03935	1.4
67.05493	3.2
69.89122	3.9
79.05509	0.9
81.03413	100.0
81.07052	0.7
82.03757	1.8
82.06581	2.0
89.52697	0.8
91.22402	0.8
96.20000	0.8
98.20677	0.9
108.87499	0.8
109.02868	14.1
109.07630	2.3
109.10080	1.1
110.06043	8.3
122.59503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
90.78747	0.3
96.82261	0.3
127.11866	0.3
139.15941	0.3
169.65399	0.3
171.24026	0.3
180.41594	0.3
300.98886	0.3
396.12308	0.5
397.12976	0.9
410.13766	1.0
411.14444	3.6
412.15387	2.4
413.15988	1.5
423.14758	0.9
424.10992	0.7
424.15967	0.7
425.16196	6.9
426.16916	5.0
427.17532	1.2
428.18375	1.1
437.16214	0.8
438.12808	1.1
438.17389	1.0
439.13614	11.3
440.13461	0.8
440.19122	3.6
440.43332	0.3
441.19247	26.5
442.19910	1.8
451.18057	0.3
452.13910	1.8
453.15231	11.1
454.15857	3.9
455.16849	0.4
457.14981	0.6
459.20306	0.5
463.14090	0.6
465.15762	0.4
466.16281	0.5
467.17136	18.0
468.17892	9.6
469.18719	8.7
470.18903	0.4
471.16519	0.7
472.17258	0.5
480.17819	0.7
481.14758	11.4
482.15079	2.3
485.18256	1.1
495.15918	3.6
496.17184	9.9
497.17856	2.0
499.15875	0.4
499.20242	0.5
508.18390	0.4
509.18402	1.8
512.20624	0.9
513.21149	0.6
514.22650	2.4
522.17871	0.7
523.19586	0.9
527.23267	2.3
528.24249	0.4
537.19653	0.5
539.19330	0.5
542.21661	0.7
545.24359	0.5
554.21576	0.4
555.22369	24.3
556.22815	2.2
573.23987	0.5
583.21857	67.7
584.22113	5.4
586.20392	0.6
587.24622	1.7
611.21405	2.0
614.23596	0.6
615.24542	7.0
642.22919	3.6
643.23901	100.0
644.24139	6.0
1077.48083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04484	1.2
79.05493	1.5
80.05022	0.7
81.03417	1.3
81.07053	1.3
82.06582	3.1
83.04990	4.2
83.06103	3.3
84.04504	28.1
84.08142	100.0
85.02919	3.3
85.06544	0.9
87.05581	0.8
91.05477	16.5
93.07067	2.7
94.06586	1.3
95.04982	1.7
95.08603	1.2
96.04488	4.2
96.08141	0.8
97.02900	4.0
97.03937	0.5
98.06054	1.7
98.09698	1.1
99.04464	0.4
99.08096	1.7
101.07155	0.6
101.10775	1.4
103.05464	2.5
104.01496	0.5
105.03397	1.6
105.07069	1.3
106.06574	2.4
107.04956	8.4
107.06075	0.6
108.04470	1.1
109.02885	0.7
110.06058	1.2
110.09680	0.5
110.70044	0.4
111.04457	2.1
111.09175	2.3
111.36240	0.4
112.07604	1.3
114.05547	0.8
115.03952	1.6
115.05500	0.9
116.04984	1.0
117.05766	1.4
117.07037	1.1
118.06541	12.6
118.07356	0.8
119.04950	4.0
119.07324	2.1
119.08627	1.6
120.04462	0.9
120.08108	6.1
121.06512	1.8
121.10152	1.0
122.06024	1.1
123.04488	0.5
125.07148	2.1
125.10756	0.9
126.05515	21.6
127.03951	0.6
127.08691	0.6
129.05527	1.6
129.07024	0.8
129.10240	33.6
130.06519	1.6
131.04932	3.7
131.08617	0.6
132.08128	1.7
133.05199	0.8
133.06172	2.8
134.06015	4.1
135.06845	1.7
135.09186	1.6
136.07582	18.9
137.07097	0.7
138.05495	8.0
139.08679	4.6
141.06975	0.5
143.08537	0.9
144.04497	0.6
144.06589	3.0
144.08177	0.7
145.05078	0.7
145.06494	0.6
145.10143	1.1
145.56888	0.4
146.06006	22.0
147.04443	1.6
147.06673	0.5
147.08025	0.9
148.07571	0.7
149.09683	0.7
149.10777	2.7
150.09106	0.6
151.08719	1.8
155.08353	1.6
158.06096	1.1
159.06831	0.5
159.08054	0.7
160.07553	1.1
161.09612	4.6
162.05553	3.5
162.07613	15.4
163.07848	0.7
165.09164	0.9
167.08554	1.1
167.11810	1.1
168.06569	2.2
169.10078	1.0
171.08095	0.8
172.07632	0.6
172.11285	1.2
173.09637	3.1
174.05498	1.0
174.12755	0.5
179.08575	0.7
180.08659	0.8
183.08151	0.6
184.07529	0.7
184.11215	1.1
185.09660	1.0
186.05583	3.8
186.07628	1.1
186.12794	2.4
187.07576	0.5
189.13969	1.2
190.12280	5.8
191.11780	6.7
191.18016	0.6
196.11176	0.7
198.09175	0.8
198.14125	0.5
199.07625	0.9
199.10753	0.8
200.08621	1.1
200.10805	5.4
201.09229	1.2
202.12294	5.3
203.10512	1.4
204.08632	3.2
207.08070	1.8
208.11169	0.5
210.09163	0.7
211.07683	0.8
212.10651	2.7
212.34171	0.5
213.09253	0.8
216.06543	0.5
216.10095	2.3
217.13487	0.6
221.09589	0.5
221.11617	1.0
224.10695	5.7
224.12505	0.5
225.07732	0.8
226.08669	1.4
228.10201	17.7
229.13531	0.6
230.08224	1.4
230.11888	0.9
232.13434	0.9
233.12961	1.8
234.09373	0.7
236.10722	3.5
238.12209	0.6
240.10393	1.0
240.13498	0.7
245.13089	1.0
246.09215	1.0
247.14482	1.5
250.14316	4.7
254.08253	1.6
256.09839	0.5
257.12958	1.5
260.12958	1.7
264.10211	1.4
272.13037	1.7
273.12363	1.0
274.15717	1.8
279.10031	1.0
281.12811	0.5
290.15341	1.3
294.11975	1.9
294.14993	0.6
296.12491	2.5
299.10385	2.2
300.13718	0.6
302.15170	1.1
304.94989	0.5
308.13516	2.4
311.17722	0.7
317.11322	4.2
317.16779	0.5
327.17383	0.6
328.13492	0.9
330.14828	0.9
335.17615	1.3
339.17102	1.0
345.16046	0.8
347.17667	0.8
350.17795	0.8
354.18262	0.8
365.14996	1.1
367.12741	0.7
367.16739	0.7
372.19305	2.2
373.15509	2.7
382.17822	1.8
384.19244	2.1
391.16833	1.6
392.16174	1.7
401.15390	0.7
405.18317	1.1
407.19446	1.0
410.17090	4.5
419.16000	0.5
424.22168	0.6
424.93079	0.5
432.21448	0.8
433.17737	0.6
437.34387	0.7
440.17957	1.7
451.18835	0.7
484.22531	0.8
529.24670	2.5
545.23663	0.6
547.25714	2.0
561.27118	0.8
564.21478	0.8
664.31348	1.7
668.27271	0.5
682.32458	1.1
692.31201	3.6
696.34314	0.8
710.31769	2.4
714.27826	1.5
724.33545	4.1
737.82965	0.5
742.34375	5.1
807.33649	5.0
824.36102	7.9
825.34717	4.5
839.35974	8.9
842.37146	16.0
843.39362	0.6
846.40662	0.5
856.38690	9.7
857.37115	14.7
866.38257	1.0
874.39716	38.8
875.39771	0.8
898.38666	1.0
925.40613	2.4
957.43066	2.9
1027.44495	2.4
1041.49731	0.5
1045.45288	15.4
1059.46692	6.7
1077.47742	51.9
1078.47278	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02384	0.6
51.58902	0.3
53.03949	3.3
55.01874	0.4
55.05508	0.5
58.94771	0.3
65.03940	17.0
66.04272	0.4
67.04255	1.7
67.05501	3.3
69.59482	2.2
73.19676	0.3
77.03941	0.8
77.76929	0.3
77.85501	0.3
78.04316	0.3
78.24543	0.3
79.05492	24.6
80.05013	4.2
91.05482	100.0
92.03775	0.3
92.05800	1.3
92.06274	2.9
93.05766	0.4
95.04968	5.4
98.21478	0.6
103.05488	0.9
105.04512	1.3
105.07029	27.5
106.06564	1.6
106.07359	0.8
107.04961	7.9
107.06083	1.4
107.08591	18.8
108.04525	0.5
108.05656	0.4
108.08144	0.7
108.08884	0.5
109.06518	13.3
110.06912	0.5
117.25172	0.3
119.06069	3.9
124.05234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1072.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04482	1.7
77.03941	0.4
79.05486	1.6
81.03432	1.2
81.07053	3.4
82.09750	0.2
83.04977	23.7
83.08620	0.6
84.04503	1.3
85.02901	19.7
86.03227	0.2
87.04467	0.9
91.05475	2.9
92.05003	8.7
93.07040	4.1
95.04966	2.1
95.08601	5.1
96.04494	0.4
97.02886	72.0
98.03210	0.3
98.06029	0.2
99.04468	1.8
101.02333	0.3
101.06034	0.4
103.03949	0.4
103.05465	0.2
104.04963	0.4
105.03384	0.4
105.07016	2.9
106.06553	0.5
107.04969	0.4
107.08585	3.7
109.02877	1.2
109.06504	0.4
109.10140	2.2
110.06087	0.3
111.04439	14.4
113.02367	1.1
113.06000	0.5
115.03925	21.4
117.07002	1.5
118.06564	0.3
119.08586	3.9
120.04461	100.0
121.04814	0.7
121.06497	0.4
121.10132	3.6
123.04440	0.2
123.11697	0.8
125.05976	0.3
126.05507	0.9
127.03893	2.4
129.05478	4.4
129.06981	0.9
130.06546	0.3
131.03418	0.5
131.08566	3.6
132.04445	5.3
133.05122	0.7
133.06505	0.5
133.10149	2.6
134.06023	4.3
135.04382	0.3
135.08092	0.4
135.11688	2.5
136.06203	1.0
137.05942	1.0
137.13258	0.6
138.05496	52.1
139.03877	0.5
139.05836	0.5
141.07095	0.3
142.07803	0.6
143.03404	0.2
143.08530	1.7
144.04430	0.4
144.06561	1.0
144.08066	0.2
144.09225	0.3
145.04944	0.7
145.06584	0.3
145.10120	3.6
146.06007	0.6
147.06520	2.4
147.08052	0.4
147.11674	1.6
148.03902	1.0
149.05991	0.5
149.09639	0.3
149.13278	1.1
150.05484	2.9
151.03938	0.2
151.07491	0.3
151.14833	0.5
153.05554	0.3
155.08536	0.5
156.09273	0.3
157.04956	4.9
157.10132	3.1
158.06033	0.5
159.06636	0.4
159.07961	0.3
159.11691	3.1
161.05977	0.4
161.09673	0.3
161.13206	1.1
162.05534	5.1
162.07607	10.3
163.07530	0.5
163.14839	0.7
165.05521	1.0
165.09059	0.3
167.07033	0.2
169.04913	0.3
169.10127	0.8
170.05989	1.5
170.10889	0.2
171.08061	0.4
171.11653	1.4
173.13284	1.4
174.05530	1.4
175.06033	9.2
175.07434	0.4
175.11115	0.3
175.14828	1.2
176.07027	0.3
177.05499	0.4
177.09171	0.3
177.16385	0.4
179.07011	0.3
180.06551	8.9
181.04953	0.3
181.10107	0.3
183.06563	1.0
183.11713	0.7
184.07549	1.5
184.12451	0.3
185.09705	0.4
185.13254	1.7
186.05495	1.6
187.14845	1.8
188.06981	0.2
189.09085	0.6
189.16379	3.5
191.17935	5.8
192.06476	0.2
195.06644	0.4
195.11629	0.5
197.13219	0.4
198.05507	2.3
199.11232	0.2
199.14816	4.2
200.07108	0.5
201.12753	0.7
201.16386	4.0
202.08687	0.4
203.14247	0.4
203.17937	1.9
204.06566	3.2
204.08641	0.6
207.06496	0.5
209.13234	0.6
211.06027	0.2
211.14937	0.4
212.07042	4.3
212.08990	0.4
213.07585	0.3
213.12695	0.3
213.16420	0.7
215.17964	0.5
216.06578	1.2
217.15843	1.0
217.19453	0.5
222.07707	0.3
225.07562	11.7
227.14331	0.7
227.17921	0.5
228.06578	0.6
229.19562	0.3
230.08125	5.8
231.13789	0.5
234.07570	0.6
237.07494	0.4
237.16368	0.3
239.17949	0.6
241.19453	0.4
243.08635	0.4
243.13773	0.3
245.15372	6.5
246.07738	0.6
248.09189	4.9
251.17923	1.0
252.08704	0.3
253.19559	0.7
255.08694	0.8
255.21077	0.6
259.16910	0.6
263.16431	1.1
264.08704	2.2
266.10226	5.0
267.21078	0.2
273.09714	1.3
282.09744	1.9
284.11298	2.6
285.09677	2.9
285.18420	0.5
287.20056	0.2
293.82413	0.3
294.11948	1.2
295.15363	0.9
297.18414	1.4
299.20016	0.2
300.10791	6.2
303.10794	0.7
308.13455	1.0
309.11673	0.5
311.14853	0.3
311.20004	0.3
312.10770	0.9
313.16403	0.6
321.11847	0.4
324.13089	0.4
326.12061	0.3
389.32053	2.0
391.33627	1.1
396.12427	0.2
405.31577	0.3
407.33075	2.1
417.31418	0.6
422.14249	1.5
426.15826	0.7
427.19446	0.2
435.32623	8.2
440.15475	4.4
446.16537	0.6
453.33682	6.0
454.33838	0.3
458.16559	2.2
517.36804	0.4
545.36530	0.4
563.37231	0.3
696.27991	0.2
716.73755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03950	3.3
54.96660	0.3
55.01868	0.8
56.96565	0.5
60.15214	0.3
63.02379	0.4
65.03941	16.1
67.04240	0.6
67.05503	2.0
69.59364	2.5
77.03926	0.7
77.99670	0.3
79.05494	16.8
79.85445	0.3
80.05022	4.1
80.05839	0.5
81.03407	0.6
91.05480	100.0
92.05766	1.8
92.06300	2.6
93.05785	0.8
95.04961	6.9
96.04505	0.6
98.21035	1.1
98.21630	0.3
100.38210	0.4
103.05478	0.6
105.04522	1.1
105.07030	25.9
106.06563	1.3
106.07328	0.5
107.04958	10.0
107.06055	1.5
107.07397	0.5
107.08592	20.9
108.04482	1.2
108.05594	1.1
108.08109	1.7
108.08898	0.6
109.06518	14.9
119.06064	4.4
124.05204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03944	1.8
55.01884	0.5
55.05507	0.2
58.45549	0.2
65.03937	16.4
65.47142	0.2
66.03477	0.2
66.04272	0.3
67.04247	1.1
67.05501	1.9
71.57504	0.3
77.03919	0.4
79.05490	14.8
79.60950	0.2
80.05020	3.5
80.05791	0.3
91.05478	100.0
92.03773	0.3
92.05803	2.4
92.06276	2.3
93.05795	0.5
95.04961	4.6
103.05459	0.7
105.04532	0.7
105.07027	25.5
106.06545	1.6
106.07344	0.6
107.04954	5.7
107.06088	0.9
107.07409	0.5
107.08588	19.8
108.04484	0.4
108.05573	0.4
108.08102	0.8
108.08934	0.5
109.06512	14.6
109.54362	0.2
110.06835	0.4
119.06061	4.6
124.05199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.9
51.02381	3.1
53.03947	22.8
55.01864	1.5
56.96550	1.0
58.54197	0.6
61.01162	1.0
64.92807	0.6
65.03937	2.5
69.94665	3.4
73.22121	0.5
77.03928	4.8
78.03460	1.3
78.04723	1.3
79.05494	73.0
80.05819	0.9
81.03400	2.3
83.50548	1.0
87.00828	3.9
91.05474	2.0
95.04970	49.2
96.04486	3.9
96.05330	0.8
103.05466	46.7
104.05747	0.9
104.90794	0.8
105.03406	2.1
105.04518	10.9
105.07030	100.0
105.11063	1.7
106.04193	0.7
106.06570	1.9
106.07360	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01584	1.3
51.02374	3.7
53.03946	21.0
55.01863	1.3
56.96559	0.6
65.03931	2.4
69.94872	3.0
77.03925	5.4
78.04696	0.8
79.05489	70.3
80.05838	1.0
81.03405	2.0
91.05474	1.8
95.04963	46.1
96.04474	1.5
96.05296	1.1
103.05463	42.9
104.05757	1.0
105.03394	3.0
105.04515	9.0
105.07027	100.0
105.11051	1.2
106.06574	1.4
106.07357	2.4
119.10000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.548
Annotation	Unknow
Peak:m/z	Relative Intensity
73.83578	0.6
77.73366	0.7
79.05496	29.8
79.05969	1.6
81.03436	4.1
81.07059	39.4
82.07379	0.7
83.01332	1.5
83.04974	3.0
83.08620	5.4
84.04523	0.7
85.02900	7.5
85.06545	1.1
86.09693	1.6
91.03957	2.1
91.05482	24.3
93.03403	1.3
93.07043	30.9
95.00838	0.7
95.01312	3.7
95.04971	9.5
95.08609	28.3
97.02903	5.3
97.06519	2.9
97.10168	3.1
99.04498	0.8
101.02386	1.2
103.05482	2.8
105.03391	1.6
105.07034	16.4
107.04971	3.9
107.08603	14.6
109.02892	2.2
109.06500	2.1
109.10152	11.9
111.04460	0.8
111.08071	1.6
115.05458	3.1
117.07014	10.8
119.04943	2.4
119.08588	13.8
120.04402	0.9
121.02879	1.5
121.06507	2.4
121.10149	12.6
121.70176	0.7
123.04428	2.8
123.08057	2.0
123.11739	3.4
125.02332	2.4
125.09609	0.9
127.03873	1.7
128.06232	3.3
129.06995	8.8
130.07779	1.0
131.04930	2.5
131.08575	13.3
133.06496	3.8
133.10139	7.8
135.04422	3.7
135.08105	1.5
135.11681	6.4
137.02380	0.8
137.06044	1.2
137.09636	1.2
139.03926	1.9
139.11200	1.0
141.06995	4.0
142.07791	1.0
143.08548	7.1
145.06471	4.7
145.10136	9.3
147.04379	3.7
147.08044	3.0
147.11671	6.9
149.02327	3.5
149.05959	2.9
149.09630	2.1
149.13261	3.7
151.03897	3.1
153.07030	1.3
154.07774	1.2
155.08542	5.4
156.09372	1.0
157.06502	3.5
157.10115	6.4
159.04507	1.8
159.08057	2.4
159.11682	6.9
161.02272	1.1
161.05986	2.9
161.09659	1.0
161.13268	3.1
162.07732	0.9
163.03882	4.4
163.06015	1.3
163.07510	1.1
163.11224	1.7
163.14847	1.3
165.01843	1.7
165.05493	2.2
165.07068	2.1
166.07755	1.3
167.03436	1.2
167.08603	3.9
169.06456	0.9
169.10161	5.0
171.04367	1.2
171.08038	2.2
171.11668	5.5
173.02376	0.9
173.05986	4.6
173.09630	2.4
173.13268	4.4
175.03925	4.0
175.07581	1.6
175.11156	1.8
175.14772	2.1
177.05487	2.0
177.12717	0.8
178.07782	1.0
179.08525	1.9
181.04959	1.1
181.06439	1.0
181.10135	3.3
182.10966	1.0
183.08064	2.2
183.11687	2.9
184.07341	2.3
185.05995	2.1
185.09602	2.6
185.11795	0.8
185.13162	3.9
187.03865	1.7
187.07484	1.0
187.11197	3.1
187.14819	1.3
189.05475	6.3
191.03462	1.5
191.07007	0.9
191.14314	1.0
193.10118	1.3
195.08090	1.5
195.11714	3.1
197.04492	0.9
197.09596	2.4
197.13272	3.3
199.03966	1.5
199.07588	1.7
199.11201	2.5
199.14836	1.9
201.05453	2.4
201.12833	1.1
201.16438	0.9
203.07089	1.1
203.14355	1.1
205.04924	1.2
205.10132	1.4
205.12019	0.8
207.11674	1.4
209.09647	2.0
209.13257	1.4
211.07516	1.3
211.11133	0.9
211.14818	1.0
213.05441	1.3
213.09108	0.9
213.12746	2.8
213.16431	1.2
215.10655	1.9
217.04955	2.5
217.12296	1.0
221.04428	8.9
221.13243	1.2
223.05910	1.1
223.11168	2.1
223.14911	0.8
225.04488	0.8
225.09120	3.3
225.12682	1.4
227.10611	2.6
229.12245	0.8
231.10179	1.0
233.11737	5.0
235.05843	1.3
235.14903	0.8
239.10770	0.9
241.08586	0.8
241.12291	5.9
241.19710	1.0
243.10170	3.0
243.21083	2.0
245.11803	1.2
251.10690	2.6
253.08488	0.9
255.10216	1.5
259.13333	2.6
259.20596	1.8
261.11188	1.4
261.22128	5.3
269.11722	5.5
271.13333	1.3
277.10751	2.8
287.12894	5.8
289.10742	1.3
289.14267	1.0
297.11200	4.0
297.22009	0.9
299.23816	0.8
305.13800	3.1
307.15454	1.1
315.12271	11.5
317.13791	1.0
333.13321	40.6
333.24173	4.1
334.13629	1.5
335.25803	100.0
336.26230	2.2
351.14447	5.9
387.25250	0.8
407.16946	7.3
417.31458	0.9
425.18091	45.4
426.18604	1.1
427.19489	2.0
435.32834	4.5
443.19122	4.4
453.33298	1.7
471.34900	0.8
485.25192	1.1
509.36435	3.5
511.32645	1.3
527.37323	25.9
528.38007	8.4
529.38843	3.1
545.32416	1.0
547.33765	1.3
557.32440	2.9
565.34918	1.3
567.36224	1.5
575.33978	4.2
585.37970	0.9
587.23077	0.9
593.34790	9.8
611.35742	14.1
629.36487	2.2
631.35944	1.1
649.36957	3.2
667.38245	12.5
685.39429	53.6
686.39148	2.3
703.40497	42.7
704.40686	2.5
844.16309	0.8
850.16760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	2.0
51.02382	7.3
51.81823	0.2
53.00297	0.4
53.03947	35.5
54.04282	0.4
55.01874	2.0
65.03931	0.2
67.05497	0.4
68.99775	0.4
70.14761	0.8
75.40845	0.2
77.03930	10.6
77.52857	0.2
79.05493	9.3
80.05834	0.2
81.03420	4.3
83.44675	0.2
83.50532	0.2
89.04568	0.2
95.04968	100.0
96.04481	0.4
96.05300	1.5
98.21288	0.4
103.04781	0.1
103.05466	6.1
105.03391	28.9
105.04513	18.2
105.07028	13.3
105.11050	0.3
106.03721	0.5
106.04845	0.3
106.07350	0.2
118.06548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02383	6.5
53.03946	34.1
55.01863	2.4
60.04527	0.9
61.08521	0.9
65.03929	3.1
71.28814	1.5
77.03934	7.0
78.03439	1.2
79.05494	70.3
80.05820	1.4
81.03418	4.0
91.05488	1.5
93.53738	0.9
95.04968	77.0
96.04501	3.2
96.05301	1.6
102.20885	0.9
103.05466	44.8
104.05773	1.2
105.03414	10.0
105.04516	13.3
105.07030	100.0
105.11071	1.0
106.06571	1.6
106.07363	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02913	10.8
74.45191	0.2
75.04472	1.4
79.05481	1.4
80.00399	0.2
81.03422	1.2
81.07044	2.0
83.04974	7.0
83.08616	0.7
84.04501	0.5
84.08148	0.3
85.02898	25.1
87.04451	1.0
91.05476	2.1
92.04996	8.2
93.07029	2.8
94.06515	0.2
95.04936	1.1
95.08596	3.4
97.02883	16.5
97.06464	0.2
98.21174	0.6
99.04451	1.3
101.06011	0.4
103.03913	0.5
104.04964	0.3
105.07016	2.5
105.56773	0.2
106.06532	0.5
107.04964	0.5
107.08591	3.3
109.02862	1.0
109.06480	0.3
109.10155	2.0
110.06023	0.4
111.04437	5.4
111.08041	0.2
113.02350	0.7
113.05996	0.5
115.03921	9.0
115.04743	0.4
117.05532	0.3
117.06979	0.8
118.06553	0.4
119.08570	3.4
120.04456	100.0
121.02866	0.2
121.04778	0.8
121.10130	2.9
123.04414	0.4
123.08083	0.2
123.11700	0.9
125.05932	0.3
126.05502	0.3
127.03905	2.5
128.06223	0.4
129.05467	7.2
129.07013	0.6
130.06522	0.3
130.07759	0.3
131.08572	2.5
132.04437	4.2
133.04970	1.9
133.10124	2.2
134.06009	3.1
135.04434	0.6
135.11684	2.2
136.06171	0.3
137.05980	0.6
137.13242	0.3
138.05490	62.9
138.24937	0.2
139.03867	0.7
139.05800	0.5
142.06485	0.2
142.07771	0.4
143.03418	0.2
143.08540	1.5
144.04434	0.7
145.04927	1.1
145.06412	0.2
145.10103	3.2
146.05992	0.4
147.04494	0.2
147.06508	4.3
147.07785	0.3
147.08020	0.2
147.11691	1.9
148.03929	1.1
149.04422	0.2
149.05904	0.4
149.09627	0.3
149.13264	1.0
150.05507	1.9
151.03838	0.3
151.07542	0.3
153.05518	0.3
155.08467	0.4
156.09317	0.4
157.04967	0.8
157.10130	2.3
158.06012	0.2
159.06549	0.2
159.07962	0.3
159.11678	3.1
160.07555	0.2
161.05981	0.4
161.09660	0.3
161.13245	1.5
162.05508	4.6
162.07568	2.6
163.06003	0.4
163.07562	0.4
163.14787	1.0
165.05489	0.3
165.07600	0.5
167.06999	0.4
169.04948	1.1
169.10069	0.5
170.06029	1.0
170.10858	0.4
171.06506	0.9
171.07912	0.2
171.11646	1.3
173.09505	0.2
173.13245	1.5
174.05521	0.9
175.06110	0.3
175.07547	0.3
175.14781	1.0
177.05537	0.3
177.09064	0.3
177.16342	0.6
179.06941	0.4
179.14229	0.4
180.06540	5.3
181.04893	0.2
181.10054	0.3
183.06516	0.5
183.11705	0.7
184.07616	0.9
185.09622	0.4
185.13246	2.1
186.05486	1.0
187.14821	3.3
188.07060	0.3
189.09119	0.4
189.12544	0.2
189.16396	2.8
191.17935	4.1
192.06618	0.2
193.16034	0.2
195.11563	0.3
197.13261	0.5
198.05496	2.4
199.05928	0.4
199.14806	3.4
200.15051	0.2
201.12750	0.4
201.16351	3.4
203.14357	0.4
203.17885	1.3
204.06532	1.3
204.08443	0.3
207.06535	0.5
207.17412	1.3
209.13232	0.3
211.05934	0.2
211.14720	0.6
212.07042	2.3
213.12680	0.2
213.16365	0.8
215.17914	0.6
216.06499	1.4
217.15900	0.6
217.19467	0.3
219.13750	0.2
225.07582	4.7
225.16422	0.3
227.14285	0.3
227.17953	0.9
228.06619	0.4
229.19496	0.5
230.08110	3.4
231.13843	0.5
233.15344	0.3
234.07562	0.9
237.07578	0.5
239.17978	0.5
241.19412	0.3
243.08643	1.6
243.21117	0.4
245.15358	4.8
246.07605	0.5
247.16850	0.3
248.09172	3.2
252.08707	1.3
253.19418	0.7
255.08617	1.0
255.21062	0.3
259.08246	0.3
259.16931	0.4
261.09723	0.8
263.16324	1.3
264.08652	1.9
266.10190	4.2
267.20978	0.6
270.09714	7.2
273.09723	1.1
273.18591	0.4
279.10748	1.4
281.17569	0.3
282.09793	1.3
283.24094	0.2
284.11234	4.5
285.18237	0.2
291.10574	0.3
294.11807	0.4
297.18262	0.2
299.19931	0.4
300.10770	5.6
301.21509	0.2
309.11758	0.7
326.12036	0.4
342.12039	0.2
380.13171	0.6
389.31830	0.6
391.33606	0.5
393.27817	0.2
398.14395	3.9
407.33044	2.0
409.34494	0.6
416.15448	3.7
417.30804	0.3
423.32367	0.3
425.34082	2.0
426.15970	0.4
428.15378	0.3
435.32559	5.5
436.32538	0.2
446.16415	0.8
453.33606	12.0
454.34149	0.5
471.34735	1.8
521.21967	0.2
535.37561	0.4
608.73663	0.2
966.17383	0.2
1048.46655	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	1048.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02914	10.5
75.04465	1.4
77.15137	0.2
79.05486	1.5
80.50510	0.2
81.03414	1.2
81.07058	2.4
83.04479	0.4
83.04977	7.8
83.08640	0.5
84.04507	0.5
84.08129	0.4
85.02901	25.7
87.04465	1.0
91.05470	2.2
92.05002	8.6
93.07037	2.9
95.04969	1.4
95.08598	3.5
95.09167	0.3
97.02886	17.5
97.06551	0.4
99.04442	1.4
101.06017	0.3
103.03941	0.7
105.07016	2.3
106.06563	0.3
107.04948	0.5
107.08583	3.7
109.02875	1.0
109.06525	0.5
109.10134	1.9
110.06057	0.4
111.04432	5.6
113.02363	0.7
113.06013	0.8
115.03924	9.0
115.05523	0.3
117.05517	0.3
117.07004	1.0
118.06538	0.2
119.08582	4.1
120.04458	100.0
121.04829	0.8
121.10139	2.6
122.06077	0.2
123.04433	0.4
123.11691	0.8
125.05998	0.3
125.09566	0.2
126.05515	0.4
127.03896	2.7
128.06203	0.3
129.05479	7.2
129.07001	0.6
130.06593	0.2
131.08563	2.9
132.04431	4.2
133.04962	2.0
133.06493	0.5
133.10124	2.7
134.06013	3.9
135.04375	0.4
135.11693	2.3
136.06184	0.2
137.05960	0.5
137.13258	0.4
138.05493	60.4
139.03908	0.8
139.05830	0.3
141.05443	0.4
143.03377	0.2
143.08546	1.5
144.04417	0.7
144.06590	0.4
145.04948	1.2
145.06323	0.2
145.10107	4.0
145.11174	0.1
146.06026	0.4
146.09583	0.2
147.06520	4.0
147.08009	0.4
147.11690	1.6
148.03918	0.8
149.05956	0.2
149.09578	0.3
149.13264	0.9
150.05493	2.3
151.07541	0.4
155.08524	0.4
156.09322	0.3
157.04974	0.8
157.10139	2.6
159.06731	0.2
159.08041	0.4
159.11682	3.2
161.13266	1.4
162.05507	4.5
162.07579	2.3
163.06009	0.3
163.07671	0.2
163.14819	1.0
165.05482	0.3
165.07649	0.4
165.09058	0.3
167.06990	0.3
169.04926	1.0
169.10159	0.5
170.05946	0.9
170.10915	0.5
171.06488	0.8
171.07944	0.3
171.11667	1.0
173.13269	1.7
174.05490	1.3
175.06151	0.3
175.07542	0.3
175.11220	0.2
175.14848	0.9
177.05443	0.3
177.16374	0.4
179.07033	0.4
179.14351	0.3
180.06546	5.2
183.06573	0.6
183.11652	0.7
184.07567	0.7
184.12372	0.2
185.09653	0.4
185.13252	3.0
186.05484	1.1
187.05971	0.4
187.14803	3.0
189.09076	0.4
189.16383	2.6
191.17957	4.5
197.13324	0.6
198.05499	2.4
199.14807	3.6
200.07108	0.3
201.12700	0.6
201.16380	4.1
203.02444	0.2
203.10585	0.3
203.14275	0.4
203.17894	1.1
204.06552	1.4
204.08554	0.4
207.06554	0.4
207.17441	1.3
209.13214	0.3
211.14827	0.4
212.07059	2.2
213.07567	0.4
213.12733	0.3
213.16425	0.6
215.14200	0.3
215.17940	0.7
216.06538	1.5
217.12135	0.2
217.15921	0.6
217.19458	0.3
219.13850	0.3
225.07570	4.3
225.16399	0.3
227.14287	0.5
227.17947	0.7
228.06500	0.6
229.07069	0.2
229.12209	0.4
229.19481	0.4
230.08125	3.4
231.13805	0.7
233.15347	0.4
234.07652	0.7
239.17899	0.5
241.19406	0.4
243.08629	1.8
245.15364	4.8
247.16953	0.3
248.09160	2.8
251.17894	0.2
252.08701	1.5
253.19522	0.6
255.08647	0.9
255.21043	0.6
259.08160	0.3
259.16907	0.4
261.09625	0.7
263.16437	1.1
264.08670	1.9
266.10214	4.8
267.21072	0.4
270.06805	0.3
270.09723	6.3
273.09631	1.3
273.18344	0.3
279.10745	1.5
282.09598	1.3
283.24100	0.3
284.11267	4.7
285.18460	0.5
294.11746	0.7
297.18466	0.4
299.20087	0.2
300.10751	5.2
301.21619	0.3
309.11792	0.7
311.15067	0.2
313.21545	0.3
326.12103	0.4
336.10529	0.3
339.23001	0.2
353.15726	0.2
380.13278	0.5
389.32047	1.0
391.33453	0.7
398.14401	3.5
407.33081	2.5
409.34448	0.8
410.14426	0.3
416.15442	3.6
417.31149	0.3
425.34189	1.9
428.15549	0.2
435.32626	4.7
446.16360	0.6
451.31671	0.4
453.33621	11.9
467.67285	0.2
471.34604	1.7
535.37750	0.2
545.62671	0.2
553.38605	0.3
563.36835	0.3
581.38153	0.4
627.27301	0.2
690.21838	0.2
729.38629	0.2
982.11774	0.2
1048.47778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02917	11.5
75.04472	1.6
77.03944	0.2
79.05493	1.6
81.03411	1.7
81.07054	2.1
83.04977	6.9
83.08617	0.6
84.04494	0.6
84.08150	0.3
84.60480	0.2
85.02901	25.7
85.06534	0.3
86.03235	0.2
86.06037	0.2
87.04463	0.9
91.03934	0.2
91.05482	1.8
92.05001	8.3
93.07040	2.8
94.06577	0.3
95.04971	1.2
95.08598	4.0
96.04493	0.2
97.02889	18.0
97.06554	0.2
97.10194	0.2
98.03219	0.2
98.06030	0.3
99.04446	1.8
101.06003	0.3
101.14588	0.2
101.32785	0.2
103.03942	0.6
103.05462	0.3
104.04990	0.2
105.07021	2.7
106.06518	0.5
107.08587	3.6
109.02881	0.9
109.06509	0.3
109.10156	2.1
110.06054	0.2
111.04443	5.9
111.08085	0.3
113.02360	0.6
113.06012	0.7
114.05565	0.2
115.03926	8.5
115.08627	0.2
117.07018	1.0
118.06533	0.4
119.02512	0.2
119.08577	3.9
119.09442	0.2
120.04461	100.0
121.04801	0.6
121.06540	0.3
121.10126	3.0
122.06042	0.2
123.04424	0.4
123.08109	0.4
123.11662	1.1
125.05995	0.3
126.05492	0.3
127.03907	2.3
128.06209	0.3
129.05478	7.3
129.07002	0.7
130.07884	0.3
131.08574	2.8
132.04445	3.3
133.04965	1.7
133.06526	0.3
133.10130	2.2
134.06006	3.6
134.06972	0.3
135.04437	0.4
135.08052	0.3
135.11690	2.7
137.05991	0.5
137.13274	0.4
138.05496	60.4
139.03900	0.8
139.05843	0.4
142.07761	0.6
143.08557	1.8
144.04433	0.9
144.06544	0.4
145.02815	0.2
145.04942	1.5
145.06514	0.3
145.10120	3.7
146.06013	0.5
147.04468	0.4
147.06523	4.3
147.07820	0.2
147.11673	1.8
148.03944	0.6
149.05977	0.4
149.13249	0.9
150.05525	2.0
151.07520	0.2
155.08528	0.4
156.09453	0.3
157.04961	0.7
157.06363	0.2
157.10121	2.1
158.06059	0.3
159.06674	0.3
159.08018	0.3
159.11687	3.0
160.07570	0.3
161.06023	0.3
161.09657	0.3
161.13272	1.7
162.05537	4.3
162.07610	4.5
163.03935	0.2
163.06033	0.5
163.07678	0.6
163.14833	0.8
165.05516	0.3
165.07565	0.5
167.07060	0.5
169.04962	1.0
169.06174	0.2
169.10146	0.5
170.05978	0.9
170.10931	0.4
171.06517	0.5
171.11656	1.4
173.13290	1.2
174.05484	1.3
175.06183	0.2
175.07579	0.4
175.14844	1.1
177.05475	0.6
177.09177	0.3
177.16382	0.5
179.07014	0.4
179.14322	0.4
180.06548	5.2
181.04970	0.2
183.06493	0.4
183.11693	0.6
184.07582	0.9
185.09592	0.4
185.13234	2.2
186.05527	1.1
187.06007	0.2
187.14821	2.9
188.07016	0.3
189.09128	0.4
189.16385	2.4
191.17949	4.1
193.08679	0.2
195.11531	0.2
197.13293	0.5
198.05476	2.3
199.06039	0.3
199.14819	3.1
201.07571	0.3
201.12724	0.4
201.16389	3.4
203.14241	0.4
203.17957	1.3
204.06541	1.0
204.08510	0.3
207.06520	0.4
207.17412	1.1
211.14850	0.5
212.07050	2.0
213.12904	0.3
213.16341	0.8
215.17990	0.5
216.06540	1.2
217.07129	0.4
217.15800	0.5
217.19408	0.4
219.13759	0.2
223.06033	0.4
223.14790	0.2
225.07573	4.5
225.16393	0.5
227.14346	0.4
227.17973	0.7
228.06523	0.3
229.12253	0.3
229.19493	0.3
230.08102	3.4
231.13858	0.7
234.07675	1.0
237.07654	0.2
239.18024	0.6
241.19463	0.4
243.08682	1.9
245.15372	4.5
246.07602	0.4
248.09206	3.5
251.17873	0.3
252.08740	1.1
253.19487	0.7
255.08578	1.0
255.21101	0.5
257.18903	0.2
259.08276	0.2
259.16779	0.3
261.09592	0.9
263.16376	0.9
264.08722	1.5
266.10233	4.0
267.20963	0.4
268.11667	0.3
270.09711	6.5
273.09692	1.2
273.18518	0.4
279.10733	1.2
282.09741	1.5
284.11264	4.5
285.18475	0.5
287.20026	0.3
294.11880	0.4
299.20016	0.4
300.10764	5.6
309.11774	0.7
311.20157	0.3
313.21490	0.3
325.21735	0.2
326.12375	0.4
342.11444	0.2
380.13272	0.8
389.31897	0.8
391.33539	0.8
398.14441	3.6
407.33084	1.9
409.34583	0.9
416.15500	3.6
425.34058	2.6
428.15228	0.3
435.32565	5.8
436.32755	0.3
440.17285	0.4
446.16440	0.4
451.31830	0.2
453.33627	11.3
454.34058	0.6
471.34766	1.6
535.37885	0.3
599.38788	0.3
1027.56213	0.2
1048.51794	0.4
1049.42297	0.6
1081.16028	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	1048.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02917	10.8
75.04485	1.5
79.05496	1.6
81.03423	1.5
81.07058	2.3
82.06477	0.2
83.04980	7.4
83.08627	0.5
84.04516	1.4
84.08122	1.4
85.02903	26.2
86.09695	0.3
87.04463	1.0
91.03938	0.4
91.05480	2.1
92.05005	9.2
93.07035	3.1
95.04948	1.5
95.08602	3.7
97.02889	18.3
97.06516	0.4
97.10147	0.2
98.03225	0.3
98.06069	0.3
99.04463	1.6
101.02390	0.3
101.06010	0.4
103.03938	0.6
103.05492	0.3
104.04996	0.2
105.00105	0.2
105.03396	0.3
105.07023	2.8
106.06542	0.6
107.04966	0.4
107.08593	4.0
109.02886	0.8
109.06491	0.5
109.10146	1.9
111.04439	5.7
111.08083	0.3
113.02370	0.6
113.05978	0.6
115.03926	10.1
117.05534	0.4
117.07025	1.0
118.06493	0.3
119.08582	3.9
120.04462	100.0
121.04797	1.1
121.06477	0.4
121.10136	3.0
123.04440	0.3
123.11678	1.2
125.05988	0.2
126.05503	0.6
127.03915	2.0
127.05732	0.2
128.06235	0.3
129.05476	7.5
129.06992	0.7
129.10269	0.4
130.07793	0.2
131.05002	0.3
131.08560	3.1
132.04446	4.0
133.04962	2.2
133.06453	0.4
133.10139	2.6
134.06006	3.5
135.11694	1.9
136.07591	0.7
137.05986	0.4
137.13229	0.6
138.05499	60.9
139.03877	0.6
139.05869	0.4
142.07806	0.6
143.08578	1.5
144.04472	0.8
144.06596	0.2
144.09428	0.2
145.04962	1.2
145.06487	0.3
145.10126	3.5
146.06039	0.6
147.04445	0.3
147.06516	4.1
147.08055	0.6
147.11678	1.6
148.03926	1.0
149.05994	0.5
149.09607	0.3
149.13229	0.9
150.05476	1.7
151.07532	0.3
155.08557	0.5
156.07901	0.2
156.09273	0.3
157.04941	0.5
157.10127	2.3
159.06601	0.4
159.08023	0.3
159.11681	3.0
161.05943	0.5
161.13249	1.7
162.05513	4.8
162.07607	3.1
163.06020	0.6
163.07600	0.6
163.14809	0.9
167.06975	0.3
169.04967	0.9
169.10077	0.8
170.06032	1.0
170.10922	0.6
171.06563	0.4
171.11679	1.0
173.13266	1.5
174.05501	1.3
175.06055	0.3
175.07433	0.4
175.11176	0.2
175.14809	0.9
177.09142	0.3
177.16408	0.4
179.07053	0.4
179.14388	0.3
180.06561	6.0
181.04909	0.4
183.06558	0.6
183.11691	0.4
184.07571	0.7
185.09714	0.3
185.13254	2.4
186.05492	1.1
187.06007	0.5
187.14832	2.9
189.08974	0.3
189.16364	2.3
191.17950	4.2
195.11708	0.3
197.13249	0.7
198.05478	2.0
199.06104	0.3
199.14810	3.4
200.07042	0.3
201.07556	0.3
201.12651	0.5
201.16386	3.7
203.14288	0.4
203.17949	1.3
204.06570	1.2
204.08719	0.7
207.06499	0.2
207.17368	1.1
211.14809	0.5
212.07074	1.8
213.16382	0.8
215.18089	0.3
216.06558	1.1
217.15854	0.8
217.19490	0.5
219.13882	0.4
222.07654	0.3
223.06122	0.3
223.14775	0.3
225.07559	4.7
225.16385	0.5
227.14281	0.6
227.17940	0.8
229.12286	0.3
229.19437	0.4
230.08101	3.6
231.08586	0.3
231.13803	0.8
233.15257	0.2
234.07620	0.8
237.07616	0.5
239.18047	0.7
241.19438	0.5
243.08568	1.7
245.15355	4.5
246.07475	0.4
247.16911	0.3
248.09206	3.5
252.08684	1.2
253.19548	0.7
255.08626	0.8
255.21040	0.4
259.16730	0.2
261.09616	1.0
263.16376	0.8
264.08685	1.6
266.10214	4.8
267.21097	0.6
269.22775	0.3
270.09711	6.8
273.09711	1.4
273.18475	0.4
279.10757	1.3
282.09729	1.3
284.08401	0.3
284.11295	4.0
285.18442	0.2
291.10757	0.3
294.11758	0.6
299.20016	0.5
300.10779	6.1
301.21588	0.3
309.11801	0.6
311.19965	0.2
313.21872	0.4
326.12299	0.5
380.13269	0.7
389.31897	0.7
391.33517	0.9
398.14444	3.9
407.33200	2.3
409.34695	0.9
416.15494	3.8
423.32053	0.3
425.34314	1.9
426.15823	0.5
428.15604	0.4
428.74747	0.3
435.32590	5.9
436.32965	0.4
446.16476	0.5
451.31760	0.3
453.33633	11.6
454.33658	0.4
471.34702	1.8
535.37714	0.5
581.37744	0.3
583.67096	0.2
594.15881	0.2
682.75299	0.2
844.37256	0.2
845.37750	0.4
1048.45911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96523	0.2
58.06598	7.6
59.07379	2.7
60.08162	71.6
61.08498	0.5
65.41319	0.3
69.03429	1.0
69.48335	2.0
71.20081	0.3
86.06074	0.5
87.04479	1.4
93.59184	0.3
104.10741	100.0
105.11077	0.8
120.04079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
58.06599	12.9
59.07375	2.5
59.44739	0.3
60.08163	76.0
61.08496	0.5
62.92983	0.5
64.01894	0.8
70.16752	0.5
70.17145	0.7
75.85948	0.3
76.11314	0.3
78.04717	1.0
78.48482	0.3
79.05494	0.6
79.84897	0.3
86.09721	0.3
95.04977	1.3
103.05445	1.5
104.10741	100.0
105.04539	0.5
105.07030	1.3
105.11080	1.6
113.75758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02909	0.4
79.05492	3.3
81.03404	2.4
81.07050	6.6
83.04988	0.5
83.08617	3.2
84.04483	0.3
85.02905	2.7
85.06553	0.4
85.10176	3.7
89.06016	0.6
91.03941	1.6
91.05473	5.2
93.03411	1.0
93.07057	2.3
93.67309	0.4
95.01326	2.3
95.04980	2.4
95.08611	6.2
96.04519	0.3
97.02890	1.4
97.06536	0.4
97.10172	1.4
103.05472	0.7
103.07589	0.5
105.03400	0.6
105.07006	2.4
107.04960	1.9
107.08593	1.1
109.02879	1.2
109.06483	0.5
109.10150	2.3
111.00793	0.3
111.04455	0.5
111.08067	0.6
115.05450	1.0
117.07016	2.8
119.04938	1.3
119.08574	2.1
121.02847	0.6
121.06510	1.3
121.10136	0.9
123.04408	1.1
123.08053	0.4
123.11719	0.8
125.02360	1.1
127.03950	0.8
128.06224	0.6
129.06990	2.1
130.04968	0.4
131.04918	1.2
131.08568	2.3
133.06479	1.6
133.10156	0.9
135.04436	1.7
135.08112	0.8
137.09586	0.6
137.13263	0.4
139.03857	0.7
141.06987	1.6
143.08582	1.4
145.06461	2.1
145.10132	1.5
147.04414	2.1
147.07970	1.3
147.11697	0.5
149.02335	1.5
149.05980	0.8
149.09648	0.5
151.03915	1.3
153.06964	0.8
155.08566	1.6
157.06503	1.3
157.10135	1.4
159.04405	1.2
159.11710	1.1
161.02318	0.5
161.05988	2.1
161.09627	1.0
163.03885	1.4
163.11227	0.5
165.01825	0.7
165.05487	1.3
165.06987	1.0
167.03407	0.8
167.08530	1.0
168.09346	0.5
169.06413	0.7
169.10172	1.2
171.04413	0.6
171.08032	0.9
171.11699	0.9
173.05943	2.1
173.09673	1.0
175.03896	1.8
175.07668	0.5
175.11198	0.8
177.05475	1.0
177.12743	0.6
179.03416	0.6
179.08513	0.5
181.04936	0.5
181.06474	0.5
181.10158	0.9
183.08052	0.5
183.11737	0.8
184.51848	0.4
185.05962	0.8
185.09668	1.2
187.02458	0.4
187.03893	0.7
187.11160	1.1
189.05473	2.4
189.12733	0.6
191.03415	0.8
193.04956	0.6
195.08089	0.8
195.11751	0.9
196.08852	0.3
197.09621	1.0
199.03935	0.9
199.07561	0.6
199.11195	0.7
201.05460	0.9
201.09210	0.5
203.03345	0.5
203.06900	0.5
203.10583	0.5
205.04829	0.8
205.12273	0.5
209.09631	0.8
211.11293	0.7
213.05472	0.8
213.09167	0.7
213.12744	1.5
215.10677	1.0
217.04958	1.4
221.04446	4.9
223.05943	0.4
223.11206	1.3
225.09116	1.6
225.12743	0.5
227.10628	1.9
229.12257	0.5
231.10141	0.6
231.13814	0.8
233.09592	0.5
233.11723	3.6
235.06018	1.3
237.03920	0.4
237.09174	0.5
239.23746	0.7
241.08629	0.7
241.12285	3.1
243.10149	1.2
243.13799	0.4
245.11681	0.9
250.14346	0.4
251.10596	1.8
253.12331	0.4
255.10188	1.0
257.11783	0.4
257.24829	0.6
259.09769	0.6
259.13297	2.1
261.11270	0.8
267.15973	0.6
269.11722	3.4
271.13199	0.6
277.10669	2.0
279.10141	1.4
285.11194	0.3
287.12750	5.4
289.10797	0.5
297.11267	2.9
303.12241	0.9
305.13779	2.4
313.27365	37.7
314.27695	0.4
315.12259	7.8
333.13312	27.0
351.14319	2.7
389.15967	0.7
407.17050	4.2
425.18057	100.0
426.18448	1.5
443.19415	0.4
634.45367	0.4
645.39679	4.3
663.40997	20.5
681.42029	3.0
980.10217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02877	0.6
76.02225	50.4
76.03980	1.7
79.05489	17.0
80.05009	0.8
81.03414	29.3
81.06580	1.1
81.07056	18.9
83.04972	2.2
83.06074	0.8
83.08614	5.8
84.04502	13.2
85.02904	2.8
85.04029	1.7
85.06503	0.8
86.09698	1.1
86.99037	2.6
88.02216	0.8
91.03925	0.7
91.05482	15.2
92.01714	0.5
93.07034	16.2
95.04956	11.6
95.08603	13.8
97.02888	2.0
97.06506	1.6
97.10153	1.7
102.05544	0.6
105.04523	0.6
105.07025	11.0
107.04948	2.5
107.08595	9.4
109.06484	2.6
109.10154	6.2
111.08066	2.3
112.03998	0.8
114.03703	0.6
115.05428	1.3
116.01671	15.3
116.02490	0.9
117.06992	3.5
119.08570	8.7
121.06487	1.0
121.10138	7.5
123.04424	1.1
123.08099	0.8
123.11739	2.3
125.09614	0.8
129.07031	3.8
130.04997	10.3
131.04515	1.1
131.08560	7.3
133.06487	1.0
133.10126	5.7
135.08060	1.0
135.11697	4.6
136.06221	0.6
137.09584	1.4
137.13231	0.7
142.03197	7.2
142.07724	0.9
143.08546	1.2
144.01129	10.5
145.06116	1.4
145.10124	3.7
147.07884	1.2
147.11676	3.9
149.09618	2.2
149.13290	2.5
155.08575	0.7
157.06384	0.7
157.10120	4.3
159.11668	3.0
160.00664	0.6
161.13251	2.2
162.02197	27.7
163.11183	1.4
163.14792	0.9
165.12820	0.8
169.10178	0.6
170.02699	2.7
171.11652	0.8
173.13278	2.0
175.11177	3.8
175.14836	0.6
177.03282	3.6
177.12746	0.7
177.16351	0.6
179.04846	54.8
183.11603	0.7
184.07304	0.9
185.13272	0.5
187.05374	1.5
187.14816	1.1
193.12251	7.4
195.11720	0.5
201.16403	0.5
211.13228	0.7
215.04805	1.7
227.12769	1.0
231.04320	0.8
233.05890	15.7
243.21033	1.7
245.05943	3.4
249.14885	1.0
250.12692	0.6
261.22189	6.1
267.15903	26.6
268.16354	0.8
275.20145	0.7
290.07999	1.1
291.06427	1.6
291.19424	1.3
301.25296	0.9
308.09088	100.0
309.09174	1.2
309.16934	0.9
317.24716	0.7
335.25775	25.4
349.23859	0.6
435.32635	1.2
453.33670	2.4
470.14276	0.8
471.34708	1.2
527.37299	14.9
528.37097	0.6
545.38416	7.3
547.26581	0.5
656.41010	0.5
669.18903	0.7
705.41626	1.2
834.45190	1.3
852.45813	2.1
954.77362	0.5
1044.62988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.4
51.02372	4.1
52.59183	0.3
53.03946	24.5
54.04287	0.4
55.01866	1.7
56.05039	1.0
56.96556	1.0
57.03423	0.8
57.05369	0.9
58.06596	3.3
59.06128	2.6
60.02135	0.9
60.04521	0.6
60.08160	2.6
60.95867	0.9
62.06090	1.5
62.98729	0.3
69.03430	0.6
71.57983	0.3
71.58421	0.6
75.04479	0.3
75.05605	0.6
77.03928	5.0
79.70771	0.3
81.03419	2.2
85.07690	0.5
86.06072	1.1
87.04462	0.6
88.01601	0.7
91.97840	0.3
95.04966	57.7
96.05335	1.0
102.04694	5.4
103.05466	100.0
103.08685	3.0
104.05795	2.1
104.10728	3.7
105.04507	10.8
108.02077	0.4
111.04243	0.3
114.05050	0.3
118.06562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5491
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01340	0.4
71.05002	0.5
73.02927	2.3
79.05494	2.7
81.03425	1.7
81.07048	3.1
83.04983	0.8
83.08620	0.8
85.02902	3.2
85.06567	0.3
91.03947	1.9
91.05484	2.9
93.07034	2.0
95.04985	1.0
95.08616	1.6
97.02882	3.9
97.06535	0.7
97.10224	0.4
98.20841	0.5
99.04443	0.7
101.02403	1.1
105.07028	1.5
107.04961	0.5
107.08580	1.5
109.02895	0.6
109.10196	0.8
115.03966	0.3
117.07050	0.7
119.08594	1.4
121.10143	0.7
123.08050	0.4
127.03944	1.2
127.26412	0.3
131.08560	0.7
133.10141	0.7
135.08086	0.3
135.11740	0.7
136.06186	10.3
137.06581	0.9
137.56303	0.3
145.10144	0.5
147.11761	0.5
149.09601	0.5
152.05728	0.9
153.04131	0.3
159.11708	0.5
184.07372	0.4
185.04260	1.0
189.11325	0.3
194.11243	0.2
201.03830	0.4
203.05388	0.6
203.74396	0.3
243.08417	2.6
259.07910	0.3
325.98428	0.3
333.20416	1.6
334.44916	0.3
335.25656	0.4
335.97046	0.3
347.09583	1.8
363.09271	0.4
365.10846	1.0
389.23273	0.7
391.30093	0.3
405.13672	4.9
439.19092	1.4
453.20935	2.0
469.20490	0.5
551.28290	5.7
551.35962	0.3
601.24506	0.8
615.26544	0.5
631.25549	0.3
666.81042	0.3
681.44269	0.5
698.45367	0.4
699.45490	0.9
713.33582	7.0
714.33704	0.4
853.67566	0.3
858.37073	0.3
861.50446	1.2
912.21185	0.3
925.48425	0.6
1023.54987	100.0
1024.54822	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.6
51.02382	5.6
53.00293	0.7
53.03947	33.3
55.01858	2.1
56.05038	1.1
57.03397	0.7
57.05360	1.2
58.06585	2.2
59.06110	1.9
60.02135	2.7
60.04507	1.2
60.08152	2.5
60.95847	0.8
62.06092	3.7
63.28140	0.6
71.02367	1.6
77.03923	9.3
81.03417	3.0
86.06059	2.3
87.04494	1.1
88.01600	2.5
95.04965	76.6
96.05292	0.8
102.04688	7.2
103.03973	2.6
103.05465	100.0
103.08693	5.6
104.05777	2.5
104.10746	3.4
105.04501	13.9
111.26366	0.6
114.28409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5491
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01340	0.4
71.05002	0.5
73.02927	2.3
79.05494	2.7
81.03425	1.7
81.07048	3.1
83.04983	0.8
83.08620	0.8
85.02902	3.2
85.06567	0.3
91.03947	1.9
91.05484	2.9
93.07034	2.0
95.04985	1.0
95.08616	1.6
97.02882	3.9
97.06535	0.7
97.10224	0.4
98.20841	0.5
99.04443	0.7
101.02403	1.1
105.07028	1.5
107.04961	0.5
107.08580	1.5
109.02895	0.6
109.10196	0.8
115.03966	0.3
117.07050	0.7
119.08594	1.4
121.10143	0.7
123.08050	0.4
127.03944	1.2
127.26412	0.3
131.08560	0.7
133.10141	0.7
135.08086	0.3
135.11740	0.7
136.06186	10.3
137.06581	0.9
137.56303	0.3
145.10144	0.5
147.11761	0.5
149.09601	0.5
152.05728	0.9
153.04131	0.3
159.11708	0.5
184.07372	0.4
185.04260	1.0
189.11325	0.3
194.11243	0.2
201.03830	0.4
203.05388	0.6
203.74396	0.3
243.08417	2.6
259.07910	0.3
325.98428	0.3
333.20416	1.6
334.44916	0.3
335.25656	0.4
335.97046	0.3
347.09583	1.8
363.09271	0.4
365.10846	1.0
389.23273	0.7
391.30093	0.3
405.13672	4.9
439.19092	1.4
453.20935	2.0
469.20490	0.5
551.28290	5.7
551.35962	0.3
601.24506	0.8
615.26544	0.5
631.25549	0.3
666.81042	0.3
681.44269	0.5
698.45367	0.4
699.45490	0.9
713.33582	7.0
714.33704	0.4
853.67566	0.3
858.37073	0.3
861.50446	1.2
912.21185	0.3
925.48425	0.6
1023.54987	100.0
1024.54822	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	1022.5549
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04984	0.1
73.02908	0.5
79.05492	2.4
81.03417	3.8
81.07050	2.9
82.04709	0.1
83.04981	0.3
83.08616	1.1
85.02898	1.5
86.09708	0.3
91.03944	0.7
91.05485	2.0
92.02504	0.2
93.07044	2.0
95.04978	1.8
95.08040	0.2
95.08604	1.9
97.02889	1.6
97.10191	0.2
98.21526	0.2
99.04450	0.3
105.07033	1.2
107.04928	0.4
107.08596	1.2
109.05113	0.2
109.06503	0.2
109.10184	0.7
111.04423	0.1
111.08057	0.2
115.03922	0.1
115.05393	0.1
117.07009	0.5
119.03548	1.3
119.08583	1.2
121.06514	0.2
121.10136	1.2
123.07955	0.2
123.11679	0.3
125.09655	0.1
127.03846	0.2
129.07013	0.6
131.08557	0.8
133.06511	0.2
133.10147	0.7
135.11720	0.6
136.06184	100.0
137.04597	2.1
137.06607	0.5
145.05006	0.2
145.10129	0.3
147.08105	0.2
147.11702	0.5
149.09631	0.2
149.13240	0.3
152.05664	0.7
157.10085	0.6
159.09291	0.1
159.11694	0.2
161.13315	0.2
163.06062	0.2
163.14848	0.2
165.12761	0.2
173.13257	0.2
175.11205	0.5
178.07231	0.4
184.07359	0.5
185.13184	0.2
193.12253	1.4
230.73701	0.1
243.21143	0.3
261.22122	0.9
267.15906	4.6
297.95172	0.1
298.11411	0.6
319.10916	0.1
335.25821	3.9
346.18823	0.2
453.33569	0.2
471.34726	0.2
527.37323	2.1
527.44421	0.1
545.38403	1.4
680.43945	1.2
698.44836	3.6
777.05450	0.2
842.49030	1.7
860.50250	2.2
861.49268	0.2
1004.54401	1.1
1022.55182	1.0
1023.54865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04998	6.8
73.02932	1.7
77.03940	1.9
79.05490	81.5
81.03418	17.8
81.07053	96.4
82.07398	1.9
83.04982	15.0
83.08615	24.8
84.04527	1.7
85.02894	13.9
85.06541	5.1
86.09714	1.9
89.34978	1.6
91.03965	2.2
91.05478	77.4
93.07039	77.9
95.04971	26.2
95.08603	48.5
97.02876	10.6
97.06522	26.8
97.10167	23.8
98.20760	2.2
99.04448	3.2
99.08086	2.4
103.05485	2.8
105.04464	2.2
105.07024	67.7
107.04967	13.8
107.08589	65.5
109.02889	5.1
109.06511	13.7
109.10151	29.7
111.04472	1.9
111.08066	9.2
115.05465	3.8
117.07008	30.3
117.19423	1.2
119.04958	1.5
119.08579	44.8
121.06528	9.2
121.10146	25.0
123.04482	2.3
123.08023	7.0
123.11690	6.4
123.12457	1.5
125.09633	22.3
127.03906	8.6
128.06210	3.9
129.06996	15.9
130.07822	2.0
131.04921	2.3
131.08565	36.5
133.06485	3.9
133.10129	41.0
135.08044	10.6
135.11682	21.4
137.09621	5.3
141.07007	6.3
142.07768	2.7
143.08562	9.7
144.09326	2.1
145.04953	2.7
145.06491	5.4
145.10121	33.3
147.08076	5.4
147.11694	22.6
149.09610	23.0
149.10724	1.7
149.13252	12.2
151.11169	5.1
153.07056	3.1
153.09091	2.2
153.93369	1.4
155.08577	8.9
157.10103	13.8
159.08034	2.9
159.11694	28.1
161.09618	4.1
161.13281	7.1
163.11186	19.6
163.14839	1.7
165.06975	1.5
165.12737	3.1
167.08443	1.6
168.09273	1.7
169.10170	8.4
171.10332	3.1
171.11720	9.8
173.04436	2.6
173.09656	2.0
173.11880	2.5
173.13258	14.0
175.11201	3.8
175.14769	1.5
177.12756	5.6
179.14288	6.5
181.10066	3.5
181.12224	3.0
183.11674	8.1
184.07341	3.3
185.09612	2.0
185.13293	6.1
187.11153	3.5
187.14839	3.3
189.11209	15.6
189.12744	2.8
189.16277	1.5
191.10698	1.5
191.14310	1.6
195.11823	2.5
195.13817	7.1
197.13269	6.0
199.14795	3.4
201.12761	2.2
203.14319	2.9
205.12218	2.3
207.11879	1.9
209.13246	2.7
211.11108	1.7
211.14908	4.1
217.15932	2.1
219.17331	2.0
221.15175	1.9
223.13042	1.7
227.12755	40.2
229.14325	4.9
229.19533	5.5
231.17538	1.8
233.15370	2.5
239.17943	10.4
243.15521	1.5
245.13895	3.9
247.20616	5.8
253.14371	2.5
253.18034	2.3
255.15892	15.7
257.19025	23.2
259.20538	2.3
267.15894	4.0
269.17456	35.3
273.18579	3.5
275.20053	100.0
291.19550	3.7
293.21106	8.3
293.97498	1.8
301.21500	2.1
309.49881	1.4
321.24258	3.1
323.23599	1.5
331.22736	7.4
333.24213	2.4
347.22058	1.9
349.23712	83.9
367.24777	11.9
389.18137	2.0
423.27548	2.9
423.60483	1.5
425.25458	1.7
431.28027	2.8
447.31143	2.7
449.28958	11.5
451.31842	3.1
463.30502	15.0
469.32986	2.0
503.33569	4.5
511.34799	2.1
519.33087	6.3
525.35754	6.1
527.37439	5.7
527.86212	1.7
529.35309	13.6
543.36823	62.7
544.37097	1.7
547.36420	2.2
561.37708	6.1
565.38293	1.7
583.39880	3.3
605.41980	3.2
607.34357	1.9
623.33319	2.5
623.43042	40.6
641.43921	14.9
659.45013	3.6
687.40674	3.1
705.41095	2.2
961.83148	1.6
1018.53558	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5947
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	1.9
71.04996	8.5
73.02901	1.3
73.70066	1.3
77.03928	2.0
79.05495	88.1
81.03422	19.0
81.07057	100.0
83.04983	16.7
83.08616	18.8
85.02905	12.0
85.06532	4.4
86.09685	1.6
91.03951	2.9
91.05482	76.2
93.07048	76.9
95.04967	21.0
95.08605	44.5
97.02879	9.6
97.06535	23.1
97.10172	26.4
98.21574	2.0
99.04467	3.6
99.08082	4.1
100.30571	2.3
103.05465	3.1
105.04548	2.3
105.07030	71.4
107.04966	19.1
107.08595	67.0
109.02863	4.6
109.06514	11.7
109.10153	25.2
111.04430	3.0
111.08063	7.4
113.06001	2.0
115.05467	6.3
117.07018	29.6
119.04974	2.0
119.08584	43.7
121.06508	6.9
121.10151	22.1
123.04404	2.0
123.08069	5.0
123.11745	7.0
125.09637	20.9
127.03918	8.2
128.06218	3.7
129.05501	2.2
129.06985	12.5
130.07794	2.5
131.08575	33.1
133.06514	3.2
133.10126	37.8
135.08066	14.4
135.11674	19.5
137.09587	4.7
139.07600	1.6
141.06984	5.6
142.07736	2.5
143.08569	10.9
145.06531	3.3
145.10129	33.4
147.08011	3.6
147.11679	19.3
149.09630	23.3
149.13258	16.2
151.11208	5.3
153.09079	2.5
155.08566	7.4
156.09277	1.9
157.10187	11.5
159.11678	22.1
161.09589	4.1
161.13261	7.4
163.11212	15.1
165.09137	1.6
165.12740	2.4
167.08585	3.0
168.09373	2.0
169.10081	7.2
171.10324	1.8
171.11641	7.7
173.04482	5.1
173.09572	2.4
173.11850	3.0
173.13252	10.3
175.11111	3.1
177.12721	8.3
179.14256	4.7
181.10110	2.2
183.11726	7.4
184.07343	3.0
185.13203	4.2
187.11133	2.8
187.14845	2.1
189.11238	15.5
189.12756	3.0
189.16472	2.1
193.10355	1.8
195.11899	2.5
195.13837	7.2
197.13263	5.2
199.14914	3.0
201.12715	2.3
203.14299	1.6
205.12212	3.0
209.13388	1.6
211.14745	1.8
213.16394	1.9
215.14334	2.0
227.12770	31.5
229.14381	5.9
229.19533	3.5
233.15298	2.7
239.18015	3.7
245.13705	1.5
247.20575	3.0
253.14311	1.7
253.17987	3.0
255.15805	10.8
257.19037	18.7
263.44446	1.6
267.15878	4.5
269.17477	32.0
273.18518	2.8
275.20074	85.7
276.20468	2.0
291.19861	2.0
293.21094	5.6
313.21423	2.4
331.22720	10.2
339.18143	1.6
349.23755	73.5
363.57883	1.6
367.24780	6.2
413.21478	2.9
423.27402	4.8
431.27991	2.5
445.29639	1.8
449.28961	8.9
451.31970	2.4
463.30484	16.1
469.33481	2.2
503.33557	4.5
511.34567	2.5
515.37524	2.6
519.33087	4.4
525.35919	4.6
527.37244	3.7
529.35297	14.8
543.36829	53.4
547.36298	2.7
561.37579	7.0
605.41675	2.8
607.34723	4.2
623.33380	2.1
623.43097	32.7
641.44043	12.4
663.37488	2.5
687.40533	2.6
785.48621	2.0
817.51196	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5942
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39610	1.2
71.01347	1.7
71.04976	5.2
71.08629	1.4
73.02898	2.1
79.05494	65.6
81.03416	18.6
81.07056	100.0
83.04974	14.9
83.08617	21.8
85.02906	11.4
85.06535	5.9
86.09708	2.6
91.03960	3.1
91.05479	63.1
93.07040	68.1
95.04964	20.0
95.08605	42.0
95.44131	1.2
97.02876	8.0
97.06537	19.9
97.10175	16.4
98.20757	2.7
99.04448	3.7
99.08095	4.7
103.03886	1.7
103.05461	2.5
105.04543	1.9
105.07030	51.4
107.04968	12.9
107.08595	52.3
109.02899	4.5
109.06519	10.9
109.10155	18.3
111.04443	3.5
111.08064	8.3
113.06036	1.3
115.05473	4.1
117.07019	22.8
119.08580	38.3
121.06498	9.6
121.09324	1.8
121.10154	23.8
123.04420	1.7
123.08085	6.6
123.11689	6.7
125.09622	14.5
127.03909	6.0
127.07531	1.3
128.06209	2.2
129.05487	2.9
129.07010	9.3
130.07774	1.7
131.04941	1.7
131.08565	27.7
133.06490	3.4
133.09108	1.7
133.10129	31.8
135.08087	8.0
135.11699	21.1
137.05966	1.5
137.09604	3.5
137.13222	1.7
139.11194	2.0
141.07001	4.5
142.07727	2.0
143.08580	10.1
144.09332	2.0
145.06464	2.3
145.10120	29.5
147.08034	3.5
147.11697	19.7
149.09634	20.0
149.13246	15.2
151.11198	5.2
153.09132	1.5
155.08557	4.3
157.10126	9.9
159.08029	1.9
159.11685	22.4
161.09630	4.0
161.13246	6.5
163.11165	15.4
165.12724	3.3
169.10135	7.6
171.10344	2.3
171.11684	9.9
173.04501	5.3
173.09578	1.7
173.13179	8.5
175.11197	4.5
177.12738	7.2
179.08473	1.6
179.14336	4.7
181.10213	1.5
181.12273	2.4
183.11708	4.9
184.07320	4.5
185.13268	5.1
187.11208	2.5
187.14825	2.9
189.11223	11.0
189.12822	3.3
191.14296	1.5
193.12312	1.5
195.11858	2.8
195.13811	9.4
197.13260	4.3
201.16518	1.8
205.12231	1.6
207.13757	1.8
211.11304	1.4
211.14845	2.7
215.14371	1.9
215.17949	1.5
217.15854	1.3
219.13913	1.8
223.13191	1.9
227.12769	20.2
229.14375	3.0
229.19505	3.7
239.17879	5.9
243.13963	1.4
245.13837	2.7
247.20621	4.4
251.16393	2.5
253.18001	2.8
255.15797	13.0
257.19016	15.5
267.15961	5.2
269.17450	52.0
273.18600	2.0
275.20065	67.5
291.19418	1.8
293.21106	8.0
301.21219	1.2
321.24170	3.1
331.22629	4.1
349.23712	59.3
365.23401	1.6
367.24777	13.3
395.20746	1.7
409.25455	1.8
413.21759	2.8
419.24313	1.9
423.27359	4.8
433.30966	3.4
435.27100	1.6
439.26895	3.2
445.29272	2.5
447.31326	2.4
449.28925	19.6
451.31900	2.1
463.24152	2.0
463.30582	37.4
493.27524	1.7
503.33676	2.7
515.37476	2.5
519.32635	3.0
525.35785	8.2
529.35120	11.5
543.36792	83.2
544.37238	1.5
547.36407	1.9
561.37671	8.5
607.34558	5.6
623.42987	15.5
641.44098	13.4
659.44592	5.5
687.40857	3.4
691.40668	1.8
1018.55548	2.0
1019.51837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05014	4.2
73.02911	1.5
77.03924	1.5
79.05489	51.5
81.02984	1.4
81.03419	17.2
81.07054	64.4
83.04977	11.1
83.08617	16.0
85.02904	6.7
85.06539	3.9
91.03958	1.8
91.05476	52.8
93.07039	49.3
94.07402	1.0
95.01310	0.9
95.04970	17.7
95.08601	28.8
97.02882	11.9
97.06522	13.3
97.10167	16.9
99.04457	2.0
99.08047	2.4
102.36792	0.7
103.05482	1.7
105.04545	1.1
105.07026	39.7
107.04944	14.5
107.08592	37.1
108.08882	1.6
109.02856	2.4
109.03572	0.8
109.06509	8.5
109.10151	19.6
111.04442	2.5
111.08086	5.6
113.05984	1.1
113.09646	0.7
115.05453	2.7
117.07009	16.5
118.61200	0.7
119.04935	1.6
119.08578	25.0
120.08881	0.9
121.06503	7.0
121.10136	15.1
123.04433	2.3
123.08047	6.7
123.11729	5.2
125.09626	12.3
127.03915	3.0
127.07572	0.8
128.06224	2.2
129.05435	1.1
129.07004	8.0
130.07759	0.9
131.04973	0.8
131.08560	19.8
133.06496	4.6
133.10123	29.5
134.10446	1.1
135.08046	8.4
135.11679	10.4
136.06165	0.8
137.05956	1.0
137.09595	3.8
139.07523	0.8
139.11169	1.1
141.06987	2.4
142.07730	1.8
143.08542	8.0
145.06471	2.4
145.10112	17.8
147.08073	6.5
147.11684	9.6
149.09616	11.2
149.13274	8.6
151.11185	7.3
152.05667	23.9
153.04056	2.2
153.09138	1.8
155.08562	2.5
157.10086	6.9
159.08020	3.0
159.11664	12.6
161.09589	4.7
161.13264	5.0
163.07570	0.9
163.11159	7.1
165.09094	3.2
165.12732	1.2
169.10204	3.9
169.12225	2.0
171.10258	1.2
171.11664	3.4
173.04428	1.5
173.09592	1.8
173.11842	1.3
173.13251	3.8
175.11191	4.6
175.14816	1.2
177.12741	4.8
179.14305	2.0
181.12172	1.0
183.11705	2.4
184.07301	1.3
185.09549	1.1
185.13251	2.8
187.11177	2.9
187.13304	1.0
187.14775	1.3
189.08931	0.9
189.11205	5.8
189.12636	1.2
191.10675	1.0
191.14452	0.9
193.12231	3.4
195.11938	1.3
195.13792	5.4
197.13217	1.5
199.11159	1.1
199.14853	0.9
201.12749	1.6
205.12260	2.3
209.13414	1.0
211.14877	1.0
213.16452	1.2
215.12677	1.1
219.13884	0.9
219.17488	0.8
223.13263	16.1
225.12827	1.0
227.12766	14.8
227.17899	1.2
229.14322	1.3
229.19470	1.8
231.13812	1.1
233.15291	0.9
239.17920	3.3
245.19058	3.5
247.20570	2.1
249.14771	3.7
251.16479	1.3
253.14369	15.4
255.15511	4.7
257.18964	6.5
263.20010	2.3
267.15823	4.4
269.14517	1.4
269.17465	24.1
273.18491	21.3
274.18729	1.4
275.20059	25.1
277.55237	0.8
285.16986	1.2
291.19531	100.0
292.19833	3.3
293.17694	0.7
293.21121	2.6
309.20758	2.1
315.23032	1.3
321.24158	1.1
329.20944	0.9
331.22714	1.7
347.22098	5.7
349.23700	18.6
362.18491	0.8
365.23203	43.4
366.23557	1.3
367.24582	2.9
413.21805	1.1
423.23730	1.2
447.27402	1.2
461.28757	3.0
465.28589	2.0
477.28506	2.8
479.30127	1.1
485.32889	0.8
519.33142	3.2
523.33856	0.9
527.33551	2.1
535.32935	1.1
539.32660	0.9
541.35248	7.7
545.34668	17.0
547.37805	1.2
559.36273	81.0
560.36523	4.8
599.38586	1.1
621.41467	3.5
639.42535	24.8
640.43042	1.3
657.43597	5.2
674.43988	0.9
692.45923	6.2
703.40118	2.7
801.47375	0.9
854.51019	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.578
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73187	2.1
70.73519	0.8
71.75580	0.8
73.02923	1.6
79.05488	45.1
79.95406	0.9
81.03413	11.0
81.07051	44.0
83.04979	8.8
83.08619	12.7
85.02905	5.2
85.06560	1.8
91.05476	39.2
93.07041	38.2
93.07632	1.7
95.01360	1.0
95.04965	13.9
95.08601	21.3
97.02882	9.5
97.06523	11.5
97.10159	16.1
99.04448	1.2
99.08075	1.2
103.05460	1.4
105.04523	1.3
105.07027	32.5
107.04952	12.7
107.08587	29.2
109.02899	2.4
109.06517	7.1
109.10158	13.8
111.04404	1.0
111.06583	0.8
111.08088	3.8
115.05467	2.5
117.07002	13.1
119.04882	1.5
119.08573	19.2
119.21176	0.9
121.06500	5.6
121.10154	11.0
122.07180	0.8
123.04420	1.7
123.08056	5.9
123.11720	2.5
125.09621	14.5
127.03909	2.4
128.06209	2.3
129.05469	1.0
129.06987	6.2
130.07770	1.8
131.08546	13.9
133.06503	4.6
133.10121	16.7
134.07256	1.4
135.08060	6.1
135.11678	8.3
136.06194	0.9
137.09627	3.3
139.11168	0.9
141.06993	1.7
142.07809	1.5
143.08548	5.4
143.10571	0.9
145.06480	2.7
145.10127	16.5
147.08031	8.0
147.11681	8.9
149.09616	10.9
149.13284	5.8
150.72644	0.8
151.11188	2.8
152.05675	3.1
153.09119	1.3
155.08563	1.8
157.10107	4.1
159.08070	1.0
159.11687	10.1
161.09621	3.5
161.13235	2.0
163.11189	5.8
165.09044	1.3
167.08583	1.1
169.10089	3.1
171.10289	1.8
171.11676	3.5
173.04518	1.7
173.09532	1.2
173.11827	1.6
173.13220	3.9
175.11218	2.4
177.12755	3.1
179.14346	1.3
183.11670	2.4
184.07358	2.3
185.13275	3.0
187.11179	2.1
187.13289	1.0
187.14845	2.1
189.11238	9.1
189.12758	1.9
193.12296	2.1
195.11931	0.9
195.13821	3.7
197.13252	2.9
205.12300	2.7
211.11047	0.9
219.13922	1.2
223.13254	17.1
227.12769	25.1
229.14432	1.5
229.19495	1.6
229.56830	0.8
233.15363	1.3
239.17960	2.8
243.13686	0.8
245.13840	1.5
247.20601	2.3
249.14902	2.7
253.14343	3.1
255.16026	2.7
257.19016	8.3
267.15964	2.9
269.17456	10.4
273.18491	16.5
275.20044	29.0
291.19528	100.0
292.19769	1.9
293.21118	2.0
309.20596	1.2
331.22723	2.6
347.22171	3.6
349.23715	26.7
365.23215	45.2
366.23508	1.0
367.24884	1.6
423.20358	1.1
461.28903	1.8
519.33307	4.1
535.32269	5.3
541.35004	3.6
543.36505	1.8
545.34601	9.4
559.36255	40.3
560.36395	2.3
611.42871	1.6
621.41345	3.4
639.42505	48.2
640.42853	3.5
657.43640	4.3
674.45813	1.1
692.45862	2.4
703.40790	1.2
707.43176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	4.3
56.96568	1.9
59.06116	7.9
60.04516	2.8
71.35506	1.7
71.35861	1.4
77.44117	0.9
83.01524	2.0
84.04514	1.3
90.05800	1.0
99.33547	1.3
100.02512	1.0
101.00874	14.0
101.02556	10.2
101.07135	1.5
102.02242	3.8
104.75716	1.1
118.03535	1.7
119.01920	100.0
119.03622	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	1014.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83111	1.0
71.04989	1.0
72.08124	0.4
73.02903	0.8
74.00654	0.5
76.02220	35.9
76.03980	2.1
79.05488	7.7
80.05024	0.8
81.03409	43.3
81.07051	6.9
83.04977	2.5
83.06104	0.6
83.08611	9.2
84.04494	10.5
84.08138	0.7
85.02885	2.8
85.04021	0.9
85.06557	0.4
86.99018	1.6
88.02214	0.8
91.03986	0.4
91.05473	9.9
92.01705	0.5
93.07030	7.7
95.04957	12.7
95.05563	0.7
95.08594	2.9
96.04486	0.6
97.01134	0.4
97.02889	4.2
97.06533	1.2
97.10150	1.8
98.06026	0.4
103.05461	1.1
105.07021	7.9
106.04186	0.3
107.04948	4.4
107.08566	2.7
108.50793	0.3
109.02870	0.5
109.06511	2.9
109.10128	1.1
110.06051	0.5
111.04446	1.3
111.08080	3.4
114.03772	0.7
115.05437	1.0
116.01667	12.3
117.07030	1.4
119.04945	1.0
119.08568	7.7
120.08025	0.4
121.06487	2.9
121.10148	4.4
123.04408	0.9
123.08032	0.8
123.11624	0.4
124.02234	0.3
124.03964	0.5
125.09641	1.2
126.05522	0.5
127.03922	0.5
129.07002	5.5
130.04993	7.3
131.04547	0.6
131.08563	5.1
133.06497	2.0
133.10115	2.8
135.04449	0.4
135.08002	0.8
135.11642	0.6
137.05983	2.3
137.09587	0.8
138.05499	0.5
140.43201	0.3
141.04774	0.5
142.03212	5.8
142.07770	1.2
143.08533	0.8
144.01131	7.0
145.02858	1.1
145.06032	1.6
145.10101	1.6
147.04367	1.8
147.08029	2.2
147.11670	3.9
149.09592	3.2
155.08598	0.4
155.90129	0.3
157.06540	0.5
157.10100	5.6
159.07925	0.4
159.11687	0.7
161.05960	0.8
161.09650	0.7
162.02191	22.6
162.07634	3.2
163.07623	0.4
163.11168	0.9
165.07053	0.4
165.12753	1.3
167.07066	1.2
167.10709	0.5
170.02684	2.6
173.09750	0.5
173.11636	0.4
175.11179	5.5
177.03279	2.2
177.05466	3.1
177.12714	0.4
178.05916	0.3
179.04836	39.6
181.04837	0.6
181.10173	0.5
184.07426	0.4
185.03790	0.5
185.13301	0.5
187.05348	1.2
187.10872	0.4
189.03435	0.5
189.11234	0.5
189.12862	0.5
191.07033	1.1
191.08739	0.3
193.12228	16.7
199.07701	0.3
205.12164	0.5
207.06509	0.7
211.13321	1.5
215.04826	1.2
219.10063	0.5
219.13829	0.6
223.13165	0.6
227.12675	0.4
231.04297	0.5
233.05899	11.4
233.15257	0.5
245.05925	2.1
249.14847	0.9
250.12558	0.4
267.15887	53.1
268.16183	0.8
288.06506	0.3
289.04724	0.3
290.08121	1.0
291.06458	1.2
294.11810	0.9
294.16809	0.5
301.14307	0.4
303.04913	0.3
306.07639	0.6
308.09073	100.0
309.09332	1.3
309.16931	0.6
367.22665	1.0
385.23746	2.9
400.12476	0.4
403.24759	0.8
441.26599	0.6
452.13162	0.6
459.27359	25.0
460.27756	1.0
461.27655	0.4
470.14270	1.1
477.28406	5.7
491.30225	0.7
501.28418	1.2
555.29907	0.4
561.28302	0.4
567.29297	1.0
637.30914	0.7
690.32617	1.0
766.35419	1.4
784.36816	3.7
946.41370	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5548
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01341	0.4
71.58244	0.5
71.58649	0.5
73.02928	1.7
79.05498	2.5
81.03426	1.6
81.07055	3.4
83.08651	0.5
85.02905	4.5
91.03950	2.5
91.05477	2.5
93.07028	3.4
95.04984	0.7
95.08639	1.4
97.02888	3.1
97.06553	0.8
99.04485	0.6
101.02413	1.5
103.03946	0.5
105.07021	2.1
107.08623	1.5
109.10164	0.8
110.10523	0.4
119.08622	1.8
121.10184	0.5
127.03957	1.6
129.07126	0.4
131.08624	1.4
133.10155	1.0
135.11720	0.5
143.08617	0.5
145.10144	0.6
147.11729	0.5
153.76134	0.5
161.13368	0.5
165.09093	0.5
181.11864	0.4
185.04266	0.8
201.03847	0.8
203.05365	0.9
219.13843	0.5
243.08589	1.9
267.14484	0.5
301.09015	0.8
333.20523	1.3
347.09464	2.7
363.09125	0.8
405.13620	5.2
453.20941	1.0
463.14511	1.4
465.21384	0.5
477.15918	0.5
535.28705	4.0
551.28210	3.0
574.90063	0.5
605.49829	0.6
615.26782	0.8
619.93951	0.6
697.34009	4.4
713.33997	3.3
785.35742	0.8
827.39850	0.5
845.50287	1.0
850.22906	0.5
1007.55444	100.0
1008.55524	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	1002.5992
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84309	11.5
71.04981	7.9
72.33345	1.9
73.02935	3.4
77.03927	3.0
79.05490	83.3
81.03415	14.9
81.07053	96.3
83.05006	10.9
83.05398	1.9
83.08615	25.2
85.02898	15.4
85.06525	6.7
91.03940	4.3
91.05478	100.0
92.05798	2.4
93.07041	89.1
93.07630	4.9
95.04961	19.7
95.08601	62.1
97.02879	9.9
97.06509	14.7
97.10155	15.5
99.04443	3.3
99.08083	3.8
103.05463	4.0
105.04493	2.3
105.07025	90.0
106.09966	2.1
107.04930	7.2
107.08588	55.2
109.06519	9.5
109.10150	26.9
111.08054	8.7
111.53822	2.2
115.05439	6.0
115.08519	1.9
117.07010	38.8
119.08578	68.9
121.06495	6.9
121.10146	30.0
123.08046	7.2
123.11687	10.4
125.09611	5.7
127.03902	5.1
128.06192	6.8
129.06985	25.8
130.07834	2.7
131.08553	53.0
133.06572	2.2
133.10133	48.3
135.08031	4.0
135.11684	31.0
136.06155	3.7
137.09601	3.6
141.06984	11.4
142.07751	6.3
143.08559	26.1
145.05003	2.3
145.06390	2.8
145.10107	42.0
147.07990	4.8
147.11685	38.7
149.09602	14.5
149.13269	15.2
151.11157	3.9
153.06946	3.3
153.09048	2.1
154.07782	2.5
155.08560	15.9
157.10117	19.2
159.08040	2.8
159.11696	34.0
161.13280	19.9
163.11156	8.9
165.12711	5.8
167.08595	6.1
168.09306	2.1
169.10100	13.6
171.10246	3.6
171.11647	24.7
173.04478	3.4
173.11865	4.4
173.13239	19.3
175.11217	3.1
175.14861	10.1
177.12730	4.9
179.08606	2.8
179.14388	2.5
181.10088	9.9
183.11714	16.7
183.31610	2.0
184.07249	2.9
185.13280	15.5
187.11211	4.8
187.14809	10.0
189.11168	3.9
189.12700	3.8
193.10135	5.9
195.11659	9.3
195.13669	2.5
197.13213	10.5
199.14839	9.9
201.16377	4.8
207.11604	3.8
209.13217	6.5
211.14818	10.5
213.16438	3.7
217.15907	2.1
223.14825	4.4
227.12733	8.2
229.14287	5.4
229.19623	3.0
231.17505	3.0
233.13275	3.0
237.16373	3.7
239.17986	3.3
241.19554	20.2
251.17883	4.4
253.14087	3.2
255.15932	11.9
257.19034	7.6
259.20578	50.2
265.19519	2.9
267.15869	2.6
269.17435	15.4
273.18381	3.3
275.20050	29.9
276.20416	2.3
277.21628	3.3
293.21378	2.8
297.21988	3.8
299.23563	2.8
301.21548	3.6
309.22034	2.8
313.21710	3.4
315.23172	11.2
315.87952	2.1
323.23608	3.6
325.21579	3.6
331.22861	3.9
333.24246	53.7
335.25775	4.4
349.23889	21.4
365.24411	2.8
367.22546	2.0
367.25467	2.9
382.36258	2.3
421.30740	5.8
435.32437	6.3
439.32126	4.5
453.33997	3.1
489.35696	4.6
495.34686	3.7
509.36401	4.9
513.35773	33.0
514.35681	3.0
515.38300	10.2
517.38507	4.1
525.35431	4.7
527.30060	3.7
527.37360	59.3
528.37335	3.8
533.39392	7.4
543.36920	4.2
545.38293	8.6
551.40668	6.1
589.41937	2.6
597.44739	4.0
607.43420	57.2
625.44562	67.7
635.39288	3.2
653.40253	2.6
671.40137	3.2
689.42108	4.9
769.48602	5.0
787.48322	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	1002.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04990	6.3
73.02912	4.1
79.05492	88.7
80.64092	2.2
81.03429	13.7
81.07056	100.0
83.04984	9.1
83.08609	20.9
83.50583	2.2
85.02906	14.2
85.06547	7.0
86.09695	6.7
91.03960	6.1
91.05477	98.0
91.60609	2.7
93.07044	95.8
95.04976	20.9
95.08605	63.9
97.02879	11.4
97.06538	16.8
97.10154	18.4
99.08083	7.0
103.05435	3.8
103.83008	2.9
105.07026	98.4
106.58440	3.0
107.04964	9.1
107.08585	63.1
109.02879	4.8
109.06509	8.6
109.10155	29.6
111.08091	9.5
113.09617	3.2
115.05441	6.5
117.07011	41.5
119.08583	71.0
119.21837	2.3
121.06539	3.9
121.10136	37.6
123.08062	6.5
123.11698	7.9
125.00014	2.8
125.09650	15.2
127.03886	5.6
128.06250	5.8
129.07016	20.4
131.08582	49.6
133.10124	58.2
135.08054	7.7
135.11702	25.4
137.09636	4.0
139.11183	3.5
141.06998	7.1
142.07767	6.0
143.08572	29.1
145.04933	4.1
145.06506	2.6
145.10118	47.6
147.11690	46.7
149.09586	14.0
149.13263	15.1
151.11192	4.7
155.08543	12.1
157.10132	29.9
159.11681	30.3
161.13248	26.3
163.11203	14.9
163.14801	3.5
167.08530	9.4
169.10152	23.0
171.10370	5.2
171.11652	23.9
173.11879	3.7
173.13239	19.0
175.11252	6.2
175.14815	9.0
177.12808	5.5
179.14323	3.7
181.10100	8.1
181.12144	2.4
183.11659	14.3
184.07332	11.1
185.09682	2.9
185.13249	26.3
187.14854	11.6
189.11243	5.5
189.12798	5.1
189.16330	4.1
193.10268	3.3
195.11725	9.6
195.13780	2.8
197.13217	13.5
199.14857	12.2
201.16472	5.6
207.11676	5.6
209.13261	7.7
211.14830	11.2
213.12709	3.4
213.16458	4.7
221.13425	4.2
223.14909	4.7
225.16385	4.4
227.12769	8.9
227.18030	3.3
229.14345	7.7
237.16391	4.5
239.17894	8.6
241.19579	21.5
243.21228	2.9
253.14288	3.2
255.15860	6.5
257.19009	7.9
259.20584	52.1
267.15872	4.3
269.17386	16.1
275.20065	36.4
277.21671	4.4
297.22006	3.2
315.23120	8.5
333.24231	55.1
335.26071	5.4
349.23901	29.9
365.28421	6.2
367.25107	6.1
417.31290	3.8
421.31274	5.6
435.32495	2.8
439.32111	3.9
445.30594	3.6
467.30551	2.9
487.34015	3.0
495.34985	3.9
509.36725	3.3
513.35803	45.4
514.36292	3.1
515.38593	10.2
527.37354	36.2
531.36786	4.3
533.39703	5.9
545.37720	4.6
551.40588	3.0
567.40466	3.2
607.43536	75.6
625.34460	4.6
625.44580	77.6
670.94208	3.5
747.47766	3.5
751.47058	3.2
769.47705	4.5
787.48230	3.0
909.30078	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	1000.5721
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53825	0.9
69.54252	0.2
71.04988	0.3
71.08630	1.1
73.02896	0.5
79.05487	1.8
81.03408	4.6
81.07047	2.3
83.04984	0.3
83.08613	1.8
85.02893	1.5
85.10176	0.6
91.03931	0.7
91.05474	2.5
93.07031	1.8
94.04016	0.1
95.04958	1.4
95.08600	1.7
97.02878	1.6
97.10145	0.6
99.04451	0.2
105.07018	2.2
107.04932	0.5
107.08598	0.8
109.02898	0.2
109.06544	0.3
109.10155	1.0
111.04441	0.2
111.08075	0.5
111.57104	0.1
115.05501	0.2
117.07013	0.7
119.03524	1.0
119.07784	0.2
119.08576	1.8
121.06499	0.3
121.10127	0.7
123.08046	0.2
123.11683	0.4
125.09614	0.4
127.03874	0.3
129.06989	0.7
131.08562	1.1
133.06450	0.3
133.10138	1.1
135.11681	0.4
136.06174	100.0
137.04581	1.5
137.06502	0.6
137.09680	0.2
142.07732	0.2
143.08519	0.4
145.05048	0.1
145.10132	0.9
147.08047	0.4
147.11658	0.9
149.09604	0.4
149.13222	0.2
152.05667	0.4
155.08510	0.2
157.10112	0.8
159.11713	0.4
161.13309	0.4
171.11758	0.2
173.13316	0.2
175.11176	0.5
175.14818	0.2
177.13002	0.1
178.07233	0.4
183.11719	0.2
189.11186	0.2
193.12219	1.6
197.13284	0.2
211.13124	0.2
211.14961	0.2
220.22180	0.1
223.13312	0.5
227.12700	0.3
241.19609	0.3
253.14230	0.2
259.20480	0.7
259.41284	0.1
267.15900	5.6
273.18509	0.3
275.20044	0.3
291.19540	2.3
298.11472	0.6
313.27338	5.6
315.23154	0.2
333.24182	0.8
365.23138	0.8
505.38809	4.3
506.39276	0.2
523.39801	0.2
525.35876	0.3
531.38727	0.1
543.37158	0.3
605.42194	0.2
623.42975	1.6
641.44293	0.2
658.45490	1.5
676.46301	3.9
677.46887	0.3
820.50403	2.0
838.51715	2.7
982.55469	1.6
1000.56506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06585	0.2
71.04990	0.5
71.08627	2.0
73.02911	0.8
77.93997	0.2
78.61900	0.2
79.05489	4.1
81.03416	7.0
81.06579	0.4
81.07055	6.5
83.04967	0.9
83.08616	3.3
85.02902	3.2
85.06530	0.3
85.10192	1.4
91.03965	1.2
91.05481	5.7
93.07041	3.5
94.07307	0.2
95.01328	0.6
95.04962	2.9
95.08603	4.0
97.02883	2.4
97.06531	2.3
97.10171	1.1
99.04449	0.4
99.08107	0.3
103.05412	0.4
105.07027	6.2
106.07286	0.2
107.04964	1.6
107.08598	2.7
109.02885	0.4
109.06509	0.7
109.10151	2.2
111.04433	0.3
111.08083	0.7
113.09672	0.2
117.07047	1.4
119.03500	1.1
119.08572	3.9
119.09361	0.3
121.06520	0.4
121.10124	1.4
122.25996	0.2
123.04428	0.2
123.08062	0.5
123.11674	0.5
125.09650	0.5
127.03917	0.6
129.07011	1.4
131.08551	2.4
133.06497	0.4
133.10121	3.3
135.08064	0.5
135.11682	0.8
136.06183	100.0
137.04587	1.6
137.06528	0.6
137.09636	0.4
137.13054	0.2
142.07748	0.3
143.08536	0.4
145.04942	0.3
145.10153	1.3
147.08052	0.6
147.11690	2.1
148.06255	0.2
149.09599	1.3
149.13284	0.5
151.11186	0.3
152.05728	0.4
155.08525	0.3
157.10136	1.3
159.11722	1.1
161.04613	0.3
161.13315	0.5
163.11163	0.6
165.09103	0.3
165.12733	0.3
171.11610	0.3
173.13287	0.5
175.11157	1.2
175.14842	0.2
177.12569	0.3
178.07246	0.8
179.14346	0.9
183.11714	0.3
184.07384	0.5
185.13374	0.2
187.11119	0.2
193.12227	2.6
211.13307	0.6
219.17528	0.3
223.81827	0.2
227.12762	0.6
229.14415	0.3
229.78770	0.2
238.24400	0.2
239.18123	0.3
239.23660	0.3
249.14856	0.2
257.19012	0.9
267.15927	6.0
269.17422	0.3
275.20050	5.7
276.20526	0.2
279.26425	0.2
293.21179	0.3
300.18250	0.2
303.49051	0.2
313.27353	6.1
333.24429	0.2
346.18686	1.1
349.23715	4.3
357.38699	0.2
359.27777	0.2
407.38492	0.2
415.16910	0.2
417.00909	0.2
420.22372	0.5
503.33575	0.4
505.38849	3.5
529.35168	0.6
543.36761	2.4
605.42157	0.3
623.43085	7.1
624.43250	0.4
641.44122	0.7
658.45471	3.9
666.63159	0.2
676.46417	13.7
677.46741	0.9
687.40381	0.4
820.50702	4.5
821.50928	0.3
838.51648	11.1
839.51880	0.6
982.56360	1.7
1000.38647	0.2
1000.57129	3.3
1001.55688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5705
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	0.1
71.04971	0.2
71.08627	1.1
73.02913	0.5
76.05640	0.1
79.05489	1.4
81.03416	4.6
81.07054	2.0
83.04960	0.3
83.08610	1.5
85.02422	0.1
85.02901	1.6
85.06519	0.1
85.10181	0.8
91.03949	0.8
91.05479	1.3
92.02474	0.3
93.07030	0.9
94.04078	0.1
95.04967	1.6
95.08604	1.5
97.02885	1.5
97.06538	0.1
97.10180	0.5
98.20564	0.1
99.04449	0.1
101.02325	0.1
105.07017	1.2
107.04958	0.4
107.08605	0.6
109.02893	0.2
109.05118	0.1
109.06508	0.3
109.10150	0.7
111.04444	0.2
111.08066	0.4
115.03969	0.1
115.05451	0.1
117.07017	0.3
119.03541	1.1
119.08588	1.1
121.06496	0.2
121.10151	0.4
123.08120	0.1
123.11684	0.3
125.09628	0.2
127.03920	0.3
128.06223	0.1
129.07016	0.6
131.08556	0.7
133.06517	0.2
133.10110	0.5
135.11710	0.2
136.06181	100.0
137.04594	1.7
137.06659	0.7
137.09573	0.2
142.07768	0.2
143.08511	0.1
145.04985	0.2
145.10138	0.3
147.08044	0.3
147.11687	0.7
149.09634	0.3
151.11301	0.1
152.05649	0.3
157.10123	0.7
159.11731	0.1
161.04401	0.1
161.13223	0.2
163.11263	0.1
175.11166	0.5
178.07272	0.3
190.96320	0.1
193.12225	1.6
211.13243	0.2
223.13147	0.2
227.12773	0.1
229.27917	0.1
239.23761	0.2
241.19551	0.2
242.58867	0.1
249.15016	0.1
257.24759	0.2
259.20636	0.3
262.09384	0.1
267.15912	5.3
268.16251	0.1
280.10315	0.1
289.97162	0.1
291.19504	1.1
298.11423	0.6
309.16934	0.1
313.27353	5.9
314.27844	0.1
331.68356	0.1
333.24359	0.4
346.18716	0.2
349.23843	0.1
365.23328	0.5
505.38834	3.6
506.39261	0.2
507.41953	0.1
523.39886	0.2
543.36743	0.2
605.42236	0.2
623.42926	0.7
658.45447	1.4
676.46436	3.8
677.46106	0.2
820.50366	1.7
821.49805	0.1
838.51624	2.8
839.51410	0.2
982.55896	1.1
983.55383	0.1
1000.56677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5713
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01357	0.2
71.04988	0.3
71.08631	1.6
73.02911	0.7
79.05491	3.1
81.03416	7.0
81.07054	4.6
83.04975	0.7
83.08616	2.3
84.05287	0.2
85.02908	2.3
85.10178	1.3
91.03971	1.0
91.05479	4.3
92.02470	0.3
93.07045	2.8
95.01346	0.4
95.04961	2.8
95.08606	3.3
97.02889	2.2
97.06528	1.4
97.10149	1.0
99.04444	0.2
105.07036	4.5
107.04957	1.0
107.08586	1.7
109.06511	0.7
109.10171	1.5
111.04402	0.2
111.08057	0.7
111.11674	0.2
115.05452	0.3
117.07033	0.9
119.03539	0.9
119.08579	2.8
121.06495	0.5
121.10152	0.9
123.08031	0.5
123.11717	0.5
125.09617	0.4
127.03879	0.6
129.06992	1.3
131.08574	1.9
133.06493	0.4
133.10133	2.3
135.07999	0.2
135.11681	0.3
136.06183	100.0
137.04582	1.6
137.06541	0.5
137.09607	0.3
142.07745	0.2
143.08554	0.4
145.04942	0.3
145.10106	1.0
147.08063	0.4
147.11659	1.5
149.09639	1.1
152.05647	0.4
157.10132	1.2
159.11636	0.8
161.04533	0.2
161.13255	0.4
163.11165	0.5
165.12709	0.3
171.11746	0.3
173.13289	0.4
174.07803	0.3
175.11169	1.0
178.07249	0.6
179.14322	0.5
183.11560	0.2
184.07437	0.3
193.12245	2.5
197.13239	0.2
202.07364	0.2
211.13336	0.3
214.07138	0.2
227.12811	0.6
239.23636	0.3
249.14900	0.2
257.19034	0.5
257.24844	0.3
267.15924	5.6
269.17245	0.3
275.20059	4.0
293.21109	0.5
298.11600	0.4
313.27353	5.7
328.17627	0.2
331.22620	0.3
346.18671	1.0
349.23712	2.8
379.52933	0.2
402.21512	0.2
412.07828	0.2
420.22345	0.4
503.33615	0.4
505.38855	3.1
519.33545	0.3
523.39734	0.2
527.36938	0.2
529.35126	0.4
543.36951	1.3
623.42993	4.4
624.43250	0.4
641.43738	0.3
658.45355	4.1
667.45313	0.2
676.46454	15.1
677.46558	0.9
699.86505	0.2
718.47253	0.3
820.50818	4.1
838.51685	11.1
839.51678	0.5
982.55804	2.1
983.55475	0.3
1000.56964	3.1
1001.57391	0.3
END